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 396 GLN : amide:sc= -0.237 X(o=-0.62,f=-0.45) USER MOD Set 1.2: A 415 HIS : no HD1:sc= -0.386 K(o=-0.62,f=-3.5!) USER MOD Set 2.1: A 391 THR OG1 : rot -70:sc= -0.0127 USER MOD Set 2.2: A 393 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.6) USER MOD Set 3.1: A 378 ASN : amide:sc= -5.41! K(o=-4.3!,f=-2.4) USER MOD Set 3.2: A 383 TYR OH : rot 113:sc= 1.13 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -125:sc= -0.454 (180deg=-0.976) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot -170:sc= -0.612 USER MOD Single : A 405 ASN : amide:sc= -4.38! K(o=-4.4!,f=-0.94) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -16.9! C(o=-17!,f=-8.1!) USER MOD Single : A 430 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-5.5!) USER MOD Single : A 433 SER OG : rot -10:sc= 0.919 USER MOD Single : A 435 ASN : amide:sc= -0.6 K(o=-0.6,f=-3.3) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -5.749 -7.135 5.281 1.00 1.42 N ATOM 158 CA ILE A 373 -5.982 -5.706 5.448 1.00 1.22 C ATOM 159 C ILE A 373 -7.433 -5.412 5.817 1.00 1.13 C ATOM 160 O ILE A 373 -8.312 -5.392 4.955 1.00 1.20 O ATOM 161 CB ILE A 373 -5.624 -4.931 4.166 1.00 1.16 C ATOM 162 CG1 ILE A 373 -4.128 -5.047 3.870 1.00 1.40 C ATOM 163 CG2 ILE A 373 -6.038 -3.469 4.287 1.00 1.26 C ATOM 164 CD1 ILE A 373 -3.699 -4.319 2.612 1.00 1.48 C ATOM 0 HA ILE A 373 -5.337 -5.377 6.263 1.00 1.22 H new ATOM 0 HB ILE A 373 -6.173 -5.371 3.334 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.567 -4.652 4.717 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.865 -6.101 3.777 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.776 -2.940 3.371 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -7.115 -3.408 4.446 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.520 -3.013 5.130 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -2.626 -4.445 2.466 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -4.232 -4.729 1.754 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.929 -3.258 2.709 1.00 1.48 H new ATOM 176 N ASP A 374 -7.673 -5.165 7.099 1.00 1.16 N ATOM 177 CA ASP A 374 -8.993 -4.852 7.582 1.00 1.17 C ATOM 178 C ASP A 374 -9.230 -3.348 7.513 1.00 1.03 C ATOM 179 O ASP A 374 -8.401 -2.564 7.975 1.00 1.25 O ATOM 180 CB ASP A 374 -9.117 -5.351 9.014 1.00 1.40 C ATOM 181 CG ASP A 374 -9.400 -6.837 9.092 1.00 1.77 C ATOM 182 OD1 ASP A 374 -10.442 -7.272 8.557 1.00 2.04 O ATOM 183 OD2 ASP A 374 -8.580 -7.568 9.687 1.00 2.17 O ATOM 0 H ASP A 374 -6.955 -5.178 7.823 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.745 -5.340 6.962 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -8.195 -5.132 9.552 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -9.916 -4.806 9.517 1.00 1.40 H new ATOM 188 N ILE A 375 -10.349 -2.945 6.924 1.00 0.84 N ATOM 189 CA ILE A 375 -10.662 -1.527 6.787 1.00 0.76 C ATOM 190 C ILE A 375 -11.974 -1.163 7.465 1.00 0.76 C ATOM 191 O ILE A 375 -12.072 -0.133 8.127 1.00 0.79 O ATOM 192 CB ILE A 375 -10.738 -1.110 5.308 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.398 -1.354 4.614 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.145 0.354 5.203 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.451 -1.166 3.113 1.00 0.92 C ATOM 0 H ILE A 375 -11.051 -3.575 6.536 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.850 -0.990 7.278 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.492 -1.717 4.806 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.653 -0.676 5.031 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.064 -2.368 4.833 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.197 0.643 4.153 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.121 0.494 5.667 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.408 0.974 5.714 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.465 -1.355 2.688 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.171 -1.863 2.684 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -9.754 -0.144 2.885 1.00 0.92 H new ATOM 207 N SER A 376 -12.983 -2.003 7.280 1.00 0.79 N ATOM 208 CA SER A 376 -14.298 -1.758 7.864 1.00 0.87 C ATOM 209 C SER A 376 -14.187 -1.415 9.342 1.00 0.96 C ATOM 210 O SER A 376 -15.006 -0.672 9.885 1.00 1.54 O ATOM 211 CB SER A 376 -15.203 -2.976 7.670 1.00 0.95 C ATOM 212 OG SER A 376 -16.475 -2.764 8.254 1.00 1.71 O ATOM 0 H SER A 376 -12.918 -2.860 6.731 1.00 0.79 H new ATOM 0 HA SER A 376 -14.740 -0.904 7.350 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.318 -3.182 6.606 1.00 0.95 H new ATOM 0 HB3 SER A 376 -14.736 -3.854 8.116 1.00 0.95 H new ATOM 0 HG SER A 376 -17.035 -3.556 8.115 1.00 1.71 H new ATOM 218 N GLU A 377 -13.171 -1.964 9.984 1.00 0.93 N ATOM 219 CA GLU A 377 -12.942 -1.726 11.403 1.00 1.03 C ATOM 220 C GLU A 377 -12.262 -0.381 11.650 1.00 0.87 C ATOM 221 O GLU A 377 -12.550 0.293 12.640 1.00 0.93 O ATOM 222 CB GLU A 377 -12.102 -2.854 12.006 1.00 1.18 C ATOM 223 CG GLU A 377 -10.736 -3.014 11.359 1.00 1.28 C ATOM 224 CD GLU A 377 -9.919 -4.121 11.996 1.00 1.54 C ATOM 225 OE1 GLU A 377 -10.375 -5.283 11.975 1.00 1.92 O ATOM 226 OE2 GLU A 377 -8.822 -3.825 12.514 1.00 1.90 O ATOM 0 H GLU A 377 -12.487 -2.581 9.545 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.917 -1.703 11.890 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.969 -2.666 13.071 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -12.650 -3.792 11.913 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.863 -3.225 10.297 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -10.189 -2.074 11.434 1.00 1.28 H new ATOM 233 N ASN A 378 -11.354 0.001 10.758 1.00 0.71 N ATOM 234 CA ASN A 378 -10.631 1.262 10.898 1.00 0.61 C ATOM 235 C ASN A 378 -10.324 1.883 9.538 1.00 0.58 C ATOM 236 O ASN A 378 -9.175 1.904 9.095 1.00 0.59 O ATOM 237 CB ASN A 378 -9.337 1.043 11.689 1.00 0.62 C ATOM 238 CG ASN A 378 -8.489 -0.091 11.137 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.588 -0.587 11.812 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.755 -0.493 9.898 1.00 2.14 N ATOM 0 H ASN A 378 -11.101 -0.542 9.932 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.269 1.957 11.444 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.753 1.963 11.682 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.585 0.831 12.729 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -8.203 -1.239 9.474 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.511 -0.056 9.371 1.00 2.14 H new ATOM 247 N PRO A 379 -11.351 2.413 8.861 1.00 0.62 N ATOM 248 CA PRO A 379 -11.177 3.044 7.555 1.00 0.65 C ATOM 249 C PRO A 379 -10.291 4.277 7.651 1.00 0.61 C ATOM 250 O PRO A 379 -9.490 4.557 6.759 1.00 0.62 O ATOM 251 CB PRO A 379 -12.599 3.420 7.131 1.00 0.77 C ATOM 252 CG PRO A 379 -13.404 3.427 8.387 1.00 0.85 C ATOM 253 CD PRO A 379 -12.746 2.457 9.327 1.00 0.75 C ATOM 0 HA PRO A 379 -10.686 2.386 6.838 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.618 4.397 6.648 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.997 2.702 6.414 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -13.435 4.426 8.821 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -14.435 3.134 8.188 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.812 2.794 10.361 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -13.215 1.474 9.281 1.00 0.75 H new ATOM 261 N ASP A 380 -10.437 5.001 8.755 1.00 0.62 N ATOM 262 CA ASP A 380 -9.651 6.202 9.003 1.00 0.64 C ATOM 263 C ASP A 380 -8.169 5.862 9.140 1.00 0.55 C ATOM 264 O ASP A 380 -7.304 6.671 8.800 1.00 0.55 O ATOM 265 CB ASP A 380 -10.142 6.893 10.275 1.00 0.75 C ATOM 266 CG ASP A 380 -11.590 7.333 10.174 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.902 8.146 9.278 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.410 6.865 10.990 1.00 1.20 O ATOM 0 H ASP A 380 -11.098 4.774 9.498 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.775 6.874 8.154 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.030 6.214 11.120 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.515 7.761 10.478 1.00 0.75 H new ATOM 273 N LYS A 381 -7.888 4.666 9.653 1.00 0.51 N ATOM 274 CA LYS A 381 -6.515 4.213 9.853 1.00 0.47 C ATOM 275 C LYS A 381 -5.671 4.418 8.596 1.00 0.39 C ATOM 276 O LYS A 381 -6.073 4.044 7.495 1.00 0.37 O ATOM 277 CB LYS A 381 -6.495 2.742 10.263 1.00 0.50 C ATOM 278 CG LYS A 381 -5.095 2.199 10.472 1.00 0.52 C ATOM 279 CD LYS A 381 -5.114 0.798 11.049 1.00 0.59 C ATOM 280 CE LYS A 381 -3.708 0.247 11.207 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.020 0.100 9.894 1.00 1.66 N ATOM 0 H LYS A 381 -8.597 3.991 9.939 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.081 4.813 10.653 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.066 2.620 11.183 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.996 2.151 9.496 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.562 2.193 9.521 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.545 2.860 11.142 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.614 0.808 12.018 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.693 0.142 10.398 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.128 0.910 11.849 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.751 -0.722 11.705 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.688 -0.880 9.784 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.684 0.330 9.127 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -2.207 0.747 9.854 1.00 1.66 H new ATOM 295 N ILE A 382 -4.499 5.022 8.778 1.00 0.40 N ATOM 296 CA ILE A 382 -3.586 5.289 7.671 1.00 0.35 C ATOM 297 C ILE A 382 -2.642 4.109 7.439 1.00 0.34 C ATOM 298 O ILE A 382 -2.087 3.555 8.388 1.00 0.41 O ATOM 299 CB ILE A 382 -2.749 6.557 7.939 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.653 7.723 8.355 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.932 6.927 6.708 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.692 8.095 7.319 1.00 0.37 C ATOM 0 H ILE A 382 -4.159 5.337 9.687 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.196 5.441 6.780 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.062 6.347 8.759 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.159 7.464 9.285 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.032 8.595 8.562 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.348 7.824 6.915 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.260 6.106 6.457 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.602 7.116 5.870 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.291 8.927 7.688 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.195 8.387 6.394 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.339 7.239 7.128 1.00 0.37 H new ATOM 314 N TYR A 383 -2.457 3.735 6.175 1.00 0.30 N ATOM 315 CA TYR A 383 -1.571 2.627 5.829 1.00 0.30 C ATOM 316 C TYR A 383 -0.411 3.113 4.969 1.00 0.28 C ATOM 317 O TYR A 383 -0.579 3.999 4.136 1.00 0.25 O ATOM 318 CB TYR A 383 -2.337 1.532 5.081 1.00 0.32 C ATOM 319 CG TYR A 383 -3.437 0.884 5.893 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.531 1.624 6.324 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.381 -0.461 6.233 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.537 1.041 7.070 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.382 -1.051 6.978 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.458 -0.317 7.375 1.00 0.52 C ATOM 325 OH TYR A 383 -6.456 -0.882 8.134 1.00 0.63 O ATOM 0 H TYR A 383 -2.907 4.181 5.376 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.178 2.214 6.758 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.771 1.960 4.177 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.633 0.763 4.764 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.596 2.672 6.072 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.540 -1.056 5.909 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.375 1.630 7.413 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.312 -2.095 7.246 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.962 -1.519 7.587 1.00 0.63 H new ATOM 335 N PHE A 384 0.765 2.531 5.173 1.00 0.31 N ATOM 336 CA PHE A 384 1.946 2.917 4.405 1.00 0.30 C ATOM 337 C PHE A 384 2.063 2.095 3.126 1.00 0.28 C ATOM 338 O PHE A 384 1.683 0.925 3.091 1.00 0.33 O ATOM 339 CB PHE A 384 3.219 2.760 5.238 1.00 0.40 C ATOM 340 CG PHE A 384 3.275 3.642 6.458 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.291 3.563 7.431 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.309 4.550 6.632 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.336 4.371 8.551 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.358 5.361 7.751 1.00 0.64 C ATOM 345 CZ PHE A 384 3.384 5.272 8.709 1.00 0.74 C ATOM 0 H PHE A 384 0.927 1.794 5.859 1.00 0.31 H new ATOM 0 HA PHE A 384 1.829 3.967 4.137 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.308 1.720 5.552 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.081 2.977 4.607 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.479 2.861 7.312 1.00 0.83 H new ATOM 0 HD2 PHE A 384 5.085 4.625 5.885 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.561 4.303 9.300 1.00 0.96 H new ATOM 0 HE2 PHE A 384 5.167 6.067 7.870 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.429 5.900 9.586 1.00 0.74 H new ATOM 355 N ILE A 385 2.595 2.714 2.074 1.00 0.26 N ATOM 356 CA ILE A 385 2.766 2.036 0.794 1.00 0.27 C ATOM 357 C ILE A 385 4.170 2.262 0.247 1.00 0.24 C ATOM 358 O ILE A 385 4.655 3.393 0.208 1.00 0.30 O ATOM 359 CB ILE A 385 1.750 2.515 -0.264 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.327 2.526 0.298 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.824 1.631 -1.500 1.00 0.49 C ATOM 362 CD1 ILE A 385 0.043 3.700 1.207 1.00 0.32 C ATOM 0 H ILE A 385 2.914 3.683 2.084 1.00 0.26 H new ATOM 0 HA ILE A 385 2.599 0.976 0.986 1.00 0.27 H new ATOM 0 HB ILE A 385 2.008 3.537 -0.542 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.381 2.539 -0.530 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.156 1.601 0.849 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.103 1.979 -2.240 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.828 1.679 -1.922 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.595 0.601 -1.225 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -0.984 3.641 1.567 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.727 3.677 2.055 1.00 0.32 H new ATOM 0 HD13 ILE A 385 0.181 4.630 0.655 1.00 0.32 H new ATOM 374 N ARG A 386 4.816 1.183 -0.175 1.00 0.29 N ATOM 375 CA ARG A 386 6.164 1.266 -0.720 1.00 0.30 C ATOM 376 C ARG A 386 6.138 1.612 -2.208 1.00 0.33 C ATOM 377 O ARG A 386 5.531 0.901 -3.008 1.00 0.42 O ATOM 378 CB ARG A 386 6.900 -0.059 -0.515 1.00 0.38 C ATOM 379 CG ARG A 386 8.308 -0.065 -1.092 1.00 0.50 C ATOM 380 CD ARG A 386 8.915 -1.461 -1.089 1.00 1.02 C ATOM 381 NE ARG A 386 10.345 -1.439 -1.402 1.00 1.40 N ATOM 382 CZ ARG A 386 10.853 -1.037 -2.567 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.055 -0.688 -3.569 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.168 -0.998 -2.736 1.00 2.39 N ATOM 0 H ARG A 386 4.428 0.240 -0.150 1.00 0.29 H new ATOM 0 HA ARG A 386 6.690 2.060 -0.190 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.952 -0.276 0.552 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.323 -0.861 -0.976 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.284 0.319 -2.112 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.941 0.608 -0.513 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.765 -1.919 -0.111 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.394 -2.084 -1.816 1.00 1.02 H new ATOM 0 HE ARG A 386 10.995 -1.752 -0.681 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.042 -0.726 -3.452 1.00 2.42 H new ATOM 0 HH12 ARG A 386 10.454 -0.382 -4.456 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.788 -1.275 -1.975 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.559 -0.691 -3.627 1.00 2.39 H new ATOM 398 N ARG A 387 6.818 2.696 -2.573 1.00 0.41 N ATOM 399 CA ARG A 387 6.888 3.117 -3.969 1.00 0.51 C ATOM 400 C ARG A 387 7.990 2.358 -4.700 1.00 0.49 C ATOM 401 O ARG A 387 8.819 1.701 -4.072 1.00 0.47 O ATOM 402 CB ARG A 387 7.134 4.623 -4.074 1.00 0.63 C ATOM 403 CG ARG A 387 5.980 5.472 -3.565 1.00 0.84 C ATOM 404 CD ARG A 387 6.223 6.949 -3.827 1.00 0.94 C ATOM 405 NE ARG A 387 6.367 7.236 -5.252 1.00 1.32 N ATOM 406 CZ ARG A 387 6.634 8.445 -5.739 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.801 9.473 -4.918 1.00 2.30 N ATOM 408 NH2 ARG A 387 6.740 8.623 -7.048 1.00 2.25 N ATOM 0 H ARG A 387 7.326 3.297 -1.924 1.00 0.41 H new ATOM 0 HA ARG A 387 5.930 2.890 -4.437 1.00 0.51 H new ATOM 0 HB2 ARG A 387 8.033 4.875 -3.512 1.00 0.63 H new ATOM 0 HB3 ARG A 387 7.328 4.878 -5.116 1.00 0.63 H new ATOM 0 HG2 ARG A 387 5.055 5.162 -4.051 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.849 5.307 -2.496 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.394 7.530 -3.422 1.00 0.94 H new ATOM 0 HD3 ARG A 387 7.123 7.267 -3.300 1.00 0.94 H new ATOM 0 HE ARG A 387 6.257 6.466 -5.911 1.00 1.32 H new ATOM 0 HH11 ARG A 387 6.725 9.338 -3.910 1.00 2.30 H new ATOM 0 HH12 ARG A 387 7.006 10.399 -5.295 1.00 2.30 H new ATOM 0 HH21 ARG A 387 6.617 7.833 -7.682 1.00 2.25 H new ATOM 0 HH22 ARG A 387 6.945 9.550 -7.422 1.00 2.25 H new ATOM 422 N GLU A 388 7.993 2.448 -6.028 1.00 0.64 N ATOM 423 CA GLU A 388 8.998 1.763 -6.835 1.00 0.69 C ATOM 424 C GLU A 388 10.406 2.206 -6.450 1.00 0.61 C ATOM 425 O GLU A 388 11.313 1.381 -6.330 1.00 0.63 O ATOM 426 CB GLU A 388 8.758 2.008 -8.330 1.00 0.88 C ATOM 427 CG GLU A 388 8.878 3.468 -8.749 1.00 1.58 C ATOM 428 CD GLU A 388 7.812 4.349 -8.129 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.614 4.091 -8.372 1.00 2.65 O ATOM 430 OE2 GLU A 388 8.174 5.297 -7.401 1.00 2.82 O ATOM 0 H GLU A 388 7.314 2.986 -6.566 1.00 0.64 H new ATOM 0 HA GLU A 388 8.907 0.695 -6.638 1.00 0.69 H new ATOM 0 HB2 GLU A 388 9.472 1.417 -8.903 1.00 0.88 H new ATOM 0 HB3 GLU A 388 7.763 1.647 -8.591 1.00 0.88 H new ATOM 0 HG2 GLU A 388 9.862 3.842 -8.466 1.00 1.58 H new ATOM 0 HG3 GLU A 388 8.812 3.536 -9.835 1.00 1.58 H new ATOM 437 N ASP A 389 10.585 3.508 -6.244 1.00 0.65 N ATOM 438 CA ASP A 389 11.885 4.048 -5.859 1.00 0.69 C ATOM 439 C ASP A 389 12.238 3.632 -4.433 1.00 0.64 C ATOM 440 O ASP A 389 13.256 4.054 -3.884 1.00 0.91 O ATOM 441 CB ASP A 389 11.887 5.575 -5.977 1.00 0.81 C ATOM 442 CG ASP A 389 10.810 6.228 -5.131 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.048 5.493 -4.471 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.733 7.474 -5.124 1.00 1.23 O ATOM 0 H ASP A 389 9.848 4.207 -6.337 1.00 0.65 H new ATOM 0 HA ASP A 389 12.637 3.643 -6.536 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.862 5.958 -5.676 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.743 5.855 -7.021 1.00 0.81 H new ATOM 449 N GLY A 390 11.390 2.793 -3.846 1.00 0.55 N ATOM 450 CA GLY A 390 11.615 2.318 -2.494 1.00 0.53 C ATOM 451 C GLY A 390 11.409 3.396 -1.446 1.00 0.55 C ATOM 452 O GLY A 390 12.191 3.507 -0.502 1.00 1.03 O ATOM 0 H GLY A 390 10.545 2.432 -4.288 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.940 1.487 -2.290 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.631 1.931 -2.415 1.00 0.53 H new ATOM 456 N THR A 391 10.352 4.187 -1.608 1.00 0.57 N ATOM 457 CA THR A 391 10.046 5.254 -0.660 1.00 0.54 C ATOM 458 C THR A 391 8.668 5.060 -0.040 1.00 0.41 C ATOM 459 O THR A 391 7.646 5.180 -0.717 1.00 0.44 O ATOM 460 CB THR A 391 10.115 6.642 -1.322 1.00 0.71 C ATOM 461 OG1 THR A 391 9.163 6.729 -2.388 1.00 0.98 O ATOM 462 CG2 THR A 391 11.513 6.910 -1.856 1.00 0.88 C ATOM 0 H THR A 391 9.695 4.110 -2.384 1.00 0.57 H new ATOM 0 HA THR A 391 10.803 5.203 0.123 1.00 0.54 H new ATOM 0 HB THR A 391 9.878 7.394 -0.569 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.448 6.154 -3.129 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.542 7.896 -2.320 1.00 0.88 H new ATOM 0 HG22 THR A 391 12.229 6.874 -1.035 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.771 6.152 -2.596 1.00 0.88 H new ATOM 470 N VAL A 392 8.650 4.752 1.251 1.00 0.37 N ATOM 471 CA VAL A 392 7.403 4.533 1.974 1.00 0.33 C ATOM 472 C VAL A 392 6.627 5.837 2.150 1.00 0.32 C ATOM 473 O VAL A 392 7.200 6.867 2.504 1.00 0.41 O ATOM 474 CB VAL A 392 7.671 3.911 3.357 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.367 3.518 4.031 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.601 2.716 3.232 1.00 0.52 C ATOM 0 H VAL A 392 9.489 4.648 1.821 1.00 0.37 H new ATOM 0 HA VAL A 392 6.804 3.843 1.379 1.00 0.33 H new ATOM 0 HB VAL A 392 8.160 4.658 3.982 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.579 3.081 5.007 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.742 4.402 4.158 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.843 2.789 3.413 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.779 2.289 4.219 1.00 0.52 H new ATOM 0 HG22 VAL A 392 8.143 1.964 2.589 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.548 3.036 2.799 1.00 0.52 H new ATOM 486 N HIS A 393 5.320 5.782 1.904 1.00 0.29 N ATOM 487 CA HIS A 393 4.459 6.957 2.036 1.00 0.31 C ATOM 488 C HIS A 393 3.047 6.549 2.447 1.00 0.27 C ATOM 489 O HIS A 393 2.521 5.543 1.974 1.00 0.26 O ATOM 490 CB HIS A 393 4.415 7.744 0.724 1.00 0.37 C ATOM 491 CG HIS A 393 5.707 8.419 0.385 1.00 0.92 C ATOM 492 ND1 HIS A 393 6.271 9.402 1.173 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.551 8.247 -0.660 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.404 9.805 0.625 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.596 9.119 -0.485 1.00 1.82 N ATOM 0 H HIS A 393 4.832 4.935 1.612 1.00 0.29 H new ATOM 0 HA HIS A 393 4.878 7.595 2.814 1.00 0.31 H new ATOM 0 HB2 HIS A 393 4.145 7.067 -0.087 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.628 8.496 0.787 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.425 7.553 -1.478 1.00 0.94 H new ATOM 0 HE1 HIS A 393 8.061 10.566 1.019 1.00 2.43 H new ATOM 0 HE2 HIS A 393 8.393 9.220 -1.113 1.00 1.82 H new ATOM 504 N ARG A 394 2.448 7.330 3.341 1.00 0.29 N ATOM 505 CA ARG A 394 1.102 7.043 3.831 1.00 0.28 C ATOM 506 C ARG A 394 0.091 6.935 2.696 1.00 0.26 C ATOM 507 O ARG A 394 0.299 7.459 1.602 1.00 0.32 O ATOM 508 CB ARG A 394 0.645 8.113 4.821 1.00 0.35 C ATOM 509 CG ARG A 394 1.558 8.266 6.025 1.00 0.42 C ATOM 510 CD ARG A 394 1.000 9.273 7.016 1.00 0.52 C ATOM 511 NE ARG A 394 0.790 10.585 6.408 1.00 1.34 N ATOM 512 CZ ARG A 394 1.766 11.331 5.896 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.022 10.906 5.930 1.00 2.41 N ATOM 514 NH2 ARG A 394 1.487 12.507 5.351 1.00 2.96 N ATOM 0 H ARG A 394 2.873 8.167 3.741 1.00 0.29 H new ATOM 0 HA ARG A 394 1.150 6.078 4.336 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.580 9.070 4.303 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.359 7.869 5.167 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.682 7.300 6.515 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.547 8.586 5.696 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.055 8.903 7.414 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.685 9.370 7.858 1.00 0.52 H new ATOM 0 HE ARG A 394 -0.161 10.951 6.374 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.244 10.003 6.350 1.00 2.41 H new ATOM 0 HH12 ARG A 394 3.766 11.482 5.536 1.00 2.41 H new ATOM 0 HH21 ARG A 394 0.524 12.841 5.324 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.236 13.078 4.959 1.00 2.96 H new ATOM 528 N GLY A 395 -1.008 6.245 2.983 1.00 0.23 N ATOM 529 CA GLY A 395 -2.066 6.054 2.009 1.00 0.25 C ATOM 530 C GLY A 395 -3.223 5.263 2.594 1.00 0.23 C ATOM 531 O GLY A 395 -3.025 4.178 3.142 1.00 0.26 O ATOM 0 H GLY A 395 -1.185 5.809 3.888 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.424 7.024 1.664 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.670 5.532 1.138 1.00 0.25 H new ATOM 535 N GLN A 396 -4.431 5.809 2.493 1.00 0.29 N ATOM 536 CA GLN A 396 -5.615 5.145 3.032 1.00 0.34 C ATOM 537 C GLN A 396 -6.175 4.109 2.061 1.00 0.35 C ATOM 538 O GLN A 396 -6.418 4.407 0.892 1.00 0.46 O ATOM 539 CB GLN A 396 -6.696 6.180 3.350 1.00 0.43 C ATOM 540 CG GLN A 396 -6.272 7.214 4.378 1.00 0.50 C ATOM 541 CD GLN A 396 -7.339 8.256 4.628 1.00 0.64 C ATOM 542 OE1 GLN A 396 -7.862 8.868 3.696 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.649 8.474 5.894 1.00 0.61 N ATOM 0 H GLN A 396 -4.616 6.706 2.045 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.315 4.628 3.943 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -6.978 6.691 2.430 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.585 5.664 3.713 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.033 6.712 5.315 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.361 7.706 4.038 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.188 7.941 6.631 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.350 9.175 6.134 1.00 0.61 H new ATOM 552 N VAL A 397 -6.406 2.895 2.559 1.00 0.33 N ATOM 553 CA VAL A 397 -6.970 1.829 1.738 1.00 0.33 C ATOM 554 C VAL A 397 -8.493 1.882 1.810 1.00 0.33 C ATOM 555 O VAL A 397 -9.059 2.054 2.890 1.00 0.37 O ATOM 556 CB VAL A 397 -6.479 0.438 2.182 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.816 -0.609 1.132 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.988 0.461 2.468 1.00 0.83 C ATOM 0 H VAL A 397 -6.211 2.627 3.524 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.636 1.986 0.713 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.994 0.170 3.104 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.461 -1.585 1.464 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.896 -0.645 0.988 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.333 -0.348 0.190 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.662 -0.531 2.780 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.449 0.753 1.567 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.781 1.178 3.263 1.00 0.83 H new ATOM 568 N LEU A 398 -9.155 1.765 0.663 1.00 0.36 N ATOM 569 CA LEU A 398 -10.613 1.838 0.624 1.00 0.40 C ATOM 570 C LEU A 398 -11.249 0.566 0.066 1.00 0.41 C ATOM 571 O LEU A 398 -12.304 0.139 0.538 1.00 0.47 O ATOM 572 CB LEU A 398 -11.044 3.047 -0.210 1.00 0.46 C ATOM 573 CG LEU A 398 -10.513 4.395 0.287 1.00 0.49 C ATOM 574 CD1 LEU A 398 -10.879 5.508 -0.684 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.054 4.703 1.675 1.00 1.45 C ATOM 0 H LEU A 398 -8.711 1.621 -0.244 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.962 1.946 1.651 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.712 2.898 -1.237 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.133 3.087 -0.230 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.426 4.333 0.345 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.492 6.457 -0.312 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.444 5.297 -1.661 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -11.963 5.569 -0.776 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.666 5.664 2.012 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.143 4.743 1.641 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.741 3.923 2.369 1.00 1.45 H new ATOM 587 N GLN A 399 -10.627 -0.026 -0.949 1.00 0.39 N ATOM 588 CA GLN A 399 -11.169 -1.234 -1.568 1.00 0.43 C ATOM 589 C GLN A 399 -10.067 -2.220 -1.948 1.00 0.38 C ATOM 590 O GLN A 399 -8.882 -1.938 -1.789 1.00 0.35 O ATOM 591 CB GLN A 399 -11.988 -0.870 -2.808 1.00 0.49 C ATOM 592 CG GLN A 399 -13.191 0.010 -2.509 1.00 0.60 C ATOM 593 CD GLN A 399 -13.973 0.371 -3.757 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.457 -0.504 -4.474 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.101 1.666 -4.022 1.00 2.04 N ATOM 0 H GLN A 399 -9.754 0.307 -1.359 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.813 -1.718 -0.833 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.342 -0.358 -3.521 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.330 -1.787 -3.289 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.849 -0.505 -1.809 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.855 0.923 -2.018 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -13.683 2.358 -3.400 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.617 1.969 -4.848 1.00 2.04 H new ATOM 604 N SER A 400 -10.482 -3.383 -2.445 1.00 0.42 N ATOM 605 CA SER A 400 -9.550 -4.431 -2.851 1.00 0.41 C ATOM 606 C SER A 400 -10.201 -5.341 -3.892 1.00 0.47 C ATOM 607 O SER A 400 -11.420 -5.513 -3.895 1.00 0.54 O ATOM 608 CB SER A 400 -9.108 -5.249 -1.637 1.00 0.47 C ATOM 609 OG SER A 400 -10.202 -5.939 -1.057 1.00 0.56 O ATOM 0 H SER A 400 -11.464 -3.624 -2.577 1.00 0.42 H new ATOM 0 HA SER A 400 -8.671 -3.963 -3.294 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.342 -5.964 -1.937 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.657 -4.590 -0.896 1.00 0.47 H new ATOM 0 HG SER A 400 -9.891 -6.455 -0.284 1.00 0.56 H new ATOM 615 N ARG A 401 -9.393 -5.908 -4.791 1.00 0.51 N ATOM 616 CA ARG A 401 -9.927 -6.775 -5.838 1.00 0.60 C ATOM 617 C ARG A 401 -8.934 -7.862 -6.252 1.00 0.73 C ATOM 618 O ARG A 401 -7.757 -7.596 -6.479 1.00 0.86 O ATOM 619 CB ARG A 401 -10.295 -5.940 -7.068 1.00 0.65 C ATOM 620 CG ARG A 401 -9.083 -5.417 -7.828 1.00 0.72 C ATOM 621 CD ARG A 401 -9.485 -4.644 -9.073 1.00 0.91 C ATOM 622 NE ARG A 401 -8.383 -4.539 -10.031 1.00 1.02 N ATOM 623 CZ ARG A 401 -7.257 -3.869 -9.805 1.00 1.25 C ATOM 624 NH1 ARG A 401 -7.077 -3.231 -8.659 1.00 1.55 N ATOM 625 NH2 ARG A 401 -6.306 -3.841 -10.730 1.00 1.43 N ATOM 0 H ARG A 401 -8.381 -5.784 -4.814 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.812 -7.264 -5.430 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -10.903 -6.545 -7.740 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -10.910 -5.096 -6.755 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.495 -4.772 -7.175 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.443 -6.253 -8.111 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.333 -5.137 -9.548 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -9.815 -3.645 -8.789 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.486 -5.010 -10.930 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -7.804 -3.252 -7.944 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -6.211 -2.719 -8.491 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -6.439 -4.333 -11.613 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -5.442 -3.327 -10.558 1.00 1.43 H new ATOM 639 N THR A 402 -9.435 -9.087 -6.376 1.00 0.82 N ATOM 640 CA THR A 402 -8.618 -10.217 -6.796 1.00 0.99 C ATOM 641 C THR A 402 -8.723 -10.406 -8.304 1.00 1.16 C ATOM 642 O THR A 402 -9.808 -10.297 -8.873 1.00 1.79 O ATOM 643 CB THR A 402 -9.058 -11.515 -6.097 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.453 -11.747 -6.326 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.788 -11.443 -4.603 1.00 1.29 C ATOM 0 H THR A 402 -10.410 -9.322 -6.190 1.00 0.82 H new ATOM 0 HA THR A 402 -7.587 -10.001 -6.518 1.00 0.99 H new ATOM 0 HB THR A 402 -8.481 -12.340 -6.514 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.724 -12.576 -5.879 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.107 -12.372 -4.130 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.721 -11.297 -4.433 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.342 -10.608 -4.173 1.00 1.29 H new ATOM 653 N THR A 403 -7.597 -10.684 -8.949 1.00 1.43 N ATOM 654 CA THR A 403 -7.578 -10.882 -10.394 1.00 1.62 C ATOM 655 C THR A 403 -8.456 -12.077 -10.783 1.00 1.84 C ATOM 656 O THR A 403 -9.138 -12.655 -9.936 1.00 1.85 O ATOM 657 CB THR A 403 -6.137 -11.101 -10.899 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.248 -10.203 -10.224 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.028 -10.860 -12.398 1.00 1.95 C ATOM 0 H THR A 403 -6.687 -10.777 -8.497 1.00 1.43 H new ATOM 0 HA THR A 403 -7.977 -9.982 -10.863 1.00 1.62 H new ATOM 0 HB THR A 403 -5.867 -12.136 -10.691 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.367 -10.231 -10.653 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.999 -11.023 -12.719 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.687 -11.549 -12.926 1.00 1.95 H new ATOM 0 HG23 THR A 403 -6.320 -9.834 -12.624 1.00 1.95 H new ATOM 667 N GLU A 404 -8.443 -12.439 -12.063 1.00 2.08 N ATOM 668 CA GLU A 404 -9.244 -13.554 -12.558 1.00 2.34 C ATOM 669 C GLU A 404 -8.982 -14.830 -11.762 1.00 2.30 C ATOM 670 O GLU A 404 -9.905 -15.598 -11.488 1.00 2.37 O ATOM 671 CB GLU A 404 -8.956 -13.798 -14.042 1.00 2.72 C ATOM 672 CG GLU A 404 -9.307 -12.616 -14.932 1.00 2.91 C ATOM 673 CD GLU A 404 -9.038 -12.892 -16.398 1.00 3.42 C ATOM 674 OE1 GLU A 404 -7.870 -13.164 -16.746 1.00 3.79 O ATOM 675 OE2 GLU A 404 -9.995 -12.836 -17.198 1.00 3.87 O ATOM 0 H GLU A 404 -7.884 -11.974 -12.778 1.00 2.08 H new ATOM 0 HA GLU A 404 -10.293 -13.287 -12.433 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.899 -14.033 -14.165 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -9.517 -14.671 -14.374 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -10.360 -12.366 -14.800 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -8.731 -11.745 -14.618 1.00 2.91 H new ATOM 682 N ASN A 405 -7.722 -15.054 -11.401 1.00 2.26 N ATOM 683 CA ASN A 405 -7.348 -16.244 -10.642 1.00 2.30 C ATOM 684 C ASN A 405 -8.138 -16.332 -9.339 1.00 2.07 C ATOM 685 O ASN A 405 -8.719 -17.371 -9.025 1.00 2.40 O ATOM 686 CB ASN A 405 -5.848 -16.237 -10.343 1.00 2.43 C ATOM 687 CG ASN A 405 -5.394 -17.500 -9.640 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.544 -18.603 -10.163 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.836 -17.344 -8.445 1.00 2.73 N ATOM 0 H ASN A 405 -6.945 -14.430 -11.620 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.585 -17.118 -11.249 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.295 -16.124 -11.275 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.608 -15.373 -9.723 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.512 -18.158 -7.923 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.731 -16.410 -8.049 1.00 2.73 H new ATOM 696 N ALA A 406 -8.159 -15.232 -8.588 1.00 1.82 N ATOM 697 CA ALA A 406 -8.883 -15.179 -7.320 1.00 1.67 C ATOM 698 C ALA A 406 -8.458 -16.308 -6.386 1.00 1.85 C ATOM 699 O ALA A 406 -9.291 -17.058 -5.877 1.00 2.18 O ATOM 700 CB ALA A 406 -10.383 -15.225 -7.566 1.00 1.72 C ATOM 0 H ALA A 406 -7.682 -14.365 -8.836 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.635 -14.236 -6.832 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.909 -15.185 -6.612 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.677 -14.373 -8.179 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.639 -16.150 -8.083 1.00 1.72 H new ATOM 706 N ALA A 407 -7.154 -16.416 -6.165 1.00 1.91 N ATOM 707 CA ALA A 407 -6.599 -17.444 -5.292 1.00 2.19 C ATOM 708 C ALA A 407 -5.240 -17.008 -4.768 1.00 2.37 C ATOM 709 O ALA A 407 -4.501 -17.797 -4.177 1.00 2.77 O ATOM 710 CB ALA A 407 -6.480 -18.763 -6.039 1.00 2.38 C ATOM 0 H ALA A 407 -6.456 -15.800 -6.581 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.271 -17.585 -4.445 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.064 -19.521 -5.375 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.466 -19.079 -6.378 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.824 -18.636 -6.900 1.00 2.38 H new ATOM 716 N ALA A 408 -4.927 -15.739 -4.999 1.00 2.15 N ATOM 717 CA ALA A 408 -3.665 -15.151 -4.572 1.00 2.35 C ATOM 718 C ALA A 408 -3.612 -13.666 -4.940 1.00 2.05 C ATOM 719 O ALA A 408 -3.272 -12.832 -4.104 1.00 1.99 O ATOM 720 CB ALA A 408 -2.487 -15.898 -5.184 1.00 2.76 C ATOM 0 H ALA A 408 -5.542 -15.089 -5.488 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.597 -15.239 -3.488 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.555 -15.442 -4.852 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.514 -16.941 -4.868 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.549 -15.847 -6.271 1.00 2.76 H new ATOM 726 N PRO A 409 -3.952 -13.311 -6.200 1.00 1.99 N ATOM 727 CA PRO A 409 -3.943 -11.917 -6.658 1.00 1.80 C ATOM 728 C PRO A 409 -4.953 -11.057 -5.916 1.00 1.41 C ATOM 729 O PRO A 409 -6.067 -11.494 -5.640 1.00 1.86 O ATOM 730 CB PRO A 409 -4.309 -12.008 -8.144 1.00 2.10 C ATOM 731 CG PRO A 409 -4.087 -13.433 -8.516 1.00 2.49 C ATOM 732 CD PRO A 409 -4.370 -14.226 -7.277 1.00 2.27 C ATOM 0 HA PRO A 409 -2.977 -11.446 -6.478 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.345 -11.714 -8.313 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.687 -11.343 -8.744 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.746 -13.732 -9.331 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.065 -13.593 -8.858 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.425 -14.489 -7.197 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.806 -15.159 -7.256 1.00 2.27 H new ATOM 740 N ASP A 410 -4.552 -9.831 -5.598 1.00 0.92 N ATOM 741 CA ASP A 410 -5.418 -8.900 -4.886 1.00 0.79 C ATOM 742 C ASP A 410 -4.771 -7.521 -4.783 1.00 0.68 C ATOM 743 O ASP A 410 -3.670 -7.376 -4.252 1.00 0.93 O ATOM 744 CB ASP A 410 -5.738 -9.443 -3.490 1.00 1.18 C ATOM 745 CG ASP A 410 -4.487 -9.740 -2.682 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.626 -10.494 -3.177 1.00 1.99 O ATOM 747 OD2 ASP A 410 -4.374 -9.228 -1.550 1.00 2.14 O ATOM 0 H ASP A 410 -3.630 -9.458 -5.823 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.346 -8.797 -5.448 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.350 -8.718 -2.953 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.330 -10.353 -3.584 1.00 1.18 H new ATOM 752 N GLU A 411 -5.469 -6.511 -5.294 1.00 0.54 N ATOM 753 CA GLU A 411 -4.978 -5.140 -5.264 1.00 0.45 C ATOM 754 C GLU A 411 -5.859 -4.277 -4.369 1.00 0.40 C ATOM 755 O GLU A 411 -7.083 -4.341 -4.450 1.00 0.42 O ATOM 756 CB GLU A 411 -4.942 -4.551 -6.679 1.00 0.49 C ATOM 757 CG GLU A 411 -3.933 -5.221 -7.601 1.00 0.58 C ATOM 758 CD GLU A 411 -4.260 -6.676 -7.870 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.355 -6.950 -8.405 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.421 -7.543 -7.548 1.00 2.08 O ATOM 0 H GLU A 411 -6.382 -6.619 -5.736 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.966 -5.151 -4.860 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.935 -4.634 -7.122 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.710 -3.488 -6.614 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.897 -4.680 -8.547 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -2.940 -5.153 -7.157 1.00 0.58 H new ATOM 767 N TYR A 412 -5.234 -3.473 -3.515 1.00 0.38 N ATOM 768 CA TYR A 412 -5.974 -2.607 -2.605 1.00 0.35 C ATOM 769 C TYR A 412 -5.843 -1.139 -2.997 1.00 0.33 C ATOM 770 O TYR A 412 -4.737 -0.612 -3.107 1.00 0.34 O ATOM 771 CB TYR A 412 -5.483 -2.796 -1.167 1.00 0.39 C ATOM 772 CG TYR A 412 -5.723 -4.183 -0.613 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.098 -5.294 -1.165 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.582 -4.380 0.461 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.322 -6.559 -0.663 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.809 -5.643 0.970 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.178 -6.730 0.404 1.00 0.62 C ATOM 778 OH TYR A 412 -6.404 -7.990 0.904 1.00 0.72 O ATOM 0 H TYR A 412 -4.220 -3.403 -3.434 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.025 -2.889 -2.672 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.415 -2.579 -1.127 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.980 -2.068 -0.525 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.426 -5.165 -2.001 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -7.080 -3.531 0.905 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.829 -7.412 -1.104 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.478 -5.779 1.807 1.00 0.61 H new ATOM 0 HH TYR A 412 -7.031 -7.936 1.655 1.00 0.72 H new ATOM 788 N TYR A 413 -6.984 -0.481 -3.182 1.00 0.33 N ATOM 789 CA TYR A 413 -7.007 0.932 -3.539 1.00 0.32 C ATOM 790 C TYR A 413 -6.341 1.761 -2.450 1.00 0.32 C ATOM 791 O TYR A 413 -6.523 1.492 -1.263 1.00 0.40 O ATOM 792 CB TYR A 413 -8.452 1.401 -3.734 1.00 0.36 C ATOM 793 CG TYR A 413 -8.577 2.843 -4.183 1.00 0.38 C ATOM 794 CD1 TYR A 413 -7.724 3.367 -5.145 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.548 3.680 -3.644 1.00 0.44 C ATOM 796 CE1 TYR A 413 -7.831 4.683 -5.558 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.663 4.996 -4.052 1.00 0.48 C ATOM 798 CZ TYR A 413 -8.814 5.491 -5.007 1.00 0.46 C ATOM 799 OH TYR A 413 -8.914 6.802 -5.417 1.00 0.51 O ATOM 0 H TYR A 413 -7.907 -0.906 -3.090 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.458 1.065 -4.472 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -8.935 0.759 -4.470 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -8.994 1.275 -2.797 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -6.963 2.736 -5.579 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.224 3.296 -2.894 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.155 5.077 -6.303 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.420 5.633 -3.619 1.00 0.48 H new ATOM 0 HH TYR A 413 -9.651 7.238 -4.941 1.00 0.51 H new ATOM 809 N VAL A 414 -5.564 2.763 -2.849 1.00 0.33 N ATOM 810 CA VAL A 414 -4.881 3.607 -1.877 1.00 0.33 C ATOM 811 C VAL A 414 -5.021 5.088 -2.211 1.00 0.29 C ATOM 812 O VAL A 414 -4.900 5.496 -3.367 1.00 0.38 O ATOM 813 CB VAL A 414 -3.387 3.253 -1.776 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.683 3.500 -3.100 1.00 1.09 C ATOM 815 CG2 VAL A 414 -2.727 4.045 -0.659 1.00 1.15 C ATOM 0 H VAL A 414 -5.393 3.008 -3.824 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.361 3.417 -0.917 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.302 2.192 -1.541 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.628 3.243 -3.005 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.138 2.883 -3.875 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -2.777 4.551 -3.371 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.671 3.782 -0.602 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -2.825 5.111 -0.862 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.211 3.810 0.289 1.00 1.15 H new ATOM 825 N HIS A 415 -5.266 5.886 -1.178 1.00 0.33 N ATOM 826 CA HIS A 415 -5.411 7.326 -1.325 1.00 0.32 C ATOM 827 C HIS A 415 -4.347 8.041 -0.501 1.00 0.32 C ATOM 828 O HIS A 415 -4.509 8.235 0.704 1.00 0.34 O ATOM 829 CB HIS A 415 -6.808 7.772 -0.886 1.00 0.37 C ATOM 830 CG HIS A 415 -6.997 9.257 -0.887 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.808 10.043 -2.004 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.366 10.099 0.104 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.051 11.304 -1.698 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.392 11.366 -0.424 1.00 0.62 N ATOM 0 H HIS A 415 -5.369 5.553 -0.219 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.281 7.585 -2.376 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.548 7.321 -1.547 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.002 7.391 0.117 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.598 9.826 1.123 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -6.982 12.143 -2.375 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -7.635 12.216 0.085 1.00 0.62 H new ATOM 843 N TYR A 416 -3.255 8.415 -1.155 1.00 0.37 N ATOM 844 CA TYR A 416 -2.157 9.093 -0.479 1.00 0.40 C ATOM 845 C TYR A 416 -2.629 10.392 0.163 1.00 0.45 C ATOM 846 O TYR A 416 -3.199 11.257 -0.503 1.00 0.57 O ATOM 847 CB TYR A 416 -1.019 9.368 -1.464 1.00 0.46 C ATOM 848 CG TYR A 416 -0.457 8.115 -2.099 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.146 7.453 -3.109 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.767 7.597 -1.694 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.633 6.312 -3.694 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.287 6.456 -2.275 1.00 0.54 C ATOM 853 CZ TYR A 416 0.583 5.817 -3.275 1.00 0.57 C ATOM 854 OH TYR A 416 1.096 4.681 -3.856 1.00 0.65 O ATOM 0 H TYR A 416 -3.106 8.260 -2.152 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.789 8.440 0.312 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.380 10.033 -2.248 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.218 9.894 -0.944 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.099 7.838 -3.442 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.321 8.094 -0.912 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.182 5.810 -4.476 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.240 6.066 -1.948 1.00 0.54 H new ATOM 0 HH TYR A 416 1.961 4.466 -3.447 1.00 0.65 H new ATOM 864 N VAL A 417 -2.390 10.517 1.466 1.00 0.45 N ATOM 865 CA VAL A 417 -2.794 11.706 2.207 1.00 0.55 C ATOM 866 C VAL A 417 -1.962 12.917 1.810 1.00 0.66 C ATOM 867 O VAL A 417 -0.734 12.872 1.821 1.00 1.34 O ATOM 868 CB VAL A 417 -2.672 11.490 3.727 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.068 12.748 4.485 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.525 10.312 4.159 1.00 1.01 C ATOM 0 H VAL A 417 -1.919 9.809 2.029 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.838 11.891 1.955 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.631 11.270 3.962 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.974 12.572 5.557 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.414 13.570 4.194 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.101 13.005 4.249 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.430 10.170 5.235 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.568 10.507 3.909 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.191 9.412 3.643 1.00 1.01 H new ATOM 880 N GLY A 418 -2.646 14.003 1.473 1.00 0.71 N ATOM 881 CA GLY A 418 -1.962 15.225 1.084 1.00 0.82 C ATOM 882 C GLY A 418 -1.438 15.186 -0.341 1.00 0.72 C ATOM 883 O GLY A 418 -1.522 16.179 -1.064 1.00 0.76 O ATOM 0 H GLY A 418 -3.664 14.061 1.462 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.646 16.067 1.190 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -1.130 15.402 1.766 1.00 0.82 H new ATOM 887 N LEU A 419 -0.891 14.042 -0.745 1.00 0.66 N ATOM 888 CA LEU A 419 -0.348 13.884 -2.089 1.00 0.60 C ATOM 889 C LEU A 419 -1.417 14.126 -3.150 1.00 0.59 C ATOM 890 O LEU A 419 -2.611 13.955 -2.898 1.00 0.76 O ATOM 891 CB LEU A 419 0.266 12.490 -2.265 1.00 0.58 C ATOM 892 CG LEU A 419 1.587 12.256 -1.521 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.381 12.288 -0.014 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.211 10.936 -1.944 1.00 1.40 C ATOM 0 H LEU A 419 -0.813 13.211 -0.159 1.00 0.66 H new ATOM 0 HA LEU A 419 0.435 14.631 -2.219 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.458 11.747 -1.929 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.431 12.316 -3.328 1.00 0.58 H new ATOM 0 HG LEU A 419 2.269 13.064 -1.785 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.334 12.119 0.487 1.00 1.60 H new ATOM 0 HD12 LEU A 419 0.984 13.260 0.278 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.677 11.507 0.274 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.147 10.787 -1.406 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.526 10.120 -1.714 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.408 10.953 -3.016 1.00 1.40 H new ATOM 906 N ASN A 420 -0.972 14.539 -4.335 1.00 0.61 N ATOM 907 CA ASN A 420 -1.869 14.829 -5.452 1.00 0.63 C ATOM 908 C ASN A 420 -2.872 13.700 -5.694 1.00 0.56 C ATOM 909 O ASN A 420 -2.550 12.520 -5.557 1.00 0.56 O ATOM 910 CB ASN A 420 -1.055 15.099 -6.722 1.00 0.75 C ATOM 911 CG ASN A 420 -0.064 14.000 -7.058 1.00 1.57 C ATOM 912 OD1 ASN A 420 0.626 14.071 -8.075 1.00 2.53 O ATOM 913 ND2 ASN A 420 0.023 12.986 -6.212 1.00 1.98 N ATOM 0 H ASN A 420 0.015 14.682 -4.548 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.442 15.719 -5.191 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -1.739 15.228 -7.561 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.515 16.039 -6.604 1.00 0.75 H new ATOM 0 HD21 ASN A 420 0.680 12.226 -6.392 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -0.567 12.964 -5.380 1.00 1.98 H new ATOM 920 N ARG A 421 -4.098 14.088 -6.044 1.00 0.62 N ATOM 921 CA ARG A 421 -5.178 13.137 -6.302 1.00 0.67 C ATOM 922 C ARG A 421 -4.846 12.196 -7.456 1.00 0.66 C ATOM 923 O ARG A 421 -5.211 11.021 -7.427 1.00 0.69 O ATOM 924 CB ARG A 421 -6.481 13.882 -6.605 1.00 0.87 C ATOM 925 CG ARG A 421 -6.988 14.730 -5.448 1.00 1.09 C ATOM 926 CD ARG A 421 -7.354 13.877 -4.243 1.00 1.51 C ATOM 927 NE ARG A 421 -8.410 12.913 -4.550 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.647 13.254 -4.903 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.992 14.533 -4.981 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.543 12.315 -5.176 1.00 3.98 N ATOM 0 H ARG A 421 -4.369 15.065 -6.156 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.300 12.535 -5.402 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.328 14.523 -7.473 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.249 13.157 -6.875 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.223 15.452 -5.164 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -7.860 15.299 -5.769 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -6.469 13.345 -3.894 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.680 14.523 -3.428 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.185 11.920 -4.490 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.308 15.260 -4.770 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.941 14.790 -5.252 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.284 11.330 -5.115 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.491 12.578 -5.446 1.00 3.98 H new ATOM 944 N ARG A 422 -4.167 12.713 -8.476 1.00 0.71 N ATOM 945 CA ARG A 422 -3.806 11.903 -9.637 1.00 0.83 C ATOM 946 C ARG A 422 -3.062 10.640 -9.206 1.00 0.72 C ATOM 947 O ARG A 422 -3.132 9.606 -9.872 1.00 0.77 O ATOM 948 CB ARG A 422 -2.971 12.726 -10.630 1.00 1.01 C ATOM 949 CG ARG A 422 -1.633 13.209 -10.086 1.00 1.19 C ATOM 950 CD ARG A 422 -0.560 12.136 -10.196 1.00 1.49 C ATOM 951 NE ARG A 422 -0.335 11.730 -11.582 1.00 2.09 N ATOM 952 CZ ARG A 422 0.539 10.795 -11.946 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.263 10.164 -11.031 1.00 3.07 N ATOM 954 NH2 ARG A 422 0.688 10.489 -13.228 1.00 3.71 N ATOM 0 H ARG A 422 -3.857 13.684 -8.523 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.722 11.595 -10.141 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.790 12.123 -11.520 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.554 13.591 -10.945 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.317 14.097 -10.633 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.749 13.502 -9.043 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.372 12.510 -9.771 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.853 11.267 -9.606 1.00 1.49 H new ATOM 0 HE ARG A 422 -0.879 12.190 -12.312 1.00 2.09 H new ATOM 0 HH11 ARG A 422 1.151 10.395 -10.044 1.00 3.07 H new ATOM 0 HH12 ARG A 422 1.932 9.448 -11.315 1.00 3.07 H new ATOM 0 HH21 ARG A 422 0.133 10.970 -13.935 1.00 3.71 H new ATOM 0 HH22 ARG A 422 1.358 9.772 -13.507 1.00 3.71 H new ATOM 968 N LEU A 423 -2.358 10.733 -8.083 1.00 0.65 N ATOM 969 CA LEU A 423 -1.604 9.609 -7.542 1.00 0.62 C ATOM 970 C LEU A 423 -2.527 8.455 -7.159 1.00 0.52 C ATOM 971 O LEU A 423 -2.147 7.288 -7.258 1.00 0.53 O ATOM 972 CB LEU A 423 -0.811 10.068 -6.320 1.00 0.69 C ATOM 973 CG LEU A 423 0.705 9.885 -6.409 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.257 10.556 -7.659 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.375 10.449 -5.164 1.00 1.49 C ATOM 0 H LEU A 423 -2.294 11.585 -7.525 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.921 9.251 -8.312 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -1.022 11.123 -6.148 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -1.174 9.524 -5.448 1.00 0.69 H new ATOM 0 HG LEU A 423 0.921 8.818 -6.472 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.337 10.413 -7.702 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.797 10.114 -8.543 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.033 11.622 -7.629 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.454 10.313 -5.238 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.148 11.512 -5.078 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.003 9.927 -4.283 1.00 1.49 H new ATOM 987 N ASP A 424 -3.735 8.793 -6.707 1.00 0.49 N ATOM 988 CA ASP A 424 -4.717 7.794 -6.291 1.00 0.50 C ATOM 989 C ASP A 424 -4.800 6.645 -7.291 1.00 0.45 C ATOM 990 O ASP A 424 -4.862 6.860 -8.502 1.00 0.49 O ATOM 991 CB ASP A 424 -6.095 8.440 -6.127 1.00 0.66 C ATOM 992 CG ASP A 424 -6.102 9.535 -5.077 1.00 0.81 C ATOM 993 OD1 ASP A 424 -5.037 9.784 -4.474 1.00 0.97 O ATOM 994 OD2 ASP A 424 -7.171 10.144 -4.860 1.00 1.20 O ATOM 0 H ASP A 424 -4.057 9.757 -6.620 1.00 0.49 H new ATOM 0 HA ASP A 424 -4.392 7.389 -5.333 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.414 8.856 -7.083 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.821 7.675 -5.854 1.00 0.66 H new ATOM 999 N GLY A 425 -4.793 5.422 -6.769 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.860 4.246 -7.615 1.00 0.50 C ATOM 1001 C GLY A 425 -4.701 2.965 -6.822 1.00 0.45 C ATOM 1002 O GLY A 425 -4.100 2.966 -5.747 1.00 0.70 O ATOM 0 H GLY A 425 -4.742 5.225 -5.770 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.815 4.231 -8.140 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.080 4.301 -8.374 1.00 0.50 H new ATOM 1006 N TRP A 426 -5.242 1.867 -7.343 1.00 0.50 N ATOM 1007 CA TRP A 426 -5.146 0.583 -6.662 1.00 0.44 C ATOM 1008 C TRP A 426 -3.704 0.084 -6.674 1.00 0.45 C ATOM 1009 O TRP A 426 -3.031 0.125 -7.704 1.00 0.57 O ATOM 1010 CB TRP A 426 -6.065 -0.458 -7.309 1.00 0.47 C ATOM 1011 CG TRP A 426 -7.512 -0.072 -7.320 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -8.058 1.078 -7.810 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -8.599 -0.849 -6.819 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -9.423 1.061 -7.643 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.778 -0.115 -7.035 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.684 -2.099 -6.209 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -11.031 -0.593 -6.660 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.926 -2.575 -5.835 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -11.087 -1.824 -6.064 1.00 0.59 C ATOM 0 H TRP A 426 -5.748 1.842 -8.228 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.467 0.727 -5.630 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -5.738 -0.629 -8.335 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.956 -1.404 -6.778 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -7.500 1.884 -8.263 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -10.065 1.801 -7.925 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.795 -2.685 -6.032 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.926 -0.014 -6.833 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -10.003 -3.541 -5.359 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -12.044 -2.224 -5.764 1.00 0.59 H new ATOM 1030 N VAL A 427 -3.236 -0.382 -5.521 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.872 -0.882 -5.394 1.00 0.46 C ATOM 1032 C VAL A 427 -1.851 -2.284 -4.795 1.00 0.51 C ATOM 1033 O VAL A 427 -2.646 -2.603 -3.912 1.00 0.70 O ATOM 1034 CB VAL A 427 -1.013 0.046 -4.517 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.898 1.423 -5.140 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.593 0.146 -3.120 1.00 0.85 C ATOM 0 H VAL A 427 -3.782 -0.424 -4.660 1.00 0.39 H new ATOM 0 HA VAL A 427 -1.454 -0.912 -6.400 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.013 -0.383 -4.448 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.286 2.061 -4.502 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.433 1.340 -6.123 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.891 1.859 -5.244 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.972 0.806 -2.515 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.605 0.548 -3.174 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.620 -0.844 -2.665 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.934 -3.112 -5.283 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.817 -4.473 -4.791 1.00 0.65 C ATOM 1048 C GLY A 428 -0.701 -4.547 -3.279 1.00 0.79 C ATOM 1049 O GLY A 428 -0.135 -3.656 -2.647 1.00 1.72 O ATOM 0 H GLY A 428 -0.267 -2.864 -6.014 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.687 -5.046 -5.112 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.058 -4.943 -5.241 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.242 -5.618 -2.706 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.209 -5.832 -1.260 1.00 0.54 C ATOM 1055 C ARG A 429 0.212 -5.707 -0.709 1.00 0.49 C ATOM 1056 O ARG A 429 0.425 -5.112 0.347 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.804 -7.211 -0.936 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.264 -7.867 0.330 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.550 -7.050 1.580 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.100 -7.743 2.785 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.018 -7.174 3.984 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -1.285 -5.886 4.130 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.650 -7.893 5.037 1.00 1.65 N ATOM 0 H ARG A 429 -1.713 -6.359 -3.226 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.808 -5.060 -0.778 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.885 -7.110 -0.841 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.619 -7.877 -1.779 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.706 -8.857 0.439 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.188 -8.008 0.231 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.051 -6.084 1.507 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.620 -6.852 1.650 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.832 -8.724 2.701 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -1.555 -5.326 3.321 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -1.221 -5.453 5.051 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.430 -8.883 4.927 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.587 -7.456 5.956 1.00 1.65 H new ATOM 1077 N HIS A 430 1.178 -6.270 -1.426 1.00 0.49 N ATOM 1078 CA HIS A 430 2.574 -6.220 -1.001 1.00 0.53 C ATOM 1079 C HIS A 430 3.058 -4.787 -0.798 1.00 0.47 C ATOM 1080 O HIS A 430 3.992 -4.544 -0.034 1.00 0.49 O ATOM 1081 CB HIS A 430 3.472 -6.930 -2.013 1.00 0.65 C ATOM 1082 CG HIS A 430 3.235 -6.522 -3.433 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.046 -6.747 -4.095 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.049 -5.909 -4.326 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.139 -6.292 -5.331 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.343 -5.778 -5.496 1.00 1.46 N ATOM 0 H HIS A 430 1.022 -6.766 -2.303 1.00 0.49 H new ATOM 0 HA HIS A 430 2.634 -6.734 -0.042 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.514 -6.733 -1.759 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.320 -8.006 -1.925 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.064 -5.584 -4.150 1.00 1.47 H new ATOM 0 HE1 HIS A 430 1.362 -6.333 -6.080 1.00 1.31 H new ATOM 0 HE2 HIS A 430 3.693 -5.352 -6.354 1.00 1.46 H new ATOM 1095 N ARG A 431 2.433 -3.842 -1.492 1.00 0.43 N ATOM 1096 CA ARG A 431 2.823 -2.442 -1.386 1.00 0.41 C ATOM 1097 C ARG A 431 2.285 -1.805 -0.104 1.00 0.37 C ATOM 1098 O ARG A 431 2.986 -1.034 0.549 1.00 0.57 O ATOM 1099 CB ARG A 431 2.345 -1.658 -2.610 1.00 0.44 C ATOM 1100 CG ARG A 431 2.923 -2.163 -3.924 1.00 0.53 C ATOM 1101 CD ARG A 431 2.628 -1.201 -5.065 1.00 0.64 C ATOM 1102 NE ARG A 431 3.200 -1.649 -6.333 1.00 1.39 N ATOM 1103 CZ ARG A 431 2.814 -2.747 -6.978 1.00 2.05 C ATOM 1104 NH1 ARG A 431 1.847 -3.511 -6.485 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.393 -3.081 -8.124 1.00 2.84 N ATOM 0 H ARG A 431 1.658 -4.019 -2.131 1.00 0.43 H new ATOM 0 HA ARG A 431 3.912 -2.405 -1.346 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.257 -1.706 -2.659 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.612 -0.609 -2.485 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.001 -2.292 -3.824 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.505 -3.143 -4.155 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.549 -1.092 -5.175 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.025 -0.216 -4.818 1.00 0.64 H new ATOM 0 HE ARG A 431 3.941 -1.085 -6.749 1.00 1.39 H new ATOM 0 HH11 ARG A 431 1.395 -3.258 -5.606 1.00 2.55 H new ATOM 0 HH12 ARG A 431 1.556 -4.351 -6.985 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.134 -2.496 -8.511 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.097 -3.923 -8.619 1.00 2.84 H new ATOM 1119 N ILE A 432 1.045 -2.127 0.259 1.00 0.39 N ATOM 1120 CA ILE A 432 0.445 -1.572 1.470 1.00 0.36 C ATOM 1121 C ILE A 432 0.752 -2.447 2.681 1.00 0.38 C ATOM 1122 O ILE A 432 0.678 -3.673 2.610 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.084 -1.403 1.335 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.408 -0.567 0.096 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.655 -0.750 2.586 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.889 -0.426 -0.182 1.00 0.46 C ATOM 0 H ILE A 432 0.441 -2.763 -0.262 1.00 0.39 H new ATOM 0 HA ILE A 432 0.887 -0.586 1.613 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.542 -2.386 1.223 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.975 0.426 0.217 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.928 -1.020 -0.771 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.734 -0.637 2.477 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.441 -1.375 3.453 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.200 0.230 2.725 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.035 0.180 -1.076 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.326 -1.413 -0.337 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.374 0.056 0.667 1.00 0.46 H new ATOM 1138 N SER A 433 1.105 -1.803 3.790 1.00 0.34 N ATOM 1139 CA SER A 433 1.436 -2.511 5.022 1.00 0.38 C ATOM 1140 C SER A 433 1.354 -1.574 6.222 1.00 0.36 C ATOM 1141 O SER A 433 1.765 -0.416 6.148 1.00 0.34 O ATOM 1142 CB SER A 433 2.842 -3.108 4.928 1.00 0.41 C ATOM 1143 OG SER A 433 2.920 -4.079 3.899 1.00 0.53 O ATOM 0 H SER A 433 1.169 -0.787 3.860 1.00 0.34 H new ATOM 0 HA SER A 433 0.713 -3.315 5.157 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.565 -2.314 4.738 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.111 -3.563 5.881 1.00 0.41 H new ATOM 0 HG SER A 433 2.020 -4.276 3.566 1.00 0.53 H new ATOM 1149 N ASP A 434 0.818 -2.083 7.328 1.00 0.43 N ATOM 1150 CA ASP A 434 0.680 -1.294 8.548 1.00 0.48 C ATOM 1151 C ASP A 434 2.018 -1.160 9.273 1.00 0.48 C ATOM 1152 O ASP A 434 2.061 -0.794 10.447 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.356 -1.931 9.475 1.00 0.60 C ATOM 1154 CG ASP A 434 0.032 -3.332 9.904 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.185 -4.202 9.020 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.182 -3.559 11.122 1.00 1.35 O ATOM 0 H ASP A 434 0.472 -3.039 7.404 1.00 0.43 H new ATOM 0 HA ASP A 434 0.344 -0.296 8.267 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.481 -1.306 10.359 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.321 -1.964 8.968 1.00 0.60 H new ATOM 1161 N ASN A 435 3.106 -1.457 8.567 1.00 0.43 N ATOM 1162 CA ASN A 435 4.443 -1.367 9.143 1.00 0.47 C ATOM 1163 C ASN A 435 5.399 -0.668 8.182 1.00 0.39 C ATOM 1164 O ASN A 435 5.670 -1.165 7.090 1.00 0.38 O ATOM 1165 CB ASN A 435 4.976 -2.761 9.482 1.00 0.59 C ATOM 1166 CG ASN A 435 4.128 -3.473 10.519 1.00 1.26 C ATOM 1167 OD1 ASN A 435 2.947 -3.734 10.298 1.00 2.16 O ATOM 1168 ND2 ASN A 435 4.731 -3.789 11.660 1.00 1.81 N ATOM 0 H ASN A 435 3.087 -1.762 7.594 1.00 0.43 H new ATOM 0 HA ASN A 435 4.376 -0.781 10.059 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.014 -3.362 8.574 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.998 -2.675 9.850 1.00 0.59 H new ATOM 0 HD21 ASN A 435 4.212 -4.268 12.396 1.00 1.81 H new ATOM 0 HD22 ASN A 435 5.713 -3.553 11.800 1.00 1.81 H new ATOM 1175 N ALA A 436 5.901 0.489 8.598 1.00 0.49 N ATOM 1176 CA ALA A 436 6.824 1.267 7.779 1.00 0.55 C ATOM 1177 C ALA A 436 8.126 0.512 7.529 1.00 0.55 C ATOM 1178 O ALA A 436 8.644 0.508 6.411 1.00 0.54 O ATOM 1179 CB ALA A 436 7.108 2.607 8.438 1.00 0.75 C ATOM 0 H ALA A 436 5.684 0.911 9.501 1.00 0.49 H new ATOM 0 HA ALA A 436 6.350 1.438 6.812 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.798 3.179 7.817 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.177 3.162 8.551 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.553 2.443 9.419 1.00 0.75 H new ATOM 1185 N ASP A 437 8.654 -0.117 8.575 1.00 0.65 N ATOM 1186 CA ASP A 437 9.903 -0.868 8.466 1.00 0.75 C ATOM 1187 C ASP A 437 9.803 -1.949 7.394 1.00 0.71 C ATOM 1188 O ASP A 437 10.744 -2.165 6.630 1.00 0.78 O ATOM 1189 CB ASP A 437 10.261 -1.499 9.813 1.00 0.92 C ATOM 1190 CG ASP A 437 10.461 -0.465 10.905 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.325 0.742 10.611 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.751 -0.860 12.053 1.00 1.34 O ATOM 0 H ASP A 437 8.238 -0.122 9.506 1.00 0.65 H new ATOM 0 HA ASP A 437 10.690 -0.172 8.177 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.470 -2.187 10.110 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.172 -2.088 9.704 1.00 0.92 H new ATOM 1197 N ASP A 438 8.659 -2.623 7.341 1.00 0.68 N ATOM 1198 CA ASP A 438 8.439 -3.678 6.358 1.00 0.73 C ATOM 1199 C ASP A 438 7.992 -3.094 5.018 1.00 0.73 C ATOM 1200 O ASP A 438 7.054 -3.594 4.397 1.00 1.35 O ATOM 1201 CB ASP A 438 7.394 -4.671 6.870 1.00 0.88 C ATOM 1202 CG ASP A 438 7.836 -5.370 8.142 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.881 -6.053 8.111 1.00 1.36 O ATOM 1204 OD2 ASP A 438 7.136 -5.235 9.167 1.00 1.56 O ATOM 0 H ASP A 438 7.870 -2.458 7.967 1.00 0.68 H new ATOM 0 HA ASP A 438 9.384 -4.201 6.207 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.457 -4.146 7.054 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.196 -5.416 6.099 1.00 0.88 H new ATOM 1209 N LEU A 439 8.671 -2.036 4.582 1.00 0.54 N ATOM 1210 CA LEU A 439 8.344 -1.381 3.318 1.00 0.53 C ATOM 1211 C LEU A 439 9.560 -0.660 2.745 1.00 0.61 C ATOM 1212 O LEU A 439 9.812 -0.707 1.543 1.00 0.86 O ATOM 1213 CB LEU A 439 7.215 -0.368 3.528 1.00 0.52 C ATOM 1214 CG LEU A 439 5.840 -0.958 3.837 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.941 0.103 4.437 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.205 -1.512 2.578 1.00 1.10 C ATOM 0 H LEU A 439 9.451 -1.614 5.085 1.00 0.54 H new ATOM 0 HA LEU A 439 8.026 -2.150 2.615 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.496 0.296 4.345 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.132 0.246 2.631 1.00 0.52 H new ATOM 0 HG LEU A 439 5.967 -1.769 4.554 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.964 -0.328 4.653 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.385 0.477 5.360 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.827 0.925 3.730 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.226 -1.928 2.817 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.090 -0.712 1.846 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.841 -2.295 2.164 1.00 1.10 H new ATOM 1228 N GLY A 440 10.312 0.006 3.613 1.00 0.59 N ATOM 1229 CA GLY A 440 11.491 0.728 3.171 1.00 0.77 C ATOM 1230 C GLY A 440 11.889 1.819 4.142 1.00 0.96 C ATOM 1231 O GLY A 440 12.263 2.919 3.732 1.00 1.36 O ATOM 0 H GLY A 440 10.127 0.059 4.615 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.319 0.030 3.052 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.301 1.167 2.192 1.00 0.77 H new ATOM 1235 N GLY A 441 11.804 1.519 5.435 1.00 0.93 N ATOM 1236 CA GLY A 441 12.155 2.498 6.445 1.00 1.24 C ATOM 1237 C GLY A 441 11.255 3.717 6.395 1.00 1.14 C ATOM 1238 O GLY A 441 10.030 3.592 6.389 1.00 1.83 O ATOM 0 H GLY A 441 11.499 0.617 5.799 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.089 2.040 7.432 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.191 2.807 6.305 1.00 1.24 H new ATOM 1242 N ILE A 442 11.864 4.896 6.352 1.00 1.10 N ATOM 1243 CA ILE A 442 11.114 6.145 6.296 1.00 1.03 C ATOM 1244 C ILE A 442 11.570 6.988 5.108 1.00 1.05 C ATOM 1245 O ILE A 442 12.236 8.011 5.272 1.00 1.39 O ATOM 1246 CB ILE A 442 11.267 6.954 7.601 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.883 6.090 8.807 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.412 8.215 7.553 1.00 1.38 C ATOM 1249 CD1 ILE A 442 9.457 5.580 8.766 1.00 1.48 C ATOM 0 H ILE A 442 12.877 5.013 6.355 1.00 1.10 H new ATOM 0 HA ILE A 442 10.061 5.891 6.174 1.00 1.03 H new ATOM 0 HB ILE A 442 12.310 7.253 7.704 1.00 1.26 H new ATOM 0 HG12 ILE A 442 11.562 5.239 8.863 1.00 1.41 H new ATOM 0 HG13 ILE A 442 11.025 6.671 9.718 1.00 1.41 H new ATOM 0 HG21 ILE A 442 10.533 8.772 8.482 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.726 8.836 6.714 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.365 7.940 7.429 1.00 1.38 H new ATOM 0 HD11 ILE A 442 9.261 4.977 9.653 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.769 6.425 8.742 1.00 1.48 H new ATOM 0 HD13 ILE A 442 9.314 4.970 7.874 1.00 1.48 H new