USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 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 Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.53) USER MOD Single : A 381 LYS NZ :NH3+ 165:sc= -0.0316 (180deg=-0.288) USER MOD Single : A 383 TYR OH : rot -4:sc= 0.0141 USER MOD Single : A 391 THR OG1 : rot -80:sc= -1.25! USER MOD Single : A 393 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.8) USER MOD Single : A 396 GLN : amide:sc= 0 X(o=0,f=-0.16) 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 -172:sc= -0.263 USER MOD Single : A 403 THR OG1 : rot -80:sc= 0.0379 USER MOD Single : A 405 ASN : amide:sc= -5.75! K(o=-5.7!,f=-1.3) USER MOD Single : A 412 TYR OH : rot -63:sc= 1.28 USER MOD Single : A 413 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 415 HIS : no HE2:sc= 0.52 K(o=0.52,f=-3.2!) USER MOD Single : A 416 TYR OH : rot 180:sc= -0.0303 USER MOD Single : A 420 ASN : amide:sc= -5.74! C(o=-5.7!,f=-19!) USER MOD Single : A 430 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-3.8!) USER MOD Single : A 433 SER OG : rot -11:sc= 0.78 USER MOD Single : A 435 ASN : amide:sc= -3.13! K(o=-3.1!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -4.972 -7.903 5.312 1.00 1.42 N ATOM 158 CA ILE A 373 -5.393 -6.856 6.236 1.00 1.22 C ATOM 159 C ILE A 373 -6.866 -6.502 6.041 1.00 1.13 C ATOM 160 O ILE A 373 -7.317 -6.282 4.917 1.00 1.20 O ATOM 161 CB ILE A 373 -4.543 -5.582 6.051 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.065 -5.887 6.313 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.033 -4.468 6.968 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.151 -4.699 6.104 1.00 1.48 C ATOM 0 HA ILE A 373 -5.250 -7.245 7.244 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.650 -5.243 5.021 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.953 -6.244 7.337 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -2.749 -6.697 5.656 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.419 -3.579 6.821 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.072 -4.235 6.734 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.959 -4.792 8.006 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.121 -4.992 6.308 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.233 -4.354 5.073 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.440 -3.894 6.780 1.00 1.48 H new ATOM 176 N ASP A 374 -7.605 -6.448 7.144 1.00 1.16 N ATOM 177 CA ASP A 374 -9.009 -6.124 7.119 1.00 1.17 C ATOM 178 C ASP A 374 -9.222 -4.616 7.226 1.00 1.03 C ATOM 179 O ASP A 374 -8.948 -4.019 8.263 1.00 1.25 O ATOM 180 CB ASP A 374 -9.687 -6.835 8.278 1.00 1.40 C ATOM 181 CG ASP A 374 -9.905 -8.311 8.010 1.00 1.77 C ATOM 182 OD1 ASP A 374 -10.609 -8.638 7.031 1.00 2.04 O ATOM 183 OD2 ASP A 374 -9.375 -9.140 8.779 1.00 2.17 O ATOM 0 H ASP A 374 -7.237 -6.630 8.078 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.441 -6.452 6.174 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.080 -6.718 9.176 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.647 -6.360 8.479 1.00 1.40 H new ATOM 188 N ILE A 375 -9.698 -4.005 6.148 1.00 0.84 N ATOM 189 CA ILE A 375 -9.935 -2.564 6.129 1.00 0.76 C ATOM 190 C ILE A 375 -11.160 -2.181 6.953 1.00 0.76 C ATOM 191 O ILE A 375 -11.165 -1.154 7.632 1.00 0.79 O ATOM 192 CB ILE A 375 -10.137 -2.043 4.695 1.00 0.77 C ATOM 193 CG1 ILE A 375 -8.900 -2.327 3.841 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.446 -0.554 4.724 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.088 -1.991 2.377 1.00 0.92 C ATOM 0 H ILE A 375 -9.928 -4.482 5.276 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.046 -2.107 6.565 1.00 0.76 H new ATOM 0 HB ILE A 375 -10.982 -2.564 4.245 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.059 -1.755 4.232 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -8.639 -3.381 3.933 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -10.588 -0.192 3.706 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.355 -0.382 5.300 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -9.617 -0.019 5.187 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.172 -2.217 1.831 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -9.908 -2.583 1.970 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -9.319 -0.931 2.274 1.00 0.92 H new ATOM 207 N SER A 376 -12.202 -2.999 6.862 1.00 0.79 N ATOM 208 CA SER A 376 -13.455 -2.745 7.571 1.00 0.87 C ATOM 209 C SER A 376 -13.231 -2.368 9.030 1.00 0.96 C ATOM 210 O SER A 376 -14.040 -1.655 9.624 1.00 1.54 O ATOM 211 CB SER A 376 -14.366 -3.969 7.487 1.00 0.95 C ATOM 212 OG SER A 376 -15.602 -3.731 8.141 1.00 1.71 O ATOM 0 H SER A 376 -12.205 -3.850 6.300 1.00 0.79 H new ATOM 0 HA SER A 376 -13.932 -1.895 7.083 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.546 -4.221 6.442 1.00 0.95 H new ATOM 0 HB3 SER A 376 -13.870 -4.827 7.941 1.00 0.95 H new ATOM 0 HG SER A 376 -16.168 -4.528 8.072 1.00 1.71 H new ATOM 218 N GLU A 377 -12.148 -2.860 9.607 1.00 0.93 N ATOM 219 CA GLU A 377 -11.847 -2.579 11.007 1.00 1.03 C ATOM 220 C GLU A 377 -11.461 -1.117 11.221 1.00 0.87 C ATOM 221 O GLU A 377 -11.826 -0.519 12.234 1.00 0.93 O ATOM 222 CB GLU A 377 -10.734 -3.494 11.530 1.00 1.18 C ATOM 223 CG GLU A 377 -9.352 -3.154 11.001 1.00 1.28 C ATOM 224 CD GLU A 377 -8.278 -4.079 11.538 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.095 -4.122 12.774 1.00 1.90 O ATOM 226 OE2 GLU A 377 -7.620 -4.762 10.725 1.00 1.92 O ATOM 0 H GLU A 377 -11.465 -3.452 9.135 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.759 -2.777 11.571 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.717 -3.442 12.619 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -10.970 -4.524 11.263 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -9.361 -3.207 9.912 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.108 -2.126 11.268 1.00 1.28 H new ATOM 233 N ASN A 378 -10.713 -0.547 10.280 1.00 0.71 N ATOM 234 CA ASN A 378 -10.277 0.842 10.400 1.00 0.61 C ATOM 235 C ASN A 378 -10.033 1.493 9.040 1.00 0.58 C ATOM 236 O ASN A 378 -8.896 1.797 8.681 1.00 0.59 O ATOM 237 CB ASN A 378 -9.008 0.928 11.250 1.00 0.62 C ATOM 238 CG ASN A 378 -9.285 0.883 12.743 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.514 0.305 13.507 1.00 1.16 O ATOM 240 ND2 ASN A 378 -10.360 1.535 13.175 1.00 2.14 N ATOM 0 H ASN A 378 -10.398 -1.020 9.433 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.084 1.389 10.887 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.344 0.105 10.985 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.481 1.852 11.012 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.570 1.568 14.173 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.975 2.002 12.509 1.00 2.14 H new ATOM 247 N PRO A 379 -11.109 1.728 8.272 1.00 0.62 N ATOM 248 CA PRO A 379 -11.017 2.364 6.950 1.00 0.65 C ATOM 249 C PRO A 379 -10.266 3.695 6.990 1.00 0.61 C ATOM 250 O PRO A 379 -9.478 4.003 6.095 1.00 0.62 O ATOM 251 CB PRO A 379 -12.484 2.611 6.590 1.00 0.77 C ATOM 252 CG PRO A 379 -13.229 1.558 7.327 1.00 0.85 C ATOM 253 CD PRO A 379 -12.504 1.403 8.631 1.00 0.75 C ATOM 0 HA PRO A 379 -10.470 1.746 6.238 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.804 3.608 6.891 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.647 2.535 5.515 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.268 1.848 7.486 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.242 0.621 6.770 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.893 2.079 9.393 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.595 0.391 9.026 1.00 0.75 H new ATOM 261 N ASP A 380 -10.526 4.481 8.032 1.00 0.62 N ATOM 262 CA ASP A 380 -9.892 5.788 8.199 1.00 0.64 C ATOM 263 C ASP A 380 -8.409 5.659 8.535 1.00 0.55 C ATOM 264 O ASP A 380 -7.604 6.499 8.133 1.00 0.55 O ATOM 265 CB ASP A 380 -10.605 6.586 9.293 1.00 0.75 C ATOM 266 CG ASP A 380 -12.067 6.836 8.974 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.523 6.398 7.896 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.758 7.466 9.802 1.00 1.20 O ATOM 0 H ASP A 380 -11.176 4.234 8.778 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.976 6.317 7.249 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.530 6.048 10.238 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -10.098 7.541 9.430 1.00 0.75 H new ATOM 273 N LYS A 381 -8.055 4.614 9.283 1.00 0.51 N ATOM 274 CA LYS A 381 -6.666 4.391 9.679 1.00 0.47 C ATOM 275 C LYS A 381 -5.725 4.561 8.492 1.00 0.39 C ATOM 276 O LYS A 381 -6.009 4.099 7.387 1.00 0.37 O ATOM 277 CB LYS A 381 -6.498 3.002 10.286 1.00 0.50 C ATOM 278 CG LYS A 381 -5.102 2.739 10.816 1.00 0.52 C ATOM 279 CD LYS A 381 -5.012 1.381 11.487 1.00 0.59 C ATOM 280 CE LYS A 381 -3.634 1.152 12.083 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.324 2.130 13.162 1.00 1.66 N ATOM 0 H LYS A 381 -8.709 3.911 9.626 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.409 5.137 10.431 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.215 2.880 11.098 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.739 2.253 9.532 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.384 2.790 9.997 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.829 3.517 11.528 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.766 1.309 12.271 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.231 0.598 10.761 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.576 0.140 12.483 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.882 1.228 11.298 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.505 1.795 13.709 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.104 3.055 12.740 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -4.146 2.224 13.792 1.00 1.66 H new ATOM 295 N ILE A 382 -4.616 5.248 8.729 1.00 0.40 N ATOM 296 CA ILE A 382 -3.630 5.507 7.688 1.00 0.35 C ATOM 297 C ILE A 382 -2.648 4.348 7.535 1.00 0.34 C ATOM 298 O ILE A 382 -2.058 3.889 8.515 1.00 0.41 O ATOM 299 CB ILE A 382 -2.838 6.793 7.999 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.789 7.979 8.197 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.837 7.086 6.894 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.639 8.293 6.984 1.00 0.37 C ATOM 0 H ILE A 382 -4.375 5.639 9.640 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.180 5.625 6.754 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.287 6.639 8.927 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.444 7.770 9.043 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.204 8.861 8.457 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.288 7.997 7.132 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.138 6.254 6.806 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.365 7.217 5.950 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.285 9.143 7.203 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.993 8.535 6.140 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.252 7.427 6.735 1.00 0.37 H new ATOM 314 N TYR A 383 -2.449 3.898 6.296 1.00 0.30 N ATOM 315 CA TYR A 383 -1.509 2.816 6.018 1.00 0.30 C ATOM 316 C TYR A 383 -0.413 3.321 5.087 1.00 0.28 C ATOM 317 O TYR A 383 -0.673 4.131 4.203 1.00 0.25 O ATOM 318 CB TYR A 383 -2.208 1.613 5.378 1.00 0.32 C ATOM 319 CG TYR A 383 -3.356 1.049 6.188 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.592 1.689 6.224 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.198 -0.110 6.936 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.633 1.185 6.980 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.237 -0.621 7.692 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.480 -0.005 7.645 1.00 0.52 C ATOM 325 OH TYR A 383 -6.487 -0.474 8.463 1.00 0.63 O ATOM 0 H TYR A 383 -2.925 4.266 5.472 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.078 2.492 6.965 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.582 1.906 4.397 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.472 0.825 5.217 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.739 2.593 5.652 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.247 -0.621 6.927 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.565 1.727 7.047 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.083 -1.491 8.313 1.00 0.55 H new ATOM 0 HH TYR A 383 -7.204 0.192 8.514 1.00 0.63 H new ATOM 335 N PHE A 384 0.810 2.852 5.288 1.00 0.31 N ATOM 336 CA PHE A 384 1.928 3.279 4.454 1.00 0.30 C ATOM 337 C PHE A 384 2.014 2.451 3.172 1.00 0.28 C ATOM 338 O PHE A 384 1.733 1.253 3.176 1.00 0.33 O ATOM 339 CB PHE A 384 3.246 3.194 5.224 1.00 0.40 C ATOM 340 CG PHE A 384 3.369 4.171 6.369 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.272 4.452 7.169 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.570 4.812 6.641 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.371 5.349 8.217 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.673 5.710 7.685 1.00 0.64 C ATOM 345 CZ PHE A 384 3.622 5.962 8.483 1.00 0.74 C ATOM 0 H PHE A 384 1.054 2.180 6.016 1.00 0.31 H new ATOM 0 HA PHE A 384 1.751 4.318 4.178 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.360 2.182 5.613 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.069 3.363 4.530 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.329 3.965 6.971 1.00 0.83 H new ATOM 0 HD2 PHE A 384 5.435 4.606 6.028 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.508 5.579 8.824 1.00 0.96 H new ATOM 0 HE2 PHE A 384 5.610 6.216 7.862 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.729 6.630 9.325 1.00 0.74 H new ATOM 355 N ILE A 385 2.398 3.103 2.074 1.00 0.26 N ATOM 356 CA ILE A 385 2.515 2.431 0.782 1.00 0.27 C ATOM 357 C ILE A 385 3.938 2.508 0.239 1.00 0.24 C ATOM 358 O ILE A 385 4.555 3.572 0.235 1.00 0.30 O ATOM 359 CB ILE A 385 1.560 3.030 -0.276 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.102 2.944 0.182 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.738 2.325 -1.615 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.241 3.891 1.307 1.00 0.32 C ATOM 0 H ILE A 385 2.633 4.095 2.055 1.00 0.26 H new ATOM 0 HA ILE A 385 2.243 1.391 0.963 1.00 0.27 H new ATOM 0 HB ILE A 385 1.813 4.083 -0.398 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.549 3.153 -0.667 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.109 1.924 0.502 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.058 2.759 -2.348 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.766 2.447 -1.957 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.517 1.264 -1.500 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.290 3.771 1.576 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.383 3.669 2.173 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.064 4.917 0.986 1.00 0.32 H new ATOM 374 N ARG A 386 4.443 1.374 -0.238 1.00 0.29 N ATOM 375 CA ARG A 386 5.787 1.316 -0.806 1.00 0.30 C ATOM 376 C ARG A 386 5.754 1.674 -2.291 1.00 0.33 C ATOM 377 O ARG A 386 5.313 0.875 -3.118 1.00 0.42 O ATOM 378 CB ARG A 386 6.382 -0.083 -0.617 1.00 0.38 C ATOM 379 CG ARG A 386 7.777 -0.248 -1.208 1.00 0.50 C ATOM 380 CD ARG A 386 8.817 0.565 -0.448 1.00 1.02 C ATOM 381 NE ARG A 386 10.172 0.299 -0.933 1.00 1.40 N ATOM 382 CZ ARG A 386 11.272 0.860 -0.431 1.00 1.86 C ATOM 383 NH1 ARG A 386 11.192 1.734 0.565 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.461 0.552 -0.933 1.00 2.39 N ATOM 0 H ARG A 386 3.944 0.485 -0.243 1.00 0.29 H new ATOM 0 HA ARG A 386 6.414 2.040 -0.285 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.421 -0.309 0.449 1.00 0.38 H new ATOM 0 HB3 ARG A 386 5.716 -0.815 -1.074 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.056 -1.301 -1.190 1.00 0.50 H new ATOM 0 HG3 ARG A 386 7.767 0.062 -2.253 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.595 1.627 -0.552 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.758 0.329 0.615 1.00 1.02 H new ATOM 0 HE ARG A 386 10.282 -0.358 -1.705 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.282 1.982 0.954 1.00 2.42 H new ATOM 0 HH12 ARG A 386 12.040 2.157 0.942 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.533 -0.114 -1.703 1.00 2.39 H new ATOM 0 HH22 ARG A 386 13.303 0.981 -0.549 1.00 2.39 H new ATOM 398 N ARG A 387 6.224 2.872 -2.625 1.00 0.41 N ATOM 399 CA ARG A 387 6.247 3.324 -4.013 1.00 0.51 C ATOM 400 C ARG A 387 7.222 2.496 -4.843 1.00 0.49 C ATOM 401 O ARG A 387 8.111 1.838 -4.302 1.00 0.47 O ATOM 402 CB ARG A 387 6.617 4.807 -4.099 1.00 0.63 C ATOM 403 CG ARG A 387 5.563 5.737 -3.521 1.00 0.84 C ATOM 404 CD ARG A 387 5.944 7.196 -3.719 1.00 0.94 C ATOM 405 NE ARG A 387 6.048 7.555 -5.132 1.00 1.32 N ATOM 406 CZ ARG A 387 5.005 7.638 -5.955 1.00 1.79 C ATOM 407 NH1 ARG A 387 3.774 7.441 -5.499 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.191 7.936 -7.233 1.00 2.25 N ATOM 0 H ARG A 387 6.594 3.547 -1.955 1.00 0.41 H new ATOM 0 HA ARG A 387 5.244 3.189 -4.419 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.558 4.968 -3.573 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.786 5.070 -5.143 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.602 5.542 -3.998 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.439 5.533 -2.458 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.200 7.832 -3.239 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.896 7.391 -3.226 1.00 0.94 H new ATOM 0 HE ARG A 387 6.974 7.754 -5.510 1.00 1.32 H new ATOM 0 HH11 ARG A 387 3.624 7.225 -4.514 1.00 2.30 H new ATOM 0 HH12 ARG A 387 2.978 7.506 -6.134 1.00 2.30 H new ATOM 0 HH21 ARG A 387 6.133 8.102 -7.586 1.00 2.25 H new ATOM 0 HH22 ARG A 387 4.392 8.000 -7.863 1.00 2.25 H new ATOM 422 N GLU A 388 7.041 2.535 -6.162 1.00 0.64 N ATOM 423 CA GLU A 388 7.896 1.792 -7.083 1.00 0.69 C ATOM 424 C GLU A 388 9.366 2.040 -6.784 1.00 0.61 C ATOM 425 O GLU A 388 10.056 1.151 -6.285 1.00 0.63 O ATOM 426 CB GLU A 388 7.580 2.168 -8.532 1.00 0.88 C ATOM 427 CG GLU A 388 6.129 1.930 -8.920 1.00 1.58 C ATOM 428 CD GLU A 388 5.836 2.330 -10.353 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.465 1.761 -11.269 1.00 2.65 O ATOM 430 OE2 GLU A 388 4.976 3.213 -10.557 1.00 2.82 O ATOM 0 H GLU A 388 6.306 3.076 -6.617 1.00 0.64 H new ATOM 0 HA GLU A 388 7.694 0.730 -6.945 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.821 3.220 -8.686 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.224 1.592 -9.197 1.00 0.88 H new ATOM 0 HG2 GLU A 388 5.889 0.875 -8.785 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.480 2.493 -8.249 1.00 1.58 H new ATOM 437 N ASP A 389 9.839 3.249 -7.091 1.00 0.65 N ATOM 438 CA ASP A 389 11.233 3.612 -6.843 1.00 0.69 C ATOM 439 C ASP A 389 11.684 3.082 -5.485 1.00 0.64 C ATOM 440 O ASP A 389 12.856 2.764 -5.285 1.00 0.91 O ATOM 441 CB ASP A 389 11.407 5.131 -6.907 1.00 0.81 C ATOM 442 CG ASP A 389 10.454 5.865 -5.985 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.513 5.626 -4.760 1.00 1.23 O ATOM 444 OD2 ASP A 389 9.650 6.677 -6.485 1.00 1.06 O ATOM 0 H ASP A 389 9.278 3.991 -7.511 1.00 0.65 H new ATOM 0 HA ASP A 389 11.854 3.159 -7.616 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.433 5.387 -6.642 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.248 5.469 -7.931 1.00 0.81 H new ATOM 449 N GLY A 390 10.729 2.962 -4.565 1.00 0.55 N ATOM 450 CA GLY A 390 11.022 2.441 -3.249 1.00 0.53 C ATOM 451 C GLY A 390 10.939 3.487 -2.153 1.00 0.55 C ATOM 452 O GLY A 390 11.803 3.544 -1.278 1.00 1.03 O ATOM 0 H GLY A 390 9.753 3.219 -4.714 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.326 1.633 -3.023 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.022 2.008 -3.252 1.00 0.53 H new ATOM 456 N THR A 391 9.896 4.310 -2.189 1.00 0.57 N ATOM 457 CA THR A 391 9.709 5.341 -1.173 1.00 0.54 C ATOM 458 C THR A 391 8.378 5.163 -0.450 1.00 0.41 C ATOM 459 O THR A 391 7.312 5.373 -1.026 1.00 0.44 O ATOM 460 CB THR A 391 9.783 6.756 -1.776 1.00 0.71 C ATOM 461 OG1 THR A 391 8.878 6.871 -2.880 1.00 0.98 O ATOM 462 CG2 THR A 391 11.199 7.070 -2.233 1.00 0.88 C ATOM 0 H THR A 391 9.171 4.284 -2.906 1.00 0.57 H new ATOM 0 HA THR A 391 10.523 5.229 -0.456 1.00 0.54 H new ATOM 0 HB THR A 391 9.498 7.472 -1.005 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.284 6.475 -3.679 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.231 8.074 -2.656 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.877 7.014 -1.381 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.506 6.348 -2.990 1.00 0.88 H new ATOM 470 N VAL A 392 8.454 4.772 0.819 1.00 0.37 N ATOM 471 CA VAL A 392 7.261 4.559 1.631 1.00 0.33 C ATOM 472 C VAL A 392 6.586 5.884 1.987 1.00 0.32 C ATOM 473 O VAL A 392 7.245 6.832 2.415 1.00 0.41 O ATOM 474 CB VAL A 392 7.603 3.791 2.925 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.362 3.598 3.780 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.241 2.450 2.595 1.00 0.52 C ATOM 0 H VAL A 392 9.332 4.596 1.308 1.00 0.37 H new ATOM 0 HA VAL A 392 6.569 3.963 1.035 1.00 0.33 H new ATOM 0 HB VAL A 392 8.319 4.382 3.495 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.626 3.054 4.687 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.949 4.571 4.047 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.619 3.030 3.220 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.476 1.922 3.519 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.548 1.853 2.002 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.157 2.613 2.027 1.00 0.52 H new ATOM 486 N HIS A 393 5.265 5.935 1.813 1.00 0.29 N ATOM 487 CA HIS A 393 4.484 7.135 2.115 1.00 0.31 C ATOM 488 C HIS A 393 3.053 6.761 2.497 1.00 0.27 C ATOM 489 O HIS A 393 2.452 5.877 1.889 1.00 0.26 O ATOM 490 CB HIS A 393 4.465 8.090 0.916 1.00 0.37 C ATOM 491 CG HIS A 393 5.809 8.650 0.565 1.00 0.92 C ATOM 492 ND1 HIS A 393 6.564 9.403 1.441 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.535 8.565 -0.575 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.694 9.756 0.854 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.701 9.259 -0.369 1.00 1.82 N ATOM 0 H HIS A 393 4.711 5.154 1.462 1.00 0.29 H new ATOM 0 HA HIS A 393 4.958 7.639 2.957 1.00 0.31 H new ATOM 0 HB2 HIS A 393 4.065 7.563 0.050 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.784 8.913 1.131 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.249 8.047 -1.479 1.00 0.94 H new ATOM 0 HE1 HIS A 393 8.478 10.350 1.299 1.00 2.43 H new ATOM 0 HE2 HIS A 393 8.451 9.372 -1.050 1.00 1.82 H new ATOM 504 N ARG A 394 2.521 7.430 3.517 1.00 0.29 N ATOM 505 CA ARG A 394 1.167 7.160 3.998 1.00 0.28 C ATOM 506 C ARG A 394 0.130 7.185 2.877 1.00 0.26 C ATOM 507 O ARG A 394 0.324 7.816 1.838 1.00 0.32 O ATOM 508 CB ARG A 394 0.771 8.158 5.083 1.00 0.35 C ATOM 509 CG ARG A 394 1.627 8.073 6.334 1.00 0.42 C ATOM 510 CD ARG A 394 1.076 8.957 7.439 1.00 0.52 C ATOM 511 NE ARG A 394 1.880 8.888 8.658 1.00 1.34 N ATOM 512 CZ ARG A 394 3.138 9.313 8.742 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.734 9.852 7.686 1.00 2.41 N ATOM 514 NH2 ARG A 394 3.800 9.204 9.886 1.00 2.96 N ATOM 0 H ARG A 394 3.008 8.166 4.028 1.00 0.29 H new ATOM 0 HA ARG A 394 1.182 6.152 4.413 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.836 9.167 4.677 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.271 7.991 5.355 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.670 7.040 6.679 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.648 8.373 6.100 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.037 9.989 7.090 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.052 8.658 7.664 1.00 0.52 H new ATOM 0 HE ARG A 394 1.451 8.490 9.494 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.228 9.942 6.805 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.699 10.176 7.755 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.345 8.794 10.702 1.00 2.96 H new ATOM 0 HH22 ARG A 394 4.764 9.530 9.950 1.00 2.96 H new ATOM 528 N GLY A 395 -0.976 6.480 3.114 1.00 0.23 N ATOM 529 CA GLY A 395 -2.055 6.402 2.146 1.00 0.25 C ATOM 530 C GLY A 395 -3.218 5.568 2.661 1.00 0.23 C ATOM 531 O GLY A 395 -3.017 4.478 3.196 1.00 0.26 O ATOM 0 H GLY A 395 -1.143 5.955 3.973 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.405 7.407 1.910 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.680 5.969 1.218 1.00 0.25 H new ATOM 535 N GLN A 396 -4.435 6.082 2.507 1.00 0.29 N ATOM 536 CA GLN A 396 -5.628 5.371 2.964 1.00 0.34 C ATOM 537 C GLN A 396 -6.067 4.306 1.968 1.00 0.35 C ATOM 538 O GLN A 396 -6.218 4.585 0.784 1.00 0.46 O ATOM 539 CB GLN A 396 -6.787 6.348 3.187 1.00 0.43 C ATOM 540 CG GLN A 396 -6.720 7.091 4.512 1.00 0.50 C ATOM 541 CD GLN A 396 -7.979 7.886 4.799 1.00 0.64 C ATOM 542 OE1 GLN A 396 -9.091 7.368 4.697 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.808 9.144 5.183 1.00 0.61 N ATOM 0 H GLN A 396 -4.622 6.985 2.071 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.366 4.885 3.904 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -6.798 7.074 2.374 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.727 5.799 3.137 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.555 6.376 5.318 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.863 7.765 4.504 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.867 9.532 5.254 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.617 9.723 5.408 1.00 0.61 H new ATOM 552 N VAL A 397 -6.310 3.094 2.457 1.00 0.33 N ATOM 553 CA VAL A 397 -6.781 2.019 1.594 1.00 0.33 C ATOM 554 C VAL A 397 -8.302 2.016 1.600 1.00 0.33 C ATOM 555 O VAL A 397 -8.923 2.026 2.664 1.00 0.37 O ATOM 556 CB VAL A 397 -6.256 0.641 2.033 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.548 -0.400 0.971 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.767 0.705 2.340 1.00 0.83 C ATOM 0 H VAL A 397 -6.190 2.834 3.436 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.399 2.201 0.590 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.774 0.349 2.947 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.170 -1.369 1.298 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.624 -0.465 0.812 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.060 -0.116 0.039 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.416 -0.280 2.648 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.225 1.020 1.448 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.592 1.421 3.143 1.00 0.83 H new ATOM 568 N LEU A 398 -8.902 2.061 0.419 1.00 0.36 N ATOM 569 CA LEU A 398 -10.350 2.127 0.314 1.00 0.40 C ATOM 570 C LEU A 398 -10.972 0.829 -0.203 1.00 0.41 C ATOM 571 O LEU A 398 -12.030 0.416 0.271 1.00 0.47 O ATOM 572 CB LEU A 398 -10.732 3.300 -0.592 1.00 0.46 C ATOM 573 CG LEU A 398 -9.965 4.607 -0.326 1.00 0.49 C ATOM 574 CD1 LEU A 398 -9.924 4.928 1.161 1.00 1.16 C ATOM 575 CD2 LEU A 398 -8.559 4.541 -0.906 1.00 1.45 C ATOM 0 H LEU A 398 -8.410 2.053 -0.475 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.748 2.276 1.318 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.569 3.006 -1.629 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -11.799 3.494 -0.479 1.00 0.46 H new ATOM 0 HG LEU A 398 -10.500 5.414 -0.827 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -9.376 5.857 1.318 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.941 5.039 1.537 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -9.426 4.118 1.694 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -8.038 5.477 -0.704 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -8.014 3.716 -0.447 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -8.617 4.382 -1.983 1.00 1.45 H new ATOM 587 N GLN A 399 -10.332 0.196 -1.183 1.00 0.39 N ATOM 588 CA GLN A 399 -10.863 -1.042 -1.754 1.00 0.43 C ATOM 589 C GLN A 399 -9.760 -2.057 -2.037 1.00 0.38 C ATOM 590 O GLN A 399 -8.577 -1.775 -1.849 1.00 0.35 O ATOM 591 CB GLN A 399 -11.637 -0.745 -3.042 1.00 0.49 C ATOM 592 CG GLN A 399 -12.870 0.119 -2.826 1.00 0.60 C ATOM 593 CD GLN A 399 -13.647 0.354 -4.106 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.099 -0.591 -4.753 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.810 1.619 -4.478 1.00 2.04 N ATOM 0 H GLN A 399 -9.455 0.514 -1.595 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.537 -1.477 -1.016 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -10.973 -0.246 -3.748 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -11.939 -1.687 -3.500 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.520 -0.359 -2.093 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.568 1.079 -2.407 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -13.418 2.372 -3.912 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.327 1.838 -5.330 1.00 2.04 H new ATOM 604 N SER A 400 -10.165 -3.245 -2.482 1.00 0.42 N ATOM 605 CA SER A 400 -9.225 -4.318 -2.790 1.00 0.41 C ATOM 606 C SER A 400 -9.896 -5.392 -3.644 1.00 0.47 C ATOM 607 O SER A 400 -11.108 -5.591 -3.562 1.00 0.54 O ATOM 608 CB SER A 400 -8.680 -4.938 -1.504 1.00 0.47 C ATOM 609 OG SER A 400 -9.720 -5.525 -0.741 1.00 0.56 O ATOM 0 H SER A 400 -11.143 -3.488 -2.638 1.00 0.42 H new ATOM 0 HA SER A 400 -8.395 -3.891 -3.353 1.00 0.41 H new ATOM 0 HB2 SER A 400 -7.933 -5.693 -1.749 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.178 -4.173 -0.912 1.00 0.47 H new ATOM 0 HG SER A 400 -9.346 -5.916 0.076 1.00 0.56 H new ATOM 615 N ARG A 401 -9.105 -6.073 -4.472 1.00 0.51 N ATOM 616 CA ARG A 401 -9.637 -7.116 -5.348 1.00 0.60 C ATOM 617 C ARG A 401 -8.567 -8.157 -5.680 1.00 0.73 C ATOM 618 O ARG A 401 -7.442 -7.809 -6.030 1.00 0.86 O ATOM 619 CB ARG A 401 -10.143 -6.486 -6.649 1.00 0.65 C ATOM 620 CG ARG A 401 -9.017 -5.969 -7.533 1.00 0.72 C ATOM 621 CD ARG A 401 -9.531 -5.236 -8.759 1.00 0.91 C ATOM 622 NE ARG A 401 -8.435 -4.877 -9.655 1.00 1.02 N ATOM 623 CZ ARG A 401 -8.591 -4.222 -10.798 1.00 1.25 C ATOM 624 NH1 ARG A 401 -9.798 -3.838 -11.192 1.00 1.55 N ATOM 625 NH2 ARG A 401 -7.534 -3.951 -11.551 1.00 1.43 N ATOM 0 H ARG A 401 -8.100 -5.923 -4.555 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.456 -7.612 -4.826 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -10.723 -7.224 -7.203 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -10.818 -5.664 -6.410 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.382 -5.299 -6.953 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.394 -6.806 -7.849 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.247 -5.865 -9.289 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.063 -4.336 -8.452 1.00 0.91 H new ATOM 0 HE ARG A 401 -7.489 -5.147 -9.385 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -10.613 -4.046 -10.615 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -9.911 -3.335 -12.072 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -6.605 -4.246 -11.251 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -7.650 -3.448 -12.431 1.00 1.43 H new ATOM 639 N THR A 402 -8.931 -9.434 -5.592 1.00 0.82 N ATOM 640 CA THR A 402 -8.002 -10.516 -5.909 1.00 0.99 C ATOM 641 C THR A 402 -7.755 -10.590 -7.406 1.00 1.16 C ATOM 642 O THR A 402 -8.685 -10.500 -8.206 1.00 1.79 O ATOM 643 CB THR A 402 -8.527 -11.880 -5.421 1.00 1.14 C ATOM 644 OG1 THR A 402 -9.829 -12.131 -5.963 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.583 -11.926 -3.904 1.00 1.29 C ATOM 0 H THR A 402 -9.859 -9.744 -5.305 1.00 0.82 H new ATOM 0 HA THR A 402 -7.069 -10.294 -5.391 1.00 0.99 H new ATOM 0 HB THR A 402 -7.840 -12.652 -5.766 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.206 -12.936 -5.550 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.957 -12.898 -3.583 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.584 -11.769 -3.498 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.249 -11.143 -3.541 1.00 1.29 H new ATOM 653 N THR A 403 -6.492 -10.752 -7.776 1.00 1.43 N ATOM 654 CA THR A 403 -6.110 -10.839 -9.176 1.00 1.62 C ATOM 655 C THR A 403 -6.756 -12.065 -9.830 1.00 1.84 C ATOM 656 O THR A 403 -7.574 -12.744 -9.209 1.00 1.85 O ATOM 657 CB THR A 403 -4.577 -10.913 -9.316 1.00 1.77 C ATOM 658 OG1 THR A 403 -3.962 -10.063 -8.340 1.00 1.78 O ATOM 659 CG2 THR A 403 -4.131 -10.472 -10.704 1.00 1.95 C ATOM 0 H THR A 403 -5.713 -10.826 -7.122 1.00 1.43 H new ATOM 0 HA THR A 403 -6.463 -9.941 -9.683 1.00 1.62 H new ATOM 0 HB THR A 403 -4.274 -11.948 -9.161 1.00 1.77 H new ATOM 0 HG1 THR A 403 -3.986 -9.135 -8.653 1.00 1.78 H new ATOM 0 HG21 THR A 403 -3.045 -10.534 -10.774 1.00 1.95 H new ATOM 0 HG22 THR A 403 -4.581 -11.122 -11.454 1.00 1.95 H new ATOM 0 HG23 THR A 403 -4.447 -9.444 -10.878 1.00 1.95 H new ATOM 667 N GLU A 404 -6.395 -12.336 -11.082 1.00 2.08 N ATOM 668 CA GLU A 404 -6.946 -13.470 -11.821 1.00 2.34 C ATOM 669 C GLU A 404 -6.978 -14.740 -10.973 1.00 2.30 C ATOM 670 O GLU A 404 -7.912 -15.535 -11.074 1.00 2.37 O ATOM 671 CB GLU A 404 -6.131 -13.716 -13.092 1.00 2.72 C ATOM 672 CG GLU A 404 -6.148 -12.547 -14.065 1.00 2.91 C ATOM 673 CD GLU A 404 -7.525 -12.283 -14.645 1.00 3.42 C ATOM 674 OE1 GLU A 404 -8.462 -13.050 -14.334 1.00 3.79 O ATOM 675 OE2 GLU A 404 -7.666 -11.312 -15.419 1.00 3.87 O ATOM 0 H GLU A 404 -5.719 -11.782 -11.609 1.00 2.08 H new ATOM 0 HA GLU A 404 -7.973 -13.220 -12.087 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -5.099 -13.932 -12.815 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -6.518 -14.602 -13.595 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -5.796 -11.651 -13.555 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -5.449 -12.746 -14.877 1.00 2.91 H new ATOM 682 N ASN A 405 -5.956 -14.930 -10.142 1.00 2.26 N ATOM 683 CA ASN A 405 -5.880 -16.110 -9.285 1.00 2.30 C ATOM 684 C ASN A 405 -7.110 -16.210 -8.387 1.00 2.07 C ATOM 685 O ASN A 405 -7.750 -17.260 -8.310 1.00 2.40 O ATOM 686 CB ASN A 405 -4.613 -16.070 -8.428 1.00 2.43 C ATOM 687 CG ASN A 405 -4.435 -17.332 -7.606 1.00 2.67 C ATOM 688 OD1 ASN A 405 -4.266 -18.423 -8.152 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.482 -17.192 -6.287 1.00 2.73 N ATOM 0 H ASN A 405 -5.172 -14.285 -10.044 1.00 2.26 H new ATOM 0 HA ASN A 405 -5.846 -16.990 -9.928 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -3.745 -15.933 -9.073 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -4.654 -15.208 -7.762 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.376 -18.007 -5.683 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.624 -16.269 -5.877 1.00 2.73 H new ATOM 696 N ALA A 406 -7.437 -15.109 -7.714 1.00 1.82 N ATOM 697 CA ALA A 406 -8.595 -15.061 -6.825 1.00 1.67 C ATOM 698 C ALA A 406 -8.519 -16.136 -5.745 1.00 1.85 C ATOM 699 O ALA A 406 -9.332 -17.061 -5.712 1.00 2.18 O ATOM 700 CB ALA A 406 -9.882 -15.192 -7.624 1.00 1.72 C ATOM 0 H ALA A 406 -6.914 -14.235 -7.768 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.590 -14.093 -6.324 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.736 -15.154 -6.947 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -9.950 -14.373 -8.340 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -9.884 -16.142 -8.158 1.00 1.72 H new ATOM 706 N ALA A 407 -7.536 -16.004 -4.861 1.00 1.91 N ATOM 707 CA ALA A 407 -7.343 -16.955 -3.773 1.00 2.19 C ATOM 708 C ALA A 407 -6.450 -16.355 -2.690 1.00 2.37 C ATOM 709 O ALA A 407 -6.501 -16.760 -1.528 1.00 2.77 O ATOM 710 CB ALA A 407 -6.755 -18.255 -4.300 1.00 2.38 C ATOM 0 H ALA A 407 -6.857 -15.243 -4.877 1.00 1.91 H new ATOM 0 HA ALA A 407 -8.314 -17.176 -3.329 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.618 -18.953 -3.474 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.433 -18.690 -5.034 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.792 -18.055 -4.770 1.00 2.38 H new ATOM 716 N ALA A 408 -5.646 -15.373 -3.085 1.00 2.15 N ATOM 717 CA ALA A 408 -4.744 -14.688 -2.163 1.00 2.35 C ATOM 718 C ALA A 408 -4.322 -13.330 -2.728 1.00 2.05 C ATOM 719 O ALA A 408 -4.466 -12.308 -2.058 1.00 1.99 O ATOM 720 CB ALA A 408 -3.524 -15.543 -1.851 1.00 2.76 C ATOM 0 H ALA A 408 -5.600 -15.031 -4.045 1.00 2.15 H new ATOM 0 HA ALA A 408 -5.283 -14.520 -1.230 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.871 -15.007 -1.162 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.843 -16.480 -1.394 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.983 -15.755 -2.773 1.00 2.76 H new ATOM 726 N PRO A 409 -3.811 -13.288 -3.979 1.00 1.99 N ATOM 727 CA PRO A 409 -3.402 -12.033 -4.613 1.00 1.80 C ATOM 728 C PRO A 409 -4.529 -11.026 -4.617 1.00 1.41 C ATOM 729 O PRO A 409 -5.692 -11.407 -4.670 1.00 1.86 O ATOM 730 CB PRO A 409 -3.062 -12.439 -6.047 1.00 2.10 C ATOM 731 CG PRO A 409 -2.733 -13.888 -5.962 1.00 2.49 C ATOM 732 CD PRO A 409 -3.610 -14.443 -4.875 1.00 2.27 C ATOM 0 HA PRO A 409 -2.572 -11.561 -4.088 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -3.902 -12.263 -6.718 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -2.220 -11.864 -6.432 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -2.923 -14.389 -6.911 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -1.679 -14.037 -5.728 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -4.555 -14.814 -5.271 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.132 -15.275 -4.358 1.00 2.27 H new ATOM 740 N ASP A 410 -4.184 -9.745 -4.553 1.00 0.92 N ATOM 741 CA ASP A 410 -5.188 -8.690 -4.547 1.00 0.79 C ATOM 742 C ASP A 410 -4.548 -7.307 -4.491 1.00 0.68 C ATOM 743 O ASP A 410 -3.527 -7.105 -3.833 1.00 0.93 O ATOM 744 CB ASP A 410 -6.157 -8.878 -3.376 1.00 1.18 C ATOM 745 CG ASP A 410 -5.449 -9.021 -2.042 1.00 1.62 C ATOM 746 OD1 ASP A 410 -4.201 -8.980 -2.027 1.00 1.99 O ATOM 747 OD2 ASP A 410 -6.139 -9.171 -1.012 1.00 2.14 O ATOM 0 H ASP A 410 -3.220 -9.414 -4.505 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.746 -8.760 -5.481 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.836 -8.026 -3.332 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.768 -9.763 -3.554 1.00 1.18 H new ATOM 752 N GLU A 411 -5.165 -6.355 -5.189 1.00 0.54 N ATOM 753 CA GLU A 411 -4.674 -4.983 -5.230 1.00 0.45 C ATOM 754 C GLU A 411 -5.579 -4.085 -4.399 1.00 0.40 C ATOM 755 O GLU A 411 -6.802 -4.192 -4.468 1.00 0.42 O ATOM 756 CB GLU A 411 -4.624 -4.461 -6.669 1.00 0.49 C ATOM 757 CG GLU A 411 -3.474 -5.002 -7.511 1.00 0.58 C ATOM 758 CD GLU A 411 -3.582 -6.486 -7.807 1.00 1.47 C ATOM 759 OE1 GLU A 411 -3.369 -7.290 -6.877 1.00 2.08 O ATOM 760 OE2 GLU A 411 -3.876 -6.844 -8.964 1.00 2.10 O ATOM 0 H GLU A 411 -6.011 -6.513 -5.736 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.664 -4.971 -4.820 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.564 -4.709 -7.162 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.555 -3.373 -6.643 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.436 -4.454 -8.453 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -2.534 -4.811 -6.993 1.00 0.58 H new ATOM 767 N TYR A 412 -4.973 -3.221 -3.594 1.00 0.38 N ATOM 768 CA TYR A 412 -5.727 -2.328 -2.723 1.00 0.35 C ATOM 769 C TYR A 412 -5.640 -0.873 -3.183 1.00 0.33 C ATOM 770 O TYR A 412 -4.550 -0.335 -3.370 1.00 0.34 O ATOM 771 CB TYR A 412 -5.205 -2.431 -1.289 1.00 0.39 C ATOM 772 CG TYR A 412 -5.263 -3.822 -0.689 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.672 -4.897 -1.338 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.921 -4.061 0.511 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.733 -6.171 -0.807 1.00 0.58 C ATOM 776 CE2 TYR A 412 -5.983 -5.329 1.050 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.354 -6.363 0.431 1.00 0.62 C ATOM 778 OH TYR A 412 -5.451 -7.646 0.919 1.00 0.72 O ATOM 0 H TYR A 412 -3.960 -3.120 -3.526 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.771 -2.638 -2.768 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.172 -2.084 -1.268 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.781 -1.754 -0.658 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.156 -4.735 -2.273 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.392 -3.240 1.031 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.307 -7.007 -1.341 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.532 -5.501 1.964 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.005 -8.184 0.316 1.00 0.72 H new ATOM 788 N TYR A 413 -6.798 -0.235 -3.329 1.00 0.33 N ATOM 789 CA TYR A 413 -6.860 1.165 -3.732 1.00 0.32 C ATOM 790 C TYR A 413 -6.225 2.041 -2.658 1.00 0.32 C ATOM 791 O TYR A 413 -6.378 1.769 -1.468 1.00 0.40 O ATOM 792 CB TYR A 413 -8.316 1.582 -3.949 1.00 0.36 C ATOM 793 CG TYR A 413 -8.484 2.991 -4.480 1.00 0.38 C ATOM 794 CD1 TYR A 413 -7.583 3.517 -5.397 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.535 3.798 -4.059 1.00 0.44 C ATOM 796 CE1 TYR A 413 -7.726 4.804 -5.883 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.686 5.085 -4.540 1.00 0.48 C ATOM 798 CZ TYR A 413 -8.804 5.578 -5.457 1.00 0.46 C ATOM 799 OH TYR A 413 -8.927 6.863 -5.934 1.00 0.51 O ATOM 0 H TYR A 413 -7.708 -0.668 -3.173 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.312 1.291 -4.666 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -8.782 0.885 -4.645 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -8.852 1.495 -3.004 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -6.756 2.910 -5.736 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.246 3.412 -3.343 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.010 5.205 -6.585 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.502 5.700 -4.190 1.00 0.48 H new ATOM 0 HH TYR A 413 -9.727 7.279 -5.550 1.00 0.51 H new ATOM 809 N VAL A 414 -5.498 3.080 -3.067 1.00 0.33 N ATOM 810 CA VAL A 414 -4.844 3.949 -2.094 1.00 0.33 C ATOM 811 C VAL A 414 -5.066 5.435 -2.371 1.00 0.29 C ATOM 812 O VAL A 414 -4.887 5.911 -3.492 1.00 0.38 O ATOM 813 CB VAL A 414 -3.329 3.688 -2.042 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.674 4.554 -0.978 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.048 2.217 -1.789 1.00 1.15 C ATOM 0 H VAL A 414 -5.350 3.336 -4.043 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.304 3.705 -1.137 1.00 0.33 H new ATOM 0 HB VAL A 414 -2.901 3.954 -3.008 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.602 4.355 -0.956 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -2.843 5.606 -1.210 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.106 4.323 -0.004 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.971 2.053 -1.756 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.490 1.921 -0.838 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.481 1.620 -2.592 1.00 1.15 H new ATOM 825 N HIS A 415 -5.422 6.159 -1.311 1.00 0.33 N ATOM 826 CA HIS A 415 -5.635 7.599 -1.376 1.00 0.32 C ATOM 827 C HIS A 415 -4.604 8.302 -0.496 1.00 0.32 C ATOM 828 O HIS A 415 -4.836 8.515 0.694 1.00 0.34 O ATOM 829 CB HIS A 415 -7.049 7.956 -0.908 1.00 0.37 C ATOM 830 CG HIS A 415 -7.292 9.431 -0.797 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.070 10.315 -1.834 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.742 10.176 0.239 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.372 11.539 -1.438 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.782 11.481 -0.186 1.00 0.62 N ATOM 0 H HIS A 415 -5.570 5.761 -0.384 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.521 7.928 -2.409 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.771 7.529 -1.604 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.229 7.493 0.062 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.727 10.063 -2.761 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -8.018 9.812 1.218 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.296 12.434 -2.037 1.00 0.60 H new ATOM 843 N TYR A 416 -3.459 8.641 -1.081 1.00 0.37 N ATOM 844 CA TYR A 416 -2.389 9.298 -0.336 1.00 0.40 C ATOM 845 C TYR A 416 -2.886 10.578 0.328 1.00 0.45 C ATOM 846 O TYR A 416 -3.468 11.446 -0.325 1.00 0.57 O ATOM 847 CB TYR A 416 -1.204 9.608 -1.255 1.00 0.46 C ATOM 848 CG TYR A 416 -0.542 8.376 -1.839 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.227 7.534 -2.706 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.775 8.060 -1.526 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.623 6.414 -3.243 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.387 6.941 -2.059 1.00 0.54 C ATOM 853 CZ TYR A 416 0.684 6.122 -2.916 1.00 0.57 C ATOM 854 OH TYR A 416 1.291 5.008 -3.448 1.00 0.65 O ATOM 0 H TYR A 416 -3.248 8.473 -2.065 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.059 8.613 0.445 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.546 10.246 -2.070 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.462 10.177 -0.695 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.251 7.759 -2.965 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.329 8.700 -0.855 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.171 5.771 -3.915 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.411 6.710 -1.805 1.00 0.54 H new ATOM 0 HH TYR A 416 2.212 4.948 -3.117 1.00 0.65 H new ATOM 864 N VAL A 417 -2.654 10.686 1.634 1.00 0.45 N ATOM 865 CA VAL A 417 -3.079 11.855 2.396 1.00 0.55 C ATOM 866 C VAL A 417 -2.256 13.082 2.034 1.00 0.66 C ATOM 867 O VAL A 417 -1.028 13.054 2.083 1.00 1.34 O ATOM 868 CB VAL A 417 -2.969 11.608 3.911 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.449 12.822 4.693 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.762 10.376 4.299 1.00 1.01 C ATOM 0 H VAL A 417 -2.173 9.976 2.187 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.123 12.034 2.137 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.921 11.441 4.158 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.362 12.624 5.761 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.839 13.687 4.433 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.491 13.026 4.445 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.676 10.212 5.373 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.810 10.520 4.036 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.371 9.509 3.767 1.00 1.01 H new ATOM 880 N GLY A 418 -2.946 14.158 1.687 1.00 0.71 N ATOM 881 CA GLY A 418 -2.272 15.395 1.327 1.00 0.82 C ATOM 882 C GLY A 418 -1.672 15.365 -0.069 1.00 0.72 C ATOM 883 O GLY A 418 -1.764 16.346 -0.809 1.00 0.76 O ATOM 0 H GLY A 418 -3.964 14.200 1.647 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.981 16.220 1.393 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -1.482 15.595 2.051 1.00 0.82 H new ATOM 887 N LEU A 419 -1.052 14.243 -0.431 1.00 0.66 N ATOM 888 CA LEU A 419 -0.433 14.096 -1.744 1.00 0.60 C ATOM 889 C LEU A 419 -1.454 14.274 -2.863 1.00 0.59 C ATOM 890 O LEU A 419 -2.657 14.105 -2.656 1.00 0.76 O ATOM 891 CB LEU A 419 0.257 12.733 -1.868 1.00 0.58 C ATOM 892 CG LEU A 419 1.554 12.583 -1.063 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.277 12.612 0.430 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.276 11.300 -1.444 1.00 1.40 C ATOM 0 H LEU A 419 -0.966 13.422 0.169 1.00 0.66 H new ATOM 0 HA LEU A 419 0.318 14.880 -1.844 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.442 11.959 -1.549 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.477 12.549 -2.920 1.00 0.58 H new ATOM 0 HG LEU A 419 2.198 13.429 -1.305 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.214 12.504 0.976 1.00 1.60 H new ATOM 0 HD12 LEU A 419 0.810 13.561 0.695 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.608 11.793 0.692 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.193 11.212 -0.862 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.632 10.445 -1.238 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.521 11.322 -2.506 1.00 1.40 H new ATOM 906 N ASN A 420 -0.960 14.633 -4.046 1.00 0.61 N ATOM 907 CA ASN A 420 -1.811 14.857 -5.211 1.00 0.63 C ATOM 908 C ASN A 420 -2.782 13.698 -5.431 1.00 0.56 C ATOM 909 O ASN A 420 -2.448 12.535 -5.199 1.00 0.56 O ATOM 910 CB ASN A 420 -0.948 15.066 -6.458 1.00 0.75 C ATOM 911 CG ASN A 420 -0.007 13.910 -6.709 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.441 12.780 -6.909 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.292 14.189 -6.701 1.00 1.98 N ATOM 0 H ASN A 420 0.034 14.776 -4.223 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.402 15.754 -5.025 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -1.594 15.199 -7.325 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.370 15.984 -6.347 1.00 0.75 H new ATOM 0 HD21 ASN A 420 1.974 13.448 -6.866 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.608 15.144 -6.530 1.00 1.98 H new ATOM 920 N ARG A 421 -3.992 14.036 -5.870 1.00 0.62 N ATOM 921 CA ARG A 421 -5.038 13.046 -6.116 1.00 0.67 C ATOM 922 C ARG A 421 -4.645 12.064 -7.217 1.00 0.66 C ATOM 923 O ARG A 421 -4.987 10.884 -7.152 1.00 0.69 O ATOM 924 CB ARG A 421 -6.344 13.749 -6.488 1.00 0.87 C ATOM 925 CG ARG A 421 -6.846 14.701 -5.414 1.00 1.09 C ATOM 926 CD ARG A 421 -8.106 15.427 -5.857 1.00 1.51 C ATOM 927 NE ARG A 421 -8.587 16.358 -4.838 1.00 2.25 N ATOM 928 CZ ARG A 421 -7.898 17.414 -4.413 1.00 3.00 C ATOM 929 NH1 ARG A 421 -6.709 17.691 -4.932 1.00 3.28 N ATOM 930 NH2 ARG A 421 -8.402 18.198 -3.470 1.00 3.98 N ATOM 0 H ARG A 421 -4.274 14.997 -6.064 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.176 12.476 -5.197 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.198 14.304 -7.415 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.109 12.998 -6.683 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -7.048 14.144 -4.499 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.069 15.429 -5.179 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.906 15.971 -6.780 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.885 14.698 -6.079 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.506 16.188 -4.428 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -6.319 17.093 -5.661 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -6.185 18.502 -4.603 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -9.318 17.992 -3.071 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -7.874 19.008 -3.144 1.00 3.98 H new ATOM 944 N ARG A 422 -3.939 12.555 -8.232 1.00 0.71 N ATOM 945 CA ARG A 422 -3.515 11.710 -9.347 1.00 0.83 C ATOM 946 C ARG A 422 -2.749 10.486 -8.847 1.00 0.72 C ATOM 947 O ARG A 422 -2.780 9.425 -9.470 1.00 0.77 O ATOM 948 CB ARG A 422 -2.651 12.507 -10.327 1.00 1.01 C ATOM 949 CG ARG A 422 -1.378 13.062 -9.710 1.00 1.19 C ATOM 950 CD ARG A 422 -0.546 13.818 -10.735 1.00 1.49 C ATOM 951 NE ARG A 422 -0.146 12.968 -11.855 1.00 2.09 N ATOM 952 CZ ARG A 422 0.725 11.967 -11.754 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.345 11.729 -10.605 1.00 3.07 N ATOM 954 NH2 ARG A 422 0.993 11.213 -12.812 1.00 3.71 N ATOM 0 H ARG A 422 -3.649 13.530 -8.306 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.410 11.366 -9.866 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.387 11.866 -11.168 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.239 13.332 -10.728 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.632 13.727 -8.884 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.789 12.246 -9.292 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.118 14.666 -11.111 1.00 1.49 H new ATOM 0 HD3 ARG A 422 0.343 14.222 -10.252 1.00 1.49 H new ATOM 0 HE ARG A 422 -0.559 13.153 -12.769 1.00 2.09 H new ATOM 0 HH11 ARG A 422 1.155 12.315 -9.792 1.00 3.07 H new ATOM 0 HH12 ARG A 422 2.011 10.960 -10.535 1.00 3.07 H new ATOM 0 HH21 ARG A 422 0.532 11.401 -13.702 1.00 3.71 H new ATOM 0 HH22 ARG A 422 1.661 10.446 -12.735 1.00 3.71 H new ATOM 968 N LEU A 423 -2.065 10.643 -7.718 1.00 0.65 N ATOM 969 CA LEU A 423 -1.293 9.561 -7.125 1.00 0.62 C ATOM 970 C LEU A 423 -2.178 8.362 -6.796 1.00 0.52 C ATOM 971 O LEU A 423 -1.726 7.217 -6.849 1.00 0.53 O ATOM 972 CB LEU A 423 -0.592 10.062 -5.865 1.00 0.69 C ATOM 973 CG LEU A 423 0.936 9.949 -5.874 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.523 10.631 -7.102 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.513 10.554 -4.605 1.00 1.49 C ATOM 0 H LEU A 423 -2.031 11.517 -7.193 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.548 9.234 -7.850 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.861 11.107 -5.711 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.976 9.505 -5.010 1.00 0.69 H new ATOM 0 HG LEU A 423 1.202 8.893 -5.913 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.609 10.537 -7.086 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.131 10.158 -8.003 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.250 11.686 -7.098 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.599 10.468 -4.622 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.233 11.606 -4.543 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.121 10.023 -3.738 1.00 1.49 H new ATOM 987 N ASP A 424 -3.439 8.632 -6.456 1.00 0.49 N ATOM 988 CA ASP A 424 -4.390 7.575 -6.118 1.00 0.50 C ATOM 989 C ASP A 424 -4.335 6.440 -7.134 1.00 0.45 C ATOM 990 O ASP A 424 -4.302 6.673 -8.342 1.00 0.49 O ATOM 991 CB ASP A 424 -5.811 8.134 -6.052 1.00 0.66 C ATOM 992 CG ASP A 424 -6.030 9.026 -4.847 1.00 0.81 C ATOM 993 OD1 ASP A 424 -5.301 10.029 -4.708 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.933 8.718 -4.042 1.00 1.20 O ATOM 0 H ASP A 424 -3.825 9.575 -6.408 1.00 0.49 H new ATOM 0 HA ASP A 424 -4.112 7.181 -5.140 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.018 8.700 -6.961 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.522 7.308 -6.022 1.00 0.66 H new ATOM 999 N GLY A 425 -4.319 5.211 -6.631 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.262 4.053 -7.501 1.00 0.50 C ATOM 1001 C GLY A 425 -4.152 2.757 -6.725 1.00 0.45 C ATOM 1002 O GLY A 425 -3.676 2.744 -5.588 1.00 0.70 O ATOM 0 H GLY A 425 -4.345 4.996 -5.634 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.155 4.026 -8.125 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.408 4.146 -8.171 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.596 1.664 -7.337 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.541 0.358 -6.695 1.00 0.44 C ATOM 1008 C TRP A 426 -3.097 -0.132 -6.609 1.00 0.45 C ATOM 1009 O TRP A 426 -2.327 0.011 -7.560 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.400 -0.657 -7.458 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.845 -0.275 -7.552 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.362 0.894 -8.024 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.959 -1.074 -7.157 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.734 0.870 -7.948 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.125 -0.332 -7.416 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.077 -2.349 -6.607 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.397 -0.829 -7.144 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.339 -2.842 -6.336 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.486 -2.083 -6.604 1.00 0.59 C ATOM 0 H TRP A 426 -4.997 1.658 -8.275 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.939 0.457 -5.685 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.999 -0.775 -8.465 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.321 -1.627 -6.968 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.778 1.720 -8.403 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.358 1.622 -8.239 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.198 -2.941 -6.397 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.282 -0.245 -7.352 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.443 -3.829 -5.910 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.459 -2.496 -6.380 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.733 -0.704 -5.465 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.379 -1.209 -5.255 1.00 0.46 C ATOM 1032 C VAL A 427 -1.407 -2.556 -4.541 1.00 0.51 C ATOM 1033 O VAL A 427 -2.216 -2.772 -3.641 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.524 -0.226 -4.424 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.564 1.166 -5.027 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -0.987 -0.191 -2.977 1.00 0.85 C ATOM 0 H VAL A 427 -3.357 -0.830 -4.668 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.930 -1.322 -6.242 1.00 0.46 H new ATOM 0 HB VAL A 427 0.507 -0.580 -4.444 1.00 0.64 H new ATOM 0 HG11 VAL A 427 0.045 1.841 -4.425 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.173 1.133 -6.044 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.593 1.525 -5.046 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.369 0.508 -2.414 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.028 0.130 -2.936 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -0.897 -1.186 -2.542 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.518 -3.455 -4.947 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.459 -4.767 -4.332 1.00 0.65 C ATOM 1048 C GLY A 428 -0.411 -4.695 -2.817 1.00 0.79 C ATOM 1049 O GLY A 428 0.090 -3.722 -2.254 1.00 1.72 O ATOM 0 H GLY A 428 0.162 -3.299 -5.691 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.329 -5.348 -4.638 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.422 -5.296 -4.696 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.943 -5.722 -2.162 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.969 -5.778 -0.702 1.00 0.54 C ATOM 1055 C ARG A 429 0.400 -5.460 -0.106 1.00 0.49 C ATOM 1056 O ARG A 429 0.496 -4.744 0.890 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.442 -7.160 -0.239 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.100 -7.486 1.207 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.776 -6.527 2.178 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.479 -6.856 3.572 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.276 -6.729 4.127 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.732 -6.217 3.434 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.086 -7.099 5.386 1.00 1.65 N ATOM 0 H ARG A 429 -1.364 -6.530 -2.620 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.669 -5.021 -0.348 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.522 -7.223 -0.368 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.999 -7.918 -0.885 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.407 -8.507 1.432 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.020 -7.441 1.344 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.448 -5.509 1.968 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.854 -6.553 2.021 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.241 -7.204 4.154 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.588 -5.918 2.470 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.651 -6.122 3.865 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.861 -7.480 5.928 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.835 -7.002 5.812 1.00 1.65 H new ATOM 1077 N HIS A 430 1.452 -6.000 -0.713 1.00 0.49 N ATOM 1078 CA HIS A 430 2.809 -5.773 -0.225 1.00 0.53 C ATOM 1079 C HIS A 430 3.126 -4.284 -0.129 1.00 0.47 C ATOM 1080 O HIS A 430 3.894 -3.860 0.735 1.00 0.49 O ATOM 1081 CB HIS A 430 3.832 -6.457 -1.131 1.00 0.65 C ATOM 1082 CG HIS A 430 3.770 -6.016 -2.562 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.659 -6.192 -3.359 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.697 -5.409 -3.341 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.906 -5.715 -4.567 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.134 -5.233 -4.581 1.00 1.46 N ATOM 0 H HIS A 430 1.393 -6.595 -1.539 1.00 0.49 H new ATOM 0 HA HIS A 430 2.869 -6.204 0.774 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.832 -6.262 -0.744 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.678 -7.535 -1.087 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.693 -5.118 -3.043 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.219 -5.719 -5.401 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.591 -4.800 -5.383 1.00 1.46 H new ATOM 1095 N ARG A 431 2.535 -3.491 -1.017 1.00 0.43 N ATOM 1096 CA ARG A 431 2.767 -2.054 -1.019 1.00 0.41 C ATOM 1097 C ARG A 431 1.899 -1.353 0.021 1.00 0.37 C ATOM 1098 O ARG A 431 1.666 -0.154 -0.073 1.00 0.57 O ATOM 1099 CB ARG A 431 2.484 -1.466 -2.403 1.00 0.44 C ATOM 1100 CG ARG A 431 3.264 -2.136 -3.522 1.00 0.53 C ATOM 1101 CD ARG A 431 2.947 -1.513 -4.873 1.00 0.64 C ATOM 1102 NE ARG A 431 3.224 -0.078 -4.890 1.00 1.39 N ATOM 1103 CZ ARG A 431 2.994 0.709 -5.938 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.465 0.212 -7.049 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.288 2.000 -5.873 1.00 2.84 N ATOM 0 H ARG A 431 1.895 -3.819 -1.741 1.00 0.43 H new ATOM 0 HA ARG A 431 3.814 -1.890 -0.765 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.418 -1.551 -2.613 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.722 -0.402 -2.392 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.332 -2.052 -3.323 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.027 -3.200 -3.546 1.00 0.53 H new ATOM 0 HD2 ARG A 431 3.536 -2.006 -5.647 1.00 0.64 H new ATOM 0 HD3 ARG A 431 1.898 -1.683 -5.114 1.00 0.64 H new ATOM 0 HE ARG A 431 3.617 0.345 -4.049 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.232 -0.779 -7.104 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.292 0.822 -7.848 1.00 2.55 H new ATOM 0 HH21 ARG A 431 3.690 2.389 -5.020 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.112 2.604 -6.676 1.00 2.84 H new ATOM 1119 N ILE A 432 1.428 -2.102 1.016 1.00 0.39 N ATOM 1120 CA ILE A 432 0.590 -1.533 2.073 1.00 0.36 C ATOM 1121 C ILE A 432 0.776 -2.291 3.382 1.00 0.38 C ATOM 1122 O ILE A 432 0.625 -3.511 3.431 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.909 -1.542 1.691 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.156 -0.637 0.480 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.764 -1.100 2.872 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.581 -0.664 -0.026 1.00 0.46 C ATOM 0 H ILE A 432 1.611 -3.101 1.114 1.00 0.39 H new ATOM 0 HA ILE A 432 0.908 -0.498 2.201 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.192 -2.560 1.425 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.895 0.387 0.745 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.488 -0.937 -0.328 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.815 -1.112 2.585 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.608 -1.781 3.709 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.481 -0.090 3.168 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.675 0.002 -0.884 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -2.842 -1.679 -0.324 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.254 -0.334 0.765 1.00 0.46 H new ATOM 1138 N SER A 433 1.100 -1.553 4.438 1.00 0.34 N ATOM 1139 CA SER A 433 1.311 -2.139 5.757 1.00 0.38 C ATOM 1140 C SER A 433 1.319 -1.057 6.831 1.00 0.36 C ATOM 1141 O SER A 433 1.822 0.045 6.613 1.00 0.34 O ATOM 1142 CB SER A 433 2.635 -2.908 5.801 1.00 0.41 C ATOM 1143 OG SER A 433 2.642 -3.979 4.873 1.00 0.53 O ATOM 0 H SER A 433 1.223 -0.541 4.405 1.00 0.34 H new ATOM 0 HA SER A 433 0.490 -2.829 5.951 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.459 -2.229 5.582 1.00 0.41 H new ATOM 0 HB3 SER A 433 2.800 -3.295 6.807 1.00 0.41 H new ATOM 0 HG SER A 433 1.735 -4.119 4.528 1.00 0.53 H new ATOM 1149 N ASP A 434 0.765 -1.383 7.995 1.00 0.43 N ATOM 1150 CA ASP A 434 0.714 -0.446 9.113 1.00 0.48 C ATOM 1151 C ASP A 434 2.103 -0.221 9.713 1.00 0.48 C ATOM 1152 O ASP A 434 2.232 0.294 10.824 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.250 -0.957 10.185 1.00 0.60 C ATOM 1154 CG ASP A 434 -1.700 -0.764 9.802 1.00 0.83 C ATOM 1155 OD1 ASP A 434 -2.107 0.397 9.586 1.00 1.35 O ATOM 1156 OD2 ASP A 434 -2.428 -1.775 9.715 1.00 1.12 O ATOM 0 H ASP A 434 0.344 -2.292 8.189 1.00 0.43 H new ATOM 0 HA ASP A 434 0.353 0.511 8.735 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.063 -2.016 10.362 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.053 -0.437 11.123 1.00 0.60 H new ATOM 1161 N ASN A 435 3.140 -0.602 8.969 1.00 0.43 N ATOM 1162 CA ASN A 435 4.517 -0.435 9.422 1.00 0.47 C ATOM 1163 C ASN A 435 5.478 -0.452 8.236 1.00 0.39 C ATOM 1164 O ASN A 435 5.441 -1.360 7.404 1.00 0.38 O ATOM 1165 CB ASN A 435 4.891 -1.534 10.420 1.00 0.59 C ATOM 1166 CG ASN A 435 4.755 -2.925 9.833 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.675 -3.328 9.400 1.00 2.16 O ATOM 1168 ND2 ASN A 435 5.854 -3.670 9.817 1.00 1.81 N ATOM 0 H ASN A 435 3.051 -1.030 8.047 1.00 0.43 H new ATOM 0 HA ASN A 435 4.597 0.531 9.921 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.918 -1.383 10.753 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.255 -1.452 11.301 1.00 0.59 H new ATOM 0 HD21 ASN A 435 5.824 -4.615 9.436 1.00 1.81 H new ATOM 0 HD22 ASN A 435 6.729 -3.297 10.186 1.00 1.81 H new ATOM 1175 N ALA A 436 6.328 0.567 8.161 1.00 0.49 N ATOM 1176 CA ALA A 436 7.296 0.692 7.077 1.00 0.55 C ATOM 1177 C ALA A 436 8.372 -0.389 7.147 1.00 0.55 C ATOM 1178 O ALA A 436 8.985 -0.726 6.135 1.00 0.54 O ATOM 1179 CB ALA A 436 7.935 2.072 7.105 1.00 0.75 C ATOM 0 H ALA A 436 6.366 1.324 8.844 1.00 0.49 H new ATOM 0 HA ALA A 436 6.759 0.560 6.138 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.656 2.156 6.292 1.00 0.75 H new ATOM 0 HB2 ALA A 436 7.164 2.833 6.985 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.444 2.218 8.058 1.00 0.75 H new ATOM 1185 N ASP A 437 8.607 -0.913 8.347 1.00 0.65 N ATOM 1186 CA ASP A 437 9.624 -1.942 8.553 1.00 0.75 C ATOM 1187 C ASP A 437 9.519 -3.055 7.510 1.00 0.71 C ATOM 1188 O ASP A 437 10.533 -3.531 6.999 1.00 0.78 O ATOM 1189 CB ASP A 437 9.500 -2.535 9.957 1.00 0.92 C ATOM 1190 CG ASP A 437 9.687 -1.495 11.044 1.00 1.02 C ATOM 1191 OD1 ASP A 437 8.893 -0.532 11.087 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.626 -1.644 11.853 1.00 1.34 O ATOM 0 H ASP A 437 8.106 -0.642 9.193 1.00 0.65 H new ATOM 0 HA ASP A 437 10.599 -1.467 8.443 1.00 0.75 H new ATOM 0 HB2 ASP A 437 8.520 -2.999 10.067 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.242 -3.324 10.082 1.00 0.92 H new ATOM 1197 N ASP A 438 8.294 -3.459 7.195 1.00 0.68 N ATOM 1198 CA ASP A 438 8.068 -4.510 6.208 1.00 0.73 C ATOM 1199 C ASP A 438 8.106 -3.945 4.791 1.00 0.73 C ATOM 1200 O ASP A 438 8.673 -4.553 3.882 1.00 1.35 O ATOM 1201 CB ASP A 438 6.726 -5.201 6.460 1.00 0.88 C ATOM 1202 CG ASP A 438 6.671 -5.892 7.810 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.678 -5.831 8.548 1.00 1.56 O ATOM 1204 OD2 ASP A 438 5.623 -6.491 8.131 1.00 1.36 O ATOM 0 H ASP A 438 7.443 -3.076 7.607 1.00 0.68 H new ATOM 0 HA ASP A 438 8.868 -5.243 6.309 1.00 0.73 H new ATOM 0 HB2 ASP A 438 5.925 -4.464 6.400 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.545 -5.933 5.673 1.00 0.88 H new ATOM 1209 N LEU A 439 7.494 -2.778 4.617 1.00 0.54 N ATOM 1210 CA LEU A 439 7.442 -2.112 3.317 1.00 0.53 C ATOM 1211 C LEU A 439 8.840 -1.919 2.728 1.00 0.61 C ATOM 1212 O LEU A 439 9.294 -2.724 1.914 1.00 0.86 O ATOM 1213 CB LEU A 439 6.734 -0.763 3.454 1.00 0.52 C ATOM 1214 CG LEU A 439 5.243 -0.842 3.781 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.751 0.492 4.308 1.00 1.12 C ATOM 1216 CD2 LEU A 439 4.447 -1.240 2.551 1.00 1.10 C ATOM 0 H LEU A 439 7.023 -2.269 5.365 1.00 0.54 H new ATOM 0 HA LEU A 439 6.881 -2.749 2.633 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.231 -0.187 4.235 1.00 0.52 H new ATOM 0 HB3 LEU A 439 6.857 -0.210 2.523 1.00 0.52 H new ATOM 0 HG LEU A 439 5.099 -1.602 4.549 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.688 0.423 4.537 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.301 0.751 5.213 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.910 1.262 3.553 1.00 1.12 H new ATOM 0 HD21 LEU A 439 3.388 -1.291 2.804 1.00 1.10 H new ATOM 0 HD22 LEU A 439 4.597 -0.500 1.765 1.00 1.10 H new ATOM 0 HD23 LEU A 439 4.783 -2.215 2.200 1.00 1.10 H new ATOM 1228 N GLY A 440 9.515 -0.849 3.139 1.00 0.59 N ATOM 1229 CA GLY A 440 10.848 -0.572 2.637 1.00 0.77 C ATOM 1230 C GLY A 440 11.640 0.311 3.576 1.00 0.96 C ATOM 1231 O GLY A 440 12.381 1.190 3.133 1.00 1.36 O ATOM 0 H GLY A 440 9.161 -0.169 3.812 1.00 0.59 H new ATOM 0 HA2 GLY A 440 11.381 -1.511 2.488 1.00 0.77 H new ATOM 0 HA3 GLY A 440 10.774 -0.089 1.662 1.00 0.77 H new ATOM 1235 N GLY A 441 11.482 0.081 4.878 1.00 0.93 N ATOM 1236 CA GLY A 441 12.191 0.876 5.861 1.00 1.24 C ATOM 1237 C GLY A 441 11.740 2.321 5.861 1.00 1.14 C ATOM 1238 O GLY A 441 11.397 2.866 4.812 1.00 1.83 O ATOM 0 H GLY A 441 10.876 -0.641 5.267 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.036 0.449 6.852 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.261 0.831 5.659 1.00 1.24 H new ATOM 1242 N ILE A 442 11.737 2.948 7.035 1.00 1.10 N ATOM 1243 CA ILE A 442 11.325 4.341 7.143 1.00 1.03 C ATOM 1244 C ILE A 442 12.031 5.176 6.083 1.00 1.05 C ATOM 1245 O ILE A 442 13.257 5.294 6.089 1.00 1.39 O ATOM 1246 CB ILE A 442 11.637 4.916 8.541 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.909 4.116 9.626 1.00 1.41 C ATOM 1248 CG2 ILE A 442 11.253 6.389 8.612 1.00 1.38 C ATOM 1249 CD1 ILE A 442 9.399 4.149 9.505 1.00 1.48 C ATOM 0 H ILE A 442 12.013 2.516 7.917 1.00 1.10 H new ATOM 0 HA ILE A 442 10.247 4.381 6.989 1.00 1.03 H new ATOM 0 HB ILE A 442 12.710 4.833 8.715 1.00 1.26 H new ATOM 0 HG12 ILE A 442 11.244 3.080 9.586 1.00 1.41 H new ATOM 0 HG13 ILE A 442 11.194 4.505 10.603 1.00 1.41 H new ATOM 0 HG21 ILE A 442 11.480 6.777 9.605 1.00 1.38 H new ATOM 0 HG22 ILE A 442 11.817 6.948 7.866 1.00 1.38 H new ATOM 0 HG23 ILE A 442 10.186 6.497 8.416 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.957 3.560 10.308 1.00 1.48 H new ATOM 0 HD12 ILE A 442 9.051 5.179 9.576 1.00 1.48 H new ATOM 0 HD13 ILE A 442 9.102 3.731 8.543 1.00 1.48 H new