USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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= -0.0652 K(o=0.0039,f=-0.53) USER MOD Set 1.2: A 415 HIS : no HE2:sc= 0.0691 K(o=0.0039,f=-3.2!) USER MOD Set 2.1: A 378 ASN : amide:sc= -6.41! K(o=-5.9!,f=-3.4) USER MOD Set 2.2: A 383 TYR OH : rot 180:sc= 0.508 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 165:sc= -0.0756 (180deg=-0.366) USER MOD Single : A 391 THR OG1 : rot -69:sc= -0.579! USER MOD Single : A 393 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.32) 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 -150:sc= -0.022 USER MOD Single : A 403 THR OG1 : rot -42:sc= -0.541! USER MOD Single : A 405 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.48) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 430 HIS : no HE2:sc= -0.215 K(o=-0.21,f=-6.2!) USER MOD Single : A 433 SER OG : rot -5:sc= 0.976 USER MOD Single : A 435 ASN : amide:sc= -0.943 X(o=-0.94,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -8.104 -7.887 3.970 1.00 1.42 N ATOM 158 CA ILE A 373 -8.051 -6.743 4.876 1.00 1.22 C ATOM 159 C ILE A 373 -9.446 -6.240 5.235 1.00 1.13 C ATOM 160 O ILE A 373 -10.219 -5.844 4.362 1.00 1.20 O ATOM 161 CB ILE A 373 -7.258 -5.575 4.256 1.00 1.16 C ATOM 162 CG1 ILE A 373 -5.836 -6.015 3.905 1.00 1.40 C ATOM 163 CG2 ILE A 373 -7.230 -4.387 5.209 1.00 1.26 C ATOM 164 CD1 ILE A 373 -5.016 -4.934 3.234 1.00 1.48 C ATOM 0 HA ILE A 373 -7.550 -7.092 5.779 1.00 1.22 H new ATOM 0 HB ILE A 373 -7.758 -5.269 3.337 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -5.328 -6.333 4.815 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -5.885 -6.883 3.248 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -6.667 -3.571 4.757 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -8.249 -4.057 5.409 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -6.754 -4.682 6.144 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -4.019 -5.317 3.014 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -5.502 -4.632 2.306 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -4.936 -4.073 3.898 1.00 1.48 H new ATOM 176 N ASP A 374 -9.751 -6.240 6.529 1.00 1.16 N ATOM 177 CA ASP A 374 -11.024 -5.773 7.024 1.00 1.17 C ATOM 178 C ASP A 374 -10.947 -4.290 7.371 1.00 1.03 C ATOM 179 O ASP A 374 -11.001 -3.914 8.540 1.00 1.25 O ATOM 180 CB ASP A 374 -11.401 -6.587 8.254 1.00 1.40 C ATOM 181 CG ASP A 374 -12.193 -7.833 7.910 1.00 1.77 C ATOM 182 OD1 ASP A 374 -13.284 -7.698 7.318 1.00 2.04 O ATOM 183 OD2 ASP A 374 -11.722 -8.944 8.234 1.00 2.17 O ATOM 0 H ASP A 374 -9.116 -6.566 7.258 1.00 1.16 H new ATOM 0 HA ASP A 374 -11.785 -5.900 6.254 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -10.494 -6.873 8.787 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.986 -5.965 8.931 1.00 1.40 H new ATOM 188 N ILE A 375 -10.806 -3.454 6.346 1.00 0.84 N ATOM 189 CA ILE A 375 -10.700 -2.008 6.531 1.00 0.76 C ATOM 190 C ILE A 375 -11.834 -1.455 7.390 1.00 0.76 C ATOM 191 O ILE A 375 -11.642 -0.499 8.142 1.00 0.79 O ATOM 192 CB ILE A 375 -10.717 -1.270 5.183 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.583 -1.765 4.284 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.609 0.232 5.409 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.672 -1.240 2.869 1.00 0.92 C ATOM 0 H ILE A 375 -10.762 -3.755 5.372 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.750 -1.839 7.038 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.662 -1.479 4.681 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.628 -1.466 4.716 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.595 -2.855 4.262 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -10.622 0.746 4.448 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.451 0.571 6.013 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -9.677 0.456 5.928 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.839 -1.628 2.284 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.612 -1.562 2.420 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -9.630 -0.151 2.882 1.00 0.92 H new ATOM 207 N SER A 376 -13.013 -2.044 7.252 1.00 0.79 N ATOM 208 CA SER A 376 -14.192 -1.603 7.992 1.00 0.87 C ATOM 209 C SER A 376 -13.902 -1.412 9.478 1.00 0.96 C ATOM 210 O SER A 376 -14.593 -0.654 10.161 1.00 1.54 O ATOM 211 CB SER A 376 -15.330 -2.606 7.806 1.00 0.95 C ATOM 212 OG SER A 376 -16.505 -2.179 8.476 1.00 1.71 O ATOM 0 H SER A 376 -13.181 -2.835 6.630 1.00 0.79 H new ATOM 0 HA SER A 376 -14.486 -0.633 7.590 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.539 -2.730 6.743 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.025 -3.581 8.187 1.00 0.95 H new ATOM 0 HG SER A 376 -17.217 -2.838 8.339 1.00 1.71 H new ATOM 218 N GLU A 377 -12.892 -2.109 9.973 1.00 0.93 N ATOM 219 CA GLU A 377 -12.525 -2.026 11.385 1.00 1.03 C ATOM 220 C GLU A 377 -11.930 -0.663 11.739 1.00 0.87 C ATOM 221 O GLU A 377 -12.174 -0.138 12.827 1.00 0.93 O ATOM 222 CB GLU A 377 -11.539 -3.138 11.759 1.00 1.18 C ATOM 223 CG GLU A 377 -10.151 -2.963 11.162 1.00 1.28 C ATOM 224 CD GLU A 377 -9.205 -4.084 11.546 1.00 1.54 C ATOM 225 OE1 GLU A 377 -9.505 -5.252 11.221 1.00 1.92 O ATOM 226 OE2 GLU A 377 -8.164 -3.794 12.173 1.00 1.90 O ATOM 0 H GLU A 377 -12.310 -2.739 9.422 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.442 -2.154 11.961 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.453 -3.183 12.845 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.946 -4.095 11.432 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.230 -2.916 10.076 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.734 -2.012 11.493 1.00 1.28 H new ATOM 233 N ASN A 378 -11.139 -0.100 10.831 1.00 0.71 N ATOM 234 CA ASN A 378 -10.502 1.192 11.074 1.00 0.61 C ATOM 235 C ASN A 378 -10.193 1.925 9.767 1.00 0.58 C ATOM 236 O ASN A 378 -9.029 2.152 9.437 1.00 0.59 O ATOM 237 CB ASN A 378 -9.220 1.002 11.893 1.00 0.62 C ATOM 238 CG ASN A 378 -8.281 -0.037 11.300 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.352 -0.494 11.964 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.503 -0.404 10.043 1.00 2.14 N ATOM 0 H ASN A 378 -10.924 -0.515 9.924 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.202 1.807 11.639 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.698 1.956 11.965 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.485 0.706 12.908 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.892 -1.088 9.596 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.284 -0.002 9.525 1.00 2.14 H new ATOM 247 N PRO A 379 -11.233 2.313 9.007 1.00 0.62 N ATOM 248 CA PRO A 379 -11.056 3.029 7.740 1.00 0.65 C ATOM 249 C PRO A 379 -10.195 4.275 7.913 1.00 0.61 C ATOM 250 O PRO A 379 -9.384 4.613 7.050 1.00 0.62 O ATOM 251 CB PRO A 379 -12.483 3.415 7.341 1.00 0.77 C ATOM 252 CG PRO A 379 -13.354 2.425 8.034 1.00 0.85 C ATOM 253 CD PRO A 379 -12.658 2.096 9.325 1.00 0.75 C ATOM 0 HA PRO A 379 -10.547 2.422 6.991 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.718 4.433 7.650 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.617 3.371 6.260 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.345 2.839 8.219 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.491 1.531 7.425 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.992 2.741 10.138 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.849 1.069 9.635 1.00 0.75 H new ATOM 261 N ASP A 380 -10.380 4.951 9.043 1.00 0.62 N ATOM 262 CA ASP A 380 -9.629 6.161 9.352 1.00 0.64 C ATOM 263 C ASP A 380 -8.140 5.862 9.503 1.00 0.55 C ATOM 264 O ASP A 380 -7.297 6.694 9.166 1.00 0.55 O ATOM 265 CB ASP A 380 -10.163 6.805 10.632 1.00 0.75 C ATOM 266 CG ASP A 380 -11.621 7.206 10.516 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.216 6.976 9.441 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.170 7.749 11.498 1.00 1.20 O ATOM 0 H ASP A 380 -11.048 4.678 9.763 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.756 6.855 8.521 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.046 6.108 11.462 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.565 7.685 10.869 1.00 0.75 H new ATOM 273 N LYS A 381 -7.823 4.676 10.020 1.00 0.51 N ATOM 274 CA LYS A 381 -6.432 4.280 10.220 1.00 0.47 C ATOM 275 C LYS A 381 -5.626 4.454 8.937 1.00 0.39 C ATOM 276 O LYS A 381 -6.018 3.974 7.873 1.00 0.37 O ATOM 277 CB LYS A 381 -6.347 2.832 10.702 1.00 0.50 C ATOM 278 CG LYS A 381 -4.921 2.366 10.936 1.00 0.52 C ATOM 279 CD LYS A 381 -4.875 1.002 11.598 1.00 0.59 C ATOM 280 CE LYS A 381 -3.444 0.561 11.856 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.703 1.541 12.698 1.00 1.66 N ATOM 0 H LYS A 381 -8.508 3.976 10.306 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.006 4.929 10.985 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.913 2.729 11.628 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.819 2.182 9.966 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.391 2.326 9.984 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.400 3.091 11.561 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.423 1.034 12.540 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.374 0.270 10.963 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.447 -0.411 12.349 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.926 0.435 10.905 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.834 1.100 13.061 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.456 2.373 12.126 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.301 1.835 13.496 1.00 1.66 H new ATOM 295 N ILE A 382 -4.502 5.157 9.046 1.00 0.40 N ATOM 296 CA ILE A 382 -3.639 5.413 7.899 1.00 0.35 C ATOM 297 C ILE A 382 -2.628 4.286 7.693 1.00 0.34 C ATOM 298 O ILE A 382 -1.947 3.871 8.632 1.00 0.41 O ATOM 299 CB ILE A 382 -2.878 6.746 8.069 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.859 7.897 8.319 1.00 0.38 C ATOM 301 CG2 ILE A 382 -2.020 7.034 6.847 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.828 8.138 7.180 1.00 0.37 C ATOM 0 H ILE A 382 -4.167 5.561 9.921 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.286 5.470 7.023 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.222 6.657 8.935 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.425 7.688 9.226 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.293 8.811 8.500 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.492 7.977 6.987 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.296 6.230 6.713 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.655 7.101 5.964 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.488 8.968 7.433 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.272 8.380 6.274 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.422 7.240 7.012 1.00 0.37 H new ATOM 314 N TYR A 383 -2.524 3.807 6.455 1.00 0.30 N ATOM 315 CA TYR A 383 -1.581 2.742 6.120 1.00 0.30 C ATOM 316 C TYR A 383 -0.470 3.289 5.232 1.00 0.28 C ATOM 317 O TYR A 383 -0.715 4.149 4.391 1.00 0.25 O ATOM 318 CB TYR A 383 -2.284 1.592 5.394 1.00 0.32 C ATOM 319 CG TYR A 383 -3.376 0.915 6.194 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.562 1.573 6.490 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.218 -0.389 6.645 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.562 0.950 7.213 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.212 -1.018 7.369 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.381 -0.346 7.650 1.00 0.52 C ATOM 325 OH TYR A 383 -6.375 -0.971 8.366 1.00 0.63 O ATOM 0 H TYR A 383 -3.081 4.139 5.668 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.159 2.364 7.051 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.714 1.973 4.468 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.539 0.846 5.116 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.706 2.588 6.150 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.303 -0.920 6.426 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.480 1.475 7.434 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.073 -2.032 7.713 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.090 -1.880 8.597 1.00 0.63 H new ATOM 335 N PHE A 384 0.748 2.788 5.411 1.00 0.31 N ATOM 336 CA PHE A 384 1.873 3.241 4.600 1.00 0.30 C ATOM 337 C PHE A 384 1.993 2.403 3.328 1.00 0.28 C ATOM 338 O PHE A 384 1.750 1.196 3.347 1.00 0.33 O ATOM 339 CB PHE A 384 3.180 3.190 5.390 1.00 0.40 C ATOM 340 CG PHE A 384 3.134 3.915 6.707 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.451 3.372 7.786 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.769 5.136 6.868 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.402 4.034 8.997 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.720 5.804 8.078 1.00 0.64 C ATOM 345 CZ PHE A 384 3.059 5.258 9.140 1.00 0.74 C ATOM 0 H PHE A 384 0.980 2.075 6.103 1.00 0.31 H new ATOM 0 HA PHE A 384 1.684 4.278 4.321 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.441 2.147 5.571 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.977 3.617 4.781 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.952 2.420 7.677 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.308 5.571 6.039 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.859 3.608 9.828 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.207 6.762 8.183 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.044 5.772 10.090 1.00 0.74 H new ATOM 355 N ILE A 385 2.353 3.051 2.220 1.00 0.26 N ATOM 356 CA ILE A 385 2.483 2.361 0.940 1.00 0.27 C ATOM 357 C ILE A 385 3.870 2.548 0.330 1.00 0.24 C ATOM 358 O ILE A 385 4.390 3.662 0.268 1.00 0.30 O ATOM 359 CB ILE A 385 1.434 2.850 -0.082 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.014 2.644 0.448 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.611 2.132 -1.410 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.382 3.622 1.527 1.00 0.32 C ATOM 0 H ILE A 385 2.559 4.049 2.184 1.00 0.26 H new ATOM 0 HA ILE A 385 2.321 1.305 1.154 1.00 0.27 H new ATOM 0 HB ILE A 385 1.587 3.918 -0.238 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.689 2.728 -0.381 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.074 1.630 0.839 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.864 2.489 -2.119 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.608 2.333 -1.802 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.488 1.059 -1.263 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.401 3.412 1.852 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.296 3.523 2.374 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.328 4.638 1.135 1.00 0.32 H new ATOM 374 N ARG A 386 4.451 1.447 -0.136 1.00 0.29 N ATOM 375 CA ARG A 386 5.767 1.473 -0.763 1.00 0.30 C ATOM 376 C ARG A 386 5.641 1.770 -2.258 1.00 0.33 C ATOM 377 O ARG A 386 5.047 0.992 -3.003 1.00 0.42 O ATOM 378 CB ARG A 386 6.464 0.124 -0.553 1.00 0.38 C ATOM 379 CG ARG A 386 7.820 0.011 -1.232 1.00 0.50 C ATOM 380 CD ARG A 386 8.409 -1.382 -1.062 1.00 1.02 C ATOM 381 NE ARG A 386 9.674 -1.540 -1.779 1.00 1.40 N ATOM 382 CZ ARG A 386 10.784 -0.864 -1.490 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.795 0.015 -0.497 1.00 2.42 N ATOM 384 NH2 ARG A 386 11.887 -1.067 -2.197 1.00 2.39 N ATOM 0 H ARG A 386 4.027 0.520 -0.090 1.00 0.29 H new ATOM 0 HA ARG A 386 6.362 2.262 -0.303 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.590 -0.044 0.516 1.00 0.38 H new ATOM 0 HB3 ARG A 386 5.816 -0.669 -0.926 1.00 0.38 H new ATOM 0 HG2 ARG A 386 7.718 0.238 -2.293 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.502 0.750 -0.812 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.567 -1.580 -0.002 1.00 1.02 H new ATOM 0 HD3 ARG A 386 7.695 -2.123 -1.422 1.00 1.02 H new ATOM 0 HE ARG A 386 9.708 -2.209 -2.548 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.950 0.176 0.051 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.649 0.530 -0.281 1.00 2.42 H new ATOM 0 HH21 ARG A 386 11.885 -1.741 -2.962 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.737 -0.549 -1.975 1.00 2.39 H new ATOM 398 N ARG A 387 6.203 2.895 -2.694 1.00 0.41 N ATOM 399 CA ARG A 387 6.144 3.277 -4.103 1.00 0.51 C ATOM 400 C ARG A 387 7.014 2.360 -4.959 1.00 0.49 C ATOM 401 O ARG A 387 7.789 1.559 -4.436 1.00 0.47 O ATOM 402 CB ARG A 387 6.570 4.737 -4.287 1.00 0.63 C ATOM 403 CG ARG A 387 5.631 5.730 -3.620 1.00 0.84 C ATOM 404 CD ARG A 387 5.992 7.166 -3.973 1.00 0.94 C ATOM 405 NE ARG A 387 5.894 7.419 -5.409 1.00 1.32 N ATOM 406 CZ ARG A 387 4.746 7.442 -6.082 1.00 1.79 C ATOM 407 NH1 ARG A 387 3.591 7.294 -5.445 1.00 2.30 N ATOM 408 NH2 ARG A 387 4.751 7.632 -7.394 1.00 2.25 N ATOM 0 H ARG A 387 6.701 3.554 -2.096 1.00 0.41 H new ATOM 0 HA ARG A 387 5.111 3.171 -4.433 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.573 4.869 -3.882 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.625 4.960 -5.353 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.606 5.526 -3.928 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.671 5.599 -2.539 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.330 7.848 -3.439 1.00 0.94 H new ATOM 0 HD3 ARG A 387 7.007 7.378 -3.636 1.00 0.94 H new ATOM 0 HE ARG A 387 6.757 7.588 -5.926 1.00 1.32 H new ATOM 0 HH11 ARG A 387 3.580 7.162 -4.434 1.00 2.30 H new ATOM 0 HH12 ARG A 387 2.715 7.313 -5.967 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.634 7.760 -7.887 1.00 2.25 H new ATOM 0 HH22 ARG A 387 3.871 7.650 -7.910 1.00 2.25 H new ATOM 422 N GLU A 388 6.870 2.476 -6.278 1.00 0.64 N ATOM 423 CA GLU A 388 7.632 1.652 -7.214 1.00 0.69 C ATOM 424 C GLU A 388 9.127 1.709 -6.914 1.00 0.61 C ATOM 425 O GLU A 388 9.804 0.682 -6.893 1.00 0.63 O ATOM 426 CB GLU A 388 7.380 2.114 -8.652 1.00 0.88 C ATOM 427 CG GLU A 388 5.920 2.061 -9.064 1.00 1.58 C ATOM 428 CD GLU A 388 5.697 2.553 -10.481 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.276 1.957 -11.415 1.00 2.82 O ATOM 430 OE2 GLU A 388 4.943 3.532 -10.659 1.00 2.65 O ATOM 0 H GLU A 388 6.231 3.134 -6.723 1.00 0.64 H new ATOM 0 HA GLU A 388 7.297 0.621 -7.098 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.743 3.136 -8.765 1.00 0.88 H new ATOM 0 HB3 GLU A 388 7.963 1.492 -9.331 1.00 0.88 H new ATOM 0 HG2 GLU A 388 5.559 1.036 -8.978 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.330 2.666 -8.376 1.00 1.58 H new ATOM 437 N ASP A 389 9.636 2.915 -6.682 1.00 0.65 N ATOM 438 CA ASP A 389 11.052 3.102 -6.383 1.00 0.69 C ATOM 439 C ASP A 389 11.400 2.539 -5.009 1.00 0.64 C ATOM 440 O ASP A 389 12.485 1.992 -4.807 1.00 0.91 O ATOM 441 CB ASP A 389 11.421 4.586 -6.457 1.00 0.81 C ATOM 442 CG ASP A 389 10.540 5.449 -5.575 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.555 5.246 -4.343 1.00 1.23 O ATOM 444 OD2 ASP A 389 9.837 6.326 -6.116 1.00 1.06 O ATOM 0 H ASP A 389 9.090 3.776 -6.695 1.00 0.65 H new ATOM 0 HA ASP A 389 11.630 2.558 -7.130 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.462 4.713 -6.160 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.340 4.926 -7.489 1.00 0.81 H new ATOM 449 N GLY A 390 10.471 2.676 -4.067 1.00 0.55 N ATOM 450 CA GLY A 390 10.692 2.178 -2.723 1.00 0.53 C ATOM 451 C GLY A 390 10.618 3.275 -1.678 1.00 0.55 C ATOM 452 O GLY A 390 11.355 3.255 -0.692 1.00 1.03 O ATOM 0 H GLY A 390 9.567 3.125 -4.213 1.00 0.55 H new ATOM 0 HA2 GLY A 390 9.949 1.413 -2.496 1.00 0.53 H new ATOM 0 HA3 GLY A 390 11.669 1.698 -2.673 1.00 0.53 H new ATOM 456 N THR A 391 9.721 4.230 -1.895 1.00 0.57 N ATOM 457 CA THR A 391 9.538 5.342 -0.971 1.00 0.54 C ATOM 458 C THR A 391 8.202 5.248 -0.252 1.00 0.41 C ATOM 459 O THR A 391 7.139 5.332 -0.868 1.00 0.44 O ATOM 460 CB THR A 391 9.656 6.704 -1.673 1.00 0.71 C ATOM 461 OG1 THR A 391 8.878 6.711 -2.876 1.00 0.98 O ATOM 462 CG2 THR A 391 11.113 7.009 -1.984 1.00 0.88 C ATOM 0 H THR A 391 9.106 4.256 -2.708 1.00 0.57 H new ATOM 0 HA THR A 391 10.341 5.269 -0.238 1.00 0.54 H new ATOM 0 HB THR A 391 9.272 7.476 -1.007 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.288 6.112 -3.534 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.184 7.976 -2.481 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.685 7.035 -1.057 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.515 6.235 -2.637 1.00 0.88 H new ATOM 470 N VAL A 392 8.272 5.049 1.056 1.00 0.37 N ATOM 471 CA VAL A 392 7.084 4.913 1.884 1.00 0.33 C ATOM 472 C VAL A 392 6.285 6.214 1.950 1.00 0.32 C ATOM 473 O VAL A 392 6.844 7.294 2.137 1.00 0.41 O ATOM 474 CB VAL A 392 7.475 4.493 3.312 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.251 4.394 4.203 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.230 3.175 3.289 1.00 0.52 C ATOM 0 H VAL A 392 9.150 4.978 1.571 1.00 0.37 H new ATOM 0 HA VAL A 392 6.459 4.147 1.426 1.00 0.33 H new ATOM 0 HB VAL A 392 8.130 5.260 3.725 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.555 4.096 5.206 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.754 5.363 4.247 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.564 3.652 3.796 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.499 2.892 4.307 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.598 2.401 2.852 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.135 3.284 2.691 1.00 0.52 H new ATOM 486 N HIS A 393 4.967 6.084 1.800 1.00 0.29 N ATOM 487 CA HIS A 393 4.055 7.225 1.843 1.00 0.31 C ATOM 488 C HIS A 393 2.665 6.778 2.288 1.00 0.27 C ATOM 489 O HIS A 393 2.132 5.788 1.788 1.00 0.26 O ATOM 490 CB HIS A 393 3.972 7.904 0.473 1.00 0.37 C ATOM 491 CG HIS A 393 5.176 8.729 0.134 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.553 9.838 0.861 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.088 8.603 -0.858 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.644 10.360 0.329 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.989 9.629 -0.714 1.00 1.82 N ATOM 0 H HIS A 393 4.504 5.188 1.646 1.00 0.29 H new ATOM 0 HA HIS A 393 4.444 7.944 2.564 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.839 7.140 -0.293 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.087 8.540 0.446 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.104 7.838 -1.620 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.165 11.236 0.687 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.795 9.799 -1.316 1.00 1.82 H new ATOM 504 N ARG A 394 2.091 7.508 3.239 1.00 0.29 N ATOM 505 CA ARG A 394 0.772 7.184 3.773 1.00 0.28 C ATOM 506 C ARG A 394 -0.287 7.074 2.678 1.00 0.26 C ATOM 507 O ARG A 394 -0.167 7.672 1.608 1.00 0.32 O ATOM 508 CB ARG A 394 0.351 8.222 4.811 1.00 0.35 C ATOM 509 CG ARG A 394 1.233 8.231 6.049 1.00 0.42 C ATOM 510 CD ARG A 394 0.881 9.383 6.975 1.00 0.52 C ATOM 511 NE ARG A 394 1.664 9.355 8.208 1.00 1.34 N ATOM 512 CZ ARG A 394 1.574 8.390 9.119 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.721 7.389 8.949 1.00 2.41 N ATOM 514 NH2 ARG A 394 2.335 8.430 10.204 1.00 2.96 N ATOM 0 H ARG A 394 2.521 8.333 3.658 1.00 0.29 H new ATOM 0 HA ARG A 394 0.849 6.206 4.248 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.370 9.211 4.353 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.679 8.029 5.110 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.122 7.287 6.583 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.279 8.308 5.751 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.052 10.328 6.459 1.00 0.52 H new ATOM 0 HD3 ARG A 394 -0.180 9.340 7.219 1.00 0.52 H new ATOM 0 HE ARG A 394 2.317 10.119 8.380 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.131 7.357 8.117 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.655 6.651 9.650 1.00 2.41 H new ATOM 0 HH21 ARG A 394 2.989 9.201 10.340 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.266 7.690 10.903 1.00 2.96 H new ATOM 528 N GLY A 395 -1.323 6.292 2.970 1.00 0.23 N ATOM 529 CA GLY A 395 -2.413 6.078 2.035 1.00 0.25 C ATOM 530 C GLY A 395 -3.581 5.360 2.695 1.00 0.23 C ATOM 531 O GLY A 395 -3.382 4.393 3.434 1.00 0.26 O ATOM 0 H GLY A 395 -1.426 5.795 3.855 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.750 7.037 1.641 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.057 5.493 1.187 1.00 0.25 H new ATOM 535 N GLN A 396 -4.797 5.838 2.446 1.00 0.29 N ATOM 536 CA GLN A 396 -5.992 5.239 3.038 1.00 0.34 C ATOM 537 C GLN A 396 -6.592 4.163 2.136 1.00 0.35 C ATOM 538 O GLN A 396 -7.138 4.465 1.074 1.00 0.46 O ATOM 539 CB GLN A 396 -7.038 6.319 3.313 1.00 0.43 C ATOM 540 CG GLN A 396 -6.560 7.404 4.264 1.00 0.50 C ATOM 541 CD GLN A 396 -7.603 8.473 4.503 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.164 9.035 3.562 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.848 8.770 5.767 1.00 0.61 N ATOM 0 H GLN A 396 -4.982 6.637 1.840 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.694 4.767 3.974 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.330 6.779 2.369 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.930 5.851 3.729 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.285 6.951 5.217 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.659 7.865 3.859 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.357 8.275 6.512 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.528 9.494 5.998 1.00 0.61 H new ATOM 552 N VAL A 397 -6.506 2.907 2.572 1.00 0.33 N ATOM 553 CA VAL A 397 -7.061 1.795 1.805 1.00 0.33 C ATOM 554 C VAL A 397 -8.582 1.785 1.929 1.00 0.33 C ATOM 555 O VAL A 397 -9.120 1.855 3.035 1.00 0.37 O ATOM 556 CB VAL A 397 -6.507 0.439 2.285 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.782 -0.649 1.259 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.022 0.543 2.586 1.00 0.83 C ATOM 0 H VAL A 397 -6.059 2.636 3.448 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.769 1.937 0.764 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.019 0.167 3.208 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.382 -1.597 1.618 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.857 -0.742 1.107 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.304 -0.388 0.315 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.650 -0.425 2.923 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.488 0.842 1.684 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.860 1.286 3.367 1.00 0.83 H new ATOM 568 N LEU A 398 -9.275 1.720 0.797 1.00 0.36 N ATOM 569 CA LEU A 398 -10.736 1.729 0.803 1.00 0.40 C ATOM 570 C LEU A 398 -11.328 0.481 0.148 1.00 0.41 C ATOM 571 O LEU A 398 -12.315 -0.072 0.633 1.00 0.47 O ATOM 572 CB LEU A 398 -11.249 2.986 0.098 1.00 0.46 C ATOM 573 CG LEU A 398 -10.776 4.308 0.712 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.198 5.483 -0.155 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.321 4.463 2.125 1.00 1.45 C ATOM 0 H LEU A 398 -8.854 1.661 -0.130 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.059 1.730 1.844 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.935 2.954 -0.945 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.339 2.969 0.103 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.687 4.294 0.761 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.853 6.412 0.298 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.760 5.379 -1.148 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.285 5.502 -0.238 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.976 5.407 2.547 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.411 4.455 2.098 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.967 3.638 2.744 1.00 1.45 H new ATOM 587 N GLN A 399 -10.736 0.052 -0.964 1.00 0.39 N ATOM 588 CA GLN A 399 -11.231 -1.118 -1.687 1.00 0.43 C ATOM 589 C GLN A 399 -10.092 -2.041 -2.107 1.00 0.38 C ATOM 590 O GLN A 399 -8.922 -1.746 -1.877 1.00 0.35 O ATOM 591 CB GLN A 399 -12.025 -0.684 -2.921 1.00 0.49 C ATOM 592 CG GLN A 399 -13.256 0.147 -2.595 1.00 0.60 C ATOM 593 CD GLN A 399 -14.048 0.521 -3.832 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.531 -0.348 -4.561 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.183 1.819 -4.078 1.00 2.04 N ATOM 0 H GLN A 399 -9.917 0.494 -1.383 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.884 -1.670 -1.010 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.373 -0.109 -3.578 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.333 -1.571 -3.475 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.897 -0.411 -1.912 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.950 1.055 -2.075 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -13.766 2.504 -3.447 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.703 2.131 -4.898 1.00 2.04 H new ATOM 604 N SER A 400 -10.452 -3.168 -2.720 1.00 0.42 N ATOM 605 CA SER A 400 -9.472 -4.148 -3.177 1.00 0.41 C ATOM 606 C SER A 400 -10.002 -4.920 -4.384 1.00 0.47 C ATOM 607 O SER A 400 -11.179 -5.277 -4.435 1.00 0.54 O ATOM 608 CB SER A 400 -9.130 -5.123 -2.047 1.00 0.47 C ATOM 609 OG SER A 400 -10.283 -5.826 -1.614 1.00 0.56 O ATOM 0 H SER A 400 -11.421 -3.424 -2.912 1.00 0.42 H new ATOM 0 HA SER A 400 -8.569 -3.614 -3.473 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.375 -5.831 -2.389 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.697 -4.576 -1.209 1.00 0.47 H new ATOM 0 HG SER A 400 -10.038 -6.443 -0.893 1.00 0.56 H new ATOM 615 N ARG A 401 -9.128 -5.165 -5.359 1.00 0.51 N ATOM 616 CA ARG A 401 -9.513 -5.884 -6.568 1.00 0.60 C ATOM 617 C ARG A 401 -8.308 -6.570 -7.208 1.00 0.73 C ATOM 618 O ARG A 401 -7.200 -6.030 -7.210 1.00 0.86 O ATOM 619 CB ARG A 401 -10.124 -4.918 -7.588 1.00 0.65 C ATOM 620 CG ARG A 401 -9.075 -4.161 -8.389 1.00 0.72 C ATOM 621 CD ARG A 401 -9.693 -3.164 -9.355 1.00 0.91 C ATOM 622 NE ARG A 401 -8.678 -2.565 -10.216 1.00 1.02 N ATOM 623 CZ ARG A 401 -8.927 -1.615 -11.111 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.159 -1.147 -11.262 1.00 1.55 N ATOM 625 NH2 ARG A 401 -7.940 -1.132 -11.853 1.00 1.43 N ATOM 0 H ARG A 401 -8.150 -4.876 -5.334 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.245 -6.639 -6.282 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -10.763 -5.476 -8.272 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -10.762 -4.204 -7.067 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.409 -3.635 -7.705 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.464 -4.872 -8.946 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.444 -3.664 -9.967 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.207 -2.382 -8.796 1.00 0.91 H new ATOM 0 HE ARG A 401 -7.718 -2.896 -10.125 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -10.919 -1.516 -10.690 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -10.347 -0.418 -11.950 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -6.992 -1.490 -11.736 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.129 -0.403 -12.541 1.00 1.43 H new ATOM 639 N THR A 402 -8.535 -7.747 -7.774 1.00 0.82 N ATOM 640 CA THR A 402 -7.481 -8.484 -8.450 1.00 0.99 C ATOM 641 C THR A 402 -7.511 -8.171 -9.947 1.00 1.16 C ATOM 642 O THR A 402 -7.407 -7.009 -10.341 1.00 1.79 O ATOM 643 CB THR A 402 -7.612 -10.000 -8.217 1.00 1.14 C ATOM 644 OG1 THR A 402 -8.920 -10.447 -8.594 1.00 1.38 O ATOM 645 CG2 THR A 402 -7.346 -10.349 -6.760 1.00 1.29 C ATOM 0 H THR A 402 -9.443 -8.212 -7.777 1.00 0.82 H new ATOM 0 HA THR A 402 -6.524 -8.169 -8.033 1.00 0.99 H new ATOM 0 HB THR A 402 -6.869 -10.505 -8.835 1.00 1.14 H new ATOM 0 HG1 THR A 402 -9.173 -11.219 -8.045 1.00 1.38 H new ATOM 0 HG21 THR A 402 -7.444 -11.425 -6.620 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.337 -10.039 -6.490 1.00 1.29 H new ATOM 0 HG23 THR A 402 -8.066 -9.833 -6.125 1.00 1.29 H new ATOM 653 N THR A 403 -7.672 -9.199 -10.778 1.00 1.43 N ATOM 654 CA THR A 403 -7.732 -9.017 -12.224 1.00 1.62 C ATOM 655 C THR A 403 -8.292 -10.280 -12.877 1.00 1.84 C ATOM 656 O THR A 403 -8.735 -11.193 -12.178 1.00 1.85 O ATOM 657 CB THR A 403 -6.345 -8.691 -12.827 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.578 -7.904 -11.908 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.488 -7.916 -14.128 1.00 1.95 C ATOM 0 H THR A 403 -7.763 -10.168 -10.472 1.00 1.43 H new ATOM 0 HA THR A 403 -8.386 -8.168 -12.424 1.00 1.62 H new ATOM 0 HB THR A 403 -5.838 -9.636 -13.023 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.152 -7.218 -11.506 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.499 -7.699 -14.533 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.051 -8.512 -14.846 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.016 -6.981 -13.939 1.00 1.95 H new ATOM 667 N GLU A 404 -8.285 -10.328 -14.208 1.00 2.08 N ATOM 668 CA GLU A 404 -8.804 -11.484 -14.938 1.00 2.34 C ATOM 669 C GLU A 404 -8.343 -12.794 -14.306 1.00 2.30 C ATOM 670 O GLU A 404 -9.127 -13.732 -14.158 1.00 2.37 O ATOM 671 CB GLU A 404 -8.355 -11.431 -16.400 1.00 2.72 C ATOM 672 CG GLU A 404 -8.816 -10.185 -17.137 1.00 2.91 C ATOM 673 CD GLU A 404 -8.331 -10.145 -18.571 1.00 3.42 C ATOM 674 OE1 GLU A 404 -8.670 -11.070 -19.339 1.00 3.79 O ATOM 675 OE2 GLU A 404 -7.610 -9.189 -18.929 1.00 3.87 O ATOM 0 H GLU A 404 -7.926 -9.581 -14.803 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.892 -11.446 -14.890 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.267 -11.483 -16.439 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.735 -12.311 -16.919 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -9.905 -10.142 -17.124 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -8.455 -9.301 -16.610 1.00 2.91 H new ATOM 682 N ASN A 405 -7.068 -12.852 -13.936 1.00 2.26 N ATOM 683 CA ASN A 405 -6.505 -14.049 -13.322 1.00 2.30 C ATOM 684 C ASN A 405 -7.048 -14.256 -11.909 1.00 2.07 C ATOM 685 O ASN A 405 -7.534 -15.335 -11.576 1.00 2.40 O ATOM 686 CB ASN A 405 -4.979 -13.959 -13.288 1.00 2.43 C ATOM 687 CG ASN A 405 -4.340 -15.186 -12.665 1.00 2.67 C ATOM 688 OD1 ASN A 405 -4.516 -16.304 -13.149 1.00 3.16 O ATOM 689 ND2 ASN A 405 -3.594 -14.983 -11.586 1.00 2.73 N ATOM 0 H ASN A 405 -6.406 -12.085 -14.050 1.00 2.26 H new ATOM 0 HA ASN A 405 -6.800 -14.906 -13.928 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -4.603 -13.833 -14.303 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -4.683 -13.073 -12.726 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -3.140 -15.771 -11.124 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -3.475 -14.039 -11.218 1.00 2.73 H new ATOM 696 N ALA A 406 -6.957 -13.214 -11.084 1.00 1.82 N ATOM 697 CA ALA A 406 -7.433 -13.280 -9.703 1.00 1.67 C ATOM 698 C ALA A 406 -6.804 -14.460 -8.967 1.00 1.85 C ATOM 699 O ALA A 406 -7.497 -15.293 -8.383 1.00 2.18 O ATOM 700 CB ALA A 406 -8.949 -13.367 -9.665 1.00 1.72 C ATOM 0 H ALA A 406 -6.558 -12.313 -11.348 1.00 1.82 H new ATOM 0 HA ALA A 406 -7.130 -12.365 -9.194 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -9.285 -13.415 -8.629 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -9.376 -12.486 -10.144 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -9.275 -14.262 -10.194 1.00 1.72 H new ATOM 706 N ALA A 407 -5.482 -14.513 -9.014 1.00 1.91 N ATOM 707 CA ALA A 407 -4.713 -15.572 -8.374 1.00 2.19 C ATOM 708 C ALA A 407 -3.268 -15.127 -8.233 1.00 2.37 C ATOM 709 O ALA A 407 -2.372 -15.922 -7.948 1.00 2.77 O ATOM 710 CB ALA A 407 -4.797 -16.851 -9.187 1.00 2.38 C ATOM 0 H ALA A 407 -4.909 -13.821 -9.498 1.00 1.91 H new ATOM 0 HA ALA A 407 -5.126 -15.771 -7.385 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -4.217 -17.633 -8.696 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -5.838 -17.165 -9.264 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -4.396 -16.675 -10.185 1.00 2.38 H new ATOM 716 N ALA A 408 -3.067 -13.839 -8.460 1.00 2.15 N ATOM 717 CA ALA A 408 -1.750 -13.226 -8.396 1.00 2.35 C ATOM 718 C ALA A 408 -1.840 -11.703 -8.234 1.00 2.05 C ATOM 719 O ALA A 408 -1.062 -11.123 -7.480 1.00 1.99 O ATOM 720 CB ALA A 408 -0.942 -13.578 -9.635 1.00 2.76 C ATOM 0 H ALA A 408 -3.815 -13.187 -8.695 1.00 2.15 H new ATOM 0 HA ALA A 408 -1.244 -13.623 -7.516 1.00 2.35 H new ATOM 0 HB1 ALA A 408 0.041 -13.112 -9.573 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -0.827 -14.660 -9.699 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -1.460 -13.215 -10.523 1.00 2.76 H new ATOM 726 N PRO A 409 -2.767 -11.017 -8.952 1.00 1.99 N ATOM 727 CA PRO A 409 -2.902 -9.558 -8.865 1.00 1.80 C ATOM 728 C PRO A 409 -3.042 -9.040 -7.440 1.00 1.41 C ATOM 729 O PRO A 409 -2.199 -8.276 -6.968 1.00 1.86 O ATOM 730 CB PRO A 409 -4.167 -9.266 -9.672 1.00 2.10 C ATOM 731 CG PRO A 409 -4.248 -10.384 -10.648 1.00 2.49 C ATOM 732 CD PRO A 409 -3.728 -11.589 -9.920 1.00 2.27 C ATOM 0 HA PRO A 409 -2.009 -9.059 -9.241 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.048 -9.233 -9.031 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.103 -8.302 -10.176 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.274 -10.540 -10.982 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.652 -10.174 -11.536 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -4.529 -12.132 -9.418 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.244 -12.291 -10.599 1.00 2.27 H new ATOM 740 N ASP A 410 -4.110 -9.453 -6.771 1.00 0.92 N ATOM 741 CA ASP A 410 -4.388 -9.035 -5.397 1.00 0.79 C ATOM 742 C ASP A 410 -3.965 -7.581 -5.163 1.00 0.68 C ATOM 743 O ASP A 410 -2.948 -7.307 -4.527 1.00 0.93 O ATOM 744 CB ASP A 410 -3.714 -9.976 -4.387 1.00 1.18 C ATOM 745 CG ASP A 410 -2.205 -9.822 -4.319 1.00 1.62 C ATOM 746 OD1 ASP A 410 -1.528 -10.115 -5.322 1.00 1.99 O ATOM 747 OD2 ASP A 410 -1.700 -9.406 -3.254 1.00 2.14 O ATOM 0 H ASP A 410 -4.809 -10.086 -7.161 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.465 -9.095 -5.243 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -4.134 -9.793 -3.398 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -3.953 -11.007 -4.649 1.00 1.18 H new ATOM 752 N GLU A 411 -4.749 -6.651 -5.698 1.00 0.54 N ATOM 753 CA GLU A 411 -4.448 -5.228 -5.563 1.00 0.45 C ATOM 754 C GLU A 411 -5.414 -4.561 -4.592 1.00 0.40 C ATOM 755 O GLU A 411 -6.570 -4.963 -4.481 1.00 0.42 O ATOM 756 CB GLU A 411 -4.529 -4.537 -6.926 1.00 0.49 C ATOM 757 CG GLU A 411 -3.620 -5.154 -7.975 1.00 0.58 C ATOM 758 CD GLU A 411 -3.703 -4.442 -9.312 1.00 1.47 C ATOM 759 OE1 GLU A 411 -3.410 -3.229 -9.359 1.00 2.08 O ATOM 760 OE2 GLU A 411 -4.061 -5.098 -10.313 1.00 2.10 O ATOM 0 H GLU A 411 -5.596 -6.855 -6.228 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.435 -5.132 -5.171 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.558 -4.574 -7.282 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.271 -3.485 -6.807 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -2.590 -5.129 -7.618 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.886 -6.203 -8.109 1.00 0.58 H new ATOM 767 N TYR A 412 -4.930 -3.550 -3.878 1.00 0.38 N ATOM 768 CA TYR A 412 -5.757 -2.843 -2.908 1.00 0.35 C ATOM 769 C TYR A 412 -5.732 -1.336 -3.155 1.00 0.33 C ATOM 770 O TYR A 412 -4.666 -0.719 -3.194 1.00 0.34 O ATOM 771 CB TYR A 412 -5.287 -3.141 -1.480 1.00 0.39 C ATOM 772 CG TYR A 412 -5.380 -4.602 -1.087 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.603 -5.561 -1.725 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.252 -5.026 -0.089 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.688 -6.896 -1.378 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.341 -6.360 0.265 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.546 -7.281 -0.348 1.00 0.62 C ATOM 778 OH TYR A 412 -5.643 -8.618 -0.035 1.00 0.72 O ATOM 0 H TYR A 412 -3.974 -3.203 -3.952 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.781 -3.196 -3.028 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.253 -2.813 -1.374 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.882 -2.550 -0.783 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -3.921 -5.258 -2.506 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.870 -4.300 0.418 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.096 -7.634 -1.899 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.040 -6.671 1.027 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.277 -8.736 0.703 1.00 0.72 H new ATOM 788 N TYR A 413 -6.918 -0.752 -3.310 1.00 0.33 N ATOM 789 CA TYR A 413 -7.055 0.683 -3.542 1.00 0.32 C ATOM 790 C TYR A 413 -6.413 1.469 -2.405 1.00 0.32 C ATOM 791 O TYR A 413 -6.370 1.002 -1.269 1.00 0.40 O ATOM 792 CB TYR A 413 -8.534 1.056 -3.659 1.00 0.36 C ATOM 793 CG TYR A 413 -8.780 2.503 -4.034 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.048 3.109 -5.047 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.740 3.263 -3.376 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.264 4.430 -5.393 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.963 4.584 -3.717 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.236 5.160 -4.721 1.00 0.46 C ATOM 799 OH TYR A 413 -9.444 6.476 -5.069 1.00 0.51 O ATOM 0 H TYR A 413 -7.804 -1.256 -3.279 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.547 0.934 -4.473 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.001 0.414 -4.406 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.026 0.850 -2.708 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.297 2.538 -5.573 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.322 2.814 -2.585 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.682 4.890 -6.178 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.710 5.160 -3.191 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.156 6.853 -4.511 1.00 0.51 H new ATOM 809 N VAL A 414 -5.906 2.661 -2.712 1.00 0.33 N ATOM 810 CA VAL A 414 -5.265 3.484 -1.695 1.00 0.33 C ATOM 811 C VAL A 414 -5.287 4.968 -2.055 1.00 0.29 C ATOM 812 O VAL A 414 -5.046 5.349 -3.201 1.00 0.38 O ATOM 813 CB VAL A 414 -3.807 3.042 -1.467 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.990 3.199 -2.740 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.187 3.827 -0.324 1.00 1.15 C ATOM 0 H VAL A 414 -5.927 3.073 -3.645 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.839 3.344 -0.779 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.806 1.986 -1.196 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.964 2.881 -2.555 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.424 2.585 -3.529 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -2.996 4.244 -3.049 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.157 3.502 -0.176 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.202 4.890 -0.563 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.757 3.652 0.589 1.00 1.15 H new ATOM 825 N HIS A 415 -5.569 5.800 -1.055 1.00 0.33 N ATOM 826 CA HIS A 415 -5.615 7.247 -1.239 1.00 0.32 C ATOM 827 C HIS A 415 -4.509 7.922 -0.429 1.00 0.32 C ATOM 828 O HIS A 415 -4.629 8.091 0.784 1.00 0.34 O ATOM 829 CB HIS A 415 -6.985 7.790 -0.822 1.00 0.37 C ATOM 830 CG HIS A 415 -7.057 9.284 -0.791 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.715 10.078 -1.865 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.439 10.131 0.193 1.00 0.54 C ATOM 833 CE1 HIS A 415 -6.881 11.347 -1.543 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.322 11.407 -0.300 1.00 0.62 N ATOM 0 H HIS A 415 -5.770 5.493 -0.103 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.457 7.469 -2.294 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.740 7.413 -1.512 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.234 7.403 0.166 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.385 9.738 -2.768 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.774 9.855 1.182 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -6.689 12.193 -2.187 1.00 0.60 H new ATOM 843 N TYR A 416 -3.433 8.300 -1.108 1.00 0.37 N ATOM 844 CA TYR A 416 -2.300 8.946 -0.452 1.00 0.40 C ATOM 845 C TYR A 416 -2.708 10.274 0.178 1.00 0.45 C ATOM 846 O TYR A 416 -3.095 11.211 -0.521 1.00 0.57 O ATOM 847 CB TYR A 416 -1.161 9.172 -1.450 1.00 0.46 C ATOM 848 CG TYR A 416 -0.649 7.906 -2.101 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.439 7.189 -2.989 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.631 7.438 -1.838 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.971 6.040 -3.595 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.109 6.289 -2.441 1.00 0.54 C ATOM 853 CZ TYR A 416 0.304 5.594 -3.318 1.00 0.57 C ATOM 854 OH TYR A 416 0.773 4.449 -3.920 1.00 0.65 O ATOM 0 H TYR A 416 -3.320 8.171 -2.113 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.955 8.283 0.341 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.504 9.854 -2.228 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.335 9.663 -0.936 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.438 7.536 -3.210 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.264 7.980 -1.151 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.600 5.494 -4.282 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.108 5.938 -2.226 1.00 0.54 H new ATOM 0 HH TYR A 416 1.689 4.273 -3.619 1.00 0.65 H new ATOM 864 N VAL A 417 -2.612 10.347 1.502 1.00 0.45 N ATOM 865 CA VAL A 417 -2.965 11.562 2.230 1.00 0.55 C ATOM 866 C VAL A 417 -1.987 12.688 1.922 1.00 0.66 C ATOM 867 O VAL A 417 -0.773 12.506 1.995 1.00 1.34 O ATOM 868 CB VAL A 417 -2.990 11.316 3.751 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.358 12.590 4.497 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.960 10.198 4.084 1.00 1.01 C ATOM 0 H VAL A 417 -2.293 9.579 2.093 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.963 11.852 1.901 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.992 11.016 4.071 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.370 12.393 5.569 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.623 13.365 4.278 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.345 12.926 4.179 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.969 10.033 5.161 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.961 10.473 3.750 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.648 9.283 3.580 1.00 1.01 H new ATOM 880 N GLY A 418 -2.531 13.851 1.584 1.00 0.71 N ATOM 881 CA GLY A 418 -1.698 15.000 1.267 1.00 0.82 C ATOM 882 C GLY A 418 -1.082 14.915 -0.120 1.00 0.72 C ATOM 883 O GLY A 418 -1.049 15.905 -0.851 1.00 0.76 O ATOM 0 H GLY A 418 -3.535 14.021 1.523 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.297 15.908 1.339 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.903 15.083 2.008 1.00 0.82 H new ATOM 887 N LEU A 419 -0.592 13.731 -0.481 1.00 0.66 N ATOM 888 CA LEU A 419 0.026 13.512 -1.781 1.00 0.60 C ATOM 889 C LEU A 419 -0.950 13.814 -2.914 1.00 0.59 C ATOM 890 O LEU A 419 -2.165 13.708 -2.746 1.00 0.76 O ATOM 891 CB LEU A 419 0.512 12.065 -1.886 1.00 0.58 C ATOM 892 CG LEU A 419 1.778 11.719 -1.092 1.00 0.78 C ATOM 893 CD1 LEU A 419 3.012 12.278 -1.783 1.00 1.60 C ATOM 894 CD2 LEU A 419 1.696 12.234 0.338 1.00 1.40 C ATOM 0 H LEU A 419 -0.613 12.904 0.116 1.00 0.66 H new ATOM 0 HA LEU A 419 0.874 14.191 -1.874 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.292 11.408 -1.553 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.694 11.840 -2.937 1.00 0.58 H new ATOM 0 HG LEU A 419 1.857 10.633 -1.054 1.00 0.78 H new ATOM 0 HD11 LEU A 419 3.900 12.022 -1.205 1.00 1.60 H new ATOM 0 HD12 LEU A 419 3.094 11.851 -2.782 1.00 1.60 H new ATOM 0 HD13 LEU A 419 2.927 13.362 -1.858 1.00 1.60 H new ATOM 0 HD21 LEU A 419 2.609 11.972 0.872 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.580 13.318 0.328 1.00 1.40 H new ATOM 0 HD23 LEU A 419 0.840 11.782 0.839 1.00 1.40 H new ATOM 906 N ASN A 420 -0.400 14.194 -4.063 1.00 0.61 N ATOM 907 CA ASN A 420 -1.202 14.517 -5.238 1.00 0.63 C ATOM 908 C ASN A 420 -2.227 13.419 -5.532 1.00 0.56 C ATOM 909 O ASN A 420 -1.926 12.229 -5.441 1.00 0.56 O ATOM 910 CB ASN A 420 -0.281 14.752 -6.439 1.00 0.75 C ATOM 911 CG ASN A 420 0.708 13.625 -6.651 1.00 1.57 C ATOM 912 OD1 ASN A 420 1.268 13.083 -5.698 1.00 2.53 O ATOM 913 ND2 ASN A 420 0.965 13.300 -7.907 1.00 1.98 N ATOM 0 H ASN A 420 0.606 14.286 -4.206 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.762 15.431 -5.039 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.887 14.871 -7.337 1.00 0.75 H new ATOM 0 HB3 ASN A 420 0.264 15.685 -6.296 1.00 0.75 H new ATOM 0 HD21 ASN A 420 1.651 12.574 -8.116 1.00 1.98 H new ATOM 0 HD22 ASN A 420 0.477 13.775 -8.667 1.00 1.98 H new ATOM 920 N ARG A 421 -3.451 13.839 -5.850 1.00 0.62 N ATOM 921 CA ARG A 421 -4.553 12.914 -6.125 1.00 0.67 C ATOM 922 C ARG A 421 -4.241 11.941 -7.260 1.00 0.66 C ATOM 923 O ARG A 421 -4.598 10.768 -7.184 1.00 0.69 O ATOM 924 CB ARG A 421 -5.828 13.693 -6.449 1.00 0.87 C ATOM 925 CG ARG A 421 -6.377 14.478 -5.269 1.00 1.09 C ATOM 926 CD ARG A 421 -7.660 15.209 -5.634 1.00 1.51 C ATOM 927 NE ARG A 421 -8.249 15.891 -4.482 1.00 2.25 N ATOM 928 CZ ARG A 421 -7.647 16.874 -3.816 1.00 3.00 C ATOM 929 NH1 ARG A 421 -6.453 17.308 -4.195 1.00 3.28 N ATOM 930 NH2 ARG A 421 -8.244 17.427 -2.769 1.00 3.98 N ATOM 0 H ARG A 421 -3.707 14.824 -5.924 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.697 12.321 -5.222 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.625 14.381 -7.270 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.591 12.997 -6.798 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.567 13.800 -4.437 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.631 15.197 -4.930 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.452 15.937 -6.419 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.379 14.498 -6.041 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.175 15.596 -4.171 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -5.990 16.888 -5.001 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -5.997 18.062 -3.680 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -9.164 17.099 -2.474 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -7.783 18.180 -2.258 1.00 3.98 H new ATOM 944 N ARG A 422 -3.597 12.425 -8.316 1.00 0.71 N ATOM 945 CA ARG A 422 -3.268 11.572 -9.454 1.00 0.83 C ATOM 946 C ARG A 422 -2.500 10.331 -9.000 1.00 0.72 C ATOM 947 O ARG A 422 -2.595 9.270 -9.618 1.00 0.77 O ATOM 948 CB ARG A 422 -2.466 12.351 -10.497 1.00 1.01 C ATOM 949 CG ARG A 422 -1.173 12.930 -9.962 1.00 1.19 C ATOM 950 CD ARG A 422 -0.531 13.871 -10.967 1.00 1.49 C ATOM 951 NE ARG A 422 -1.380 15.026 -11.247 1.00 2.09 N ATOM 952 CZ ARG A 422 -1.050 15.998 -12.090 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.105 15.955 -12.741 1.00 3.07 N ATOM 954 NH2 ARG A 422 -1.877 17.015 -12.284 1.00 3.71 N ATOM 0 H ARG A 422 -3.294 13.395 -8.409 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.201 11.244 -9.913 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.239 11.692 -11.335 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.083 13.161 -10.886 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.369 13.466 -9.033 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.481 12.122 -9.724 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.431 14.211 -10.583 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.332 13.333 -11.894 1.00 1.49 H new ATOM 0 HE ARG A 422 -2.278 15.090 -10.768 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.744 15.173 -12.595 1.00 3.07 H new ATOM 0 HH12 ARG A 422 0.354 16.704 -13.387 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -2.766 17.051 -11.786 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -1.624 17.762 -12.931 1.00 3.71 H new ATOM 968 N LEU A 423 -1.755 10.471 -7.906 1.00 0.65 N ATOM 969 CA LEU A 423 -0.986 9.367 -7.348 1.00 0.62 C ATOM 970 C LEU A 423 -1.899 8.201 -6.978 1.00 0.52 C ATOM 971 O LEU A 423 -1.509 7.038 -7.083 1.00 0.53 O ATOM 972 CB LEU A 423 -0.226 9.843 -6.111 1.00 0.69 C ATOM 973 CG LEU A 423 1.295 9.676 -6.159 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.881 10.378 -7.375 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.921 10.214 -4.881 1.00 1.49 C ATOM 0 H LEU A 423 -1.669 11.345 -7.387 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.278 9.023 -8.102 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.452 10.897 -5.952 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.605 9.302 -5.244 1.00 0.69 H new ATOM 0 HG LEU A 423 1.522 8.613 -6.242 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.963 10.244 -7.386 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.453 9.952 -8.282 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.647 11.442 -7.329 1.00 1.31 H new ATOM 0 HD21 LEU A 423 3.003 10.090 -4.926 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.681 11.272 -4.776 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.528 9.666 -4.025 1.00 1.49 H new ATOM 987 N ASP A 424 -3.111 8.528 -6.536 1.00 0.49 N ATOM 988 CA ASP A 424 -4.090 7.521 -6.135 1.00 0.50 C ATOM 989 C ASP A 424 -4.213 6.419 -7.183 1.00 0.45 C ATOM 990 O ASP A 424 -4.234 6.687 -8.384 1.00 0.49 O ATOM 991 CB ASP A 424 -5.457 8.169 -5.915 1.00 0.66 C ATOM 992 CG ASP A 424 -5.423 9.272 -4.874 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.347 9.491 -4.280 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.470 9.918 -4.655 1.00 1.20 O ATOM 0 H ASP A 424 -3.440 9.489 -6.446 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.743 7.075 -5.203 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.817 8.578 -6.859 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.171 7.405 -5.606 1.00 0.66 H new ATOM 999 N GLY A 425 -4.297 5.180 -6.713 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.422 4.048 -7.610 1.00 0.50 C ATOM 1001 C GLY A 425 -4.554 2.739 -6.861 1.00 0.45 C ATOM 1002 O GLY A 425 -5.191 2.683 -5.808 1.00 0.70 O ATOM 0 H GLY A 425 -4.281 4.939 -5.722 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.293 4.188 -8.250 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.550 4.005 -8.263 1.00 0.50 H new ATOM 1006 N TRP A 426 -3.948 1.684 -7.395 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.004 0.376 -6.758 1.00 0.44 C ATOM 1008 C TRP A 426 -2.604 -0.207 -6.604 1.00 0.45 C ATOM 1009 O TRP A 426 -1.794 -0.158 -7.529 1.00 0.57 O ATOM 1010 CB TRP A 426 -4.898 -0.577 -7.555 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.288 -0.070 -7.756 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.686 0.989 -8.516 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.463 -0.605 -7.166 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.052 1.138 -8.436 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.551 0.166 -7.606 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.689 -1.669 -6.306 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -9.859 -0.101 -7.206 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -8.984 -1.939 -5.905 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.056 -1.157 -6.356 1.00 0.59 C ATOM 0 H TRP A 426 -3.415 1.710 -8.264 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.436 0.500 -5.765 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.443 -0.759 -8.529 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -4.942 -1.536 -7.039 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.027 1.618 -9.095 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.602 1.852 -8.914 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.867 -2.276 -5.956 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.686 0.501 -7.553 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.172 -2.764 -5.235 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.057 -1.392 -6.027 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.325 -0.745 -5.421 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.018 -1.325 -5.129 1.00 0.46 C ATOM 1032 C VAL A 427 -1.082 -2.845 -5.020 1.00 0.51 C ATOM 1033 O VAL A 427 -2.147 -3.420 -4.801 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.436 -0.753 -3.831 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.155 0.734 -3.976 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.379 -1.013 -2.668 1.00 0.85 C ATOM 0 H VAL A 427 -2.988 -0.792 -4.647 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.369 -1.062 -5.964 1.00 0.46 H new ATOM 0 HB VAL A 427 0.509 -1.256 -3.626 1.00 0.64 H new ATOM 0 HG11 VAL A 427 0.257 1.119 -3.043 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.561 0.892 -4.782 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.082 1.259 -4.207 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.952 -0.601 -1.754 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.340 -0.538 -2.866 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.523 -2.087 -2.549 1.00 0.85 H new ATOM 1046 N GLY A 428 0.070 -3.488 -5.195 1.00 0.52 N ATOM 1047 CA GLY A 428 0.136 -4.938 -5.134 1.00 0.65 C ATOM 1048 C GLY A 428 0.108 -5.511 -3.724 1.00 0.79 C ATOM 1049 O GLY A 428 0.735 -6.536 -3.468 1.00 1.72 O ATOM 0 H GLY A 428 0.962 -3.028 -5.379 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -0.700 -5.351 -5.698 1.00 0.65 H new ATOM 0 HA3 GLY A 428 1.049 -5.269 -5.629 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.638 -4.877 -2.817 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.757 -5.365 -1.436 1.00 0.54 C ATOM 1055 C ARG A 429 0.525 -5.187 -0.620 1.00 0.49 C ATOM 1056 O ARG A 429 0.550 -4.382 0.308 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.221 -6.822 -1.416 1.00 0.68 C ATOM 1058 CG ARG A 429 -0.993 -7.537 -0.089 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.609 -6.783 1.080 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.354 -7.452 2.353 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.592 -6.899 3.539 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -2.047 -5.657 3.616 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.362 -7.586 4.650 1.00 1.65 N ATOM 0 H ARG A 429 -1.168 -4.027 -3.010 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.513 -4.746 -0.953 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.284 -6.855 -1.655 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.700 -7.367 -2.203 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.420 -8.539 -0.139 1.00 0.83 H new ATOM 0 HG3 ARG A 429 0.077 -7.655 0.080 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.204 -5.772 1.114 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.684 -6.691 0.927 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.972 -8.397 2.331 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -2.216 -5.122 2.764 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -2.228 -5.236 4.527 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.002 -8.539 4.595 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -1.545 -7.161 5.559 1.00 1.65 H new ATOM 1077 N HIS A 430 1.572 -5.959 -0.930 1.00 0.49 N ATOM 1078 CA HIS A 430 2.834 -5.874 -0.181 1.00 0.53 C ATOM 1079 C HIS A 430 3.259 -4.425 0.047 1.00 0.47 C ATOM 1080 O HIS A 430 4.109 -4.140 0.890 1.00 0.49 O ATOM 1081 CB HIS A 430 3.960 -6.625 -0.896 1.00 0.65 C ATOM 1082 CG HIS A 430 4.197 -6.182 -2.306 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.336 -6.476 -3.340 1.00 1.20 N ATOM 1084 CD2 HIS A 430 5.203 -5.457 -2.849 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.802 -5.951 -4.459 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.933 -5.328 -4.188 1.00 1.46 N ATOM 0 H HIS A 430 1.573 -6.644 -1.686 1.00 0.49 H new ATOM 0 HA HIS A 430 2.652 -6.342 0.786 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.882 -6.500 -0.328 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.728 -7.690 -0.896 1.00 0.65 H new ATOM 0 HD1 HIS A 430 2.474 -7.015 -3.255 1.00 1.20 H new ATOM 0 HD2 HIS A 430 6.058 -5.055 -2.326 1.00 1.47 H new ATOM 0 HE1 HIS A 430 3.336 -6.020 -5.431 1.00 1.31 H new ATOM 1095 N ARG A 431 2.659 -3.519 -0.710 1.00 0.43 N ATOM 1096 CA ARG A 431 2.959 -2.101 -0.606 1.00 0.41 C ATOM 1097 C ARG A 431 2.282 -1.477 0.616 1.00 0.37 C ATOM 1098 O ARG A 431 2.875 -0.643 1.300 1.00 0.57 O ATOM 1099 CB ARG A 431 2.507 -1.404 -1.882 1.00 0.44 C ATOM 1100 CG ARG A 431 3.433 -1.651 -3.065 1.00 0.53 C ATOM 1101 CD ARG A 431 3.035 -0.820 -4.277 1.00 0.64 C ATOM 1102 NE ARG A 431 4.030 -0.895 -5.347 1.00 1.39 N ATOM 1103 CZ ARG A 431 4.348 -2.015 -5.993 1.00 2.05 C ATOM 1104 NH1 ARG A 431 3.740 -3.156 -5.698 1.00 2.55 N ATOM 1105 NH2 ARG A 431 5.275 -1.992 -6.941 1.00 2.84 N ATOM 0 H ARG A 431 1.953 -3.746 -1.411 1.00 0.43 H new ATOM 0 HA ARG A 431 4.034 -1.976 -0.480 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.504 -1.745 -2.138 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.442 -0.332 -1.698 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.458 -1.412 -2.781 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.414 -2.709 -3.327 1.00 0.53 H new ATOM 0 HD2 ARG A 431 2.072 -1.166 -4.653 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.905 0.220 -3.976 1.00 0.64 H new ATOM 0 HE ARG A 431 4.510 -0.036 -5.615 1.00 1.39 H new ATOM 0 HH11 ARG A 431 3.024 -3.179 -4.972 1.00 2.55 H new ATOM 0 HH12 ARG A 431 3.989 -4.010 -6.197 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.744 -1.117 -7.175 1.00 2.84 H new ATOM 0 HH22 ARG A 431 5.519 -2.850 -7.436 1.00 2.84 H new ATOM 1119 N ILE A 432 1.050 -1.894 0.897 1.00 0.39 N ATOM 1120 CA ILE A 432 0.317 -1.379 2.051 1.00 0.36 C ATOM 1121 C ILE A 432 0.650 -2.198 3.293 1.00 0.38 C ATOM 1122 O ILE A 432 0.641 -3.429 3.256 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.211 -1.415 1.826 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.592 -0.568 0.612 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.941 -0.926 3.069 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.050 -0.689 0.222 1.00 0.46 C ATOM 0 H ILE A 432 0.540 -2.584 0.345 1.00 0.39 H new ATOM 0 HA ILE A 432 0.622 -0.342 2.188 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.509 -2.446 1.633 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.367 0.477 0.824 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.972 -0.863 -0.235 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -3.017 -0.957 2.895 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.691 -1.568 3.914 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.639 0.098 3.289 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.248 -0.061 -0.647 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.277 -1.727 -0.022 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.677 -0.366 1.053 1.00 0.46 H new ATOM 1138 N SER A 433 0.958 -1.507 4.386 1.00 0.34 N ATOM 1139 CA SER A 433 1.315 -2.169 5.638 1.00 0.38 C ATOM 1140 C SER A 433 1.238 -1.201 6.813 1.00 0.36 C ATOM 1141 O SER A 433 1.598 -0.030 6.692 1.00 0.34 O ATOM 1142 CB SER A 433 2.729 -2.744 5.538 1.00 0.41 C ATOM 1143 OG SER A 433 2.784 -3.820 4.617 1.00 0.53 O ATOM 0 H SER A 433 0.968 -0.488 4.431 1.00 0.34 H new ATOM 0 HA SER A 433 0.602 -2.976 5.810 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.421 -1.961 5.227 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.055 -3.086 6.520 1.00 0.41 H new ATOM 0 HG SER A 433 1.880 -4.026 4.300 1.00 0.53 H new ATOM 1149 N ASP A 434 0.771 -1.702 7.954 1.00 0.43 N ATOM 1150 CA ASP A 434 0.651 -0.886 9.156 1.00 0.48 C ATOM 1151 C ASP A 434 2.006 -0.313 9.559 1.00 0.48 C ATOM 1152 O ASP A 434 2.083 0.734 10.201 1.00 0.74 O ATOM 1153 CB ASP A 434 0.070 -1.714 10.304 1.00 0.60 C ATOM 1154 CG ASP A 434 0.939 -2.904 10.659 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.157 -3.763 9.779 1.00 1.12 O ATOM 1156 OD2 ASP A 434 1.402 -2.977 11.817 1.00 1.35 O ATOM 0 H ASP A 434 0.470 -2.670 8.070 1.00 0.43 H new ATOM 0 HA ASP A 434 -0.024 -0.058 8.939 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.048 -1.079 11.182 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.925 -2.064 10.028 1.00 0.60 H new ATOM 1161 N ASN A 435 3.075 -1.006 9.172 1.00 0.43 N ATOM 1162 CA ASN A 435 4.429 -0.563 9.488 1.00 0.47 C ATOM 1163 C ASN A 435 5.247 -0.366 8.215 1.00 0.39 C ATOM 1164 O ASN A 435 5.212 -1.196 7.305 1.00 0.38 O ATOM 1165 CB ASN A 435 5.118 -1.569 10.416 1.00 0.59 C ATOM 1166 CG ASN A 435 5.189 -2.963 9.823 1.00 1.26 C ATOM 1167 OD1 ASN A 435 5.835 -3.184 8.798 1.00 2.16 O ATOM 1168 ND2 ASN A 435 4.520 -3.914 10.465 1.00 1.81 N ATOM 0 H ASN A 435 3.029 -1.875 8.640 1.00 0.43 H new ATOM 0 HA ASN A 435 4.362 0.396 10.002 1.00 0.47 H new ATOM 0 HB2 ASN A 435 6.127 -1.221 10.636 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.581 -1.609 11.364 1.00 0.59 H new ATOM 0 HD21 ASN A 435 4.529 -4.871 10.112 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.997 -3.687 11.311 1.00 1.81 H new ATOM 1175 N ALA A 436 5.974 0.745 8.155 1.00 0.49 N ATOM 1176 CA ALA A 436 6.797 1.069 6.995 1.00 0.55 C ATOM 1177 C ALA A 436 8.012 0.151 6.893 1.00 0.55 C ATOM 1178 O ALA A 436 8.716 0.152 5.883 1.00 0.54 O ATOM 1179 CB ALA A 436 7.243 2.522 7.059 1.00 0.75 C ATOM 0 H ALA A 436 6.010 1.440 8.901 1.00 0.49 H new ATOM 0 HA ALA A 436 6.189 0.917 6.103 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.857 2.753 6.188 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.368 3.171 7.068 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.825 2.684 7.966 1.00 0.75 H new ATOM 1185 N ASP A 437 8.262 -0.618 7.949 1.00 0.65 N ATOM 1186 CA ASP A 437 9.403 -1.528 7.982 1.00 0.75 C ATOM 1187 C ASP A 437 9.372 -2.516 6.817 1.00 0.71 C ATOM 1188 O ASP A 437 10.407 -2.807 6.215 1.00 0.78 O ATOM 1189 CB ASP A 437 9.436 -2.287 9.310 1.00 0.92 C ATOM 1190 CG ASP A 437 9.569 -1.360 10.502 1.00 1.02 C ATOM 1191 OD1 ASP A 437 8.676 -0.507 10.692 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.565 -1.488 11.245 1.00 1.34 O ATOM 0 H ASP A 437 7.690 -0.629 8.793 1.00 0.65 H new ATOM 0 HA ASP A 437 10.307 -0.926 7.886 1.00 0.75 H new ATOM 0 HB2 ASP A 437 8.525 -2.876 9.411 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.270 -2.989 9.304 1.00 0.92 H new ATOM 1197 N ASP A 438 8.187 -3.032 6.501 1.00 0.68 N ATOM 1198 CA ASP A 438 8.045 -3.988 5.405 1.00 0.73 C ATOM 1199 C ASP A 438 7.937 -3.278 4.060 1.00 0.73 C ATOM 1200 O ASP A 438 7.487 -3.861 3.073 1.00 1.35 O ATOM 1201 CB ASP A 438 6.820 -4.878 5.626 1.00 0.88 C ATOM 1202 CG ASP A 438 6.938 -5.729 6.876 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.898 -6.523 6.966 1.00 1.36 O ATOM 1204 OD2 ASP A 438 6.072 -5.599 7.767 1.00 1.56 O ATOM 0 H ASP A 438 7.317 -2.807 6.984 1.00 0.68 H new ATOM 0 HA ASP A 438 8.940 -4.610 5.391 1.00 0.73 H new ATOM 0 HB2 ASP A 438 5.930 -4.254 5.698 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.685 -5.526 4.760 1.00 0.88 H new ATOM 1209 N LEU A 439 8.353 -2.017 4.027 1.00 0.54 N ATOM 1210 CA LEU A 439 8.306 -1.226 2.807 1.00 0.53 C ATOM 1211 C LEU A 439 9.707 -0.793 2.374 1.00 0.61 C ATOM 1212 O LEU A 439 10.420 -1.552 1.719 1.00 0.86 O ATOM 1213 CB LEU A 439 7.400 -0.010 2.998 1.00 0.52 C ATOM 1214 CG LEU A 439 5.904 -0.315 3.012 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.527 -1.131 4.235 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.095 0.972 2.959 1.00 1.10 C ATOM 0 H LEU A 439 8.728 -1.521 4.836 1.00 0.54 H new ATOM 0 HA LEU A 439 7.892 -1.849 2.015 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.665 0.478 3.936 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.602 0.704 2.200 1.00 0.52 H new ATOM 0 HG LEU A 439 5.672 -0.906 2.126 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.456 -1.335 4.221 1.00 1.12 H new ATOM 0 HD12 LEU A 439 6.076 -2.073 4.227 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.778 -0.572 5.137 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.031 0.734 2.970 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.337 1.590 3.824 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.336 1.516 2.046 1.00 1.10 H new ATOM 1228 N GLY A 440 10.101 0.429 2.740 1.00 0.59 N ATOM 1229 CA GLY A 440 11.416 0.919 2.364 1.00 0.77 C ATOM 1230 C GLY A 440 11.759 2.262 2.982 1.00 0.96 C ATOM 1231 O GLY A 440 12.338 3.122 2.318 1.00 1.36 O ATOM 0 H GLY A 440 9.537 1.081 3.285 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.167 0.188 2.663 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.467 1.003 1.278 1.00 0.77 H new ATOM 1235 N GLY A 441 11.420 2.439 4.257 1.00 0.93 N ATOM 1236 CA GLY A 441 11.726 3.685 4.939 1.00 1.24 C ATOM 1237 C GLY A 441 10.971 4.873 4.382 1.00 1.14 C ATOM 1238 O GLY A 441 10.667 4.921 3.190 1.00 1.83 O ATOM 0 H GLY A 441 10.940 1.744 4.828 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.492 3.578 5.998 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.796 3.877 4.867 1.00 1.24 H new ATOM 1242 N ILE A 442 10.686 5.850 5.244 1.00 1.10 N ATOM 1243 CA ILE A 442 9.987 7.054 4.821 1.00 1.03 C ATOM 1244 C ILE A 442 10.828 7.780 3.787 1.00 1.05 C ATOM 1245 O ILE A 442 11.668 8.620 4.118 1.00 1.39 O ATOM 1246 CB ILE A 442 9.676 7.994 6.007 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.565 7.406 6.887 1.00 1.41 C ATOM 1248 CG2 ILE A 442 9.270 9.376 5.510 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.871 6.038 7.450 1.00 1.48 C ATOM 0 H ILE A 442 10.929 5.827 6.234 1.00 1.10 H new ATOM 0 HA ILE A 442 9.032 6.757 4.389 1.00 1.03 H new ATOM 0 HB ILE A 442 10.582 8.091 6.605 1.00 1.26 H new ATOM 0 HG12 ILE A 442 8.373 8.090 7.713 1.00 1.41 H new ATOM 0 HG13 ILE A 442 7.648 7.347 6.301 1.00 1.41 H new ATOM 0 HG21 ILE A 442 9.056 10.021 6.362 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.083 9.806 4.925 1.00 1.38 H new ATOM 0 HG23 ILE A 442 8.380 9.291 4.886 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.033 5.699 8.059 1.00 1.48 H new ATOM 0 HD12 ILE A 442 9.033 5.336 6.632 1.00 1.48 H new ATOM 0 HD13 ILE A 442 9.769 6.091 8.066 1.00 1.48 H new