USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 GLN : amide:sc= -1.13 K(o=-0.97,f=-2.6) USER MOD Set 1.2: A 415 HIS : no HE2:sc= 0.166 K(o=-0.97,f=-2.6!) USER MOD Single : A 376 SER OG : rot 59:sc= 0.346 USER MOD Single : A 378 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.14) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 391 THR OG1 : rot -106:sc= 1.25 USER MOD Single : A 393 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.12) USER MOD Single : A 399 GLN : amide:sc= -0.932 K(o=-0.93,f=-2.3!) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot -170:sc= -0.422 USER MOD Single : A 405 ASN : amide:sc= -4.15! K(o=-4.1!,f=-1) USER MOD Single : A 412 TYR OH : rot 177:sc= 0.349 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= -5.7! C(o=-5.7!,f=-19!) USER MOD Single : A 430 HIS : no HD1:sc= -3.17 K(o=-3.2,f=-6.1!) USER MOD Single : A 433 SER OG : rot -6:sc= 0.978 USER MOD Single : A 435 ASN : amide:sc= -4.35! C(o=-4.3!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -7.335 -7.953 3.919 1.00 1.42 N ATOM 158 CA ILE A 373 -7.628 -6.994 4.978 1.00 1.22 C ATOM 159 C ILE A 373 -9.052 -6.458 4.854 1.00 1.13 C ATOM 160 O ILE A 373 -9.502 -6.111 3.762 1.00 1.20 O ATOM 161 CB ILE A 373 -6.636 -5.811 4.943 1.00 1.16 C ATOM 162 CG1 ILE A 373 -5.222 -6.291 5.284 1.00 1.40 C ATOM 163 CG2 ILE A 373 -7.078 -4.709 5.895 1.00 1.26 C ATOM 164 CD1 ILE A 373 -4.178 -5.194 5.234 1.00 1.48 C ATOM 0 HA ILE A 373 -7.526 -7.520 5.927 1.00 1.22 H new ATOM 0 HB ILE A 373 -6.625 -5.399 3.934 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -5.228 -6.730 6.282 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -4.939 -7.082 4.589 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -6.365 -3.886 5.854 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -8.065 -4.350 5.602 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -7.121 -5.102 6.911 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -3.202 -5.609 5.487 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -4.143 -4.770 4.230 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -4.436 -4.413 5.949 1.00 1.48 H new ATOM 176 N ASP A 374 -9.757 -6.395 5.981 1.00 1.16 N ATOM 177 CA ASP A 374 -11.114 -5.913 6.009 1.00 1.17 C ATOM 178 C ASP A 374 -11.149 -4.400 6.199 1.00 1.03 C ATOM 179 O ASP A 374 -10.812 -3.889 7.266 1.00 1.25 O ATOM 180 CB ASP A 374 -11.844 -6.608 7.146 1.00 1.40 C ATOM 181 CG ASP A 374 -12.194 -8.045 6.821 1.00 1.77 C ATOM 182 OD1 ASP A 374 -12.926 -8.269 5.833 1.00 2.04 O ATOM 183 OD2 ASP A 374 -11.736 -8.948 7.552 1.00 2.17 O ATOM 0 H ASP A 374 -9.395 -6.678 6.892 1.00 1.16 H new ATOM 0 HA ASP A 374 -11.602 -6.135 5.060 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -11.222 -6.583 8.041 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -12.757 -6.059 7.376 1.00 1.40 H new ATOM 188 N ILE A 375 -11.553 -3.692 5.150 1.00 0.84 N ATOM 189 CA ILE A 375 -11.630 -2.237 5.187 1.00 0.76 C ATOM 190 C ILE A 375 -12.852 -1.759 5.961 1.00 0.76 C ATOM 191 O ILE A 375 -12.807 -0.721 6.619 1.00 0.79 O ATOM 192 CB ILE A 375 -11.673 -1.646 3.768 1.00 0.77 C ATOM 193 CG1 ILE A 375 -10.408 -2.037 3.001 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.825 -0.132 3.836 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.413 -1.607 1.551 1.00 0.92 C ATOM 0 H ILE A 375 -11.833 -4.105 4.260 1.00 0.84 H new ATOM 0 HA ILE A 375 -10.731 -1.890 5.696 1.00 0.76 H new ATOM 0 HB ILE A 375 -12.534 -2.050 3.236 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.543 -1.597 3.497 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -10.286 -3.119 3.048 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.854 0.276 2.826 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.750 0.118 4.355 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.979 0.295 4.375 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.484 -1.920 1.075 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -11.257 -2.068 1.038 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.502 -0.522 1.494 1.00 0.92 H new ATOM 207 N SER A 376 -13.943 -2.510 5.856 1.00 0.79 N ATOM 208 CA SER A 376 -15.191 -2.163 6.529 1.00 0.87 C ATOM 209 C SER A 376 -15.083 -2.339 8.040 1.00 0.96 C ATOM 210 O SER A 376 -15.767 -3.176 8.631 1.00 1.54 O ATOM 211 CB SER A 376 -16.335 -3.010 5.982 1.00 0.95 C ATOM 212 OG SER A 376 -16.094 -4.391 6.185 1.00 1.71 O ATOM 0 H SER A 376 -13.989 -3.369 5.308 1.00 0.79 H new ATOM 0 HA SER A 376 -15.394 -1.111 6.331 1.00 0.87 H new ATOM 0 HB2 SER A 376 -17.267 -2.725 6.470 1.00 0.95 H new ATOM 0 HB3 SER A 376 -16.460 -2.813 4.917 1.00 0.95 H new ATOM 0 HG SER A 376 -15.986 -4.567 7.143 1.00 1.71 H new ATOM 218 N GLU A 377 -14.222 -1.543 8.655 1.00 0.93 N ATOM 219 CA GLU A 377 -14.010 -1.591 10.091 1.00 1.03 C ATOM 220 C GLU A 377 -13.069 -0.479 10.516 1.00 0.87 C ATOM 221 O GLU A 377 -13.114 -0.007 11.652 1.00 0.93 O ATOM 222 CB GLU A 377 -13.435 -2.942 10.509 1.00 1.18 C ATOM 223 CG GLU A 377 -12.078 -3.245 9.896 1.00 1.28 C ATOM 224 CD GLU A 377 -11.528 -4.588 10.336 1.00 1.54 C ATOM 225 OE1 GLU A 377 -12.189 -5.615 10.076 1.00 1.92 O ATOM 226 OE2 GLU A 377 -10.435 -4.611 10.939 1.00 1.90 O ATOM 0 H GLU A 377 -13.652 -0.848 8.173 1.00 0.93 H new ATOM 0 HA GLU A 377 -14.973 -1.456 10.583 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -13.347 -2.969 11.595 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -14.135 -3.728 10.226 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -12.162 -3.229 8.809 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -11.375 -2.460 10.173 1.00 1.28 H new ATOM 233 N ASN A 378 -12.214 -0.069 9.589 1.00 0.71 N ATOM 234 CA ASN A 378 -11.248 0.992 9.862 1.00 0.61 C ATOM 235 C ASN A 378 -10.910 1.805 8.617 1.00 0.58 C ATOM 236 O ASN A 378 -9.753 1.874 8.202 1.00 0.59 O ATOM 237 CB ASN A 378 -9.972 0.411 10.477 1.00 0.62 C ATOM 238 CG ASN A 378 -10.062 0.253 11.984 1.00 1.15 C ATOM 239 OD1 ASN A 378 -9.523 -0.698 12.550 1.00 1.16 O ATOM 240 ND2 ASN A 378 -10.705 1.209 12.651 1.00 2.14 N ATOM 0 H ASN A 378 -12.168 -0.452 8.645 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.715 1.671 10.575 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -9.767 -0.560 10.026 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.130 1.059 10.234 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.764 1.170 13.669 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -11.139 1.981 12.145 1.00 2.14 H new ATOM 247 N PRO A 379 -11.921 2.449 8.012 1.00 0.62 N ATOM 248 CA PRO A 379 -11.730 3.281 6.817 1.00 0.65 C ATOM 249 C PRO A 379 -10.688 4.377 7.033 1.00 0.61 C ATOM 250 O PRO A 379 -9.878 4.664 6.151 1.00 0.62 O ATOM 251 CB PRO A 379 -13.108 3.916 6.622 1.00 0.77 C ATOM 252 CG PRO A 379 -14.054 2.955 7.244 1.00 0.85 C ATOM 253 CD PRO A 379 -13.332 2.427 8.446 1.00 0.75 C ATOM 0 HA PRO A 379 -11.372 2.700 5.967 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -13.165 4.894 7.100 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -13.331 4.064 5.565 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.986 3.445 7.526 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -14.312 2.152 6.554 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -13.496 3.052 9.324 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -13.660 1.421 8.706 1.00 0.75 H new ATOM 261 N ASP A 380 -10.731 4.990 8.212 1.00 0.62 N ATOM 262 CA ASP A 380 -9.809 6.068 8.564 1.00 0.64 C ATOM 263 C ASP A 380 -8.381 5.560 8.748 1.00 0.55 C ATOM 264 O ASP A 380 -7.423 6.298 8.516 1.00 0.55 O ATOM 265 CB ASP A 380 -10.278 6.767 9.841 1.00 0.75 C ATOM 266 CG ASP A 380 -11.655 7.382 9.690 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.826 8.246 8.804 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.563 7.002 10.459 1.00 1.20 O ATOM 0 H ASP A 380 -11.400 4.757 8.946 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.806 6.778 7.737 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.292 6.049 10.661 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.563 7.545 10.110 1.00 0.75 H new ATOM 273 N LYS A 381 -8.246 4.307 9.181 1.00 0.51 N ATOM 274 CA LYS A 381 -6.929 3.713 9.412 1.00 0.47 C ATOM 275 C LYS A 381 -5.978 4.026 8.260 1.00 0.39 C ATOM 276 O LYS A 381 -6.318 3.847 7.091 1.00 0.37 O ATOM 277 CB LYS A 381 -7.053 2.199 9.599 1.00 0.50 C ATOM 278 CG LYS A 381 -5.727 1.504 9.860 1.00 0.52 C ATOM 279 CD LYS A 381 -5.917 0.020 10.127 1.00 0.59 C ATOM 280 CE LYS A 381 -4.585 -0.686 10.332 1.00 0.67 C ATOM 281 NZ LYS A 381 -4.763 -2.141 10.599 1.00 1.66 N ATOM 0 H LYS A 381 -9.030 3.685 9.379 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.517 4.148 10.322 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.728 1.999 10.431 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -7.510 1.768 8.708 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -5.070 1.639 9.001 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -5.234 1.968 10.714 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -6.541 -0.115 11.011 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -6.447 -0.436 9.291 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.963 -0.553 9.447 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -4.055 -0.226 11.166 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -3.832 -2.586 10.733 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -5.335 -2.269 11.458 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -5.246 -2.585 9.792 1.00 1.66 H new ATOM 295 N ILE A 382 -4.790 4.513 8.606 1.00 0.40 N ATOM 296 CA ILE A 382 -3.784 4.871 7.614 1.00 0.35 C ATOM 297 C ILE A 382 -2.843 3.704 7.325 1.00 0.34 C ATOM 298 O ILE A 382 -2.367 3.040 8.246 1.00 0.41 O ATOM 299 CB ILE A 382 -2.949 6.079 8.090 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.863 7.233 8.519 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.995 6.530 6.995 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.769 7.741 7.418 1.00 0.37 C ATOM 0 H ILE A 382 -4.500 4.669 9.572 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.318 5.131 6.700 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.361 5.771 8.954 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.476 6.905 9.358 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.247 8.057 8.878 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.414 7.382 7.347 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.321 5.712 6.740 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.565 6.819 6.112 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.384 8.556 7.800 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.164 8.102 6.586 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.413 6.931 7.074 1.00 0.37 H new ATOM 314 N TYR A 383 -2.568 3.463 6.043 1.00 0.30 N ATOM 315 CA TYR A 383 -1.671 2.379 5.648 1.00 0.30 C ATOM 316 C TYR A 383 -0.481 2.942 4.881 1.00 0.28 C ATOM 317 O TYR A 383 -0.630 3.885 4.114 1.00 0.25 O ATOM 318 CB TYR A 383 -2.409 1.356 4.775 1.00 0.32 C ATOM 319 CG TYR A 383 -3.635 0.751 5.425 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.709 1.550 5.794 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.712 -0.612 5.680 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.827 1.008 6.397 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.828 -1.162 6.282 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.893 -0.372 6.598 1.00 0.52 C ATOM 325 OH TYR A 383 -6.994 -0.892 7.241 1.00 0.63 O ATOM 0 H TYR A 383 -2.951 4.000 5.265 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.318 1.879 6.550 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.706 1.838 3.844 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.718 0.555 4.513 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.669 2.613 5.606 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.887 -1.252 5.404 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.641 1.645 6.710 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.856 -2.219 6.502 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.903 -1.865 7.309 1.00 0.63 H new ATOM 335 N PHE A 384 0.699 2.368 5.084 1.00 0.31 N ATOM 336 CA PHE A 384 1.891 2.844 4.388 1.00 0.30 C ATOM 337 C PHE A 384 2.106 2.062 3.095 1.00 0.28 C ATOM 338 O PHE A 384 1.973 0.839 3.072 1.00 0.33 O ATOM 339 CB PHE A 384 3.135 2.737 5.276 1.00 0.40 C ATOM 340 CG PHE A 384 2.976 3.340 6.647 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.133 2.764 7.588 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.684 4.479 6.997 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.001 3.317 8.848 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.555 5.033 8.255 1.00 0.64 C ATOM 345 CZ PHE A 384 2.712 4.453 9.182 1.00 0.74 C ATOM 0 H PHE A 384 0.857 1.583 5.716 1.00 0.31 H new ATOM 0 HA PHE A 384 1.733 3.895 4.146 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.400 1.685 5.384 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.969 3.226 4.772 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.575 1.875 7.333 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.345 4.939 6.277 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.342 2.861 9.571 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.114 5.920 8.514 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.609 4.887 10.166 1.00 0.74 H new ATOM 355 N ILE A 385 2.435 2.774 2.020 1.00 0.26 N ATOM 356 CA ILE A 385 2.663 2.138 0.729 1.00 0.27 C ATOM 357 C ILE A 385 4.030 2.515 0.170 1.00 0.24 C ATOM 358 O ILE A 385 4.375 3.693 0.087 1.00 0.30 O ATOM 359 CB ILE A 385 1.586 2.518 -0.306 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.189 2.332 0.282 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.746 1.675 -1.563 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.236 3.448 1.209 1.00 0.32 C ATOM 0 H ILE A 385 2.549 3.788 2.019 1.00 0.26 H new ATOM 0 HA ILE A 385 2.615 1.063 0.905 1.00 0.27 H new ATOM 0 HB ILE A 385 1.712 3.568 -0.569 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.531 2.255 -0.533 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.157 1.388 0.826 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.980 1.952 -2.287 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.732 1.848 -1.994 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.641 0.620 -1.309 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.238 3.245 1.587 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.461 3.512 2.045 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.237 4.392 0.665 1.00 0.32 H new ATOM 374 N ARG A 386 4.801 1.505 -0.211 1.00 0.29 N ATOM 375 CA ARG A 386 6.131 1.725 -0.763 1.00 0.30 C ATOM 376 C ARG A 386 6.051 2.077 -2.244 1.00 0.33 C ATOM 377 O ARG A 386 5.543 1.293 -3.046 1.00 0.42 O ATOM 378 CB ARG A 386 6.988 0.473 -0.568 1.00 0.38 C ATOM 379 CG ARG A 386 8.397 0.608 -1.114 1.00 0.50 C ATOM 380 CD ARG A 386 9.195 -0.672 -0.927 1.00 1.02 C ATOM 381 NE ARG A 386 10.560 -0.543 -1.433 1.00 1.40 N ATOM 382 CZ ARG A 386 11.458 -1.526 -1.421 1.00 1.86 C ATOM 383 NH1 ARG A 386 11.144 -2.723 -0.937 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.677 -1.313 -1.898 1.00 2.39 N ATOM 0 H ARG A 386 4.528 0.524 -0.148 1.00 0.29 H new ATOM 0 HA ARG A 386 6.590 2.562 -0.236 1.00 0.30 H new ATOM 0 HB2 ARG A 386 7.041 0.241 0.496 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.499 -0.371 -1.054 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.355 0.859 -2.174 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.905 1.431 -0.611 1.00 0.50 H new ATOM 0 HD2 ARG A 386 9.223 -0.931 0.132 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.693 -1.491 -1.442 1.00 1.02 H new ATOM 0 HE ARG A 386 10.843 0.357 -1.820 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.208 -2.895 -0.570 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.839 -3.470 -0.932 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.925 -0.397 -2.273 1.00 2.39 H new ATOM 0 HH22 ARG A 386 13.366 -2.065 -1.890 1.00 2.39 H new ATOM 398 N ARG A 387 6.559 3.253 -2.609 1.00 0.41 N ATOM 399 CA ARG A 387 6.535 3.675 -4.005 1.00 0.51 C ATOM 400 C ARG A 387 7.581 2.915 -4.814 1.00 0.49 C ATOM 401 O ARG A 387 8.453 2.253 -4.248 1.00 0.47 O ATOM 402 CB ARG A 387 6.755 5.184 -4.127 1.00 0.63 C ATOM 403 CG ARG A 387 5.711 6.008 -3.390 1.00 0.84 C ATOM 404 CD ARG A 387 5.736 7.464 -3.829 1.00 0.94 C ATOM 405 NE ARG A 387 7.062 8.058 -3.694 1.00 1.32 N ATOM 406 CZ ARG A 387 7.341 9.319 -4.008 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.387 10.118 -4.470 1.00 2.30 N ATOM 408 NH2 ARG A 387 8.574 9.784 -3.860 1.00 2.25 N ATOM 0 H ARG A 387 6.986 3.921 -1.967 1.00 0.41 H new ATOM 0 HA ARG A 387 5.549 3.443 -4.409 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.743 5.432 -3.739 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.748 5.461 -5.181 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.721 5.589 -3.572 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.890 5.948 -2.317 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.412 7.534 -4.867 1.00 0.94 H new ATOM 0 HD3 ARG A 387 5.022 8.033 -3.234 1.00 0.94 H new ATOM 0 HE ARG A 387 7.818 7.472 -3.339 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.437 9.765 -4.585 1.00 2.30 H new ATOM 0 HH12 ARG A 387 6.604 11.085 -4.710 1.00 2.30 H new ATOM 0 HH21 ARG A 387 9.310 9.174 -3.505 1.00 2.25 H new ATOM 0 HH22 ARG A 387 8.786 10.752 -4.101 1.00 2.25 H new ATOM 422 N GLU A 388 7.479 3.001 -6.137 1.00 0.64 N ATOM 423 CA GLU A 388 8.409 2.312 -7.029 1.00 0.69 C ATOM 424 C GLU A 388 9.859 2.577 -6.634 1.00 0.61 C ATOM 425 O GLU A 388 10.677 1.658 -6.596 1.00 0.63 O ATOM 426 CB GLU A 388 8.179 2.742 -8.482 1.00 0.88 C ATOM 427 CG GLU A 388 6.832 2.316 -9.050 1.00 1.58 C ATOM 428 CD GLU A 388 5.662 2.977 -8.349 1.00 2.20 C ATOM 429 OE1 GLU A 388 5.587 4.224 -8.368 1.00 2.82 O ATOM 430 OE2 GLU A 388 4.820 2.250 -7.782 1.00 2.65 O ATOM 0 H GLU A 388 6.760 3.542 -6.617 1.00 0.64 H new ATOM 0 HA GLU A 388 8.220 1.242 -6.938 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.262 3.827 -8.546 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.972 2.325 -9.103 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.798 2.559 -10.112 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.734 1.234 -8.968 1.00 1.58 H new ATOM 437 N ASP A 389 10.172 3.835 -6.342 1.00 0.65 N ATOM 438 CA ASP A 389 11.525 4.213 -5.952 1.00 0.69 C ATOM 439 C ASP A 389 11.914 3.586 -4.614 1.00 0.64 C ATOM 440 O ASP A 389 13.073 3.227 -4.401 1.00 0.91 O ATOM 441 CB ASP A 389 11.662 5.738 -5.883 1.00 0.81 C ATOM 442 CG ASP A 389 10.637 6.386 -4.968 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.775 5.656 -4.434 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.699 7.617 -4.777 1.00 1.23 O ATOM 0 H ASP A 389 9.508 4.609 -6.368 1.00 0.65 H new ATOM 0 HA ASP A 389 12.206 3.834 -6.714 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.663 5.992 -5.535 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.559 6.152 -6.886 1.00 0.81 H new ATOM 449 N GLY A 390 10.944 3.462 -3.711 1.00 0.55 N ATOM 450 CA GLY A 390 11.213 2.883 -2.407 1.00 0.53 C ATOM 451 C GLY A 390 10.685 3.743 -1.276 1.00 0.55 C ATOM 452 O GLY A 390 10.340 3.237 -0.207 1.00 1.03 O ATOM 0 H GLY A 390 9.978 3.752 -3.860 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.759 1.894 -2.351 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.288 2.748 -2.287 1.00 0.53 H new ATOM 456 N THR A 391 10.633 5.048 -1.513 1.00 0.57 N ATOM 457 CA THR A 391 10.156 6.000 -0.517 1.00 0.54 C ATOM 458 C THR A 391 8.719 5.708 -0.095 1.00 0.41 C ATOM 459 O THR A 391 7.783 5.820 -0.891 1.00 0.44 O ATOM 460 CB THR A 391 10.255 7.447 -1.027 1.00 0.71 C ATOM 461 OG1 THR A 391 9.544 7.584 -2.263 1.00 0.98 O ATOM 462 CG2 THR A 391 11.711 7.843 -1.220 1.00 0.88 C ATOM 0 H THR A 391 10.918 5.474 -2.395 1.00 0.57 H new ATOM 0 HA THR A 391 10.804 5.886 0.352 1.00 0.54 H new ATOM 0 HB THR A 391 9.808 8.108 -0.284 1.00 0.71 H new ATOM 0 HG1 THR A 391 10.183 7.648 -3.003 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.764 8.870 -1.581 1.00 0.88 H new ATOM 0 HG22 THR A 391 12.238 7.765 -0.269 1.00 0.88 H new ATOM 0 HG23 THR A 391 12.176 7.178 -1.948 1.00 0.88 H new ATOM 470 N VAL A 392 8.563 5.319 1.167 1.00 0.37 N ATOM 471 CA VAL A 392 7.254 4.999 1.723 1.00 0.33 C ATOM 472 C VAL A 392 6.415 6.259 1.942 1.00 0.32 C ATOM 473 O VAL A 392 6.933 7.308 2.328 1.00 0.41 O ATOM 474 CB VAL A 392 7.390 4.243 3.061 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.023 3.858 3.605 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.271 3.017 2.890 1.00 0.52 C ATOM 0 H VAL A 392 9.334 5.218 1.827 1.00 0.37 H new ATOM 0 HA VAL A 392 6.749 4.361 0.998 1.00 0.33 H new ATOM 0 HB VAL A 392 7.864 4.906 3.785 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.144 3.326 4.549 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.430 4.758 3.769 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.514 3.214 2.888 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.357 2.495 3.843 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.828 2.351 2.150 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.261 3.325 2.554 1.00 0.52 H new ATOM 486 N HIS A 393 5.113 6.135 1.698 1.00 0.29 N ATOM 487 CA HIS A 393 4.171 7.241 1.868 1.00 0.31 C ATOM 488 C HIS A 393 2.825 6.692 2.329 1.00 0.27 C ATOM 489 O HIS A 393 2.442 5.590 1.942 1.00 0.26 O ATOM 490 CB HIS A 393 4.028 8.022 0.560 1.00 0.37 C ATOM 491 CG HIS A 393 5.223 8.871 0.250 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.616 9.932 1.038 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.126 8.799 -0.756 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.706 10.477 0.528 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.035 9.807 -0.560 1.00 1.82 N ATOM 0 H HIS A 393 4.681 5.268 1.378 1.00 0.29 H new ATOM 0 HA HIS A 393 4.547 7.928 2.626 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.865 7.321 -0.259 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.144 8.657 0.617 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.130 8.081 -1.563 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.237 11.326 0.933 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.836 10.007 -1.159 1.00 1.82 H new ATOM 504 N ARG A 394 2.117 7.438 3.176 1.00 0.29 N ATOM 505 CA ARG A 394 0.846 6.973 3.691 1.00 0.28 C ATOM 506 C ARG A 394 -0.246 7.050 2.638 1.00 0.26 C ATOM 507 O ARG A 394 -0.266 7.949 1.797 1.00 0.32 O ATOM 508 CB ARG A 394 0.451 7.766 4.934 1.00 0.35 C ATOM 509 CG ARG A 394 1.512 7.759 6.022 1.00 0.42 C ATOM 510 CD ARG A 394 1.085 8.591 7.220 1.00 0.52 C ATOM 511 NE ARG A 394 2.113 8.627 8.258 1.00 1.34 N ATOM 512 CZ ARG A 394 3.315 9.172 8.090 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.635 9.744 6.938 1.00 2.41 N ATOM 514 NH2 ARG A 394 4.196 9.151 9.080 1.00 2.96 N ATOM 0 H ARG A 394 2.405 8.357 3.513 1.00 0.29 H new ATOM 0 HA ARG A 394 0.964 5.925 3.967 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.244 8.797 4.647 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.475 7.356 5.338 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.703 6.734 6.339 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.448 8.149 5.622 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.863 9.607 6.895 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.164 8.181 7.636 1.00 0.52 H new ATOM 0 HE ARG A 394 1.897 8.210 9.163 1.00 1.34 H new ATOM 0 HH11 ARG A 394 2.958 9.768 6.175 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.558 10.160 6.814 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.952 8.717 9.970 1.00 2.96 H new ATOM 0 HH22 ARG A 394 5.118 9.569 8.951 1.00 2.96 H new ATOM 528 N GLY A 395 -1.153 6.091 2.706 1.00 0.23 N ATOM 529 CA GLY A 395 -2.257 6.023 1.781 1.00 0.25 C ATOM 530 C GLY A 395 -3.494 5.468 2.453 1.00 0.23 C ATOM 531 O GLY A 395 -3.459 4.387 3.046 1.00 0.26 O ATOM 0 H GLY A 395 -1.140 5.345 3.401 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.468 7.017 1.387 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.987 5.395 0.932 1.00 0.25 H new ATOM 535 N GLN A 396 -4.580 6.217 2.378 1.00 0.29 N ATOM 536 CA GLN A 396 -5.832 5.814 2.994 1.00 0.34 C ATOM 537 C GLN A 396 -6.592 4.832 2.105 1.00 0.35 C ATOM 538 O GLN A 396 -7.476 5.226 1.342 1.00 0.46 O ATOM 539 CB GLN A 396 -6.679 7.051 3.285 1.00 0.43 C ATOM 540 CG GLN A 396 -6.001 8.028 4.237 1.00 0.50 C ATOM 541 CD GLN A 396 -6.825 9.270 4.486 1.00 0.64 C ATOM 542 OE1 GLN A 396 -7.268 9.941 3.553 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.016 9.589 5.755 1.00 0.61 N ATOM 0 H GLN A 396 -4.620 7.114 1.893 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.613 5.303 3.932 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -6.901 7.561 2.348 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.632 6.739 3.712 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.809 7.529 5.187 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.033 8.316 3.826 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.629 9.001 6.493 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -7.551 10.423 5.996 1.00 0.61 H new ATOM 552 N VAL A 397 -6.240 3.552 2.210 1.00 0.33 N ATOM 553 CA VAL A 397 -6.888 2.511 1.419 1.00 0.33 C ATOM 554 C VAL A 397 -8.390 2.482 1.702 1.00 0.33 C ATOM 555 O VAL A 397 -8.816 2.525 2.857 1.00 0.37 O ATOM 556 CB VAL A 397 -6.241 1.126 1.686 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.228 0.125 2.262 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.625 0.576 0.415 1.00 0.83 C ATOM 0 H VAL A 397 -5.509 3.212 2.835 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.745 2.743 0.364 1.00 0.33 H new ATOM 0 HB VAL A 397 -5.461 1.279 2.432 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.724 -0.827 2.430 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.618 0.501 3.208 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -8.051 -0.018 1.562 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -5.175 -0.396 0.619 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -6.398 0.465 -0.346 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.858 1.262 0.056 1.00 0.83 H new ATOM 568 N LEU A 398 -9.187 2.444 0.637 1.00 0.36 N ATOM 569 CA LEU A 398 -10.640 2.448 0.769 1.00 0.40 C ATOM 570 C LEU A 398 -11.278 1.207 0.146 1.00 0.41 C ATOM 571 O LEU A 398 -12.248 0.669 0.680 1.00 0.47 O ATOM 572 CB LEU A 398 -11.212 3.706 0.115 1.00 0.46 C ATOM 573 CG LEU A 398 -10.675 5.025 0.677 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.116 6.197 -0.185 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.136 5.220 2.114 1.00 1.45 C ATOM 0 H LEU A 398 -8.851 2.410 -0.325 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.875 2.439 1.833 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.001 3.670 -0.954 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.296 3.695 0.226 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.586 4.982 0.665 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.723 7.124 0.233 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.737 6.066 -1.198 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.205 6.242 -0.208 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.745 6.163 2.497 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.225 5.239 2.147 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.769 4.398 2.729 1.00 1.45 H new ATOM 587 N GLN A 399 -10.747 0.769 -0.994 1.00 0.39 N ATOM 588 CA GLN A 399 -11.295 -0.395 -1.688 1.00 0.43 C ATOM 589 C GLN A 399 -10.266 -1.517 -1.829 1.00 0.38 C ATOM 590 O GLN A 399 -9.083 -1.336 -1.543 1.00 0.35 O ATOM 591 CB GLN A 399 -11.805 0.014 -3.072 1.00 0.49 C ATOM 592 CG GLN A 399 -12.912 1.058 -3.033 1.00 0.60 C ATOM 593 CD GLN A 399 -14.174 0.552 -2.360 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.163 0.182 -1.185 1.00 2.08 O ATOM 595 NE2 GLN A 399 -15.272 0.534 -3.105 1.00 2.04 N ATOM 0 H GLN A 399 -9.944 1.198 -1.454 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.120 -0.776 -1.086 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -10.971 0.403 -3.656 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.171 -0.872 -3.591 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -12.553 1.942 -2.505 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.148 1.369 -4.051 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -15.236 0.850 -4.074 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -16.152 0.205 -2.708 1.00 2.04 H new ATOM 604 N SER A 400 -10.744 -2.680 -2.272 1.00 0.42 N ATOM 605 CA SER A 400 -9.899 -3.856 -2.465 1.00 0.41 C ATOM 606 C SER A 400 -10.641 -4.898 -3.299 1.00 0.47 C ATOM 607 O SER A 400 -11.871 -4.951 -3.274 1.00 0.54 O ATOM 608 CB SER A 400 -9.489 -4.452 -1.118 1.00 0.47 C ATOM 609 OG SER A 400 -10.618 -4.916 -0.400 1.00 0.56 O ATOM 0 H SER A 400 -11.725 -2.832 -2.506 1.00 0.42 H new ATOM 0 HA SER A 400 -8.996 -3.553 -2.995 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.793 -5.275 -1.278 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.964 -3.700 -0.529 1.00 0.47 H new ATOM 0 HG SER A 400 -10.328 -5.294 0.457 1.00 0.56 H new ATOM 615 N ARG A 401 -9.904 -5.718 -4.051 1.00 0.51 N ATOM 616 CA ARG A 401 -10.540 -6.730 -4.893 1.00 0.60 C ATOM 617 C ARG A 401 -9.563 -7.825 -5.327 1.00 0.73 C ATOM 618 O ARG A 401 -8.436 -7.548 -5.734 1.00 0.86 O ATOM 619 CB ARG A 401 -11.119 -6.068 -6.146 1.00 0.65 C ATOM 620 CG ARG A 401 -10.045 -5.593 -7.113 1.00 0.72 C ATOM 621 CD ARG A 401 -10.631 -4.939 -8.351 1.00 0.91 C ATOM 622 NE ARG A 401 -9.589 -4.610 -9.320 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.812 -3.965 -10.459 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.039 -3.579 -10.779 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.801 -3.706 -11.278 1.00 1.43 N ATOM 0 H ARG A 401 -8.885 -5.702 -4.094 1.00 0.51 H new ATOM 0 HA ARG A 401 -11.327 -7.193 -4.297 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.773 -6.776 -6.656 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.736 -5.220 -5.851 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.391 -4.884 -6.606 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.427 -6.440 -7.411 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.358 -5.609 -8.809 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.166 -4.033 -8.068 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.632 -4.893 -9.109 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.817 -3.777 -10.149 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.206 -3.084 -11.655 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.856 -4.002 -11.032 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.968 -3.211 -12.154 1.00 1.43 H new ATOM 639 N THR A 402 -10.028 -9.070 -5.278 1.00 0.82 N ATOM 640 CA THR A 402 -9.228 -10.209 -5.709 1.00 0.99 C ATOM 641 C THR A 402 -9.397 -10.408 -7.209 1.00 1.16 C ATOM 642 O THR A 402 -10.511 -10.335 -7.728 1.00 1.79 O ATOM 643 CB THR A 402 -9.646 -11.499 -4.984 1.00 1.14 C ATOM 644 OG1 THR A 402 -11.058 -11.701 -5.112 1.00 1.38 O ATOM 645 CG2 THR A 402 -9.263 -11.440 -3.516 1.00 1.29 C ATOM 0 H THR A 402 -10.959 -9.315 -4.942 1.00 0.82 H new ATOM 0 HA THR A 402 -8.187 -9.999 -5.465 1.00 0.99 H new ATOM 0 HB THR A 402 -9.121 -12.336 -5.445 1.00 1.14 H new ATOM 0 HG1 THR A 402 -11.314 -12.526 -4.649 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.568 -12.363 -3.023 1.00 1.29 H new ATOM 0 HG22 THR A 402 -8.183 -11.321 -3.426 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.762 -10.594 -3.043 1.00 1.29 H new ATOM 653 N THR A 403 -8.295 -10.644 -7.904 1.00 1.43 N ATOM 654 CA THR A 403 -8.337 -10.837 -9.346 1.00 1.62 C ATOM 655 C THR A 403 -9.213 -12.042 -9.712 1.00 1.84 C ATOM 656 O THR A 403 -9.859 -12.635 -8.847 1.00 1.85 O ATOM 657 CB THR A 403 -6.918 -11.023 -9.913 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.006 -10.158 -9.226 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.874 -10.699 -11.399 1.00 1.95 C ATOM 0 H THR A 403 -7.363 -10.706 -7.495 1.00 1.43 H new ATOM 0 HA THR A 403 -8.776 -9.943 -9.789 1.00 1.62 H new ATOM 0 HB THR A 403 -6.633 -12.065 -9.770 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.142 -10.160 -9.688 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.859 -10.839 -11.772 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.553 -11.361 -11.936 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.178 -9.664 -11.555 1.00 1.95 H new ATOM 667 N GLU A 404 -9.243 -12.388 -10.997 1.00 2.08 N ATOM 668 CA GLU A 404 -10.051 -13.504 -11.482 1.00 2.34 C ATOM 669 C GLU A 404 -9.813 -14.777 -10.672 1.00 2.30 C ATOM 670 O GLU A 404 -10.758 -15.494 -10.342 1.00 2.37 O ATOM 671 CB GLU A 404 -9.754 -13.766 -12.960 1.00 2.72 C ATOM 672 CG GLU A 404 -10.024 -12.570 -13.862 1.00 2.91 C ATOM 673 CD GLU A 404 -11.479 -12.136 -13.849 1.00 3.42 C ATOM 674 OE1 GLU A 404 -11.967 -11.717 -12.779 1.00 3.87 O ATOM 675 OE2 GLU A 404 -12.131 -12.217 -14.912 1.00 3.79 O ATOM 0 H GLU A 404 -8.714 -11.908 -11.725 1.00 2.08 H new ATOM 0 HA GLU A 404 -11.098 -13.225 -11.362 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -8.710 -14.060 -13.065 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -10.357 -14.608 -13.299 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -9.398 -11.735 -13.547 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -9.733 -12.818 -14.883 1.00 2.91 H new ATOM 682 N ASN A 405 -8.551 -15.058 -10.358 1.00 2.26 N ATOM 683 CA ASN A 405 -8.207 -16.252 -9.591 1.00 2.30 C ATOM 684 C ASN A 405 -8.952 -16.275 -8.259 1.00 2.07 C ATOM 685 O ASN A 405 -9.562 -17.281 -7.897 1.00 2.40 O ATOM 686 CB ASN A 405 -6.696 -16.316 -9.353 1.00 2.43 C ATOM 687 CG ASN A 405 -6.273 -17.608 -8.681 1.00 2.67 C ATOM 688 OD1 ASN A 405 -6.497 -18.697 -9.209 1.00 3.16 O ATOM 689 ND2 ASN A 405 -5.652 -17.493 -7.514 1.00 2.73 N ATOM 0 H ASN A 405 -7.754 -14.479 -10.621 1.00 2.26 H new ATOM 0 HA ASN A 405 -8.509 -17.126 -10.168 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -6.176 -16.218 -10.306 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -6.392 -15.471 -8.735 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -5.340 -18.328 -7.018 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -5.487 -16.570 -7.113 1.00 2.73 H new ATOM 696 N ALA A 406 -8.903 -15.156 -7.540 1.00 1.82 N ATOM 697 CA ALA A 406 -9.581 -15.036 -6.251 1.00 1.67 C ATOM 698 C ALA A 406 -9.190 -16.168 -5.305 1.00 1.85 C ATOM 699 O ALA A 406 -10.048 -16.848 -4.741 1.00 2.18 O ATOM 700 CB ALA A 406 -11.088 -14.994 -6.445 1.00 1.72 C ATOM 0 H ALA A 406 -8.400 -14.317 -7.829 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.262 -14.100 -5.793 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.577 -14.905 -5.475 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.351 -14.137 -7.065 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.418 -15.910 -6.934 1.00 1.72 H new ATOM 706 N ALA A 407 -7.889 -16.356 -5.134 1.00 1.91 N ATOM 707 CA ALA A 407 -7.363 -17.393 -4.256 1.00 2.19 C ATOM 708 C ALA A 407 -5.988 -16.986 -3.751 1.00 2.37 C ATOM 709 O ALA A 407 -5.265 -17.779 -3.146 1.00 2.77 O ATOM 710 CB ALA A 407 -7.286 -18.720 -4.994 1.00 2.38 C ATOM 0 H ALA A 407 -7.172 -15.798 -5.597 1.00 1.91 H new ATOM 0 HA ALA A 407 -8.032 -17.513 -3.404 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.891 -19.486 -4.326 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -8.282 -19.009 -5.328 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.629 -18.618 -5.858 1.00 2.38 H new ATOM 716 N ALA A 408 -5.649 -15.731 -4.017 1.00 2.15 N ATOM 717 CA ALA A 408 -4.374 -15.150 -3.621 1.00 2.35 C ATOM 718 C ALA A 408 -4.294 -13.693 -4.081 1.00 2.05 C ATOM 719 O ALA A 408 -3.944 -12.810 -3.297 1.00 1.99 O ATOM 720 CB ALA A 408 -3.211 -15.958 -4.188 1.00 2.76 C ATOM 0 H ALA A 408 -6.257 -15.083 -4.518 1.00 2.15 H new ATOM 0 HA ALA A 408 -4.304 -15.177 -2.534 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.269 -15.505 -3.879 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.262 -16.981 -3.814 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -3.270 -15.966 -5.276 1.00 2.76 H new ATOM 726 N PRO A 409 -4.627 -13.415 -5.363 1.00 1.99 N ATOM 727 CA PRO A 409 -4.597 -12.055 -5.912 1.00 1.80 C ATOM 728 C PRO A 409 -5.536 -11.108 -5.186 1.00 1.41 C ATOM 729 O PRO A 409 -6.639 -11.486 -4.801 1.00 1.86 O ATOM 730 CB PRO A 409 -5.042 -12.233 -7.369 1.00 2.10 C ATOM 731 CG PRO A 409 -4.814 -13.672 -7.668 1.00 2.49 C ATOM 732 CD PRO A 409 -5.060 -14.394 -6.378 1.00 2.27 C ATOM 0 HA PRO A 409 -3.608 -11.608 -5.808 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.091 -11.965 -7.497 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.466 -11.595 -8.039 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.489 -14.022 -8.449 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.798 -13.842 -8.025 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -6.110 -14.661 -6.259 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.487 -15.319 -6.317 1.00 2.27 H new ATOM 740 N ASP A 410 -5.082 -9.872 -5.008 1.00 0.92 N ATOM 741 CA ASP A 410 -5.871 -8.850 -4.334 1.00 0.79 C ATOM 742 C ASP A 410 -5.182 -7.491 -4.418 1.00 0.68 C ATOM 743 O ASP A 410 -4.010 -7.350 -4.075 1.00 0.93 O ATOM 744 CB ASP A 410 -6.118 -9.242 -2.872 1.00 1.18 C ATOM 745 CG ASP A 410 -4.842 -9.591 -2.128 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.972 -8.704 -1.993 1.00 2.14 O ATOM 747 OD2 ASP A 410 -4.707 -10.750 -1.682 1.00 1.99 O ATOM 0 H ASP A 410 -4.166 -9.554 -5.324 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.834 -8.773 -4.838 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.617 -8.419 -2.360 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.796 -10.095 -2.840 1.00 1.18 H new ATOM 752 N GLU A 411 -5.927 -6.493 -4.881 1.00 0.54 N ATOM 753 CA GLU A 411 -5.407 -5.138 -5.013 1.00 0.45 C ATOM 754 C GLU A 411 -6.238 -4.186 -4.167 1.00 0.40 C ATOM 755 O GLU A 411 -7.466 -4.255 -4.173 1.00 0.42 O ATOM 756 CB GLU A 411 -5.426 -4.686 -6.474 1.00 0.49 C ATOM 757 CG GLU A 411 -4.523 -5.503 -7.387 1.00 0.58 C ATOM 758 CD GLU A 411 -4.973 -6.945 -7.526 1.00 1.47 C ATOM 759 OE1 GLU A 411 -6.114 -7.170 -7.980 1.00 2.10 O ATOM 760 OE2 GLU A 411 -4.182 -7.848 -7.183 1.00 2.08 O ATOM 0 H GLU A 411 -6.899 -6.599 -5.173 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.374 -5.129 -4.665 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.449 -4.741 -6.847 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -5.125 -3.640 -6.524 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -4.497 -5.039 -8.373 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.505 -5.481 -6.997 1.00 0.58 H new ATOM 767 N TYR A 412 -5.571 -3.312 -3.426 1.00 0.38 N ATOM 768 CA TYR A 412 -6.269 -2.369 -2.562 1.00 0.35 C ATOM 769 C TYR A 412 -6.158 -0.938 -3.084 1.00 0.33 C ATOM 770 O TYR A 412 -5.059 -0.415 -3.259 1.00 0.34 O ATOM 771 CB TYR A 412 -5.705 -2.443 -1.139 1.00 0.39 C ATOM 772 CG TYR A 412 -5.728 -3.832 -0.529 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.030 -4.878 -1.118 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.455 -4.100 0.628 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.052 -6.148 -0.574 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.481 -5.367 1.179 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.760 -6.374 0.608 1.00 0.62 C ATOM 778 OH TYR A 412 -5.803 -7.651 1.119 1.00 0.72 O ATOM 0 H TYR A 412 -4.554 -3.236 -3.405 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.323 -2.646 -2.555 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.677 -2.080 -1.149 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.275 -1.769 -0.500 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.460 -4.696 -2.017 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -7.008 -3.303 1.103 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.527 -6.958 -1.058 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.072 -5.560 2.062 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.290 -7.647 1.969 1.00 0.72 H new ATOM 788 N TYR A 413 -7.307 -0.304 -3.307 1.00 0.33 N ATOM 789 CA TYR A 413 -7.340 1.077 -3.779 1.00 0.32 C ATOM 790 C TYR A 413 -6.726 1.984 -2.724 1.00 0.32 C ATOM 791 O TYR A 413 -7.209 2.035 -1.594 1.00 0.40 O ATOM 792 CB TYR A 413 -8.783 1.501 -4.051 1.00 0.36 C ATOM 793 CG TYR A 413 -8.921 2.903 -4.604 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.109 3.347 -5.641 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.867 3.780 -4.089 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.236 4.627 -6.148 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.001 5.061 -4.592 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.183 5.479 -5.621 1.00 0.46 C ATOM 799 OH TYR A 413 -9.313 6.753 -6.124 1.00 0.51 O ATOM 0 H TYR A 413 -8.226 -0.724 -3.168 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.769 1.157 -4.704 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.230 0.799 -4.755 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.352 1.430 -3.124 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.367 2.682 -6.057 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.508 3.456 -3.283 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.596 4.958 -6.953 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.742 5.731 -4.181 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.026 7.223 -5.644 1.00 0.51 H new ATOM 809 N VAL A 414 -5.649 2.679 -3.075 1.00 0.33 N ATOM 810 CA VAL A 414 -4.975 3.542 -2.112 1.00 0.33 C ATOM 811 C VAL A 414 -5.093 5.025 -2.440 1.00 0.29 C ATOM 812 O VAL A 414 -4.882 5.449 -3.576 1.00 0.38 O ATOM 813 CB VAL A 414 -3.483 3.188 -2.009 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.823 3.961 -0.880 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.304 1.696 -1.814 1.00 1.15 C ATOM 0 H VAL A 414 -5.229 2.663 -4.004 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.481 3.364 -1.163 1.00 0.33 H new ATOM 0 HB VAL A 414 -2.998 3.473 -2.943 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.767 3.695 -0.825 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -2.918 5.031 -1.067 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.309 3.713 0.064 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.242 1.463 -1.743 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.805 1.386 -0.897 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.736 1.164 -2.661 1.00 1.15 H new ATOM 825 N HIS A 415 -5.378 5.808 -1.405 1.00 0.33 N ATOM 826 CA HIS A 415 -5.470 7.256 -1.523 1.00 0.32 C ATOM 827 C HIS A 415 -4.300 7.878 -0.774 1.00 0.32 C ATOM 828 O HIS A 415 -4.402 8.157 0.419 1.00 0.34 O ATOM 829 CB HIS A 415 -6.784 7.777 -0.934 1.00 0.37 C ATOM 830 CG HIS A 415 -6.845 9.268 -0.851 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.928 10.089 -1.956 1.00 0.50 N ATOM 832 CD2 HIS A 415 -6.811 10.086 0.222 1.00 0.54 C ATOM 833 CE1 HIS A 415 -6.945 11.351 -1.563 1.00 0.60 C ATOM 834 NE2 HIS A 415 -6.875 11.376 -0.244 1.00 0.62 N ATOM 0 H HIS A 415 -5.551 5.456 -0.463 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.441 7.527 -2.578 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.614 7.420 -1.543 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -6.918 7.359 0.064 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.970 9.772 -2.925 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -6.746 9.782 1.256 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.006 12.214 -2.210 1.00 0.60 H new ATOM 843 N TYR A 416 -3.184 8.072 -1.462 1.00 0.37 N ATOM 844 CA TYR A 416 -2.003 8.635 -0.826 1.00 0.40 C ATOM 845 C TYR A 416 -2.341 9.932 -0.104 1.00 0.45 C ATOM 846 O TYR A 416 -2.513 10.982 -0.723 1.00 0.57 O ATOM 847 CB TYR A 416 -0.891 8.855 -1.850 1.00 0.46 C ATOM 848 CG TYR A 416 -0.393 7.565 -2.463 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.117 6.925 -3.459 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.810 6.999 -2.059 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.661 5.753 -4.033 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.274 5.829 -2.628 1.00 0.54 C ATOM 853 CZ TYR A 416 0.513 5.178 -3.564 1.00 0.57 C ATOM 854 OH TYR A 416 0.993 4.043 -4.182 1.00 0.65 O ATOM 0 H TYR A 416 -3.072 7.850 -2.451 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.645 7.922 -0.084 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.256 9.510 -2.641 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.058 9.369 -1.370 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.053 7.350 -3.791 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.392 7.482 -1.288 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.212 5.289 -4.838 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.234 5.428 -2.336 1.00 0.54 H new ATOM 0 HH TYR A 416 1.822 3.758 -3.744 1.00 0.65 H new ATOM 864 N VAL A 417 -2.442 9.833 1.217 1.00 0.45 N ATOM 865 CA VAL A 417 -2.769 10.973 2.058 1.00 0.55 C ATOM 866 C VAL A 417 -1.698 12.052 1.953 1.00 0.66 C ATOM 867 O VAL A 417 -0.503 11.755 1.947 1.00 1.34 O ATOM 868 CB VAL A 417 -2.945 10.534 3.522 1.00 0.68 C ATOM 869 CG1 VAL A 417 -1.676 9.945 4.065 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.438 11.685 4.385 1.00 1.01 C ATOM 0 H VAL A 417 -2.300 8.963 1.731 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.712 11.392 1.705 1.00 0.55 H new ATOM 0 HB VAL A 417 -3.707 9.755 3.549 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -1.829 9.643 5.101 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -1.396 9.075 3.471 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -0.880 10.688 4.017 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.553 11.345 5.414 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -2.716 12.501 4.351 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -4.399 12.036 4.009 1.00 1.01 H new ATOM 880 N GLY A 418 -2.135 13.303 1.846 1.00 0.71 N ATOM 881 CA GLY A 418 -1.204 14.408 1.711 1.00 0.82 C ATOM 882 C GLY A 418 -0.714 14.542 0.282 1.00 0.72 C ATOM 883 O GLY A 418 -0.724 15.633 -0.288 1.00 0.76 O ATOM 0 H GLY A 418 -3.119 13.571 1.850 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -1.688 15.334 2.020 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.354 14.254 2.376 1.00 0.82 H new ATOM 887 N LEU A 419 -0.301 13.419 -0.298 1.00 0.66 N ATOM 888 CA LEU A 419 0.180 13.382 -1.668 1.00 0.60 C ATOM 889 C LEU A 419 -0.945 13.718 -2.642 1.00 0.59 C ATOM 890 O LEU A 419 -2.124 13.608 -2.304 1.00 0.76 O ATOM 891 CB LEU A 419 0.737 11.992 -1.979 1.00 0.58 C ATOM 892 CG LEU A 419 2.065 11.633 -1.300 1.00 0.78 C ATOM 893 CD1 LEU A 419 3.211 12.412 -1.924 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.013 11.883 0.200 1.00 1.40 C ATOM 0 H LEU A 419 -0.292 12.513 0.170 1.00 0.66 H new ATOM 0 HA LEU A 419 0.969 14.125 -1.782 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.008 11.251 -1.690 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.869 11.908 -3.058 1.00 0.58 H new ATOM 0 HG LEU A 419 2.235 10.568 -1.455 1.00 0.78 H new ATOM 0 HD11 LEU A 419 4.145 12.144 -1.430 1.00 1.60 H new ATOM 0 HD12 LEU A 419 3.280 12.171 -2.985 1.00 1.60 H new ATOM 0 HD13 LEU A 419 3.031 13.481 -1.806 1.00 1.60 H new ATOM 0 HD21 LEU A 419 2.971 11.617 0.647 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.806 12.937 0.386 1.00 1.40 H new ATOM 0 HD23 LEU A 419 1.225 11.274 0.643 1.00 1.40 H new ATOM 906 N ASN A 420 -0.570 14.123 -3.850 1.00 0.61 N ATOM 907 CA ASN A 420 -1.541 14.472 -4.884 1.00 0.63 C ATOM 908 C ASN A 420 -2.571 13.356 -5.071 1.00 0.56 C ATOM 909 O ASN A 420 -2.238 12.173 -5.000 1.00 0.56 O ATOM 910 CB ASN A 420 -0.818 14.758 -6.201 1.00 0.75 C ATOM 911 CG ASN A 420 0.079 13.616 -6.624 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.381 12.494 -6.814 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.367 13.899 -6.777 1.00 1.98 N ATOM 0 H ASN A 420 0.403 14.218 -4.140 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.074 15.369 -4.568 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -1.554 14.948 -6.983 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.223 15.665 -6.096 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.019 13.169 -7.064 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.705 14.847 -6.608 1.00 1.98 H new ATOM 920 N ARG A 421 -3.825 13.744 -5.297 1.00 0.62 N ATOM 921 CA ARG A 421 -4.910 12.781 -5.482 1.00 0.67 C ATOM 922 C ARG A 421 -4.666 11.871 -6.685 1.00 0.66 C ATOM 923 O ARG A 421 -5.062 10.708 -6.677 1.00 0.69 O ATOM 924 CB ARG A 421 -6.249 13.507 -5.628 1.00 0.87 C ATOM 925 CG ARG A 421 -6.257 14.573 -6.709 1.00 1.09 C ATOM 926 CD ARG A 421 -7.589 15.305 -6.756 1.00 1.51 C ATOM 927 NE ARG A 421 -7.581 16.411 -7.712 1.00 2.25 N ATOM 928 CZ ARG A 421 -7.435 16.257 -9.026 1.00 3.00 C ATOM 929 NH1 ARG A 421 -7.307 15.045 -9.550 1.00 3.28 N ATOM 930 NH2 ARG A 421 -7.424 17.320 -9.820 1.00 3.98 N ATOM 0 H ARG A 421 -4.115 14.720 -5.357 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.941 12.150 -4.594 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -7.026 12.775 -5.848 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.507 13.968 -4.675 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -5.454 15.287 -6.524 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.058 14.113 -7.677 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.378 14.602 -7.024 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.826 15.688 -5.763 1.00 1.51 H new ATOM 0 HE ARG A 421 -7.694 17.358 -7.350 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -7.320 14.224 -8.945 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -7.195 14.934 -10.558 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -7.527 18.254 -9.423 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -7.312 17.203 -10.827 1.00 3.98 H new ATOM 944 N ARG A 422 -4.020 12.402 -7.719 1.00 0.71 N ATOM 945 CA ARG A 422 -3.735 11.622 -8.923 1.00 0.83 C ATOM 946 C ARG A 422 -2.948 10.356 -8.585 1.00 0.72 C ATOM 947 O ARG A 422 -3.062 9.342 -9.273 1.00 0.77 O ATOM 948 CB ARG A 422 -2.964 12.465 -9.943 1.00 1.01 C ATOM 949 CG ARG A 422 -1.673 13.053 -9.398 1.00 1.19 C ATOM 950 CD ARG A 422 -0.899 13.803 -10.470 1.00 1.49 C ATOM 951 NE ARG A 422 -0.449 12.920 -11.542 1.00 2.09 N ATOM 952 CZ ARG A 422 0.284 13.327 -12.575 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.645 14.600 -12.678 1.00 3.07 N ATOM 954 NH2 ARG A 422 0.660 12.461 -13.507 1.00 3.71 N ATOM 0 H ARG A 422 -3.685 13.365 -7.749 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.688 11.326 -9.361 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.734 11.848 -10.811 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.605 13.276 -10.289 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.901 13.729 -8.574 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.052 12.254 -8.993 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.528 14.589 -10.888 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.036 14.293 -10.018 1.00 1.49 H new ATOM 0 HE ARG A 422 -0.711 11.935 -11.496 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.360 15.270 -11.964 1.00 3.07 H new ATOM 0 HH12 ARG A 422 1.207 14.908 -13.471 1.00 3.07 H new ATOM 0 HH21 ARG A 422 0.387 11.481 -13.432 1.00 3.71 H new ATOM 0 HH22 ARG A 422 1.222 12.775 -14.298 1.00 3.71 H new ATOM 968 N LEU A 423 -2.151 10.426 -7.523 1.00 0.65 N ATOM 969 CA LEU A 423 -1.342 9.298 -7.082 1.00 0.62 C ATOM 970 C LEU A 423 -2.202 8.074 -6.773 1.00 0.52 C ATOM 971 O LEU A 423 -1.729 6.941 -6.859 1.00 0.53 O ATOM 972 CB LEU A 423 -0.534 9.697 -5.849 1.00 0.69 C ATOM 973 CG LEU A 423 0.987 9.561 -5.983 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.495 10.304 -7.211 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.671 10.086 -4.731 1.00 1.49 C ATOM 0 H LEU A 423 -2.049 11.262 -6.948 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.666 9.029 -7.893 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.768 10.733 -5.602 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.863 9.087 -5.008 1.00 0.69 H new ATOM 0 HG LEU A 423 1.226 8.504 -6.103 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.577 10.192 -7.283 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.027 9.892 -8.105 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.245 11.362 -7.126 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.751 9.985 -4.837 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.417 11.137 -4.591 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.336 9.514 -3.866 1.00 1.49 H new ATOM 987 N ASP A 424 -3.462 8.310 -6.406 1.00 0.49 N ATOM 988 CA ASP A 424 -4.384 7.223 -6.079 1.00 0.50 C ATOM 989 C ASP A 424 -4.291 6.096 -7.101 1.00 0.45 C ATOM 990 O ASP A 424 -4.253 6.337 -8.307 1.00 0.49 O ATOM 991 CB ASP A 424 -5.824 7.739 -6.013 1.00 0.66 C ATOM 992 CG ASP A 424 -6.032 8.760 -4.912 1.00 0.81 C ATOM 993 OD1 ASP A 424 -5.060 9.051 -4.183 1.00 0.97 O ATOM 994 OD2 ASP A 424 -7.165 9.269 -4.778 1.00 1.20 O ATOM 0 H ASP A 424 -3.867 9.243 -6.328 1.00 0.49 H new ATOM 0 HA ASP A 424 -4.098 6.832 -5.103 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.089 8.186 -6.971 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.500 6.898 -5.855 1.00 0.66 H new ATOM 999 N GLY A 425 -4.249 4.864 -6.605 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.153 3.710 -7.478 1.00 0.50 C ATOM 1001 C GLY A 425 -4.148 2.408 -6.706 1.00 0.45 C ATOM 1002 O GLY A 425 -3.618 2.337 -5.597 1.00 0.70 O ATOM 0 H GLY A 425 -4.280 4.644 -5.609 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -4.991 3.714 -8.176 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.242 3.781 -8.073 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.741 1.372 -7.290 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.795 0.069 -6.643 1.00 0.44 C ATOM 1008 C TRP A 426 -3.394 -0.528 -6.555 1.00 0.45 C ATOM 1009 O TRP A 426 -2.725 -0.712 -7.572 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.734 -0.874 -7.404 1.00 0.47 C ATOM 1011 CG TRP A 426 -7.127 -0.346 -7.552 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.517 0.804 -8.173 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -8.315 -0.954 -7.056 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.882 0.946 -8.090 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.394 -0.126 -7.406 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.561 -2.124 -6.349 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.709 -0.435 -7.068 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.865 -2.435 -6.011 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.925 -1.592 -6.370 1.00 0.59 C ATOM 0 H TRP A 426 -5.189 1.410 -8.206 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.187 0.196 -5.634 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -5.320 -1.064 -8.394 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.771 -1.832 -6.885 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.851 1.501 -8.659 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.424 1.720 -8.474 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.749 -2.778 -6.069 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.527 0.213 -7.346 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -10.070 -3.342 -5.462 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.933 -1.861 -6.090 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.950 -0.816 -5.336 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.620 -1.375 -5.123 1.00 0.46 C ATOM 1032 C VAL A 427 -1.689 -2.747 -4.471 1.00 0.51 C ATOM 1033 O VAL A 427 -2.595 -3.031 -3.688 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.753 -0.462 -4.233 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.770 0.967 -4.743 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.212 -0.525 -2.786 1.00 0.85 C ATOM 0 H VAL A 427 -3.490 -0.672 -4.483 1.00 0.39 H new ATOM 0 HA VAL A 427 -1.166 -1.459 -6.111 1.00 0.46 H new ATOM 0 HB VAL A 427 0.274 -0.824 -4.279 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.151 1.591 -4.098 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.378 0.995 -5.760 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.793 1.343 -4.738 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.586 0.127 -2.177 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.250 -0.198 -2.719 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.130 -1.549 -2.423 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.709 -3.585 -4.781 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.659 -4.907 -4.199 1.00 0.65 C ATOM 1048 C GLY A 428 -0.486 -4.850 -2.694 1.00 0.79 C ATOM 1049 O GLY A 428 0.159 -3.939 -2.174 1.00 1.72 O ATOM 0 H GLY A 428 0.052 -3.371 -5.426 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.575 -5.446 -4.440 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.166 -5.468 -4.639 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.070 -5.815 -1.996 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.991 -5.876 -0.539 1.00 0.54 C ATOM 1055 C ARG A 429 0.455 -5.773 -0.046 1.00 0.49 C ATOM 1056 O ARG A 429 0.707 -5.280 1.054 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.636 -7.173 -0.040 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.381 -7.478 1.429 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.066 -6.466 2.338 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.934 -6.817 3.753 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.784 -6.804 4.425 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.330 -6.380 3.844 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.754 -7.193 5.692 1.00 1.65 N ATOM 0 H ARG A 429 -1.608 -6.572 -2.417 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.534 -5.022 -0.134 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.712 -7.116 -0.205 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.265 -8.003 -0.641 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.742 -8.480 1.661 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.308 -7.473 1.621 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.637 -5.479 2.169 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.123 -6.403 2.078 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.778 -7.089 4.257 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.310 -6.061 2.875 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.207 -6.373 4.366 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.611 -7.502 6.151 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.126 -7.184 6.208 1.00 1.65 H new ATOM 1077 N HIS A 430 1.399 -6.245 -0.856 1.00 0.49 N ATOM 1078 CA HIS A 430 2.813 -6.210 -0.483 1.00 0.53 C ATOM 1079 C HIS A 430 3.306 -4.785 -0.248 1.00 0.47 C ATOM 1080 O HIS A 430 4.191 -4.553 0.575 1.00 0.49 O ATOM 1081 CB HIS A 430 3.666 -6.864 -1.568 1.00 0.65 C ATOM 1082 CG HIS A 430 3.590 -6.176 -2.897 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.419 -6.043 -3.613 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.553 -5.582 -3.641 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.666 -5.398 -4.740 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.952 -5.108 -4.780 1.00 1.46 N ATOM 0 H HIS A 430 1.213 -6.655 -1.771 1.00 0.49 H new ATOM 0 HA HIS A 430 2.911 -6.764 0.451 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.705 -6.882 -1.238 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.352 -7.901 -1.688 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.599 -5.497 -3.386 1.00 1.47 H new ATOM 0 HE1 HIS A 430 1.939 -5.151 -5.499 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.424 -4.611 -5.536 1.00 1.46 H new ATOM 1095 N ARG A 431 2.735 -3.836 -0.979 1.00 0.43 N ATOM 1096 CA ARG A 431 3.124 -2.437 -0.853 1.00 0.41 C ATOM 1097 C ARG A 431 2.481 -1.801 0.376 1.00 0.37 C ATOM 1098 O ARG A 431 3.049 -0.896 0.987 1.00 0.57 O ATOM 1099 CB ARG A 431 2.739 -1.669 -2.121 1.00 0.44 C ATOM 1100 CG ARG A 431 3.441 -2.180 -3.370 1.00 0.53 C ATOM 1101 CD ARG A 431 2.996 -1.427 -4.614 1.00 0.64 C ATOM 1102 NE ARG A 431 3.688 -1.897 -5.813 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.499 -1.385 -7.028 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.652 -0.379 -7.209 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.160 -1.881 -8.066 1.00 2.84 N ATOM 0 H ARG A 431 2.001 -4.010 -1.665 1.00 0.43 H new ATOM 0 HA ARG A 431 4.206 -2.389 -0.728 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.661 -1.737 -2.265 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.977 -0.614 -1.985 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.519 -2.077 -3.249 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.234 -3.243 -3.495 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.921 -1.547 -4.745 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.184 -0.362 -4.480 1.00 0.64 H new ATOM 0 HE ARG A 431 4.355 -2.662 -5.713 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.141 0.007 -6.415 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.512 0.008 -8.142 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.812 -2.654 -7.933 1.00 2.84 H new ATOM 0 HH22 ARG A 431 4.016 -1.489 -8.997 1.00 2.84 H new ATOM 1119 N ILE A 432 1.291 -2.282 0.729 1.00 0.39 N ATOM 1120 CA ILE A 432 0.563 -1.764 1.884 1.00 0.36 C ATOM 1121 C ILE A 432 0.935 -2.509 3.163 1.00 0.38 C ATOM 1122 O ILE A 432 0.915 -3.738 3.206 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.957 -1.862 1.666 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.364 -0.992 0.478 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.710 -1.446 2.923 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.812 -1.137 0.077 1.00 0.46 C ATOM 0 H ILE A 432 0.810 -3.031 0.231 1.00 0.39 H new ATOM 0 HA ILE A 432 0.847 -0.717 1.993 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.217 -2.898 1.450 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.168 0.052 0.722 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.735 -1.243 -0.376 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.783 -1.523 2.747 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.430 -2.101 3.748 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.457 -0.416 3.175 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.021 -0.487 -0.773 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.011 -2.172 -0.200 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.451 -0.856 0.914 1.00 0.46 H new ATOM 1138 N SER A 433 1.265 -1.746 4.203 1.00 0.34 N ATOM 1139 CA SER A 433 1.639 -2.310 5.497 1.00 0.38 C ATOM 1140 C SER A 433 1.701 -1.218 6.557 1.00 0.36 C ATOM 1141 O SER A 433 2.172 -0.111 6.294 1.00 0.34 O ATOM 1142 CB SER A 433 2.998 -3.005 5.409 1.00 0.41 C ATOM 1143 OG SER A 433 2.943 -4.156 4.584 1.00 0.53 O ATOM 0 H SER A 433 1.281 -0.727 4.173 1.00 0.34 H new ATOM 0 HA SER A 433 0.880 -3.041 5.776 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.738 -2.309 5.015 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.328 -3.288 6.409 1.00 0.41 H new ATOM 0 HG SER A 433 2.014 -4.326 4.322 1.00 0.53 H new ATOM 1149 N ASP A 434 1.223 -1.531 7.757 1.00 0.43 N ATOM 1150 CA ASP A 434 1.228 -0.571 8.854 1.00 0.48 C ATOM 1151 C ASP A 434 2.628 -0.412 9.445 1.00 0.48 C ATOM 1152 O ASP A 434 2.788 0.113 10.549 1.00 0.74 O ATOM 1153 CB ASP A 434 0.248 -1.004 9.945 1.00 0.60 C ATOM 1154 CG ASP A 434 0.625 -2.336 10.565 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.685 -3.340 9.824 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.861 -2.375 11.791 1.00 1.35 O ATOM 0 H ASP A 434 0.828 -2.441 7.994 1.00 0.43 H new ATOM 0 HA ASP A 434 0.915 0.393 8.454 1.00 0.48 H new ATOM 0 HB2 ASP A 434 0.214 -0.241 10.723 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.754 -1.074 9.523 1.00 0.60 H new ATOM 1161 N ASN A 435 3.642 -0.866 8.710 1.00 0.43 N ATOM 1162 CA ASN A 435 5.024 -0.770 9.168 1.00 0.47 C ATOM 1163 C ASN A 435 5.948 -0.382 8.015 1.00 0.39 C ATOM 1164 O ASN A 435 5.879 -0.957 6.929 1.00 0.38 O ATOM 1165 CB ASN A 435 5.470 -2.099 9.782 1.00 0.59 C ATOM 1166 CG ASN A 435 6.872 -2.032 10.357 1.00 1.26 C ATOM 1167 OD1 ASN A 435 7.160 -1.211 11.228 1.00 2.16 O ATOM 1168 ND2 ASN A 435 7.751 -2.900 9.873 1.00 1.81 N ATOM 0 H ASN A 435 3.531 -1.304 7.795 1.00 0.43 H new ATOM 0 HA ASN A 435 5.082 0.007 9.930 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.772 -2.385 10.569 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.430 -2.879 9.021 1.00 0.59 H new ATOM 0 HD21 ASN A 435 8.709 -2.904 10.223 1.00 1.81 H new ATOM 0 HD22 ASN A 435 7.469 -3.563 9.151 1.00 1.81 H new ATOM 1175 N ALA A 436 6.797 0.614 8.258 1.00 0.49 N ATOM 1176 CA ALA A 436 7.726 1.110 7.245 1.00 0.55 C ATOM 1177 C ALA A 436 8.863 0.129 6.959 1.00 0.55 C ATOM 1178 O ALA A 436 9.308 0.007 5.818 1.00 0.54 O ATOM 1179 CB ALA A 436 8.288 2.455 7.674 1.00 0.75 C ATOM 0 H ALA A 436 6.861 1.096 9.154 1.00 0.49 H new ATOM 0 HA ALA A 436 7.164 1.223 6.318 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.980 2.819 6.915 1.00 0.75 H new ATOM 0 HB2 ALA A 436 7.473 3.168 7.794 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.815 2.344 8.621 1.00 0.75 H new ATOM 1185 N ASP A 437 9.346 -0.549 7.998 1.00 0.65 N ATOM 1186 CA ASP A 437 10.449 -1.498 7.845 1.00 0.75 C ATOM 1187 C ASP A 437 10.165 -2.517 6.744 1.00 0.71 C ATOM 1188 O ASP A 437 11.053 -2.865 5.964 1.00 0.78 O ATOM 1189 CB ASP A 437 10.714 -2.222 9.166 1.00 0.92 C ATOM 1190 CG ASP A 437 11.075 -1.267 10.288 1.00 1.02 C ATOM 1191 OD1 ASP A 437 12.088 -0.549 10.153 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.343 -1.236 11.299 1.00 1.34 O ATOM 0 H ASP A 437 8.994 -0.460 8.951 1.00 0.65 H new ATOM 0 HA ASP A 437 11.334 -0.930 7.560 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.829 -2.792 9.449 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.524 -2.939 9.028 1.00 0.92 H new ATOM 1197 N ASP A 438 8.926 -2.990 6.683 1.00 0.68 N ATOM 1198 CA ASP A 438 8.525 -3.969 5.675 1.00 0.73 C ATOM 1199 C ASP A 438 8.623 -3.390 4.271 1.00 0.73 C ATOM 1200 O ASP A 438 8.754 -4.128 3.294 1.00 1.35 O ATOM 1201 CB ASP A 438 7.100 -4.457 5.939 1.00 0.88 C ATOM 1202 CG ASP A 438 6.965 -5.149 7.282 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.680 -6.148 7.508 1.00 1.36 O ATOM 1204 OD2 ASP A 438 6.149 -4.690 8.107 1.00 1.56 O ATOM 0 H ASP A 438 8.179 -2.712 7.320 1.00 0.68 H new ATOM 0 HA ASP A 438 9.210 -4.814 5.744 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.416 -3.610 5.900 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.802 -5.145 5.148 1.00 0.88 H new ATOM 1209 N LEU A 439 8.539 -2.073 4.176 1.00 0.54 N ATOM 1210 CA LEU A 439 8.598 -1.401 2.887 1.00 0.53 C ATOM 1211 C LEU A 439 10.011 -0.932 2.545 1.00 0.61 C ATOM 1212 O LEU A 439 10.749 -1.632 1.850 1.00 0.86 O ATOM 1213 CB LEU A 439 7.616 -0.232 2.866 1.00 0.52 C ATOM 1214 CG LEU A 439 6.145 -0.632 2.743 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.691 -1.430 3.950 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.270 0.596 2.565 1.00 1.10 C ATOM 0 H LEU A 439 8.430 -1.448 4.975 1.00 0.54 H new ATOM 0 HA LEU A 439 8.313 -2.122 2.121 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.745 0.349 3.779 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.871 0.423 2.033 1.00 0.52 H new ATOM 0 HG LEU A 439 6.045 -1.264 1.861 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.641 -1.700 3.834 1.00 1.12 H new ATOM 0 HD12 LEU A 439 6.292 -2.336 4.034 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.813 -0.829 4.851 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.227 0.290 2.479 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.386 1.253 3.427 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.568 1.127 1.661 1.00 1.10 H new ATOM 1228 N GLY A 440 10.387 0.255 3.021 1.00 0.59 N ATOM 1229 CA GLY A 440 11.714 0.772 2.726 1.00 0.77 C ATOM 1230 C GLY A 440 11.991 2.130 3.347 1.00 0.96 C ATOM 1231 O GLY A 440 12.425 3.054 2.656 1.00 1.36 O ATOM 0 H GLY A 440 9.804 0.861 3.599 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.459 0.061 3.082 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.834 0.845 1.645 1.00 0.77 H new ATOM 1235 N GLY A 441 11.761 2.250 4.652 1.00 0.93 N ATOM 1236 CA GLY A 441 12.015 3.507 5.339 1.00 1.24 C ATOM 1237 C GLY A 441 11.066 4.617 4.932 1.00 1.14 C ATOM 1238 O GLY A 441 10.676 4.719 3.769 1.00 1.83 O ATOM 0 H GLY A 441 11.404 1.501 5.246 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.936 3.347 6.414 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.039 3.822 5.138 1.00 1.24 H new ATOM 1242 N ILE A 442 10.703 5.458 5.896 1.00 1.10 N ATOM 1243 CA ILE A 442 9.806 6.577 5.639 1.00 1.03 C ATOM 1244 C ILE A 442 10.464 7.584 4.703 1.00 1.05 C ATOM 1245 O ILE A 442 11.216 8.450 5.152 1.00 1.39 O ATOM 1246 CB ILE A 442 9.407 7.294 6.946 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.730 6.315 7.911 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.494 8.477 6.652 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.426 5.747 7.392 1.00 1.48 C ATOM 0 H ILE A 442 11.018 5.384 6.863 1.00 1.10 H new ATOM 0 HA ILE A 442 8.908 6.170 5.173 1.00 1.03 H new ATOM 0 HB ILE A 442 10.313 7.672 7.421 1.00 1.26 H new ATOM 0 HG12 ILE A 442 9.415 5.494 8.120 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.543 6.823 8.857 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.224 8.969 7.586 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.013 9.185 6.006 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.591 8.125 6.153 1.00 1.38 H new ATOM 0 HD11 ILE A 442 7.008 5.063 8.130 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.722 6.559 7.210 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.608 5.209 6.462 1.00 1.48 H new