USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 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 414 SER OG : rot 180:sc= 0.08 USER MOD Set 1.2: A 469 TYR OH : rot -65:sc= 0.0818 USER MOD Set 2.1: A 464 CYS SG : rot -61:sc= 0.152 USER MOD Set 2.2: A 468 SER OG : rot -154:sc= 0.456 USER MOD Set 3.1: A 446 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 450 THR OG1 : rot 73:sc= 2.3 USER MOD Set 3.3: A 461 THR OG1 : rot -117:sc= 1.32 USER MOD Single : A 375 THR OG1 : rot -113:sc= -2.61! USER MOD Single : A 379 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 381 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 382 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.2!) USER MOD Single : A 383 MET CE :methyl 132:sc= -0.451 (180deg=-0.609) USER MOD Single : A 395 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 406 CYS SG : rot 130:sc= -0.0337 USER MOD Single : A 407 SER OG : rot -53:sc= 0.102 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.245) USER MOD Single : A 429 CYS SG : rot 160:sc= -1.47 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 CYS SG : rot 74:sc= -1.7! USER MOD Single : A 443 GLN : amide:sc= -0.0952 X(o=-0.095,f=0) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 447 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 LYS NZ :NH3+ -171:sc= 0.431 (180deg=0.382) USER MOD Single : A 456 ASN : amide:sc= -0.0095 X(o=-0.0095,f=-0.0095) USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot -120:sc= 0 USER MOD Single : A 470 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 23 ASN : amide:sc=-0.000469 X(o=-0.00047,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 374 0.767 13.291 -8.874 1.00 0.00 N ATOM 27 CA PRO A 374 0.815 13.564 -7.434 1.00 0.00 C ATOM 28 C PRO A 374 -0.500 14.126 -6.906 1.00 0.00 C ATOM 29 O PRO A 374 -0.917 15.220 -7.287 1.00 0.00 O ATOM 30 CB PRO A 374 1.927 14.605 -7.305 1.00 0.00 C ATOM 31 CG PRO A 374 1.956 15.300 -8.623 1.00 0.00 C ATOM 32 CD PRO A 374 1.534 14.285 -9.651 1.00 0.00 C ATOM 0 HA PRO A 374 0.991 12.657 -6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 374 1.722 15.304 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 374 2.885 14.134 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 374 1.282 16.157 -8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 374 2.955 15.679 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 374 0.924 14.738 -10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 374 2.395 13.831 -10.141 1.00 0.00 H new ATOM 40 N THR A 375 -1.150 13.370 -6.027 1.00 0.00 N ATOM 41 CA THR A 375 -2.418 13.796 -5.445 1.00 0.00 C ATOM 42 C THR A 375 -2.240 14.195 -3.984 1.00 0.00 C ATOM 43 O THR A 375 -2.341 15.373 -3.642 1.00 0.00 O ATOM 44 CB THR A 375 -3.495 12.699 -5.549 1.00 0.00 C ATOM 45 OG1 THR A 375 -4.194 12.581 -4.307 1.00 0.00 O ATOM 46 CG2 THR A 375 -2.877 11.359 -5.917 1.00 0.00 C ATOM 0 H THR A 375 -0.820 12.461 -5.702 1.00 0.00 H new ATOM 0 HA THR A 375 -2.752 14.661 -6.018 1.00 0.00 H new ATOM 0 HB THR A 375 -4.194 12.984 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 375 -3.994 11.712 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 375 -3.660 10.603 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 375 -2.371 11.443 -6.879 1.00 0.00 H new ATOM 0 HG23 THR A 375 -2.156 11.069 -5.153 1.00 0.00 H new ATOM 54 N GLU A 376 -1.966 13.209 -3.125 1.00 0.00 N ATOM 55 CA GLU A 376 -1.765 13.473 -1.702 1.00 0.00 C ATOM 56 C GLU A 376 -1.424 12.199 -0.932 1.00 0.00 C ATOM 57 O GLU A 376 -0.494 12.193 -0.129 1.00 0.00 O ATOM 58 CB GLU A 376 -3.004 14.127 -1.092 1.00 0.00 C ATOM 59 CG GLU A 376 -2.771 14.686 0.303 1.00 0.00 C ATOM 60 CD GLU A 376 -3.873 14.309 1.275 1.00 0.00 C ATOM 61 OE1 GLU A 376 -4.913 15.000 1.289 1.00 0.00 O ATOM 62 OE2 GLU A 376 -3.694 13.322 2.019 1.00 0.00 O ATOM 0 H GLU A 376 -1.879 12.228 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 376 -0.920 14.157 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.339 14.932 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.809 13.393 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.817 14.320 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.697 15.772 0.247 1.00 0.00 H new ATOM 69 N VAL A 377 -2.169 11.120 -1.174 1.00 0.00 N ATOM 70 CA VAL A 377 -1.913 9.865 -0.470 1.00 0.00 C ATOM 71 C VAL A 377 -1.293 8.828 -1.400 1.00 0.00 C ATOM 72 O VAL A 377 -1.505 8.864 -2.612 1.00 0.00 O ATOM 73 CB VAL A 377 -3.194 9.296 0.184 1.00 0.00 C ATOM 74 CG1 VAL A 377 -3.931 10.388 0.941 1.00 0.00 C ATOM 75 CG2 VAL A 377 -4.110 8.650 -0.845 1.00 0.00 C ATOM 0 H VAL A 377 -2.941 11.089 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 377 -1.203 10.090 0.326 1.00 0.00 H new ATOM 0 HB VAL A 377 -2.891 8.521 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 377 -4.830 9.972 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 377 -3.284 10.791 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 377 -4.209 11.185 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 377 -4.999 8.262 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 377 -4.404 9.392 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 377 -3.584 7.832 -1.338 1.00 0.00 H new ATOM 85 N LEU A 378 -0.521 7.907 -0.828 1.00 0.00 N ATOM 86 CA LEU A 378 0.142 6.875 -1.613 1.00 0.00 C ATOM 87 C LEU A 378 -0.387 5.488 -1.258 1.00 0.00 C ATOM 88 O LEU A 378 -0.873 5.262 -0.150 1.00 0.00 O ATOM 89 CB LEU A 378 1.663 6.957 -1.401 1.00 0.00 C ATOM 90 CG LEU A 378 2.285 5.866 -0.524 1.00 0.00 C ATOM 91 CD1 LEU A 378 2.953 4.810 -1.390 1.00 0.00 C ATOM 92 CD2 LEU A 378 3.290 6.473 0.443 1.00 0.00 C ATOM 0 H LEU A 378 -0.341 7.856 0.175 1.00 0.00 H new ATOM 0 HA LEU A 378 -0.075 7.045 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 378 2.147 6.928 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 378 1.895 7.926 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 378 1.493 5.390 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 378 3.391 4.041 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 378 2.212 4.357 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 378 3.736 5.274 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 378 3.723 5.685 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 378 4.081 6.971 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 378 2.787 7.199 1.082 1.00 0.00 H new ATOM 104 N CYS A 379 -0.289 4.564 -2.209 1.00 0.00 N ATOM 105 CA CYS A 379 -0.760 3.199 -2.002 1.00 0.00 C ATOM 106 C CYS A 379 0.345 2.186 -2.279 1.00 0.00 C ATOM 107 O CYS A 379 1.019 2.250 -3.306 1.00 0.00 O ATOM 108 CB CYS A 379 -1.966 2.905 -2.898 1.00 0.00 C ATOM 109 SG CYS A 379 -3.520 3.610 -2.301 1.00 0.00 S ATOM 0 H CYS A 379 0.112 4.736 -3.131 1.00 0.00 H new ATOM 0 HA CYS A 379 -1.059 3.108 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.765 3.291 -3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -2.081 1.825 -2.990 1.00 0.00 H new ATOM 0 HG CYS A 379 -4.478 3.309 -3.126 1.00 0.00 H new ATOM 115 N LEU A 380 0.521 1.253 -1.351 1.00 0.00 N ATOM 116 CA LEU A 380 1.535 0.213 -1.482 1.00 0.00 C ATOM 117 C LEU A 380 0.887 -1.169 -1.464 1.00 0.00 C ATOM 118 O LEU A 380 0.497 -1.672 -0.407 1.00 0.00 O ATOM 119 CB LEU A 380 2.569 0.322 -0.357 1.00 0.00 C ATOM 120 CG LEU A 380 2.578 1.652 0.403 1.00 0.00 C ATOM 121 CD1 LEU A 380 1.924 1.490 1.767 1.00 0.00 C ATOM 122 CD2 LEU A 380 4.002 2.166 0.553 1.00 0.00 C ATOM 0 H LEU A 380 -0.029 1.195 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 380 2.043 0.351 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 380 2.391 -0.483 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 380 3.560 0.159 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 380 2.005 2.382 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 380 1.939 2.444 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 380 0.892 1.162 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 380 2.471 0.747 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 380 3.992 3.112 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 380 4.596 1.437 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 380 4.440 2.318 -0.434 1.00 0.00 H new ATOM 134 N MET A 381 0.769 -1.776 -2.640 1.00 0.00 N ATOM 135 CA MET A 381 0.166 -3.098 -2.764 1.00 0.00 C ATOM 136 C MET A 381 1.230 -4.190 -2.779 1.00 0.00 C ATOM 137 O MET A 381 2.422 -3.908 -2.911 1.00 0.00 O ATOM 138 CB MET A 381 -0.678 -3.178 -4.036 1.00 0.00 C ATOM 139 CG MET A 381 -2.024 -2.485 -3.915 1.00 0.00 C ATOM 140 SD MET A 381 -1.913 -0.704 -4.167 1.00 0.00 S ATOM 141 CE MET A 381 -2.500 -0.564 -5.852 1.00 0.00 C ATOM 0 H MET A 381 1.084 -1.373 -3.522 1.00 0.00 H new ATOM 0 HA MET A 381 -0.475 -3.256 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 381 -0.122 -2.732 -4.860 1.00 0.00 H new ATOM 0 HB3 MET A 381 -0.839 -4.226 -4.290 1.00 0.00 H new ATOM 0 HG2 MET A 381 -2.714 -2.909 -4.645 1.00 0.00 H new ATOM 0 HG3 MET A 381 -2.443 -2.683 -2.928 1.00 0.00 H new ATOM 0 HE1 MET A 381 -2.490 0.483 -6.155 1.00 0.00 H new ATOM 0 HE2 MET A 381 -1.851 -1.139 -6.512 1.00 0.00 H new ATOM 0 HE3 MET A 381 -3.517 -0.951 -5.916 1.00 0.00 H new ATOM 151 N ASN A 382 0.787 -5.439 -2.647 1.00 0.00 N ATOM 152 CA ASN A 382 1.692 -6.584 -2.641 1.00 0.00 C ATOM 153 C ASN A 382 2.752 -6.433 -1.553 1.00 0.00 C ATOM 154 O ASN A 382 3.937 -6.268 -1.844 1.00 0.00 O ATOM 155 CB ASN A 382 2.359 -6.745 -4.010 1.00 0.00 C ATOM 156 CG ASN A 382 2.744 -8.183 -4.301 1.00 0.00 C ATOM 157 OD1 ASN A 382 2.339 -9.103 -3.590 1.00 0.00 O ATOM 158 ND2 ASN A 382 3.530 -8.384 -5.353 1.00 0.00 N ATOM 0 H ASN A 382 -0.198 -5.683 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 382 1.106 -7.478 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 382 1.681 -6.389 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 382 3.249 -6.118 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 382 3.821 -9.330 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 382 3.842 -7.592 -5.915 1.00 0.00 H new ATOM 165 N MET A 383 2.314 -6.489 -0.298 1.00 0.00 N ATOM 166 CA MET A 383 3.221 -6.355 0.835 1.00 0.00 C ATOM 167 C MET A 383 2.624 -6.982 2.092 1.00 0.00 C ATOM 168 O MET A 383 3.141 -6.791 3.193 1.00 0.00 O ATOM 169 CB MET A 383 3.527 -4.878 1.095 1.00 0.00 C ATOM 170 CG MET A 383 4.791 -4.386 0.412 1.00 0.00 C ATOM 171 SD MET A 383 5.728 -3.232 1.431 1.00 0.00 S ATOM 172 CE MET A 383 4.525 -1.924 1.658 1.00 0.00 C ATOM 0 H MET A 383 1.336 -6.626 -0.041 1.00 0.00 H new ATOM 0 HA MET A 383 4.144 -6.880 0.590 1.00 0.00 H new ATOM 0 HB2 MET A 383 2.684 -4.276 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 383 3.620 -4.719 2.169 1.00 0.00 H new ATOM 0 HG2 MET A 383 5.421 -5.240 0.164 1.00 0.00 H new ATOM 0 HG3 MET A 383 4.526 -3.902 -0.528 1.00 0.00 H new ATOM 0 HE1 MET A 383 4.476 -1.654 2.713 1.00 0.00 H new ATOM 0 HE2 MET A 383 4.820 -1.053 1.073 1.00 0.00 H new ATOM 0 HE3 MET A 383 3.546 -2.269 1.326 1.00 0.00 H new ATOM 182 N VAL A 384 1.538 -7.732 1.924 1.00 0.00 N ATOM 183 CA VAL A 384 0.878 -8.371 3.058 1.00 0.00 C ATOM 184 C VAL A 384 0.146 -9.643 2.649 1.00 0.00 C ATOM 185 O VAL A 384 0.017 -9.953 1.465 1.00 0.00 O ATOM 186 CB VAL A 384 -0.137 -7.424 3.727 1.00 0.00 C ATOM 187 CG1 VAL A 384 0.455 -6.801 4.979 1.00 0.00 C ATOM 188 CG2 VAL A 384 -0.597 -6.348 2.752 1.00 0.00 C ATOM 0 H VAL A 384 1.099 -7.911 1.021 1.00 0.00 H new ATOM 0 HA VAL A 384 1.670 -8.622 3.763 1.00 0.00 H new ATOM 0 HB VAL A 384 -1.008 -8.010 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 384 -0.278 -6.136 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 384 0.722 -7.587 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 384 1.347 -6.232 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 384 -1.313 -5.691 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 384 0.263 -5.765 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 384 -1.070 -6.817 1.889 1.00 0.00 H new ATOM 198 N LEU A 385 -0.331 -10.373 3.652 1.00 0.00 N ATOM 199 CA LEU A 385 -1.068 -11.609 3.433 1.00 0.00 C ATOM 200 C LEU A 385 -2.261 -11.677 4.384 1.00 0.00 C ATOM 201 O LEU A 385 -2.209 -11.129 5.484 1.00 0.00 O ATOM 202 CB LEU A 385 -0.158 -12.822 3.642 1.00 0.00 C ATOM 203 CG LEU A 385 0.789 -13.135 2.482 1.00 0.00 C ATOM 204 CD1 LEU A 385 1.752 -14.247 2.866 1.00 0.00 C ATOM 205 CD2 LEU A 385 0.003 -13.518 1.237 1.00 0.00 C ATOM 0 H LEU A 385 -0.217 -10.125 4.635 1.00 0.00 H new ATOM 0 HA LEU A 385 -1.429 -11.623 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.436 -12.659 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -0.782 -13.696 3.826 1.00 0.00 H new ATOM 0 HG LEU A 385 1.368 -12.238 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 385 2.418 -14.457 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 385 2.341 -13.937 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 385 1.189 -15.146 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 385 0.694 -13.737 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -0.602 -14.400 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -0.647 -12.692 0.949 1.00 0.00 H new ATOM 217 N PRO A 386 -3.355 -12.348 3.980 1.00 0.00 N ATOM 218 CA PRO A 386 -4.554 -12.460 4.816 1.00 0.00 C ATOM 219 C PRO A 386 -4.300 -13.245 6.096 1.00 0.00 C ATOM 220 O PRO A 386 -5.047 -13.125 7.067 1.00 0.00 O ATOM 221 CB PRO A 386 -5.553 -13.194 3.922 1.00 0.00 C ATOM 222 CG PRO A 386 -4.719 -13.913 2.918 1.00 0.00 C ATOM 223 CD PRO A 386 -3.509 -13.050 2.693 1.00 0.00 C ATOM 0 HA PRO A 386 -4.906 -11.484 5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -6.162 -13.889 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -6.237 -12.496 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -4.433 -14.899 3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 386 -5.269 -14.064 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 386 -2.629 -13.645 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 386 -3.659 -12.353 1.869 1.00 0.00 H new ATOM 231 N GLU A 387 -3.244 -14.050 6.093 1.00 0.00 N ATOM 232 CA GLU A 387 -2.892 -14.847 7.260 1.00 0.00 C ATOM 233 C GLU A 387 -2.059 -14.025 8.237 1.00 0.00 C ATOM 234 O GLU A 387 -1.664 -14.510 9.296 1.00 0.00 O ATOM 235 CB GLU A 387 -2.123 -16.099 6.837 1.00 0.00 C ATOM 236 CG GLU A 387 -3.016 -17.216 6.322 1.00 0.00 C ATOM 237 CD GLU A 387 -2.755 -17.546 4.866 1.00 0.00 C ATOM 238 OE1 GLU A 387 -2.761 -16.613 4.036 1.00 0.00 O ATOM 239 OE2 GLU A 387 -2.544 -18.738 4.556 1.00 0.00 O ATOM 0 H GLU A 387 -2.618 -14.167 5.296 1.00 0.00 H new ATOM 0 HA GLU A 387 -3.812 -15.152 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -1.407 -15.830 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -1.548 -16.467 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -2.860 -18.109 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -4.060 -16.927 6.444 1.00 0.00 H new ATOM 246 N GLU A 388 -1.798 -12.774 7.867 1.00 0.00 N ATOM 247 CA GLU A 388 -1.016 -11.871 8.703 1.00 0.00 C ATOM 248 C GLU A 388 -1.896 -10.755 9.259 1.00 0.00 C ATOM 249 O GLU A 388 -1.680 -10.276 10.371 1.00 0.00 O ATOM 250 CB GLU A 388 0.138 -11.270 7.899 1.00 0.00 C ATOM 251 CG GLU A 388 1.390 -12.131 7.893 1.00 0.00 C ATOM 252 CD GLU A 388 2.580 -11.424 7.275 1.00 0.00 C ATOM 253 OE1 GLU A 388 2.427 -10.861 6.170 1.00 0.00 O ATOM 254 OE2 GLU A 388 3.664 -11.434 7.895 1.00 0.00 O ATOM 0 H GLU A 388 -2.118 -12.363 6.990 1.00 0.00 H new ATOM 0 HA GLU A 388 -0.609 -12.444 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -0.190 -11.113 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 388 0.383 -10.290 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 388 1.634 -12.419 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 388 1.192 -13.050 7.342 1.00 0.00 H new ATOM 261 N LEU A 389 -2.888 -10.348 8.471 1.00 0.00 N ATOM 262 CA LEU A 389 -3.805 -9.288 8.878 1.00 0.00 C ATOM 263 C LEU A 389 -4.981 -9.866 9.657 1.00 0.00 C ATOM 264 O LEU A 389 -6.099 -9.355 9.588 1.00 0.00 O ATOM 265 CB LEU A 389 -4.304 -8.514 7.651 1.00 0.00 C ATOM 266 CG LEU A 389 -3.247 -8.250 6.571 1.00 0.00 C ATOM 267 CD1 LEU A 389 -3.752 -7.238 5.554 1.00 0.00 C ATOM 268 CD2 LEU A 389 -1.951 -7.759 7.199 1.00 0.00 C ATOM 0 H LEU A 389 -3.077 -10.737 7.547 1.00 0.00 H new ATOM 0 HA LEU A 389 -3.268 -8.599 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 389 -5.128 -9.068 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 389 -4.707 -7.557 7.984 1.00 0.00 H new ATOM 0 HG LEU A 389 -3.052 -9.190 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 389 -2.985 -7.067 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 389 -4.653 -7.621 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 389 -3.980 -6.299 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 389 -1.214 -7.577 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 389 -2.138 -6.833 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 389 -1.571 -8.514 7.887 1.00 0.00 H new ATOM 280 N LEU A 390 -4.714 -10.935 10.396 1.00 0.00 N ATOM 281 CA LEU A 390 -5.738 -11.592 11.196 1.00 0.00 C ATOM 282 C LEU A 390 -5.257 -11.777 12.632 1.00 0.00 C ATOM 283 O LEU A 390 -6.054 -12.016 13.539 1.00 0.00 O ATOM 284 CB LEU A 390 -6.101 -12.943 10.580 1.00 0.00 C ATOM 285 CG LEU A 390 -7.486 -13.014 9.942 1.00 0.00 C ATOM 286 CD1 LEU A 390 -7.547 -14.143 8.926 1.00 0.00 C ATOM 287 CD2 LEU A 390 -8.555 -13.194 11.009 1.00 0.00 C ATOM 0 H LEU A 390 -3.792 -11.367 10.458 1.00 0.00 H new ATOM 0 HA LEU A 390 -6.627 -10.961 11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -5.357 -13.191 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -6.035 -13.707 11.355 1.00 0.00 H new ATOM 0 HG LEU A 390 -7.675 -12.075 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -8.541 -14.179 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -6.806 -13.970 8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -7.337 -15.091 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -9.536 -13.243 10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -8.370 -14.118 11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -8.526 -12.351 11.699 1.00 0.00 H new ATOM 299 N ASP A 391 -3.946 -11.663 12.826 1.00 0.00 N ATOM 300 CA ASP A 391 -3.351 -11.809 14.149 1.00 0.00 C ATOM 301 C ASP A 391 -3.120 -10.441 14.784 1.00 0.00 C ATOM 302 O ASP A 391 -2.909 -9.451 14.084 1.00 0.00 O ATOM 303 CB ASP A 391 -2.030 -12.575 14.059 1.00 0.00 C ATOM 304 CG ASP A 391 -2.232 -14.079 14.076 1.00 0.00 C ATOM 305 OD1 ASP A 391 -2.562 -14.620 15.153 1.00 0.00 O ATOM 306 OD2 ASP A 391 -2.057 -14.713 13.015 1.00 0.00 O ATOM 0 H ASP A 391 -3.276 -11.470 12.082 1.00 0.00 H new ATOM 0 HA ASP A 391 -4.042 -12.374 14.775 1.00 0.00 H new ATOM 0 HB2 ASP A 391 -1.510 -12.291 13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 391 -1.389 -12.288 14.892 1.00 0.00 H new ATOM 311 N ASP A 392 -3.158 -10.393 16.111 1.00 0.00 N ATOM 312 CA ASP A 392 -2.963 -9.143 16.838 1.00 0.00 C ATOM 313 C ASP A 392 -1.496 -8.718 16.833 1.00 0.00 C ATOM 314 O ASP A 392 -1.179 -7.551 16.597 1.00 0.00 O ATOM 315 CB ASP A 392 -3.457 -9.288 18.278 1.00 0.00 C ATOM 316 CG ASP A 392 -4.803 -8.623 18.498 1.00 0.00 C ATOM 317 OD1 ASP A 392 -5.824 -9.194 18.061 1.00 0.00 O ATOM 318 OD2 ASP A 392 -4.836 -7.533 19.107 1.00 0.00 O ATOM 0 H ASP A 392 -3.322 -11.205 16.706 1.00 0.00 H new ATOM 0 HA ASP A 392 -3.542 -8.370 16.333 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -3.532 -10.346 18.528 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -2.724 -8.851 18.956 1.00 0.00 H new ATOM 323 N GLU A 393 -0.605 -9.671 17.086 1.00 0.00 N ATOM 324 CA GLU A 393 0.826 -9.389 17.125 1.00 0.00 C ATOM 325 C GLU A 393 1.399 -9.218 15.721 1.00 0.00 C ATOM 326 O GLU A 393 2.188 -8.306 15.470 1.00 0.00 O ATOM 327 CB GLU A 393 1.565 -10.513 17.855 1.00 0.00 C ATOM 328 CG GLU A 393 2.923 -10.097 18.396 1.00 0.00 C ATOM 329 CD GLU A 393 3.577 -11.184 19.226 1.00 0.00 C ATOM 330 OE1 GLU A 393 2.882 -11.784 20.072 1.00 0.00 O ATOM 331 OE2 GLU A 393 4.785 -11.434 19.029 1.00 0.00 O ATOM 0 H GLU A 393 -0.848 -10.645 17.267 1.00 0.00 H new ATOM 0 HA GLU A 393 0.967 -8.452 17.664 1.00 0.00 H new ATOM 0 HB2 GLU A 393 0.947 -10.867 18.680 1.00 0.00 H new ATOM 0 HB3 GLU A 393 1.697 -11.353 17.173 1.00 0.00 H new ATOM 0 HG2 GLU A 393 3.577 -9.837 17.564 1.00 0.00 H new ATOM 0 HG3 GLU A 393 2.809 -9.200 19.004 1.00 0.00 H new ATOM 338 N GLU A 394 0.995 -10.097 14.811 1.00 0.00 N ATOM 339 CA GLU A 394 1.477 -10.049 13.434 1.00 0.00 C ATOM 340 C GLU A 394 1.103 -8.734 12.759 1.00 0.00 C ATOM 341 O GLU A 394 1.950 -8.074 12.157 1.00 0.00 O ATOM 342 CB GLU A 394 0.918 -11.225 12.633 1.00 0.00 C ATOM 343 CG GLU A 394 1.976 -11.977 11.840 1.00 0.00 C ATOM 344 CD GLU A 394 3.064 -12.555 12.724 1.00 0.00 C ATOM 345 OE1 GLU A 394 2.824 -13.608 13.349 1.00 0.00 O ATOM 346 OE2 GLU A 394 4.156 -11.953 12.789 1.00 0.00 O ATOM 0 H GLU A 394 0.335 -10.851 15.001 1.00 0.00 H new ATOM 0 HA GLU A 394 2.564 -10.119 13.461 1.00 0.00 H new ATOM 0 HB2 GLU A 394 0.426 -11.918 13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 394 0.155 -10.857 11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.501 -12.783 11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 394 2.425 -11.303 11.110 1.00 0.00 H new ATOM 353 N TYR A 395 -0.167 -8.357 12.860 1.00 0.00 N ATOM 354 CA TYR A 395 -0.650 -7.129 12.258 1.00 0.00 C ATOM 355 C TYR A 395 0.054 -5.912 12.852 1.00 0.00 C ATOM 356 O TYR A 395 0.472 -5.013 12.122 1.00 0.00 O ATOM 357 CB TYR A 395 -2.157 -7.017 12.461 1.00 0.00 C ATOM 358 CG TYR A 395 -2.742 -5.735 11.933 1.00 0.00 C ATOM 359 CD1 TYR A 395 -2.550 -5.357 10.613 1.00 0.00 C ATOM 360 CD2 TYR A 395 -3.483 -4.901 12.756 1.00 0.00 C ATOM 361 CE1 TYR A 395 -3.080 -4.184 10.126 1.00 0.00 C ATOM 362 CE2 TYR A 395 -4.017 -3.725 12.278 1.00 0.00 C ATOM 363 CZ TYR A 395 -3.814 -3.368 10.960 1.00 0.00 C ATOM 364 OH TYR A 395 -4.347 -2.195 10.479 1.00 0.00 O ATOM 0 H TYR A 395 -0.880 -8.890 13.357 1.00 0.00 H new ATOM 0 HA TYR A 395 -0.429 -7.156 11.191 1.00 0.00 H new ATOM 0 HB2 TYR A 395 -2.645 -7.859 11.970 1.00 0.00 H new ATOM 0 HB3 TYR A 395 -2.379 -7.097 13.525 1.00 0.00 H new ATOM 0 HD1 TYR A 395 -1.975 -5.993 9.956 1.00 0.00 H new ATOM 0 HD2 TYR A 395 -3.644 -5.178 13.787 1.00 0.00 H new ATOM 0 HE1 TYR A 395 -2.922 -3.904 9.095 1.00 0.00 H new ATOM 0 HE2 TYR A 395 -4.592 -3.085 12.931 1.00 0.00 H new ATOM 0 HH TYR A 395 -4.836 -1.740 11.196 1.00 0.00 H new ATOM 374 N GLU A 396 0.176 -5.887 14.176 1.00 0.00 N ATOM 375 CA GLU A 396 0.834 -4.780 14.859 1.00 0.00 C ATOM 376 C GLU A 396 2.232 -4.552 14.294 1.00 0.00 C ATOM 377 O GLU A 396 2.702 -3.418 14.209 1.00 0.00 O ATOM 378 CB GLU A 396 0.915 -5.051 16.363 1.00 0.00 C ATOM 379 CG GLU A 396 0.420 -3.896 17.218 1.00 0.00 C ATOM 380 CD GLU A 396 -0.984 -3.453 16.849 1.00 0.00 C ATOM 381 OE1 GLU A 396 -1.893 -4.310 16.840 1.00 0.00 O ATOM 382 OE2 GLU A 396 -1.174 -2.250 16.573 1.00 0.00 O ATOM 0 H GLU A 396 -0.172 -6.619 14.795 1.00 0.00 H new ATOM 0 HA GLU A 396 0.241 -3.880 14.695 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.330 -5.941 16.595 1.00 0.00 H new ATOM 0 HB3 GLU A 396 1.949 -5.271 16.629 1.00 0.00 H new ATOM 0 HG2 GLU A 396 0.439 -4.192 18.267 1.00 0.00 H new ATOM 0 HG3 GLU A 396 1.102 -3.053 17.112 1.00 0.00 H new ATOM 389 N GLU A 397 2.891 -5.641 13.909 1.00 0.00 N ATOM 390 CA GLU A 397 4.234 -5.564 13.346 1.00 0.00 C ATOM 391 C GLU A 397 4.201 -4.951 11.948 1.00 0.00 C ATOM 392 O GLU A 397 5.085 -4.178 11.577 1.00 0.00 O ATOM 393 CB GLU A 397 4.864 -6.958 13.288 1.00 0.00 C ATOM 394 CG GLU A 397 6.323 -6.995 13.702 1.00 0.00 C ATOM 395 CD GLU A 397 7.096 -5.769 13.254 1.00 0.00 C ATOM 396 OE1 GLU A 397 7.396 -5.665 12.046 1.00 0.00 O ATOM 397 OE2 GLU A 397 7.401 -4.914 14.111 1.00 0.00 O ATOM 0 H GLU A 397 2.516 -6.587 13.977 1.00 0.00 H new ATOM 0 HA GLU A 397 4.838 -4.925 13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 397 4.297 -7.629 13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 397 4.776 -7.343 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 397 6.385 -7.081 14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 397 6.791 -7.886 13.284 1.00 0.00 H new ATOM 404 N ILE A 398 3.176 -5.304 11.179 1.00 0.00 N ATOM 405 CA ILE A 398 3.019 -4.791 9.821 1.00 0.00 C ATOM 406 C ILE A 398 2.891 -3.270 9.814 1.00 0.00 C ATOM 407 O ILE A 398 3.632 -2.576 9.118 1.00 0.00 O ATOM 408 CB ILE A 398 1.779 -5.398 9.137 1.00 0.00 C ATOM 409 CG1 ILE A 398 1.910 -6.920 9.051 1.00 0.00 C ATOM 410 CG2 ILE A 398 1.580 -4.795 7.753 1.00 0.00 C ATOM 411 CD1 ILE A 398 3.134 -7.391 8.294 1.00 0.00 C ATOM 0 H ILE A 398 2.439 -5.945 11.473 1.00 0.00 H new ATOM 0 HA ILE A 398 3.914 -5.079 9.269 1.00 0.00 H new ATOM 0 HB ILE A 398 0.902 -5.162 9.739 1.00 0.00 H new ATOM 0 HG12 ILE A 398 1.940 -7.329 10.061 1.00 0.00 H new ATOM 0 HG13 ILE A 398 1.020 -7.324 8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 398 0.699 -5.237 7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 398 1.441 -3.718 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 398 2.457 -4.998 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 398 3.155 -8.481 8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 398 3.098 -7.013 7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 398 4.032 -7.018 8.787 1.00 0.00 H new ATOM 423 N VAL A 399 1.945 -2.762 10.597 1.00 0.00 N ATOM 424 CA VAL A 399 1.701 -1.325 10.680 1.00 0.00 C ATOM 425 C VAL A 399 2.921 -0.574 11.204 1.00 0.00 C ATOM 426 O VAL A 399 3.304 0.460 10.658 1.00 0.00 O ATOM 427 CB VAL A 399 0.498 -1.006 11.590 1.00 0.00 C ATOM 428 CG1 VAL A 399 -0.077 0.362 11.254 1.00 0.00 C ATOM 429 CG2 VAL A 399 -0.570 -2.084 11.472 1.00 0.00 C ATOM 0 H VAL A 399 1.332 -3.326 11.186 1.00 0.00 H new ATOM 0 HA VAL A 399 1.485 -0.995 9.664 1.00 0.00 H new ATOM 0 HB VAL A 399 0.846 -0.987 12.623 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -0.925 0.570 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 399 0.688 1.124 11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -0.407 0.373 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -1.409 -1.838 12.123 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -0.916 -2.142 10.440 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -0.151 -3.045 11.769 1.00 0.00 H new ATOM 439 N GLU A 400 3.524 -1.099 12.266 1.00 0.00 N ATOM 440 CA GLU A 400 4.694 -0.473 12.878 1.00 0.00 C ATOM 441 C GLU A 400 5.807 -0.234 11.860 1.00 0.00 C ATOM 442 O GLU A 400 6.279 0.891 11.698 1.00 0.00 O ATOM 443 CB GLU A 400 5.219 -1.341 14.021 1.00 0.00 C ATOM 444 CG GLU A 400 5.834 -0.543 15.159 1.00 0.00 C ATOM 445 CD GLU A 400 5.331 -0.987 16.519 1.00 0.00 C ATOM 446 OE1 GLU A 400 5.876 -1.971 17.061 1.00 0.00 O ATOM 447 OE2 GLU A 400 4.392 -0.350 17.041 1.00 0.00 O ATOM 0 H GLU A 400 3.221 -1.959 12.723 1.00 0.00 H new ATOM 0 HA GLU A 400 4.381 0.496 13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 400 4.401 -1.945 14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 400 5.965 -2.032 13.628 1.00 0.00 H new ATOM 0 HG2 GLU A 400 6.919 -0.645 15.125 1.00 0.00 H new ATOM 0 HG3 GLU A 400 5.609 0.514 15.020 1.00 0.00 H new ATOM 454 N ASP A 401 6.224 -1.296 11.180 1.00 0.00 N ATOM 455 CA ASP A 401 7.288 -1.202 10.185 1.00 0.00 C ATOM 456 C ASP A 401 6.917 -0.247 9.054 1.00 0.00 C ATOM 457 O ASP A 401 7.666 0.676 8.740 1.00 0.00 O ATOM 458 CB ASP A 401 7.603 -2.586 9.616 1.00 0.00 C ATOM 459 CG ASP A 401 8.556 -3.371 10.496 1.00 0.00 C ATOM 460 OD1 ASP A 401 8.563 -3.133 11.723 1.00 0.00 O ATOM 461 OD2 ASP A 401 9.296 -4.222 9.961 1.00 0.00 O ATOM 0 H ASP A 401 5.841 -2.234 11.299 1.00 0.00 H new ATOM 0 HA ASP A 401 8.172 -0.805 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 401 6.676 -3.147 9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 401 8.037 -2.477 8.622 1.00 0.00 H new ATOM 466 N VAL A 402 5.757 -0.477 8.445 1.00 0.00 N ATOM 467 CA VAL A 402 5.288 0.361 7.344 1.00 0.00 C ATOM 468 C VAL A 402 5.172 1.823 7.772 1.00 0.00 C ATOM 469 O VAL A 402 5.271 2.733 6.946 1.00 0.00 O ATOM 470 CB VAL A 402 3.925 -0.131 6.816 1.00 0.00 C ATOM 471 CG1 VAL A 402 3.376 0.811 5.754 1.00 0.00 C ATOM 472 CG2 VAL A 402 4.049 -1.543 6.265 1.00 0.00 C ATOM 0 H VAL A 402 5.124 -1.237 8.695 1.00 0.00 H new ATOM 0 HA VAL A 402 6.026 0.287 6.545 1.00 0.00 H new ATOM 0 HB VAL A 402 3.223 -0.142 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 402 2.414 0.439 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 402 3.246 1.805 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.074 0.864 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.079 -1.876 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 402 4.771 -1.553 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 402 4.387 -2.214 7.055 1.00 0.00 H new ATOM 482 N ARG A 403 4.971 2.044 9.067 1.00 0.00 N ATOM 483 CA ARG A 403 4.839 3.395 9.602 1.00 0.00 C ATOM 484 C ARG A 403 6.197 4.080 9.717 1.00 0.00 C ATOM 485 O ARG A 403 6.413 5.150 9.149 1.00 0.00 O ATOM 486 CB ARG A 403 4.159 3.356 10.971 1.00 0.00 C ATOM 487 CG ARG A 403 3.764 4.727 11.495 1.00 0.00 C ATOM 488 CD ARG A 403 2.628 4.632 12.500 1.00 0.00 C ATOM 489 NE ARG A 403 1.431 5.331 12.039 1.00 0.00 N ATOM 490 CZ ARG A 403 1.190 6.618 12.274 1.00 0.00 C ATOM 491 NH1 ARG A 403 2.060 7.345 12.964 1.00 0.00 N ATOM 492 NH2 ARG A 403 0.078 7.180 11.821 1.00 0.00 N ATOM 0 H ARG A 403 4.896 1.305 9.766 1.00 0.00 H new ATOM 0 HA ARG A 403 4.225 3.971 8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 403 3.269 2.731 10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 403 4.830 2.882 11.687 1.00 0.00 H new ATOM 0 HG2 ARG A 403 4.627 5.201 11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 403 3.463 5.363 10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.389 3.584 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.950 5.053 13.452 1.00 0.00 H new ATOM 0 HE ARG A 403 0.740 4.802 11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 403 2.916 6.917 13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 403 1.872 8.332 13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 403 -0.595 6.625 11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 403 -0.105 8.167 12.002 1.00 0.00 H new ATOM 506 N ASP A 404 7.109 3.455 10.455 1.00 0.00 N ATOM 507 CA ASP A 404 8.446 4.003 10.654 1.00 0.00 C ATOM 508 C ASP A 404 9.179 4.174 9.327 1.00 0.00 C ATOM 509 O ASP A 404 10.041 5.043 9.194 1.00 0.00 O ATOM 510 CB ASP A 404 9.256 3.094 11.580 1.00 0.00 C ATOM 511 CG ASP A 404 10.011 3.871 12.639 1.00 0.00 C ATOM 512 OD1 ASP A 404 9.430 4.819 13.209 1.00 0.00 O ATOM 513 OD2 ASP A 404 11.184 3.532 12.900 1.00 0.00 O ATOM 0 H ASP A 404 6.945 2.565 10.927 1.00 0.00 H new ATOM 0 HA ASP A 404 8.339 4.986 11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 404 8.586 2.383 12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 404 9.962 2.513 10.987 1.00 0.00 H new ATOM 518 N GLU A 405 8.833 3.343 8.351 1.00 0.00 N ATOM 519 CA GLU A 405 9.462 3.400 7.038 1.00 0.00 C ATOM 520 C GLU A 405 8.927 4.569 6.216 1.00 0.00 C ATOM 521 O GLU A 405 9.697 5.338 5.642 1.00 0.00 O ATOM 522 CB GLU A 405 9.234 2.085 6.292 1.00 0.00 C ATOM 523 CG GLU A 405 10.130 0.953 6.768 1.00 0.00 C ATOM 524 CD GLU A 405 11.605 1.293 6.668 1.00 0.00 C ATOM 525 OE1 GLU A 405 11.993 1.973 5.695 1.00 0.00 O ATOM 526 OE2 GLU A 405 12.371 0.880 7.564 1.00 0.00 O ATOM 0 H GLU A 405 8.119 2.621 8.445 1.00 0.00 H new ATOM 0 HA GLU A 405 10.532 3.553 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 405 8.192 1.786 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 405 9.402 2.247 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 405 9.886 0.712 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 405 9.926 0.060 6.177 1.00 0.00 H new ATOM 533 N CYS A 406 7.604 4.697 6.163 1.00 0.00 N ATOM 534 CA CYS A 406 6.969 5.773 5.409 1.00 0.00 C ATOM 535 C CYS A 406 7.293 7.134 6.021 1.00 0.00 C ATOM 536 O CYS A 406 7.274 8.155 5.333 1.00 0.00 O ATOM 537 CB CYS A 406 5.454 5.567 5.363 1.00 0.00 C ATOM 538 SG CYS A 406 4.872 4.733 3.868 1.00 0.00 S ATOM 0 H CYS A 406 6.952 4.069 6.633 1.00 0.00 H new ATOM 0 HA CYS A 406 7.362 5.751 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 406 5.150 4.985 6.233 1.00 0.00 H new ATOM 0 HB3 CYS A 406 4.963 6.537 5.440 1.00 0.00 H new ATOM 0 HG CYS A 406 4.093 3.746 4.197 1.00 0.00 H new ATOM 544 N SER A 407 7.588 7.139 7.318 1.00 0.00 N ATOM 545 CA SER A 407 7.915 8.374 8.026 1.00 0.00 C ATOM 546 C SER A 407 9.417 8.647 7.991 1.00 0.00 C ATOM 547 O SER A 407 9.976 9.213 8.932 1.00 0.00 O ATOM 548 CB SER A 407 7.433 8.298 9.475 1.00 0.00 C ATOM 549 OG SER A 407 7.333 9.591 10.049 1.00 0.00 O ATOM 0 H SER A 407 7.607 6.302 7.901 1.00 0.00 H new ATOM 0 HA SER A 407 7.406 9.195 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 407 6.462 7.804 9.513 1.00 0.00 H new ATOM 0 HB3 SER A 407 8.123 7.690 10.060 1.00 0.00 H new ATOM 0 HG SER A 407 8.184 10.065 9.939 1.00 0.00 H new ATOM 555 N LYS A 408 10.065 8.245 6.902 1.00 0.00 N ATOM 556 CA LYS A 408 11.504 8.445 6.752 1.00 0.00 C ATOM 557 C LYS A 408 11.798 9.493 5.686 1.00 0.00 C ATOM 558 O LYS A 408 12.902 10.033 5.618 1.00 0.00 O ATOM 559 CB LYS A 408 12.189 7.129 6.381 1.00 0.00 C ATOM 560 CG LYS A 408 12.503 6.243 7.574 1.00 0.00 C ATOM 561 CD LYS A 408 13.657 5.299 7.276 1.00 0.00 C ATOM 562 CE LYS A 408 14.441 4.962 8.534 1.00 0.00 C ATOM 563 NZ LYS A 408 15.475 5.990 8.835 1.00 0.00 N ATOM 0 H LYS A 408 9.619 7.780 6.112 1.00 0.00 H new ATOM 0 HA LYS A 408 11.895 8.797 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.549 6.579 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.115 7.349 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.752 6.864 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 408 11.619 5.665 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 408 13.272 4.382 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.322 5.756 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 408 13.756 4.878 9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 408 14.919 3.990 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 15.988 5.724 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 16.144 6.052 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 15.017 6.913 8.975 1.00 0.00 H new ATOM 577 N TYR A 409 10.799 9.779 4.859 1.00 0.00 N ATOM 578 CA TYR A 409 10.947 10.758 3.788 1.00 0.00 C ATOM 579 C TYR A 409 10.136 12.014 4.083 1.00 0.00 C ATOM 580 O TYR A 409 10.293 13.035 3.414 1.00 0.00 O ATOM 581 CB TYR A 409 10.505 10.156 2.452 1.00 0.00 C ATOM 582 CG TYR A 409 10.673 8.653 2.373 1.00 0.00 C ATOM 583 CD1 TYR A 409 9.658 7.798 2.787 1.00 0.00 C ATOM 584 CD2 TYR A 409 11.845 8.093 1.883 1.00 0.00 C ATOM 585 CE1 TYR A 409 9.810 6.426 2.716 1.00 0.00 C ATOM 586 CE2 TYR A 409 12.004 6.722 1.809 1.00 0.00 C ATOM 587 CZ TYR A 409 10.984 5.893 2.225 1.00 0.00 C ATOM 588 OH TYR A 409 11.137 4.528 2.152 1.00 0.00 O ATOM 0 H TYR A 409 9.877 9.346 4.910 1.00 0.00 H new ATOM 0 HA TYR A 409 12.000 11.032 3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 409 9.458 10.405 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 409 11.078 10.619 1.648 1.00 0.00 H new ATOM 0 HD1 TYR A 409 8.737 8.212 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 409 12.646 8.739 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 409 9.013 5.774 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 409 12.923 6.302 1.427 1.00 0.00 H new ATOM 0 HH TYR A 409 12.020 4.317 1.783 1.00 0.00 H new ATOM 598 N GLY A 410 9.271 11.931 5.088 1.00 0.00 N ATOM 599 CA GLY A 410 8.449 13.070 5.448 1.00 0.00 C ATOM 600 C GLY A 410 7.481 12.765 6.572 1.00 0.00 C ATOM 601 O GLY A 410 7.817 12.049 7.516 1.00 0.00 O ATOM 0 H GLY A 410 9.125 11.098 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 410 9.093 13.898 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 410 7.889 13.399 4.572 1.00 0.00 H new ATOM 605 N LEU A 411 6.274 13.314 6.468 1.00 0.00 N ATOM 606 CA LEU A 411 5.245 13.105 7.482 1.00 0.00 C ATOM 607 C LEU A 411 4.071 12.312 6.920 1.00 0.00 C ATOM 608 O LEU A 411 3.574 12.606 5.833 1.00 0.00 O ATOM 609 CB LEU A 411 4.744 14.451 8.015 1.00 0.00 C ATOM 610 CG LEU A 411 5.141 14.777 9.456 1.00 0.00 C ATOM 611 CD1 LEU A 411 4.730 13.656 10.401 1.00 0.00 C ATOM 612 CD2 LEU A 411 6.635 15.032 9.541 1.00 0.00 C ATOM 0 H LEU A 411 5.984 13.908 5.691 1.00 0.00 H new ATOM 0 HA LEU A 411 5.692 12.534 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 411 5.119 15.242 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 411 3.657 14.469 7.943 1.00 0.00 H new ATOM 0 HG LEU A 411 4.615 15.681 9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 411 5.024 13.912 11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 411 3.649 13.522 10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 411 5.223 12.730 10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 411 6.907 15.263 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 411 7.175 14.143 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 411 6.898 15.873 8.899 1.00 0.00 H new ATOM 624 N VAL A 412 3.634 11.304 7.668 1.00 0.00 N ATOM 625 CA VAL A 412 2.509 10.477 7.256 1.00 0.00 C ATOM 626 C VAL A 412 1.348 10.632 8.236 1.00 0.00 C ATOM 627 O VAL A 412 1.445 10.237 9.398 1.00 0.00 O ATOM 628 CB VAL A 412 2.905 8.988 7.149 1.00 0.00 C ATOM 629 CG1 VAL A 412 3.597 8.516 8.418 1.00 0.00 C ATOM 630 CG2 VAL A 412 1.685 8.129 6.850 1.00 0.00 C ATOM 0 H VAL A 412 4.044 11.041 8.564 1.00 0.00 H new ATOM 0 HA VAL A 412 2.198 10.817 6.268 1.00 0.00 H new ATOM 0 HB VAL A 412 3.609 8.884 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 412 3.865 7.464 8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 412 4.498 9.106 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 412 2.924 8.638 9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 412 1.985 7.084 6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 412 0.955 8.243 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 412 1.240 8.444 5.906 1.00 0.00 H new ATOM 640 N LYS A 413 0.255 11.221 7.760 1.00 0.00 N ATOM 641 CA LYS A 413 -0.922 11.442 8.594 1.00 0.00 C ATOM 642 C LYS A 413 -1.385 10.148 9.255 1.00 0.00 C ATOM 643 O LYS A 413 -1.597 10.108 10.467 1.00 0.00 O ATOM 644 CB LYS A 413 -2.060 12.043 7.767 1.00 0.00 C ATOM 645 CG LYS A 413 -1.993 13.556 7.653 1.00 0.00 C ATOM 646 CD LYS A 413 -3.014 14.082 6.662 1.00 0.00 C ATOM 647 CE LYS A 413 -4.248 14.620 7.368 1.00 0.00 C ATOM 648 NZ LYS A 413 -5.109 13.523 7.892 1.00 0.00 N ATOM 0 H LYS A 413 0.160 11.554 6.801 1.00 0.00 H new ATOM 0 HA LYS A 413 -0.643 12.145 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -2.040 11.610 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.013 11.762 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.168 14.004 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -0.993 13.855 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -2.565 14.871 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.303 13.284 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -3.943 15.267 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.824 15.235 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.035 13.909 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.240 12.802 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.654 13.091 8.722 1.00 0.00 H new ATOM 662 N SER A 414 -1.540 9.093 8.459 1.00 0.00 N ATOM 663 CA SER A 414 -1.985 7.807 8.992 1.00 0.00 C ATOM 664 C SER A 414 -1.794 6.680 7.981 1.00 0.00 C ATOM 665 O SER A 414 -1.274 6.893 6.886 1.00 0.00 O ATOM 666 CB SER A 414 -3.456 7.887 9.402 1.00 0.00 C ATOM 667 OG SER A 414 -4.289 8.111 8.277 1.00 0.00 O ATOM 0 H SER A 414 -1.367 9.101 7.454 1.00 0.00 H new ATOM 0 HA SER A 414 -1.372 7.584 9.866 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.749 6.961 9.897 1.00 0.00 H new ATOM 0 HB3 SER A 414 -3.592 8.692 10.125 1.00 0.00 H new ATOM 0 HG SER A 414 -5.224 8.156 8.566 1.00 0.00 H new ATOM 673 N ILE A 415 -2.210 5.476 8.369 1.00 0.00 N ATOM 674 CA ILE A 415 -2.104 4.303 7.506 1.00 0.00 C ATOM 675 C ILE A 415 -3.347 3.428 7.635 1.00 0.00 C ATOM 676 O ILE A 415 -3.819 3.164 8.741 1.00 0.00 O ATOM 677 CB ILE A 415 -0.866 3.447 7.845 1.00 0.00 C ATOM 678 CG1 ILE A 415 0.392 4.316 7.920 1.00 0.00 C ATOM 679 CG2 ILE A 415 -0.692 2.336 6.819 1.00 0.00 C ATOM 680 CD1 ILE A 415 1.585 3.598 8.511 1.00 0.00 C ATOM 0 H ILE A 415 -2.626 5.288 9.281 1.00 0.00 H new ATOM 0 HA ILE A 415 -2.007 4.673 6.485 1.00 0.00 H new ATOM 0 HB ILE A 415 -1.021 2.992 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.646 4.662 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 415 0.178 5.202 8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 415 0.186 1.741 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 415 -1.576 1.698 6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 415 -0.561 2.772 5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.441 4.273 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 415 1.350 3.276 9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.825 2.728 7.900 1.00 0.00 H new ATOM 692 N GLU A 416 -3.874 2.982 6.499 1.00 0.00 N ATOM 693 CA GLU A 416 -5.062 2.136 6.490 1.00 0.00 C ATOM 694 C GLU A 416 -4.729 0.731 5.997 1.00 0.00 C ATOM 695 O GLU A 416 -4.171 0.555 4.908 1.00 0.00 O ATOM 696 CB GLU A 416 -6.150 2.755 5.612 1.00 0.00 C ATOM 697 CG GLU A 416 -7.492 2.891 6.312 1.00 0.00 C ATOM 698 CD GLU A 416 -8.095 1.550 6.683 1.00 0.00 C ATOM 699 OE1 GLU A 416 -8.281 0.712 5.776 1.00 0.00 O ATOM 700 OE2 GLU A 416 -8.379 1.338 7.880 1.00 0.00 O ATOM 0 H GLU A 416 -3.498 3.192 5.574 1.00 0.00 H new ATOM 0 HA GLU A 416 -5.431 2.062 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -5.821 3.740 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -6.276 2.143 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -7.368 3.491 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -8.183 3.429 5.663 1.00 0.00 H new ATOM 707 N ILE A 417 -5.062 -0.265 6.817 1.00 0.00 N ATOM 708 CA ILE A 417 -4.814 -1.664 6.482 1.00 0.00 C ATOM 709 C ILE A 417 -5.998 -2.540 6.898 1.00 0.00 C ATOM 710 O ILE A 417 -6.487 -2.430 8.022 1.00 0.00 O ATOM 711 CB ILE A 417 -3.541 -2.200 7.172 1.00 0.00 C ATOM 712 CG1 ILE A 417 -2.519 -1.074 7.367 1.00 0.00 C ATOM 713 CG2 ILE A 417 -2.942 -3.340 6.361 1.00 0.00 C ATOM 714 CD1 ILE A 417 -1.298 -1.489 8.159 1.00 0.00 C ATOM 0 H ILE A 417 -5.507 -0.126 7.724 1.00 0.00 H new ATOM 0 HA ILE A 417 -4.678 -1.708 5.401 1.00 0.00 H new ATOM 0 HB ILE A 417 -3.813 -2.584 8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 417 -2.201 -0.711 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 417 -3.004 -0.240 7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 417 -2.045 -3.709 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 417 -3.669 -4.148 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 417 -2.683 -2.981 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 417 -0.621 -0.640 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 417 -1.604 -1.824 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 417 -0.789 -2.303 7.643 1.00 0.00 H new ATOM 726 N PRO A 418 -6.478 -3.425 6.001 1.00 0.00 N ATOM 727 CA PRO A 418 -7.605 -4.313 6.303 1.00 0.00 C ATOM 728 C PRO A 418 -7.215 -5.441 7.253 1.00 0.00 C ATOM 729 O PRO A 418 -6.144 -6.031 7.123 1.00 0.00 O ATOM 730 CB PRO A 418 -7.988 -4.876 4.934 1.00 0.00 C ATOM 731 CG PRO A 418 -6.729 -4.830 4.141 1.00 0.00 C ATOM 732 CD PRO A 418 -5.967 -3.627 4.630 1.00 0.00 C ATOM 0 HA PRO A 418 -8.417 -3.786 6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -8.367 -5.895 5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -8.773 -4.281 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -6.148 -5.742 4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -6.943 -4.748 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -4.892 -3.805 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -6.149 -2.755 4.002 1.00 0.00 H new ATOM 740 N ARG A 419 -8.092 -5.734 8.209 1.00 0.00 N ATOM 741 CA ARG A 419 -7.843 -6.784 9.183 1.00 0.00 C ATOM 742 C ARG A 419 -9.157 -7.452 9.569 1.00 0.00 C ATOM 743 O ARG A 419 -9.763 -7.111 10.584 1.00 0.00 O ATOM 744 CB ARG A 419 -7.137 -6.227 10.424 1.00 0.00 C ATOM 745 CG ARG A 419 -7.798 -4.984 11.007 1.00 0.00 C ATOM 746 CD ARG A 419 -8.436 -5.249 12.371 1.00 0.00 C ATOM 747 NE ARG A 419 -8.080 -6.558 12.922 1.00 0.00 N ATOM 748 CZ ARG A 419 -7.086 -6.749 13.784 1.00 0.00 C ATOM 749 NH1 ARG A 419 -6.346 -5.725 14.188 1.00 0.00 N ATOM 750 NH2 ARG A 419 -6.830 -7.967 14.242 1.00 0.00 N ATOM 0 H ARG A 419 -8.985 -5.255 8.327 1.00 0.00 H new ATOM 0 HA ARG A 419 -7.185 -7.527 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 419 -7.105 -7.002 11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 419 -6.105 -5.990 10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 419 -7.055 -4.192 11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 419 -8.560 -4.623 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 419 -8.127 -4.471 13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 419 -9.520 -5.182 12.279 1.00 0.00 H new ATOM 0 HE ARG A 419 -8.625 -7.369 12.628 1.00 0.00 H new ATOM 0 HH11 ARG A 419 -6.539 -4.787 13.837 1.00 0.00 H new ATOM 0 HH12 ARG A 419 -5.584 -5.876 14.849 1.00 0.00 H new ATOM 0 HH21 ARG A 419 -7.396 -8.757 13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 419 -6.067 -8.113 14.903 1.00 0.00 H new ATOM 764 N PRO A 420 -9.623 -8.411 8.752 1.00 0.00 N ATOM 765 CA PRO A 420 -10.877 -9.115 9.010 1.00 0.00 C ATOM 766 C PRO A 420 -11.026 -9.504 10.476 1.00 0.00 C ATOM 767 O PRO A 420 -10.187 -10.221 11.020 1.00 0.00 O ATOM 768 CB PRO A 420 -10.758 -10.353 8.130 1.00 0.00 C ATOM 769 CG PRO A 420 -9.904 -9.928 6.985 1.00 0.00 C ATOM 770 CD PRO A 420 -8.956 -8.892 7.526 1.00 0.00 C ATOM 0 HA PRO A 420 -11.753 -8.503 8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -10.306 -11.182 8.674 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -11.737 -10.691 7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -9.358 -10.776 6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -10.511 -9.516 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -7.978 -9.320 7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -8.798 -8.083 6.813 1.00 0.00 H new ATOM 778 N VAL A 421 -12.091 -9.019 11.116 1.00 0.00 N ATOM 779 CA VAL A 421 -12.323 -9.322 12.522 1.00 0.00 C ATOM 780 C VAL A 421 -12.407 -10.820 12.744 1.00 0.00 C ATOM 781 O VAL A 421 -13.466 -11.424 12.591 1.00 0.00 O ATOM 782 CB VAL A 421 -13.593 -8.647 13.073 1.00 0.00 C ATOM 783 CG1 VAL A 421 -13.785 -9.004 14.539 1.00 0.00 C ATOM 784 CG2 VAL A 421 -13.523 -7.139 12.887 1.00 0.00 C ATOM 0 H VAL A 421 -12.797 -8.422 10.686 1.00 0.00 H new ATOM 0 HA VAL A 421 -11.470 -8.918 13.067 1.00 0.00 H new ATOM 0 HB VAL A 421 -14.453 -9.015 12.514 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -14.686 -8.520 14.916 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.884 -10.085 14.640 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.923 -8.663 15.112 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -14.430 -6.681 13.283 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -12.656 -6.747 13.419 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -13.433 -6.907 11.826 1.00 0.00 H new ATOM 794 N ASP A 422 -11.280 -11.416 13.110 1.00 0.00 N ATOM 795 CA ASP A 422 -11.221 -12.850 13.320 1.00 0.00 C ATOM 796 C ASP A 422 -11.658 -13.542 12.039 1.00 0.00 C ATOM 797 O ASP A 422 -11.991 -14.728 12.026 1.00 0.00 O ATOM 798 CB ASP A 422 -12.113 -13.272 14.490 1.00 0.00 C ATOM 799 CG ASP A 422 -11.330 -13.933 15.607 1.00 0.00 C ATOM 800 OD1 ASP A 422 -10.330 -13.337 16.063 1.00 0.00 O ATOM 801 OD2 ASP A 422 -11.714 -15.045 16.025 1.00 0.00 O ATOM 0 H ASP A 422 -10.398 -10.927 13.266 1.00 0.00 H new ATOM 0 HA ASP A 422 -10.200 -13.139 13.570 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -12.631 -12.397 14.882 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -12.878 -13.960 14.130 1.00 0.00 H new ATOM 806 N GLY A 423 -11.648 -12.762 10.962 1.00 0.00 N ATOM 807 CA GLY A 423 -12.054 -13.247 9.665 1.00 0.00 C ATOM 808 C GLY A 423 -13.368 -12.631 9.220 1.00 0.00 C ATOM 809 O GLY A 423 -14.174 -13.290 8.563 1.00 0.00 O ATOM 0 H GLY A 423 -11.359 -11.784 10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -11.279 -13.019 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -12.153 -14.332 9.697 1.00 0.00 H new ATOM 813 N VAL A 424 -13.589 -11.361 9.578 1.00 0.00 N ATOM 814 CA VAL A 424 -14.828 -10.681 9.210 1.00 0.00 C ATOM 815 C VAL A 424 -14.663 -9.793 7.972 1.00 0.00 C ATOM 816 O VAL A 424 -14.870 -10.247 6.846 1.00 0.00 O ATOM 817 CB VAL A 424 -15.408 -9.848 10.377 1.00 0.00 C ATOM 818 CG1 VAL A 424 -16.521 -8.926 9.896 1.00 0.00 C ATOM 819 CG2 VAL A 424 -15.933 -10.766 11.470 1.00 0.00 C ATOM 0 H VAL A 424 -12.934 -10.793 10.115 1.00 0.00 H new ATOM 0 HA VAL A 424 -15.535 -11.475 8.968 1.00 0.00 H new ATOM 0 HB VAL A 424 -14.604 -9.232 10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 424 -16.909 -8.354 10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 424 -16.128 -8.243 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 424 -17.324 -9.521 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -16.338 -10.166 12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -16.718 -11.404 11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -15.120 -11.387 11.846 1.00 0.00 H new ATOM 874 N GLY A 428 -10.857 -6.495 -0.124 1.00 0.00 N ATOM 875 CA GLY A 428 -9.636 -6.419 -0.898 1.00 0.00 C ATOM 876 C GLY A 428 -8.421 -6.628 -0.021 1.00 0.00 C ATOM 877 O GLY A 428 -7.347 -6.089 -0.293 1.00 0.00 O ATOM 0 HA2 GLY A 428 -9.654 -7.172 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -9.572 -5.447 -1.388 1.00 0.00 H new ATOM 881 N CYS A 429 -8.609 -7.409 1.043 1.00 0.00 N ATOM 882 CA CYS A 429 -7.543 -7.703 1.995 1.00 0.00 C ATOM 883 C CYS A 429 -6.219 -7.974 1.287 1.00 0.00 C ATOM 884 O CYS A 429 -6.172 -8.698 0.291 1.00 0.00 O ATOM 885 CB CYS A 429 -7.925 -8.902 2.863 1.00 0.00 C ATOM 886 SG CYS A 429 -6.523 -9.913 3.394 1.00 0.00 S ATOM 0 H CYS A 429 -9.500 -7.852 1.267 1.00 0.00 H new ATOM 0 HA CYS A 429 -7.413 -6.825 2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.454 -8.543 3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.621 -9.530 2.308 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.865 -10.618 4.431 1.00 0.00 H new ATOM 892 N GLY A 430 -5.145 -7.390 1.810 1.00 0.00 N ATOM 893 CA GLY A 430 -3.834 -7.578 1.217 1.00 0.00 C ATOM 894 C GLY A 430 -3.306 -6.314 0.567 1.00 0.00 C ATOM 895 O GLY A 430 -2.453 -6.375 -0.319 1.00 0.00 O ATOM 0 H GLY A 430 -5.160 -6.790 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -3.135 -7.907 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -3.886 -8.372 0.472 1.00 0.00 H new ATOM 899 N LYS A 431 -3.815 -5.168 1.006 1.00 0.00 N ATOM 900 CA LYS A 431 -3.389 -3.882 0.462 1.00 0.00 C ATOM 901 C LYS A 431 -3.169 -2.865 1.575 1.00 0.00 C ATOM 902 O LYS A 431 -4.022 -2.689 2.444 1.00 0.00 O ATOM 903 CB LYS A 431 -4.434 -3.346 -0.519 1.00 0.00 C ATOM 904 CG LYS A 431 -4.608 -4.201 -1.762 1.00 0.00 C ATOM 905 CD LYS A 431 -6.010 -4.062 -2.337 1.00 0.00 C ATOM 906 CE LYS A 431 -6.099 -2.897 -3.310 1.00 0.00 C ATOM 907 NZ LYS A 431 -7.436 -2.819 -3.961 1.00 0.00 N ATOM 0 H LYS A 431 -4.523 -5.102 1.737 1.00 0.00 H new ATOM 0 HA LYS A 431 -2.446 -4.037 -0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.393 -3.268 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -4.151 -2.337 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -3.874 -3.908 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.415 -5.246 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.289 -4.985 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.724 -3.916 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.898 -1.966 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -5.329 -3.002 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.456 -2.012 -4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.618 -3.697 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.169 -2.693 -3.234 1.00 0.00 H new ATOM 921 N ILE A 432 -2.021 -2.196 1.543 1.00 0.00 N ATOM 922 CA ILE A 432 -1.702 -1.187 2.546 1.00 0.00 C ATOM 923 C ILE A 432 -1.445 0.159 1.890 1.00 0.00 C ATOM 924 O ILE A 432 -0.764 0.235 0.872 1.00 0.00 O ATOM 925 CB ILE A 432 -0.456 -1.561 3.373 1.00 0.00 C ATOM 926 CG1 ILE A 432 -0.467 -3.045 3.738 1.00 0.00 C ATOM 927 CG2 ILE A 432 -0.379 -0.699 4.625 1.00 0.00 C ATOM 928 CD1 ILE A 432 0.741 -3.472 4.544 1.00 0.00 C ATOM 0 H ILE A 432 -1.299 -2.334 0.836 1.00 0.00 H new ATOM 0 HA ILE A 432 -2.565 -1.132 3.209 1.00 0.00 H new ATOM 0 HB ILE A 432 0.429 -1.373 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -1.371 -3.266 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -0.513 -3.637 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 432 0.505 -0.972 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -0.316 0.351 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -1.271 -0.858 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 432 0.670 -4.536 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 432 1.647 -3.282 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 432 0.776 -2.906 5.475 1.00 0.00 H new ATOM 940 N PHE A 433 -1.991 1.219 2.471 1.00 0.00 N ATOM 941 CA PHE A 433 -1.787 2.559 1.935 1.00 0.00 C ATOM 942 C PHE A 433 -1.782 3.579 3.062 1.00 0.00 C ATOM 943 O PHE A 433 -2.425 3.378 4.090 1.00 0.00 O ATOM 944 CB PHE A 433 -2.838 2.904 0.878 1.00 0.00 C ATOM 945 CG PHE A 433 -4.261 2.741 1.328 1.00 0.00 C ATOM 946 CD1 PHE A 433 -4.935 3.798 1.909 1.00 0.00 C ATOM 947 CD2 PHE A 433 -4.928 1.540 1.151 1.00 0.00 C ATOM 948 CE1 PHE A 433 -6.249 3.665 2.310 1.00 0.00 C ATOM 949 CE2 PHE A 433 -6.244 1.400 1.547 1.00 0.00 C ATOM 950 CZ PHE A 433 -6.906 2.465 2.127 1.00 0.00 C ATOM 0 H PHE A 433 -2.574 1.179 3.307 1.00 0.00 H new ATOM 0 HA PHE A 433 -0.815 2.586 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -2.688 3.936 0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -2.674 2.274 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -4.427 4.740 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -4.414 0.705 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -6.762 4.499 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 433 -6.755 0.459 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 433 -7.935 2.359 2.436 1.00 0.00 H new ATOM 960 N VAL A 434 -1.056 4.675 2.869 1.00 0.00 N ATOM 961 CA VAL A 434 -0.949 5.696 3.903 1.00 0.00 C ATOM 962 C VAL A 434 -1.388 7.073 3.420 1.00 0.00 C ATOM 963 O VAL A 434 -1.246 7.415 2.244 1.00 0.00 O ATOM 964 CB VAL A 434 0.499 5.792 4.436 1.00 0.00 C ATOM 965 CG1 VAL A 434 1.132 4.415 4.509 1.00 0.00 C ATOM 966 CG2 VAL A 434 1.343 6.715 3.568 1.00 0.00 C ATOM 0 H VAL A 434 -0.538 4.878 2.014 1.00 0.00 H new ATOM 0 HA VAL A 434 -1.623 5.386 4.702 1.00 0.00 H new ATOM 0 HB VAL A 434 0.458 6.213 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 434 2.151 4.502 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 434 0.550 3.782 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 434 1.150 3.970 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.356 6.763 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 434 1.372 6.330 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 434 0.906 7.713 3.566 1.00 0.00 H new ATOM 976 N GLU A 435 -1.934 7.854 4.348 1.00 0.00 N ATOM 977 CA GLU A 435 -2.366 9.209 4.059 1.00 0.00 C ATOM 978 C GLU A 435 -1.218 10.164 4.344 1.00 0.00 C ATOM 979 O GLU A 435 -0.807 10.327 5.494 1.00 0.00 O ATOM 980 CB GLU A 435 -3.584 9.584 4.909 1.00 0.00 C ATOM 981 CG GLU A 435 -4.025 11.029 4.739 1.00 0.00 C ATOM 982 CD GLU A 435 -5.527 11.169 4.592 1.00 0.00 C ATOM 983 OE1 GLU A 435 -6.243 10.980 5.598 1.00 0.00 O ATOM 984 OE2 GLU A 435 -5.988 11.468 3.471 1.00 0.00 O ATOM 0 H GLU A 435 -2.087 7.564 5.314 1.00 0.00 H new ATOM 0 HA GLU A 435 -2.653 9.277 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -4.414 8.927 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -3.353 9.405 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -3.693 11.610 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -3.537 11.453 3.861 1.00 0.00 H new ATOM 991 N PHE A 436 -0.696 10.781 3.293 1.00 0.00 N ATOM 992 CA PHE A 436 0.421 11.705 3.428 1.00 0.00 C ATOM 993 C PHE A 436 -0.058 13.128 3.691 1.00 0.00 C ATOM 994 O PHE A 436 -1.251 13.422 3.611 1.00 0.00 O ATOM 995 CB PHE A 436 1.268 11.685 2.156 1.00 0.00 C ATOM 996 CG PHE A 436 2.635 11.097 2.342 1.00 0.00 C ATOM 997 CD1 PHE A 436 2.809 9.726 2.406 1.00 0.00 C ATOM 998 CD2 PHE A 436 3.745 11.919 2.445 1.00 0.00 C ATOM 999 CE1 PHE A 436 4.068 9.182 2.569 1.00 0.00 C ATOM 1000 CE2 PHE A 436 5.006 11.382 2.607 1.00 0.00 C ATOM 1001 CZ PHE A 436 5.168 10.011 2.670 1.00 0.00 C ATOM 0 H PHE A 436 -1.029 10.658 2.337 1.00 0.00 H new ATOM 0 HA PHE A 436 1.018 11.381 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 436 0.741 11.117 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 436 1.370 12.704 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 436 1.951 9.074 2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 436 3.623 12.991 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 436 4.192 8.110 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 436 5.865 12.032 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 436 6.154 9.588 2.798 1.00 0.00 H new ATOM 1011 N THR A 437 0.890 14.004 4.010 1.00 0.00 N ATOM 1012 CA THR A 437 0.587 15.402 4.282 1.00 0.00 C ATOM 1013 C THR A 437 0.807 16.256 3.037 1.00 0.00 C ATOM 1014 O THR A 437 0.002 17.132 2.722 1.00 0.00 O ATOM 1015 CB THR A 437 1.457 15.950 5.430 1.00 0.00 C ATOM 1016 OG1 THR A 437 2.839 15.927 5.054 1.00 0.00 O ATOM 1017 CG2 THR A 437 1.258 15.129 6.696 1.00 0.00 C ATOM 0 H THR A 437 1.879 13.767 4.086 1.00 0.00 H new ATOM 0 HA THR A 437 -0.461 15.453 4.577 1.00 0.00 H new ATOM 0 HB THR A 437 1.153 16.978 5.628 1.00 0.00 H new ATOM 0 HG1 THR A 437 3.384 16.279 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 437 1.881 15.533 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 437 0.211 15.172 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 437 1.539 14.093 6.506 1.00 0.00 H new ATOM 1025 N SER A 438 1.903 15.988 2.332 1.00 0.00 N ATOM 1026 CA SER A 438 2.236 16.724 1.116 1.00 0.00 C ATOM 1027 C SER A 438 2.762 15.776 0.043 1.00 0.00 C ATOM 1028 O SER A 438 3.417 14.779 0.349 1.00 0.00 O ATOM 1029 CB SER A 438 3.276 17.804 1.418 1.00 0.00 C ATOM 1030 OG SER A 438 2.893 19.050 0.863 1.00 0.00 O ATOM 0 H SER A 438 2.577 15.265 2.583 1.00 0.00 H new ATOM 0 HA SER A 438 1.329 17.201 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 438 3.398 17.905 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 438 4.243 17.505 1.015 1.00 0.00 H new ATOM 0 HG SER A 438 3.573 19.724 1.071 1.00 0.00 H new ATOM 1036 N VAL A 439 2.475 16.092 -1.218 1.00 0.00 N ATOM 1037 CA VAL A 439 2.918 15.257 -2.329 1.00 0.00 C ATOM 1038 C VAL A 439 4.416 15.406 -2.576 1.00 0.00 C ATOM 1039 O VAL A 439 4.969 14.767 -3.471 1.00 0.00 O ATOM 1040 CB VAL A 439 2.170 15.589 -3.630 1.00 0.00 C ATOM 1041 CG1 VAL A 439 0.685 15.326 -3.469 1.00 0.00 C ATOM 1042 CG2 VAL A 439 2.426 17.028 -4.054 1.00 0.00 C ATOM 0 H VAL A 439 1.941 16.916 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 439 2.696 14.229 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 439 2.549 14.939 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 439 0.170 15.566 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.526 14.275 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 439 0.291 15.947 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 439 1.885 17.237 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 439 2.083 17.704 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 439 3.494 17.175 -4.218 1.00 0.00 H new ATOM 1052 N PHE A 440 5.067 16.249 -1.782 1.00 0.00 N ATOM 1053 CA PHE A 440 6.501 16.474 -1.924 1.00 0.00 C ATOM 1054 C PHE A 440 7.268 15.305 -1.331 1.00 0.00 C ATOM 1055 O PHE A 440 8.135 14.717 -1.980 1.00 0.00 O ATOM 1056 CB PHE A 440 6.908 17.778 -1.233 1.00 0.00 C ATOM 1057 CG PHE A 440 7.462 18.810 -2.175 1.00 0.00 C ATOM 1058 CD1 PHE A 440 6.618 19.551 -2.986 1.00 0.00 C ATOM 1059 CD2 PHE A 440 8.827 19.039 -2.249 1.00 0.00 C ATOM 1060 CE1 PHE A 440 7.124 20.502 -3.852 1.00 0.00 C ATOM 1061 CE2 PHE A 440 9.339 19.988 -3.113 1.00 0.00 C ATOM 1062 CZ PHE A 440 8.486 20.720 -3.915 1.00 0.00 C ATOM 0 H PHE A 440 4.626 16.786 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 440 6.741 16.555 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 440 6.041 18.194 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.654 17.557 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 440 5.552 19.384 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 440 9.498 18.469 -1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 440 6.455 21.074 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 440 10.405 20.157 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 440 8.884 21.462 -4.591 1.00 0.00 H new ATOM 1072 N ASP A 441 6.931 14.967 -0.094 1.00 0.00 N ATOM 1073 CA ASP A 441 7.569 13.857 0.592 1.00 0.00 C ATOM 1074 C ASP A 441 6.972 12.547 0.101 1.00 0.00 C ATOM 1075 O ASP A 441 7.636 11.512 0.090 1.00 0.00 O ATOM 1076 CB ASP A 441 7.391 13.988 2.105 1.00 0.00 C ATOM 1077 CG ASP A 441 7.785 15.360 2.616 1.00 0.00 C ATOM 1078 OD1 ASP A 441 8.932 15.782 2.361 1.00 0.00 O ATOM 1079 OD2 ASP A 441 6.944 16.013 3.271 1.00 0.00 O ATOM 0 H ASP A 441 6.218 15.448 0.454 1.00 0.00 H new ATOM 0 HA ASP A 441 8.637 13.870 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 441 6.351 13.792 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 441 7.993 13.230 2.606 1.00 0.00 H new ATOM 1084 N CYS A 442 5.708 12.610 -0.310 1.00 0.00 N ATOM 1085 CA CYS A 442 5.007 11.442 -0.826 1.00 0.00 C ATOM 1086 C CYS A 442 5.659 10.963 -2.116 1.00 0.00 C ATOM 1087 O CYS A 442 5.818 9.761 -2.339 1.00 0.00 O ATOM 1088 CB CYS A 442 3.535 11.777 -1.074 1.00 0.00 C ATOM 1089 SG CYS A 442 2.432 10.345 -1.024 1.00 0.00 S ATOM 0 H CYS A 442 5.148 13.462 -0.295 1.00 0.00 H new ATOM 0 HA CYS A 442 5.067 10.644 -0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 442 3.208 12.500 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 442 3.442 12.259 -2.047 1.00 0.00 H new ATOM 0 HG CYS A 442 2.277 9.959 0.208 1.00 0.00 H new ATOM 1095 N GLN A 443 6.039 11.916 -2.962 1.00 0.00 N ATOM 1096 CA GLN A 443 6.682 11.604 -4.231 1.00 0.00 C ATOM 1097 C GLN A 443 8.076 11.035 -3.994 1.00 0.00 C ATOM 1098 O GLN A 443 8.440 10.004 -4.559 1.00 0.00 O ATOM 1099 CB GLN A 443 6.767 12.857 -5.106 1.00 0.00 C ATOM 1100 CG GLN A 443 7.417 12.615 -6.460 1.00 0.00 C ATOM 1101 CD GLN A 443 8.225 13.806 -6.939 1.00 0.00 C ATOM 1102 OE1 GLN A 443 9.328 13.652 -7.464 1.00 0.00 O ATOM 1103 NE2 GLN A 443 7.678 15.003 -6.761 1.00 0.00 N ATOM 0 H GLN A 443 5.912 12.913 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 443 6.082 10.855 -4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 443 5.762 13.250 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 443 7.331 13.623 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 443 8.066 11.742 -6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 443 6.645 12.385 -7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 443 6.761 15.085 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 443 8.175 15.841 -7.064 1.00 0.00 H new ATOM 1112 N LYS A 444 8.851 11.713 -3.152 1.00 0.00 N ATOM 1113 CA LYS A 444 10.205 11.271 -2.837 1.00 0.00 C ATOM 1114 C LYS A 444 10.177 10.000 -1.991 1.00 0.00 C ATOM 1115 O LYS A 444 11.210 9.365 -1.775 1.00 0.00 O ATOM 1116 CB LYS A 444 10.969 12.373 -2.102 1.00 0.00 C ATOM 1117 CG LYS A 444 12.301 12.722 -2.749 1.00 0.00 C ATOM 1118 CD LYS A 444 12.285 14.123 -3.340 1.00 0.00 C ATOM 1119 CE LYS A 444 13.288 15.031 -2.648 1.00 0.00 C ATOM 1120 NZ LYS A 444 13.719 16.156 -3.523 1.00 0.00 N ATOM 0 H LYS A 444 8.565 12.569 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 444 10.717 11.052 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 444 10.349 13.268 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 444 11.145 12.058 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 444 13.097 12.648 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 444 12.527 11.998 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 444 12.513 14.072 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 444 11.285 14.547 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 444 12.846 15.431 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 444 14.160 14.448 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 14.403 16.751 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 14.164 15.776 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 12.891 16.728 -3.786 1.00 0.00 H new ATOM 1134 N ALA A 445 8.989 9.637 -1.515 1.00 0.00 N ATOM 1135 CA ALA A 445 8.825 8.442 -0.698 1.00 0.00 C ATOM 1136 C ALA A 445 8.787 7.192 -1.567 1.00 0.00 C ATOM 1137 O ALA A 445 9.656 6.326 -1.464 1.00 0.00 O ATOM 1138 CB ALA A 445 7.559 8.541 0.141 1.00 0.00 C ATOM 0 H ALA A 445 8.126 10.155 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 445 9.683 8.368 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 445 7.452 7.640 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 445 7.623 9.411 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 445 6.695 8.643 -0.515 1.00 0.00 H new ATOM 1144 N MET A 446 7.774 7.103 -2.426 1.00 0.00 N ATOM 1145 CA MET A 446 7.626 5.957 -3.314 1.00 0.00 C ATOM 1146 C MET A 446 8.791 5.875 -4.294 1.00 0.00 C ATOM 1147 O MET A 446 9.119 4.801 -4.797 1.00 0.00 O ATOM 1148 CB MET A 446 6.303 6.039 -4.079 1.00 0.00 C ATOM 1149 CG MET A 446 6.300 7.085 -5.182 1.00 0.00 C ATOM 1150 SD MET A 446 4.716 7.933 -5.331 1.00 0.00 S ATOM 1151 CE MET A 446 3.800 6.761 -6.328 1.00 0.00 C ATOM 0 H MET A 446 7.046 7.810 -2.524 1.00 0.00 H new ATOM 0 HA MET A 446 7.625 5.055 -2.702 1.00 0.00 H new ATOM 0 HB2 MET A 446 6.084 5.064 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 446 5.500 6.262 -3.376 1.00 0.00 H new ATOM 0 HG2 MET A 446 7.083 7.818 -4.985 1.00 0.00 H new ATOM 0 HG3 MET A 446 6.543 6.607 -6.131 1.00 0.00 H new ATOM 0 HE1 MET A 446 2.795 7.143 -6.508 1.00 0.00 H new ATOM 0 HE2 MET A 446 4.309 6.617 -7.281 1.00 0.00 H new ATOM 0 HE3 MET A 446 3.737 5.808 -5.803 1.00 0.00 H new ATOM 1161 N GLN A 447 9.419 7.016 -4.558 1.00 0.00 N ATOM 1162 CA GLN A 447 10.548 7.072 -5.481 1.00 0.00 C ATOM 1163 C GLN A 447 11.774 6.372 -4.900 1.00 0.00 C ATOM 1164 O GLN A 447 12.836 6.347 -5.523 1.00 0.00 O ATOM 1165 CB GLN A 447 10.888 8.526 -5.815 1.00 0.00 C ATOM 1166 CG GLN A 447 11.648 8.688 -7.121 1.00 0.00 C ATOM 1167 CD GLN A 447 11.426 10.045 -7.758 1.00 0.00 C ATOM 1168 OE1 GLN A 447 10.434 10.262 -8.453 1.00 0.00 O ATOM 1169 NE2 GLN A 447 12.351 10.967 -7.522 1.00 0.00 N ATOM 0 H GLN A 447 9.166 7.914 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 447 10.259 6.551 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 447 9.965 9.103 -5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 447 11.482 8.947 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 447 12.713 8.546 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 447 11.338 7.909 -7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 447 13.158 10.743 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 447 12.255 11.900 -7.923 1.00 0.00 H new ATOM 1178 N GLY A 448 11.623 5.801 -3.708 1.00 0.00 N ATOM 1179 CA GLY A 448 12.731 5.113 -3.073 1.00 0.00 C ATOM 1180 C GLY A 448 12.349 3.748 -2.531 1.00 0.00 C ATOM 1181 O GLY A 448 13.206 2.877 -2.375 1.00 0.00 O ATOM 0 H GLY A 448 10.755 5.803 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 448 13.541 4.998 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 448 13.114 5.727 -2.258 1.00 0.00 H new ATOM 1185 N LEU A 449 11.064 3.557 -2.242 1.00 0.00 N ATOM 1186 CA LEU A 449 10.587 2.284 -1.711 1.00 0.00 C ATOM 1187 C LEU A 449 9.900 1.447 -2.789 1.00 0.00 C ATOM 1188 O LEU A 449 9.374 0.371 -2.507 1.00 0.00 O ATOM 1189 CB LEU A 449 9.632 2.517 -0.536 1.00 0.00 C ATOM 1190 CG LEU A 449 8.473 3.477 -0.811 1.00 0.00 C ATOM 1191 CD1 LEU A 449 7.268 2.721 -1.352 1.00 0.00 C ATOM 1192 CD2 LEU A 449 8.100 4.234 0.454 1.00 0.00 C ATOM 0 H LEU A 449 10.339 4.263 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 449 11.456 1.729 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 449 9.220 1.556 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 449 10.207 2.901 0.307 1.00 0.00 H new ATOM 0 HG LEU A 449 8.794 4.196 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 449 6.454 3.421 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 449 7.540 2.221 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 449 6.946 1.979 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 449 7.274 4.913 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 449 7.799 3.526 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 449 8.960 4.807 0.802 1.00 0.00 H new ATOM 1204 N THR A 450 9.905 1.946 -4.023 1.00 0.00 N ATOM 1205 CA THR A 450 9.285 1.234 -5.137 1.00 0.00 C ATOM 1206 C THR A 450 10.277 0.285 -5.803 1.00 0.00 C ATOM 1207 O THR A 450 11.438 0.634 -6.017 1.00 0.00 O ATOM 1208 CB THR A 450 8.731 2.211 -6.193 1.00 0.00 C ATOM 1209 OG1 THR A 450 7.602 2.914 -5.664 1.00 0.00 O ATOM 1210 CG2 THR A 450 8.320 1.476 -7.462 1.00 0.00 C ATOM 0 H THR A 450 10.330 2.838 -4.276 1.00 0.00 H new ATOM 0 HA THR A 450 8.458 0.657 -4.723 1.00 0.00 H new ATOM 0 HB THR A 450 9.522 2.918 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 450 7.906 3.572 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 450 7.933 2.191 -8.188 1.00 0.00 H new ATOM 0 HG22 THR A 450 9.186 0.964 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 450 7.546 0.746 -7.225 1.00 0.00 H new ATOM 1218 N GLY A 451 9.810 -0.918 -6.129 1.00 0.00 N ATOM 1219 CA GLY A 451 10.664 -1.899 -6.771 1.00 0.00 C ATOM 1220 C GLY A 451 11.484 -2.695 -5.776 1.00 0.00 C ATOM 1221 O GLY A 451 12.370 -3.458 -6.162 1.00 0.00 O ATOM 0 H GLY A 451 8.854 -1.230 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 451 10.050 -2.581 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 451 11.334 -1.393 -7.467 1.00 0.00 H new ATOM 1225 N ARG A 452 11.189 -2.516 -4.494 1.00 0.00 N ATOM 1226 CA ARG A 452 11.903 -3.224 -3.440 1.00 0.00 C ATOM 1227 C ARG A 452 11.214 -4.552 -3.119 1.00 0.00 C ATOM 1228 O ARG A 452 10.711 -5.226 -4.018 1.00 0.00 O ATOM 1229 CB ARG A 452 11.995 -2.347 -2.190 1.00 0.00 C ATOM 1230 CG ARG A 452 12.921 -1.152 -2.356 1.00 0.00 C ATOM 1231 CD ARG A 452 14.345 -1.491 -1.950 1.00 0.00 C ATOM 1232 NE ARG A 452 15.143 -1.958 -3.082 1.00 0.00 N ATOM 1233 CZ ARG A 452 16.470 -2.062 -3.054 1.00 0.00 C ATOM 1234 NH1 ARG A 452 17.141 -1.727 -1.960 1.00 0.00 N ATOM 1235 NH2 ARG A 452 17.125 -2.501 -4.120 1.00 0.00 N ATOM 0 H ARG A 452 10.460 -1.886 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 452 12.912 -3.444 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 452 10.998 -1.991 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 452 12.344 -2.954 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 452 12.907 -0.821 -3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 452 12.557 -0.321 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 452 14.816 -0.611 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 452 14.328 -2.260 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 452 14.657 -2.218 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 452 16.640 -1.389 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 452 18.158 -1.807 -1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 452 16.612 -2.760 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 452 18.142 -2.580 -4.097 1.00 0.00 H new ATOM 1249 N LYS A 453 11.193 -4.926 -1.841 1.00 0.00 N ATOM 1250 CA LYS A 453 10.569 -6.179 -1.427 1.00 0.00 C ATOM 1251 C LYS A 453 10.288 -6.185 0.075 1.00 0.00 C ATOM 1252 O LYS A 453 11.174 -5.903 0.882 1.00 0.00 O ATOM 1253 CB LYS A 453 11.474 -7.358 -1.791 1.00 0.00 C ATOM 1254 CG LYS A 453 10.727 -8.539 -2.390 1.00 0.00 C ATOM 1255 CD LYS A 453 11.626 -9.365 -3.296 1.00 0.00 C ATOM 1256 CE LYS A 453 10.988 -9.595 -4.657 1.00 0.00 C ATOM 1257 NZ LYS A 453 11.256 -10.965 -5.173 1.00 0.00 N ATOM 0 H LYS A 453 11.599 -4.382 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 453 9.619 -6.275 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 453 12.229 -7.020 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 453 12.002 -7.689 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 453 10.338 -9.169 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 453 9.869 -8.178 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 453 12.582 -8.857 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 453 11.835 -10.325 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 453 9.912 -9.439 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 453 11.369 -8.860 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 10.938 -11.032 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 12.276 -11.161 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 10.742 -11.660 -4.595 1.00 0.00 H new ATOM 1271 N PHE A 454 9.050 -6.508 0.445 1.00 0.00 N ATOM 1272 CA PHE A 454 8.663 -6.555 1.851 1.00 0.00 C ATOM 1273 C PHE A 454 9.372 -7.701 2.563 1.00 0.00 C ATOM 1274 O PHE A 454 9.732 -7.588 3.736 1.00 0.00 O ATOM 1275 CB PHE A 454 7.145 -6.717 1.985 1.00 0.00 C ATOM 1276 CG PHE A 454 6.646 -6.594 3.400 1.00 0.00 C ATOM 1277 CD1 PHE A 454 6.644 -5.368 4.047 1.00 0.00 C ATOM 1278 CD2 PHE A 454 6.177 -7.707 4.082 1.00 0.00 C ATOM 1279 CE1 PHE A 454 6.183 -5.254 5.345 1.00 0.00 C ATOM 1280 CE2 PHE A 454 5.717 -7.599 5.379 1.00 0.00 C ATOM 1281 CZ PHE A 454 5.720 -6.371 6.012 1.00 0.00 C ATOM 0 H PHE A 454 8.301 -6.740 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 454 8.959 -5.615 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 454 6.652 -5.965 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 454 6.856 -7.691 1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 454 7.007 -4.492 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 454 6.172 -8.670 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 454 6.185 -4.293 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 454 5.355 -8.474 5.899 1.00 0.00 H new ATOM 0 HZ PHE A 454 5.361 -6.285 7.027 1.00 0.00 H new ATOM 1291 N ALA A 455 9.570 -8.802 1.845 1.00 0.00 N ATOM 1292 CA ALA A 455 10.237 -9.971 2.402 1.00 0.00 C ATOM 1293 C ALA A 455 10.586 -10.977 1.311 1.00 0.00 C ATOM 1294 O ALA A 455 11.662 -11.577 1.327 1.00 0.00 O ATOM 1295 CB ALA A 455 9.362 -10.625 3.461 1.00 0.00 C ATOM 0 H ALA A 455 9.277 -8.908 0.874 1.00 0.00 H new ATOM 0 HA ALA A 455 11.166 -9.639 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 455 9.874 -11.497 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 455 9.166 -9.912 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 455 8.418 -10.935 3.013 1.00 0.00 H new ATOM 1301 N ASN A 456 9.671 -11.156 0.361 1.00 0.00 N ATOM 1302 CA ASN A 456 9.886 -12.095 -0.737 1.00 0.00 C ATOM 1303 C ASN A 456 9.088 -11.703 -1.981 1.00 0.00 C ATOM 1304 O ASN A 456 9.434 -12.095 -3.095 1.00 0.00 O ATOM 1305 CB ASN A 456 9.501 -13.511 -0.303 1.00 0.00 C ATOM 1306 CG ASN A 456 9.794 -14.544 -1.374 1.00 0.00 C ATOM 1307 OD1 ASN A 456 8.910 -14.928 -2.140 1.00 0.00 O ATOM 1308 ND2 ASN A 456 11.039 -15.000 -1.432 1.00 0.00 N ATOM 0 H ASN A 456 8.777 -10.665 0.329 1.00 0.00 H new ATOM 0 HA ASN A 456 10.945 -12.065 -0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 456 10.044 -13.770 0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 456 8.439 -13.537 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 456 11.295 -15.697 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 456 11.740 -14.654 -0.777 1.00 0.00 H new ATOM 1315 N ARG A 457 8.021 -10.929 -1.789 1.00 0.00 N ATOM 1316 CA ARG A 457 7.182 -10.499 -2.902 1.00 0.00 C ATOM 1317 C ARG A 457 7.482 -9.052 -3.279 1.00 0.00 C ATOM 1318 O ARG A 457 7.620 -8.189 -2.412 1.00 0.00 O ATOM 1319 CB ARG A 457 5.696 -10.652 -2.557 1.00 0.00 C ATOM 1320 CG ARG A 457 5.432 -11.038 -1.110 1.00 0.00 C ATOM 1321 CD ARG A 457 5.480 -9.826 -0.195 1.00 0.00 C ATOM 1322 NE ARG A 457 4.928 -10.113 1.128 1.00 0.00 N ATOM 1323 CZ ARG A 457 5.507 -10.920 2.012 1.00 0.00 C ATOM 1324 NH1 ARG A 457 6.650 -11.526 1.717 1.00 0.00 N ATOM 1325 NH2 ARG A 457 4.941 -11.124 3.194 1.00 0.00 N ATOM 0 H ARG A 457 7.719 -10.589 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 457 7.409 -11.138 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 457 5.186 -9.713 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 457 5.258 -11.408 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 457 4.456 -11.516 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 457 6.172 -11.770 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 457 6.512 -9.491 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 457 4.923 -9.007 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 457 4.048 -9.668 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 457 7.088 -11.374 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 457 7.090 -12.144 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 457 4.062 -10.662 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 457 5.385 -11.743 3.872 1.00 0.00 H new ATOM 1339 N VAL A 458 7.580 -8.798 -4.580 1.00 0.00 N ATOM 1340 CA VAL A 458 7.866 -7.460 -5.082 1.00 0.00 C ATOM 1341 C VAL A 458 6.806 -6.462 -4.622 1.00 0.00 C ATOM 1342 O VAL A 458 5.635 -6.810 -4.466 1.00 0.00 O ATOM 1343 CB VAL A 458 7.978 -7.457 -6.627 1.00 0.00 C ATOM 1344 CG1 VAL A 458 7.090 -6.394 -7.260 1.00 0.00 C ATOM 1345 CG2 VAL A 458 9.427 -7.266 -7.047 1.00 0.00 C ATOM 0 H VAL A 458 7.465 -9.504 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 458 8.827 -7.152 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 458 7.628 -8.424 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 458 7.199 -6.427 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 458 6.050 -6.583 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 458 7.384 -5.410 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 458 9.493 -7.266 -8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 458 9.796 -6.316 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 458 10.032 -8.080 -6.647 1.00 0.00 H new ATOM 1355 N VAL A 459 7.227 -5.220 -4.406 1.00 0.00 N ATOM 1356 CA VAL A 459 6.323 -4.171 -3.955 1.00 0.00 C ATOM 1357 C VAL A 459 5.863 -3.292 -5.113 1.00 0.00 C ATOM 1358 O VAL A 459 6.680 -2.753 -5.861 1.00 0.00 O ATOM 1359 CB VAL A 459 6.989 -3.283 -2.887 1.00 0.00 C ATOM 1360 CG1 VAL A 459 5.958 -2.397 -2.207 1.00 0.00 C ATOM 1361 CG2 VAL A 459 7.724 -4.136 -1.866 1.00 0.00 C ATOM 0 H VAL A 459 8.192 -4.916 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 459 5.456 -4.670 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 459 7.717 -2.639 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 459 6.449 -1.778 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 459 5.481 -1.757 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 459 5.203 -3.020 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 459 8.188 -3.491 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 459 7.018 -4.807 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 459 8.494 -4.722 -2.368 1.00 0.00 H new ATOM 1371 N VAL A 460 4.549 -3.155 -5.255 1.00 0.00 N ATOM 1372 CA VAL A 460 3.969 -2.336 -6.314 1.00 0.00 C ATOM 1373 C VAL A 460 3.262 -1.116 -5.727 1.00 0.00 C ATOM 1374 O VAL A 460 2.268 -1.247 -5.014 1.00 0.00 O ATOM 1375 CB VAL A 460 2.975 -3.145 -7.175 1.00 0.00 C ATOM 1376 CG1 VAL A 460 2.065 -3.980 -6.293 1.00 0.00 C ATOM 1377 CG2 VAL A 460 2.160 -2.224 -8.075 1.00 0.00 C ATOM 0 H VAL A 460 3.863 -3.603 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 460 4.788 -2.005 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 460 3.547 -3.818 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 460 1.371 -4.544 -6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 460 2.666 -4.672 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 460 1.504 -3.325 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 460 1.467 -2.818 -8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 460 1.599 -1.519 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 460 2.830 -1.675 -8.737 1.00 0.00 H new ATOM 1387 N THR A 461 3.783 0.069 -6.030 1.00 0.00 N ATOM 1388 CA THR A 461 3.205 1.308 -5.522 1.00 0.00 C ATOM 1389 C THR A 461 2.355 2.007 -6.577 1.00 0.00 C ATOM 1390 O THR A 461 2.509 1.769 -7.774 1.00 0.00 O ATOM 1391 CB THR A 461 4.297 2.281 -5.043 1.00 0.00 C ATOM 1392 OG1 THR A 461 5.032 2.783 -6.165 1.00 0.00 O ATOM 1393 CG2 THR A 461 5.248 1.594 -4.073 1.00 0.00 C ATOM 0 H THR A 461 4.603 0.197 -6.623 1.00 0.00 H new ATOM 0 HA THR A 461 2.572 1.029 -4.680 1.00 0.00 H new ATOM 0 HB THR A 461 3.813 3.109 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 461 5.968 2.502 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 461 6.011 2.302 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 461 4.690 1.239 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 461 5.725 0.748 -4.569 1.00 0.00 H new ATOM 1401 N LYS A 462 1.459 2.873 -6.114 1.00 0.00 N ATOM 1402 CA LYS A 462 0.575 3.624 -6.999 1.00 0.00 C ATOM 1403 C LYS A 462 -0.071 4.782 -6.242 1.00 0.00 C ATOM 1404 O LYS A 462 -0.664 4.585 -5.183 1.00 0.00 O ATOM 1405 CB LYS A 462 -0.507 2.708 -7.576 1.00 0.00 C ATOM 1406 CG LYS A 462 -0.243 2.283 -9.011 1.00 0.00 C ATOM 1407 CD LYS A 462 -0.909 3.225 -10.002 1.00 0.00 C ATOM 1408 CE LYS A 462 -0.256 3.146 -11.371 1.00 0.00 C ATOM 1409 NZ LYS A 462 -0.166 4.482 -12.022 1.00 0.00 N ATOM 0 H LYS A 462 1.326 3.073 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 462 1.168 4.026 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 462 -0.589 1.818 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 462 -1.468 3.220 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 462 0.831 2.261 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 462 -0.613 1.269 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 462 -1.967 2.976 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 462 -0.851 4.247 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 462 0.743 2.722 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 462 -0.827 2.470 -12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 0.285 4.384 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 -1.121 4.876 -12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 0.401 5.120 -11.428 1.00 0.00 H new ATOM 1423 N TYR A 463 0.047 5.989 -6.788 1.00 0.00 N ATOM 1424 CA TYR A 463 -0.525 7.171 -6.151 1.00 0.00 C ATOM 1425 C TYR A 463 -2.030 7.008 -5.950 1.00 0.00 C ATOM 1426 O TYR A 463 -2.676 6.222 -6.644 1.00 0.00 O ATOM 1427 CB TYR A 463 -0.239 8.422 -6.988 1.00 0.00 C ATOM 1428 CG TYR A 463 0.789 9.348 -6.371 1.00 0.00 C ATOM 1429 CD1 TYR A 463 0.717 9.704 -5.029 1.00 0.00 C ATOM 1430 CD2 TYR A 463 1.834 9.862 -7.130 1.00 0.00 C ATOM 1431 CE1 TYR A 463 1.653 10.546 -4.462 1.00 0.00 C ATOM 1432 CE2 TYR A 463 2.775 10.705 -6.569 1.00 0.00 C ATOM 1433 CZ TYR A 463 2.681 11.043 -5.235 1.00 0.00 C ATOM 1434 OH TYR A 463 3.615 11.882 -4.673 1.00 0.00 O ATOM 0 H TYR A 463 0.531 6.174 -7.666 1.00 0.00 H new ATOM 0 HA TYR A 463 -0.057 7.286 -5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 463 0.107 8.116 -7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 463 -1.169 8.972 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 463 -0.085 9.315 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.912 9.599 -8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.580 10.814 -3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 463 3.580 11.097 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 463 3.604 12.743 -5.140 1.00 0.00 H new ATOM 1444 N CYS A 464 -2.583 7.754 -4.996 1.00 0.00 N ATOM 1445 CA CYS A 464 -4.011 7.681 -4.705 1.00 0.00 C ATOM 1446 C CYS A 464 -4.548 9.018 -4.194 1.00 0.00 C ATOM 1447 O CYS A 464 -3.813 9.818 -3.605 1.00 0.00 O ATOM 1448 CB CYS A 464 -4.286 6.583 -3.678 1.00 0.00 C ATOM 1449 SG CYS A 464 -6.041 6.293 -3.356 1.00 0.00 S ATOM 0 H CYS A 464 -2.066 8.413 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 464 -4.527 7.443 -5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -3.833 5.654 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -3.795 6.846 -2.741 1.00 0.00 H new ATOM 0 HG CYS A 464 -6.581 7.379 -2.888 1.00 0.00 H new ATOM 1455 N ASP A 465 -5.839 9.247 -4.418 1.00 0.00 N ATOM 1456 CA ASP A 465 -6.487 10.481 -3.991 1.00 0.00 C ATOM 1457 C ASP A 465 -7.010 10.361 -2.559 1.00 0.00 C ATOM 1458 O ASP A 465 -7.608 9.348 -2.196 1.00 0.00 O ATOM 1459 CB ASP A 465 -7.637 10.830 -4.936 1.00 0.00 C ATOM 1460 CG ASP A 465 -7.367 12.088 -5.738 1.00 0.00 C ATOM 1461 OD1 ASP A 465 -7.468 13.192 -5.163 1.00 0.00 O ATOM 1462 OD2 ASP A 465 -7.052 11.968 -6.941 1.00 0.00 O ATOM 0 H ASP A 465 -6.458 8.591 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 465 -5.744 11.278 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -7.808 9.997 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -8.552 10.961 -4.358 1.00 0.00 H new ATOM 1467 N PRO A 466 -6.788 11.397 -1.724 1.00 0.00 N ATOM 1468 CA PRO A 466 -7.243 11.401 -0.331 1.00 0.00 C ATOM 1469 C PRO A 466 -8.738 11.130 -0.215 1.00 0.00 C ATOM 1470 O PRO A 466 -9.220 10.693 0.831 1.00 0.00 O ATOM 1471 CB PRO A 466 -6.918 12.818 0.167 1.00 0.00 C ATOM 1472 CG PRO A 466 -6.601 13.611 -1.052 1.00 0.00 C ATOM 1473 CD PRO A 466 -6.077 12.637 -2.061 1.00 0.00 C ATOM 0 HA PRO A 466 -6.758 10.617 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -7.763 13.248 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -6.074 12.807 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -7.489 14.120 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -5.861 14.381 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -6.289 12.959 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.997 12.517 -1.983 1.00 0.00 H new ATOM 1481 N ASP A 467 -9.467 11.397 -1.294 1.00 0.00 N ATOM 1482 CA ASP A 467 -10.909 11.180 -1.320 1.00 0.00 C ATOM 1483 C ASP A 467 -11.243 9.733 -0.976 1.00 0.00 C ATOM 1484 O ASP A 467 -11.871 9.458 0.047 1.00 0.00 O ATOM 1485 CB ASP A 467 -11.474 11.531 -2.697 1.00 0.00 C ATOM 1486 CG ASP A 467 -12.063 12.928 -2.743 1.00 0.00 C ATOM 1487 OD1 ASP A 467 -11.311 13.897 -2.504 1.00 0.00 O ATOM 1488 OD2 ASP A 467 -13.275 13.053 -3.017 1.00 0.00 O ATOM 0 H ASP A 467 -9.082 11.765 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 467 -11.364 11.830 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 467 -10.683 11.449 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 467 -12.243 10.807 -2.966 1.00 0.00 H new ATOM 1493 N SER A 468 -10.812 8.812 -1.837 1.00 0.00 N ATOM 1494 CA SER A 468 -11.062 7.389 -1.630 1.00 0.00 C ATOM 1495 C SER A 468 -10.666 6.965 -0.220 1.00 0.00 C ATOM 1496 O SER A 468 -11.380 6.201 0.428 1.00 0.00 O ATOM 1497 CB SER A 468 -10.294 6.560 -2.659 1.00 0.00 C ATOM 1498 OG SER A 468 -8.898 6.627 -2.429 1.00 0.00 O ATOM 0 H SER A 468 -10.288 9.028 -2.685 1.00 0.00 H new ATOM 0 HA SER A 468 -12.130 7.212 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 468 -10.624 5.522 -2.613 1.00 0.00 H new ATOM 0 HB3 SER A 468 -10.518 6.922 -3.662 1.00 0.00 H new ATOM 0 HG SER A 468 -8.420 6.474 -3.271 1.00 0.00 H new ATOM 1504 N TYR A 469 -9.521 7.461 0.244 1.00 0.00 N ATOM 1505 CA TYR A 469 -9.035 7.149 1.579 1.00 0.00 C ATOM 1506 C TYR A 469 -10.106 7.438 2.624 1.00 0.00 C ATOM 1507 O TYR A 469 -10.427 6.586 3.454 1.00 0.00 O ATOM 1508 CB TYR A 469 -7.786 7.978 1.880 1.00 0.00 C ATOM 1509 CG TYR A 469 -6.924 7.408 2.981 1.00 0.00 C ATOM 1510 CD1 TYR A 469 -7.444 7.167 4.246 1.00 0.00 C ATOM 1511 CD2 TYR A 469 -5.589 7.111 2.754 1.00 0.00 C ATOM 1512 CE1 TYR A 469 -6.658 6.647 5.253 1.00 0.00 C ATOM 1513 CE2 TYR A 469 -4.795 6.591 3.756 1.00 0.00 C ATOM 1514 CZ TYR A 469 -5.333 6.359 5.004 1.00 0.00 C ATOM 1515 OH TYR A 469 -4.545 5.840 6.005 1.00 0.00 O ATOM 0 H TYR A 469 -8.913 8.082 -0.290 1.00 0.00 H new ATOM 0 HA TYR A 469 -8.788 6.088 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 469 -7.190 8.061 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 469 -8.090 8.988 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 469 -8.482 7.391 4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 469 -5.164 7.289 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 469 -7.078 6.466 6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 469 -3.756 6.367 3.563 1.00 0.00 H new ATOM 0 HH TYR A 469 -4.442 6.504 6.718 1.00 0.00 H new ATOM 1525 N HIS A 470 -10.645 8.649 2.579 1.00 0.00 N ATOM 1526 CA HIS A 470 -11.677 9.067 3.521 1.00 0.00 C ATOM 1527 C HIS A 470 -12.880 8.129 3.479 1.00 0.00 C ATOM 1528 O HIS A 470 -13.532 7.899 4.497 1.00 0.00 O ATOM 1529 CB HIS A 470 -12.119 10.502 3.219 1.00 0.00 C ATOM 1530 CG HIS A 470 -11.151 11.543 3.695 1.00 0.00 C ATOM 1531 ND1 HIS A 470 -11.463 12.885 3.760 1.00 0.00 N ATOM 1532 CD2 HIS A 470 -9.872 11.435 4.131 1.00 0.00 C ATOM 1533 CE1 HIS A 470 -10.419 13.557 4.212 1.00 0.00 C ATOM 1534 NE2 HIS A 470 -9.441 12.701 4.446 1.00 0.00 N ATOM 0 H HIS A 470 -10.384 9.362 1.898 1.00 0.00 H new ATOM 0 HA HIS A 470 -11.252 9.026 4.524 1.00 0.00 H new ATOM 0 HB2 HIS A 470 -12.257 10.612 2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 470 -13.088 10.680 3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 470 -9.299 10.524 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 470 -10.373 14.625 4.364 1.00 0.00 H new ATOM 0 HE2 HIS A 470 -8.516 12.941 4.803 1.00 0.00 H new ATOM 1543 N ARG A 471 -13.172 7.589 2.298 1.00 0.00 N ATOM 1544 CA ARG A 471 -14.300 6.676 2.135 1.00 0.00 C ATOM 1545 C ARG A 471 -13.901 5.239 2.462 1.00 0.00 C ATOM 1546 O ARG A 471 -14.759 4.365 2.586 1.00 0.00 O ATOM 1547 CB ARG A 471 -14.845 6.744 0.705 1.00 0.00 C ATOM 1548 CG ARG A 471 -14.697 8.097 0.042 1.00 0.00 C ATOM 1549 CD ARG A 471 -15.387 9.186 0.839 1.00 0.00 C ATOM 1550 NE ARG A 471 -16.328 9.950 0.023 1.00 0.00 N ATOM 1551 CZ ARG A 471 -17.126 10.899 0.508 1.00 0.00 C ATOM 1552 NH1 ARG A 471 -17.095 11.203 1.799 1.00 0.00 N ATOM 1553 NH2 ARG A 471 -17.954 11.545 -0.302 1.00 0.00 N ATOM 0 H ARG A 471 -12.645 7.767 1.443 1.00 0.00 H new ATOM 0 HA ARG A 471 -15.078 6.988 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -14.332 5.998 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -15.901 6.473 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.639 8.337 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -15.117 8.059 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -15.917 8.739 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -14.638 9.860 1.256 1.00 0.00 H new ATOM 0 HE ARG A 471 -16.376 9.745 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -16.458 10.709 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -17.708 11.931 2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -17.979 11.315 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -18.566 12.272 0.068 1.00 0.00 H new ATOM 1567 N ARG A 472 -12.598 5.001 2.601 1.00 0.00 N ATOM 1568 CA ARG A 472 -12.087 3.668 2.902 1.00 0.00 C ATOM 1569 C ARG A 472 -12.569 2.655 1.866 1.00 0.00 C ATOM 1570 O ARG A 472 -12.652 1.459 2.143 1.00 0.00 O ATOM 1571 CB ARG A 472 -12.519 3.233 4.304 1.00 0.00 C ATOM 1572 CG ARG A 472 -12.111 4.209 5.394 1.00 0.00 C ATOM 1573 CD ARG A 472 -10.989 3.648 6.251 1.00 0.00 C ATOM 1574 NE ARG A 472 -11.494 2.983 7.449 1.00 0.00 N ATOM 1575 CZ ARG A 472 -11.041 3.226 8.675 1.00 0.00 C ATOM 1576 NH1 ARG A 472 -10.069 4.108 8.865 1.00 0.00 N ATOM 1577 NH2 ARG A 472 -11.561 2.586 9.713 1.00 0.00 N ATOM 0 H ARG A 472 -11.877 5.717 2.509 1.00 0.00 H new ATOM 0 HA ARG A 472 -10.998 3.707 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 472 -13.602 3.114 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 472 -12.087 2.256 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 472 -11.791 5.148 4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 472 -12.972 4.435 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 472 -10.403 2.941 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 472 -10.316 4.455 6.541 1.00 0.00 H new ATOM 0 HE ARG A 472 -12.237 2.293 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 472 -9.666 4.603 8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 472 -9.724 4.292 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 472 -12.309 1.907 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 472 -11.213 2.773 10.654 1.00 0.00 H new ATOM 1591 N ASP A 473 -12.886 3.147 0.671 1.00 0.00 N ATOM 1592 CA ASP A 473 -13.358 2.291 -0.410 1.00 0.00 C ATOM 1593 C ASP A 473 -12.195 1.552 -1.061 1.00 0.00 C ATOM 1594 O ASP A 473 -12.397 0.691 -1.919 1.00 0.00 O ATOM 1595 CB ASP A 473 -14.102 3.122 -1.459 1.00 0.00 C ATOM 1596 CG ASP A 473 -15.599 2.882 -1.429 1.00 0.00 C ATOM 1597 OD1 ASP A 473 -16.178 2.876 -0.323 1.00 0.00 O ATOM 1598 OD2 ASP A 473 -16.193 2.703 -2.513 1.00 0.00 O ATOM 0 H ASP A 473 -12.824 4.136 0.428 1.00 0.00 H new ATOM 0 HA ASP A 473 -14.043 1.556 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -13.903 4.180 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -13.718 2.880 -2.450 1.00 0.00 H new ATOM 1823 N TRP B 22 12.573 -3.683 2.820 1.00 0.00 N ATOM 1824 CA TRP B 22 12.738 -3.253 1.436 1.00 0.00 C ATOM 1825 C TRP B 22 14.004 -3.849 0.826 1.00 0.00 C ATOM 1826 O TRP B 22 15.039 -3.187 0.741 1.00 0.00 O ATOM 1827 CB TRP B 22 12.782 -1.725 1.355 1.00 0.00 C ATOM 1828 CG TRP B 22 11.638 -1.063 2.060 1.00 0.00 C ATOM 1829 CD1 TRP B 22 11.652 -0.524 3.314 1.00 0.00 C ATOM 1830 CD2 TRP B 22 10.309 -0.879 1.559 1.00 0.00 C ATOM 1831 NE1 TRP B 22 10.414 -0.016 3.622 1.00 0.00 N ATOM 1832 CE2 TRP B 22 9.573 -0.219 2.560 1.00 0.00 C ATOM 1833 CE3 TRP B 22 9.671 -1.205 0.359 1.00 0.00 C ATOM 1834 CZ2 TRP B 22 8.231 0.119 2.397 1.00 0.00 C ATOM 1835 CZ3 TRP B 22 8.339 -0.869 0.199 1.00 0.00 C ATOM 1836 CH2 TRP B 22 7.632 -0.212 1.213 1.00 0.00 C ATOM 0 HA TRP B 22 11.882 -3.613 0.866 1.00 0.00 H new ATOM 0 HB2 TRP B 22 13.719 -1.372 1.786 1.00 0.00 H new ATOM 0 HB3 TRP B 22 12.779 -1.423 0.308 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.511 -0.501 3.968 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.162 0.439 4.499 1.00 0.00 H new ATOM 0 HE3 TRP B 22 10.209 -1.710 -0.430 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.683 0.625 3.178 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.836 -1.118 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.593 0.038 1.057 1.00 0.00 H new ATOM 1847 N ASN B 23 13.910 -5.106 0.406 1.00 0.00 N ATOM 1848 CA ASN B 23 15.039 -5.801 -0.200 1.00 0.00 C ATOM 1849 C ASN B 23 14.772 -6.069 -1.679 1.00 0.00 C ATOM 1850 O ASN B 23 13.838 -5.514 -2.256 1.00 0.00 O ATOM 1851 CB ASN B 23 15.303 -7.117 0.534 1.00 0.00 C ATOM 1852 CG ASN B 23 16.692 -7.173 1.140 1.00 0.00 C ATOM 1853 OD1 ASN B 23 17.694 -7.024 0.439 1.00 0.00 O ATOM 1854 ND2 ASN B 23 16.759 -7.390 2.448 1.00 0.00 N ATOM 0 H ASN B 23 13.060 -5.666 0.475 1.00 0.00 H new ATOM 0 HA ASN B 23 15.921 -5.166 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN B 23 14.561 -7.246 1.322 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.179 -7.948 -0.160 1.00 0.00 H new ATOM 0 HD21 ASN B 23 17.667 -7.439 2.911 1.00 0.00 H new ATOM 0 HD22 ASN B 23 15.903 -7.508 2.990 1.00 0.00 H new