USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 473 THR OG1 : rot 123:sc= 0.287 USER MOD Set 1.2: A 479 TYR OH : rot 180:sc= 0.625 USER MOD Set 2.1: A 424 LYS NZ :NH3+ -126:sc= 0.0978 (180deg=0) USER MOD Set 2.2: A 427 GLN : amide:sc= -3.22 X(o=-3.1,f=-3.1!) USER MOD Set 3.1: A 421 LYS NZ :NH3+ -168:sc= 1.12 (180deg=0) USER MOD Set 3.2: A 439 THR OG1 : rot -50:sc= 1.11 USER MOD Single : A 413 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 416 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -155:sc= -0.0348 (180deg=-0.72) USER MOD Single : A 430 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= -0.215 USER MOD Single : A 435 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.068) USER MOD Single : A 437 LYS NZ :NH3+ 145:sc= -0.865 (180deg=-2.4!) USER MOD Single : A 443 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0982) USER MOD Single : A 445 MET CE :methyl -119:sc= -1.56! (180deg=-3.13!) USER MOD Single : A 446 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.64) USER MOD Single : A 447 HIS : no HD1:sc= -16.1! C(o=-16!,f=-13!) USER MOD Single : A 449 LYS NZ :NH3+ 166:sc= -0.0176 (180deg=-0.2) USER MOD Single : A 450 ASN : amide:sc= -1.78! X(o=-1.8!,f=-1.6) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -170:sc= -1.12 (180deg=-1.67) USER MOD Single : A 462 THR OG1 : rot -170:sc= -2.12 USER MOD Single : A 466 CYS SG : rot -104:sc= 0.533 USER MOD Single : A 469 TYR OH : rot -99:sc= -4.28! USER MOD Single : A 470 TYR OH : rot 100:sc= -2.87 USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 ASN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 478 ASN : amide:sc=-0.00311 X(o=-0.0031,f=-0.32) USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 413 8.155 12.552 21.524 1.00 10.00 N ATOM 2 CA ASN A 413 7.618 11.339 20.916 1.00 10.00 C ATOM 3 C ASN A 413 6.123 11.480 20.652 1.00 10.00 C ATOM 4 O ASN A 413 5.441 12.278 21.293 1.00 10.00 O ATOM 5 CB ASN A 413 7.877 10.134 21.821 1.00 10.00 C ATOM 6 CG ASN A 413 9.330 10.029 22.243 1.00 10.00 C ATOM 7 OD1 ASN A 413 10.232 10.435 21.512 1.00 10.00 O ATOM 8 ND2 ASN A 413 9.562 9.480 23.431 1.00 10.00 N ATOM 0 HA ASN A 413 8.124 11.184 19.963 1.00 10.00 H new ATOM 0 HB2 ASN A 413 7.248 10.208 22.708 1.00 10.00 H new ATOM 0 HB3 ASN A 413 7.586 9.222 21.299 1.00 10.00 H new ATOM 0 HD21 ASN A 413 10.519 9.382 23.769 1.00 10.00 H new ATOM 0 HD22 ASN A 413 8.783 9.157 24.004 1.00 10.00 H new ATOM 15 N GLY A 414 5.619 10.698 19.702 1.00 10.00 N ATOM 16 CA GLY A 414 4.208 10.750 19.369 1.00 10.00 C ATOM 17 C GLY A 414 3.881 9.981 18.105 1.00 10.00 C ATOM 18 O GLY A 414 3.084 10.434 17.283 1.00 10.00 O ATOM 0 H GLY A 414 6.163 10.029 19.157 1.00 10.00 H new ATOM 0 HA2 GLY A 414 3.627 10.344 20.198 1.00 10.00 H new ATOM 0 HA3 GLY A 414 3.905 11.790 19.246 1.00 10.00 H new ATOM 22 N LEU A 415 4.497 8.815 17.948 1.00 10.00 N ATOM 23 CA LEU A 415 4.268 7.981 16.774 1.00 10.00 C ATOM 24 C LEU A 415 4.504 6.508 17.098 1.00 10.00 C ATOM 25 O LEU A 415 5.606 5.992 16.918 1.00 10.00 O ATOM 26 CB LEU A 415 5.182 8.415 15.627 1.00 10.00 C ATOM 27 CG LEU A 415 4.917 9.819 15.083 1.00 10.00 C ATOM 28 CD1 LEU A 415 5.722 10.852 15.855 1.00 10.00 C ATOM 29 CD2 LEU A 415 5.244 9.886 13.599 1.00 10.00 C ATOM 0 H LEU A 415 5.159 8.426 18.619 1.00 10.00 H new ATOM 0 HA LEU A 415 3.229 8.106 16.468 1.00 10.00 H new ATOM 0 HB2 LEU A 415 6.216 8.363 15.967 1.00 10.00 H new ATOM 0 HB3 LEU A 415 5.079 7.700 14.811 1.00 10.00 H new ATOM 0 HG LEU A 415 3.858 10.044 15.212 1.00 10.00 H new ATOM 0 HD11 LEU A 415 5.520 11.845 15.453 1.00 10.00 H new ATOM 0 HD12 LEU A 415 5.439 10.822 16.907 1.00 10.00 H new ATOM 0 HD13 LEU A 415 6.785 10.631 15.759 1.00 10.00 H new ATOM 0 HD21 LEU A 415 5.049 10.893 13.229 1.00 10.00 H new ATOM 0 HD22 LEU A 415 6.295 9.640 13.447 1.00 10.00 H new ATOM 0 HD23 LEU A 415 4.622 9.173 13.057 1.00 10.00 H new ATOM 41 N MET A 416 3.461 5.839 17.577 1.00 10.00 N ATOM 42 CA MET A 416 3.554 4.427 17.927 1.00 10.00 C ATOM 43 C MET A 416 3.454 3.550 16.682 1.00 10.00 C ATOM 44 O MET A 416 2.446 3.569 15.977 1.00 10.00 O ATOM 45 CB MET A 416 2.452 4.051 18.919 1.00 10.00 C ATOM 46 CG MET A 416 1.064 4.495 18.484 1.00 10.00 C ATOM 47 SD MET A 416 0.511 5.984 19.338 1.00 10.00 S ATOM 48 CE MET A 416 -1.263 5.740 19.327 1.00 10.00 C ATOM 0 H MET A 416 2.541 6.252 17.732 1.00 10.00 H new ATOM 0 HA MET A 416 4.525 4.258 18.392 1.00 10.00 H new ATOM 0 HB2 MET A 416 2.452 2.970 19.057 1.00 10.00 H new ATOM 0 HB3 MET A 416 2.680 4.496 19.888 1.00 10.00 H new ATOM 0 HG2 MET A 416 1.065 4.677 17.409 1.00 10.00 H new ATOM 0 HG3 MET A 416 0.354 3.689 18.670 1.00 10.00 H new ATOM 0 HE1 MET A 416 -1.749 6.581 19.821 1.00 10.00 H new ATOM 0 HE2 MET A 416 -1.615 5.672 18.297 1.00 10.00 H new ATOM 0 HE3 MET A 416 -1.507 4.818 19.855 1.00 10.00 H new ATOM 58 N ALA A 417 4.508 2.784 16.419 1.00 10.00 N ATOM 59 CA ALA A 417 4.538 1.900 15.260 1.00 10.00 C ATOM 60 C ALA A 417 3.841 0.578 15.558 1.00 10.00 C ATOM 61 O ALA A 417 3.685 0.195 16.717 1.00 10.00 O ATOM 62 CB ALA A 417 5.975 1.654 14.823 1.00 10.00 C ATOM 0 H ALA A 417 5.351 2.758 16.992 1.00 10.00 H new ATOM 0 HA ALA A 417 4.000 2.388 14.448 1.00 10.00 H new ATOM 0 HB1 ALA A 417 5.984 0.992 13.957 1.00 10.00 H new ATOM 0 HB2 ALA A 417 6.443 2.603 14.560 1.00 10.00 H new ATOM 0 HB3 ALA A 417 6.529 1.190 15.639 1.00 10.00 H new ATOM 68 N ASP A 418 3.421 -0.114 14.505 1.00 10.00 N ATOM 69 CA ASP A 418 2.739 -1.395 14.654 1.00 10.00 C ATOM 70 C ASP A 418 2.475 -2.033 13.292 1.00 10.00 C ATOM 71 O ASP A 418 1.410 -1.841 12.704 1.00 10.00 O ATOM 72 CB ASP A 418 1.420 -1.208 15.407 1.00 10.00 C ATOM 73 CG ASP A 418 0.553 -0.124 14.798 1.00 10.00 C ATOM 74 OD1 ASP A 418 0.897 1.067 14.950 1.00 10.00 O ATOM 75 OD2 ASP A 418 -0.469 -0.466 14.166 1.00 10.00 O ATOM 0 H ASP A 418 3.541 0.190 13.539 1.00 10.00 H new ATOM 0 HA ASP A 418 3.386 -2.059 15.227 1.00 10.00 H new ATOM 0 HB2 ASP A 418 0.870 -2.149 15.410 1.00 10.00 H new ATOM 0 HB3 ASP A 418 1.631 -0.959 16.447 1.00 10.00 H new ATOM 80 N PRO A 419 3.445 -2.804 12.772 1.00 10.00 N ATOM 81 CA PRO A 419 3.311 -3.472 11.473 1.00 10.00 C ATOM 82 C PRO A 419 2.286 -4.601 11.505 1.00 10.00 C ATOM 83 O PRO A 419 2.535 -5.663 12.079 1.00 10.00 O ATOM 84 CB PRO A 419 4.713 -4.029 11.213 1.00 10.00 C ATOM 85 CG PRO A 419 5.312 -4.195 12.565 1.00 10.00 C ATOM 86 CD PRO A 419 4.746 -3.086 13.408 1.00 10.00 C ATOM 0 HA PRO A 419 2.959 -2.790 10.699 1.00 10.00 H new ATOM 0 HB2 PRO A 419 4.669 -4.979 10.680 1.00 10.00 H new ATOM 0 HB3 PRO A 419 5.302 -3.347 10.600 1.00 10.00 H new ATOM 0 HG2 PRO A 419 5.064 -5.170 12.985 1.00 10.00 H new ATOM 0 HG3 PRO A 419 6.399 -4.135 12.520 1.00 10.00 H new ATOM 0 HD2 PRO A 419 4.627 -3.392 14.447 1.00 10.00 H new ATOM 0 HD3 PRO A 419 5.393 -2.209 13.406 1.00 10.00 H new ATOM 94 N MET A 420 1.134 -4.366 10.887 1.00 10.00 N ATOM 95 CA MET A 420 0.072 -5.361 10.843 1.00 10.00 C ATOM 96 C MET A 420 -0.383 -5.596 9.412 1.00 10.00 C ATOM 97 O MET A 420 0.085 -6.521 8.757 1.00 10.00 O ATOM 98 CB MET A 420 -1.107 -4.911 11.707 1.00 10.00 C ATOM 99 CG MET A 420 -2.266 -5.895 11.722 1.00 10.00 C ATOM 100 SD MET A 420 -2.272 -6.940 13.192 1.00 10.00 S ATOM 101 CE MET A 420 -2.920 -8.468 12.519 1.00 10.00 C ATOM 0 H MET A 420 0.913 -3.493 10.409 1.00 10.00 H new ATOM 0 HA MET A 420 0.461 -6.300 11.238 1.00 10.00 H new ATOM 0 HB2 MET A 420 -0.759 -4.758 12.729 1.00 10.00 H new ATOM 0 HB3 MET A 420 -1.465 -3.948 11.344 1.00 10.00 H new ATOM 0 HG2 MET A 420 -3.205 -5.345 11.669 1.00 10.00 H new ATOM 0 HG3 MET A 420 -2.214 -6.525 10.834 1.00 10.00 H new ATOM 0 HE1 MET A 420 -2.983 -9.216 13.310 1.00 10.00 H new ATOM 0 HE2 MET A 420 -3.913 -8.291 12.106 1.00 10.00 H new ATOM 0 HE3 MET A 420 -2.258 -8.828 11.731 1.00 10.00 H new ATOM 111 N LYS A 421 -1.287 -4.756 8.923 1.00 10.00 N ATOM 112 CA LYS A 421 -1.788 -4.889 7.561 1.00 10.00 C ATOM 113 C LYS A 421 -0.637 -5.050 6.578 1.00 10.00 C ATOM 114 O LYS A 421 0.000 -4.072 6.188 1.00 10.00 O ATOM 115 CB LYS A 421 -2.637 -3.684 7.178 1.00 10.00 C ATOM 116 CG LYS A 421 -3.123 -3.737 5.739 1.00 10.00 C ATOM 117 CD LYS A 421 -4.464 -4.438 5.605 1.00 10.00 C ATOM 118 CE LYS A 421 -5.508 -3.874 6.560 1.00 10.00 C ATOM 119 NZ LYS A 421 -6.804 -3.614 5.874 1.00 10.00 N ATOM 0 H LYS A 421 -1.687 -3.978 9.447 1.00 10.00 H new ATOM 0 HA LYS A 421 -2.412 -5.782 7.518 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.497 -3.625 7.845 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -2.056 -2.774 7.327 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.206 -2.723 5.349 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -2.383 -4.254 5.128 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.822 -4.340 4.580 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -4.336 -5.503 5.798 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -5.665 -4.574 7.381 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -5.137 -2.948 6.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -7.418 -3.049 6.495 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.631 -3.093 4.991 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -7.270 -4.518 5.657 1.00 10.00 H new ATOM 133 N VAL A 422 -0.378 -6.293 6.190 1.00 10.00 N ATOM 134 CA VAL A 422 0.700 -6.595 5.262 1.00 10.00 C ATOM 135 C VAL A 422 0.794 -8.101 5.024 1.00 10.00 C ATOM 136 O VAL A 422 0.887 -8.565 3.890 1.00 10.00 O ATOM 137 CB VAL A 422 2.034 -6.045 5.801 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.623 -6.946 6.879 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.027 -5.836 4.670 1.00 10.00 C ATOM 0 H VAL A 422 -0.903 -7.109 6.506 1.00 10.00 H new ATOM 0 HA VAL A 422 0.487 -6.112 4.308 1.00 10.00 H new ATOM 0 HB VAL A 422 1.827 -5.079 6.262 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.563 -6.523 7.233 1.00 10.00 H new ATOM 0 HG12 VAL A 422 1.923 -7.023 7.711 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.804 -7.938 6.465 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.962 -5.447 5.074 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.215 -6.786 4.171 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.618 -5.124 3.953 1.00 10.00 H new ATOM 149 N TYR A 423 0.743 -8.843 6.121 1.00 10.00 N ATOM 150 CA TYR A 423 0.783 -10.303 6.115 1.00 10.00 C ATOM 151 C TYR A 423 0.008 -10.879 4.929 1.00 10.00 C ATOM 152 O TYR A 423 0.370 -11.923 4.388 1.00 10.00 O ATOM 153 CB TYR A 423 0.176 -10.818 7.428 1.00 10.00 C ATOM 154 CG TYR A 423 -1.148 -10.161 7.759 1.00 10.00 C ATOM 155 CD1 TYR A 423 -1.203 -8.806 8.027 1.00 10.00 C ATOM 156 CD2 TYR A 423 -2.335 -10.881 7.790 1.00 10.00 C ATOM 157 CE1 TYR A 423 -2.380 -8.174 8.313 1.00 10.00 C ATOM 158 CE2 TYR A 423 -3.536 -10.254 8.079 1.00 10.00 C ATOM 159 CZ TYR A 423 -3.553 -8.897 8.338 1.00 10.00 C ATOM 160 OH TYR A 423 -4.743 -8.268 8.627 1.00 10.00 O ATOM 0 H TYR A 423 0.671 -8.443 7.057 1.00 10.00 H new ATOM 0 HA TYR A 423 1.820 -10.624 6.022 1.00 10.00 H new ATOM 0 HB2 TYR A 423 0.034 -11.897 7.359 1.00 10.00 H new ATOM 0 HB3 TYR A 423 0.878 -10.640 8.242 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -0.289 -8.230 8.010 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -2.322 -11.942 7.587 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.391 -7.114 8.518 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -4.454 -10.823 8.102 1.00 10.00 H new ATOM 0 HH TYR A 423 -5.473 -8.921 8.602 1.00 10.00 H new ATOM 170 N LYS A 424 -1.057 -10.188 4.532 1.00 10.00 N ATOM 171 CA LYS A 424 -1.878 -10.632 3.410 1.00 10.00 C ATOM 172 C LYS A 424 -1.602 -9.793 2.165 1.00 10.00 C ATOM 173 O LYS A 424 -1.844 -10.233 1.042 1.00 10.00 O ATOM 174 CB LYS A 424 -3.361 -10.551 3.775 1.00 10.00 C ATOM 175 CG LYS A 424 -4.202 -11.656 3.156 1.00 10.00 C ATOM 176 CD LYS A 424 -4.847 -11.203 1.856 1.00 10.00 C ATOM 177 CE LYS A 424 -5.334 -12.386 1.035 1.00 10.00 C ATOM 178 NZ LYS A 424 -5.303 -12.098 -0.426 1.00 10.00 N ATOM 0 H LYS A 424 -1.371 -9.321 4.969 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.619 -11.668 3.191 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.462 -10.593 4.859 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.753 -9.585 3.455 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.577 -12.529 2.968 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -4.976 -11.963 3.860 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.685 -10.541 2.075 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -4.129 -10.626 1.274 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -4.712 -13.256 1.247 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -6.351 -12.641 1.333 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -6.241 -12.281 -0.836 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -5.047 -11.102 -0.578 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -4.599 -12.710 -0.886 1.00 10.00 H new ATOM 192 N ASP A 425 -1.098 -8.581 2.374 1.00 10.00 N ATOM 193 CA ASP A 425 -0.792 -7.679 1.271 1.00 10.00 C ATOM 194 C ASP A 425 0.426 -8.149 0.476 1.00 10.00 C ATOM 195 O ASP A 425 0.686 -7.650 -0.618 1.00 10.00 O ATOM 196 CB ASP A 425 -0.548 -6.263 1.795 1.00 10.00 C ATOM 197 CG ASP A 425 -1.671 -5.771 2.688 1.00 10.00 C ATOM 198 OD1 ASP A 425 -2.600 -6.557 2.965 1.00 10.00 O ATOM 199 OD2 ASP A 425 -1.619 -4.597 3.111 1.00 10.00 O ATOM 0 H ASP A 425 -0.893 -8.201 3.298 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.653 -7.678 0.603 1.00 10.00 H new ATOM 0 HB2 ASP A 425 0.389 -6.242 2.351 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -0.434 -5.582 0.952 1.00 10.00 H new ATOM 204 N ARG A 426 1.173 -9.107 1.022 1.00 10.00 N ATOM 205 CA ARG A 426 2.360 -9.624 0.341 1.00 10.00 C ATOM 206 C ARG A 426 2.031 -10.028 -1.093 1.00 10.00 C ATOM 207 O ARG A 426 2.896 -10.009 -1.967 1.00 10.00 O ATOM 208 CB ARG A 426 2.944 -10.814 1.109 1.00 10.00 C ATOM 209 CG ARG A 426 4.405 -10.634 1.488 1.00 10.00 C ATOM 210 CD ARG A 426 5.305 -11.623 0.761 1.00 10.00 C ATOM 211 NE ARG A 426 6.010 -12.505 1.689 1.00 10.00 N ATOM 212 CZ ARG A 426 5.446 -13.548 2.293 1.00 10.00 C ATOM 213 NH1 ARG A 426 4.171 -13.843 2.072 1.00 10.00 N ATOM 214 NH2 ARG A 426 6.159 -14.298 3.122 1.00 10.00 N ATOM 0 H ARG A 426 0.980 -9.538 1.926 1.00 10.00 H new ATOM 0 HA ARG A 426 3.106 -8.830 0.310 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.359 -10.974 2.015 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.843 -11.713 0.501 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.719 -9.617 1.253 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.519 -10.762 2.564 1.00 10.00 H new ATOM 0 HD2 ARG A 426 4.706 -12.222 0.075 1.00 10.00 H new ATOM 0 HD3 ARG A 426 6.030 -11.077 0.157 1.00 10.00 H new ATOM 0 HE ARG A 426 6.992 -12.310 1.885 1.00 10.00 H new ATOM 0 HH11 ARG A 426 3.618 -13.269 1.436 1.00 10.00 H new ATOM 0 HH12 ARG A 426 3.745 -14.644 2.538 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.139 -14.075 3.296 1.00 10.00 H new ATOM 0 HH22 ARG A 426 5.727 -15.098 3.585 1.00 10.00 H new ATOM 228 N GLN A 427 0.769 -10.372 -1.330 1.00 10.00 N ATOM 229 CA GLN A 427 0.321 -10.753 -2.663 1.00 10.00 C ATOM 230 C GLN A 427 -0.316 -9.557 -3.356 1.00 10.00 C ATOM 231 O GLN A 427 -1.232 -9.700 -4.165 1.00 10.00 O ATOM 232 CB GLN A 427 -0.672 -11.916 -2.583 1.00 10.00 C ATOM 233 CG GLN A 427 -0.301 -12.967 -1.546 1.00 10.00 C ATOM 234 CD GLN A 427 -0.785 -12.614 -0.153 1.00 10.00 C ATOM 235 OE1 GLN A 427 -1.988 -12.516 0.093 1.00 10.00 O ATOM 236 NE2 GLN A 427 0.152 -12.421 0.771 1.00 10.00 N ATOM 0 H GLN A 427 0.040 -10.394 -0.617 1.00 10.00 H new ATOM 0 HA GLN A 427 1.183 -11.080 -3.244 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.661 -11.522 -2.350 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.740 -12.392 -3.561 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -0.725 -13.927 -1.841 1.00 10.00 H new ATOM 0 HG3 GLN A 427 0.782 -13.088 -1.530 1.00 10.00 H new ATOM 0 HE21 GLN A 427 1.138 -12.512 0.525 1.00 10.00 H new ATOM 0 HE22 GLN A 427 -0.115 -12.182 1.726 1.00 10.00 H new ATOM 245 N VAL A 428 0.192 -8.377 -3.025 1.00 10.00 N ATOM 246 CA VAL A 428 -0.295 -7.133 -3.599 1.00 10.00 C ATOM 247 C VAL A 428 0.764 -6.509 -4.488 1.00 10.00 C ATOM 248 O VAL A 428 0.447 -5.871 -5.493 1.00 10.00 O ATOM 249 CB VAL A 428 -0.694 -6.128 -2.506 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.142 -4.809 -3.116 1.00 10.00 C ATOM 251 CG2 VAL A 428 -1.783 -6.708 -1.624 1.00 10.00 C ATOM 0 H VAL A 428 0.950 -8.257 -2.353 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.178 -7.372 -4.192 1.00 10.00 H new ATOM 0 HB VAL A 428 0.183 -5.932 -1.889 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.419 -4.116 -2.321 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.327 -4.383 -3.701 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.002 -4.981 -3.763 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.053 -5.984 -0.856 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.659 -6.938 -2.231 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.420 -7.620 -1.151 1.00 10.00 H new ATOM 261 N MET A 429 2.030 -6.707 -4.127 1.00 10.00 N ATOM 262 CA MET A 429 3.137 -6.173 -4.914 1.00 10.00 C ATOM 263 C MET A 429 2.920 -6.456 -6.400 1.00 10.00 C ATOM 264 O MET A 429 3.423 -5.735 -7.263 1.00 10.00 O ATOM 265 CB MET A 429 4.463 -6.781 -4.452 1.00 10.00 C ATOM 266 CG MET A 429 5.630 -5.809 -4.505 1.00 10.00 C ATOM 267 SD MET A 429 7.181 -6.609 -4.957 1.00 10.00 S ATOM 268 CE MET A 429 7.132 -8.058 -3.905 1.00 10.00 C ATOM 0 H MET A 429 2.313 -7.231 -3.299 1.00 10.00 H new ATOM 0 HA MET A 429 3.176 -5.094 -4.765 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.350 -7.144 -3.431 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.693 -7.646 -5.074 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.409 -5.021 -5.225 1.00 10.00 H new ATOM 0 HG3 MET A 429 5.743 -5.330 -3.533 1.00 10.00 H new ATOM 0 HE1 MET A 429 8.148 -8.408 -3.721 1.00 10.00 H new ATOM 0 HE2 MET A 429 6.658 -7.803 -2.957 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.560 -8.845 -4.396 1.00 10.00 H new ATOM 278 N ASN A 430 2.161 -7.513 -6.686 1.00 10.00 N ATOM 279 CA ASN A 430 1.863 -7.900 -8.056 1.00 10.00 C ATOM 280 C ASN A 430 0.362 -8.100 -8.258 1.00 10.00 C ATOM 281 O ASN A 430 -0.057 -8.842 -9.145 1.00 10.00 O ATOM 282 CB ASN A 430 2.609 -9.188 -8.403 1.00 10.00 C ATOM 283 CG ASN A 430 4.032 -8.931 -8.859 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.327 -8.958 -10.053 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.922 -8.678 -7.906 1.00 10.00 N ATOM 0 H ASN A 430 1.741 -8.117 -5.980 1.00 10.00 H new ATOM 0 HA ASN A 430 2.191 -7.098 -8.717 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.623 -9.842 -7.531 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.069 -9.716 -9.189 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.895 -8.496 -8.152 1.00 10.00 H new ATOM 0 HD22 ASN A 430 4.632 -8.666 -6.928 1.00 10.00 H new ATOM 292 N MET A 431 -0.443 -7.434 -7.432 1.00 10.00 N ATOM 293 CA MET A 431 -1.898 -7.541 -7.525 1.00 10.00 C ATOM 294 C MET A 431 -2.581 -6.886 -6.330 1.00 10.00 C ATOM 295 O MET A 431 -2.907 -7.554 -5.349 1.00 10.00 O ATOM 296 CB MET A 431 -2.331 -9.004 -7.612 1.00 10.00 C ATOM 297 CG MET A 431 -2.717 -9.446 -9.013 1.00 10.00 C ATOM 298 SD MET A 431 -4.497 -9.382 -9.295 1.00 10.00 S ATOM 299 CE MET A 431 -4.947 -11.091 -9.002 1.00 10.00 C ATOM 0 H MET A 431 -0.113 -6.815 -6.691 1.00 10.00 H new ATOM 0 HA MET A 431 -2.201 -7.019 -8.433 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.519 -9.636 -7.252 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.178 -9.163 -6.944 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.214 -8.810 -9.742 1.00 10.00 H new ATOM 0 HG3 MET A 431 -2.363 -10.463 -9.179 1.00 10.00 H new ATOM 0 HE1 MET A 431 -6.022 -11.213 -9.138 1.00 10.00 H new ATOM 0 HE2 MET A 431 -4.417 -11.733 -9.706 1.00 10.00 H new ATOM 0 HE3 MET A 431 -4.677 -11.369 -7.983 1.00 10.00 H new ATOM 309 N TRP A 432 -2.826 -5.590 -6.432 1.00 10.00 N ATOM 310 CA TRP A 432 -3.501 -4.858 -5.370 1.00 10.00 C ATOM 311 C TRP A 432 -5.004 -5.007 -5.547 1.00 10.00 C ATOM 312 O TRP A 432 -5.621 -4.318 -6.360 1.00 10.00 O ATOM 313 CB TRP A 432 -3.107 -3.378 -5.375 1.00 10.00 C ATOM 314 CG TRP A 432 -1.678 -3.106 -5.765 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.085 -3.390 -6.957 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.665 -2.478 -4.965 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.211 -2.950 -6.959 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.496 -2.397 -5.750 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.628 -1.968 -3.672 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.675 -1.825 -5.286 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.542 -1.407 -3.202 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.681 -1.335 -4.010 1.00 10.00 C ATOM 0 H TRP A 432 -2.568 -5.022 -7.239 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.198 -5.272 -4.408 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.764 -2.844 -6.061 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.282 -2.967 -4.381 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.568 -3.891 -7.783 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.860 -3.025 -7.743 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.505 -2.010 -3.043 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.554 -1.770 -5.911 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.578 -1.018 -2.195 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.581 -0.884 -3.619 1.00 10.00 H new ATOM 333 N SER A 433 -5.573 -5.934 -4.795 1.00 10.00 N ATOM 334 CA SER A 433 -7.003 -6.216 -4.873 1.00 10.00 C ATOM 335 C SER A 433 -7.833 -5.003 -4.473 1.00 10.00 C ATOM 336 O SER A 433 -7.409 -4.191 -3.650 1.00 10.00 O ATOM 337 CB SER A 433 -7.358 -7.412 -3.984 1.00 10.00 C ATOM 338 OG SER A 433 -7.754 -6.994 -2.688 1.00 10.00 O ATOM 0 H SER A 433 -5.067 -6.508 -4.120 1.00 10.00 H new ATOM 0 HA SER A 433 -7.238 -6.457 -5.910 1.00 10.00 H new ATOM 0 HB2 SER A 433 -8.163 -7.984 -4.445 1.00 10.00 H new ATOM 0 HB3 SER A 433 -6.498 -8.078 -3.906 1.00 10.00 H new ATOM 0 HG SER A 433 -7.976 -7.779 -2.145 1.00 10.00 H new ATOM 344 N GLU A 434 -9.027 -4.892 -5.051 1.00 10.00 N ATOM 345 CA GLU A 434 -9.924 -3.783 -4.743 1.00 10.00 C ATOM 346 C GLU A 434 -10.060 -3.618 -3.233 1.00 10.00 C ATOM 347 O GLU A 434 -10.281 -2.515 -2.733 1.00 10.00 O ATOM 348 CB GLU A 434 -11.299 -4.019 -5.372 1.00 10.00 C ATOM 349 CG GLU A 434 -12.019 -2.737 -5.755 1.00 10.00 C ATOM 350 CD GLU A 434 -13.402 -2.993 -6.322 1.00 10.00 C ATOM 351 OE1 GLU A 434 -14.252 -3.538 -5.588 1.00 10.00 O ATOM 352 OE2 GLU A 434 -13.635 -2.647 -7.499 1.00 10.00 O ATOM 0 H GLU A 434 -9.394 -5.555 -5.733 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.501 -2.869 -5.160 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.182 -4.640 -6.260 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.919 -4.579 -4.672 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -12.103 -2.096 -4.878 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.423 -2.196 -6.490 1.00 10.00 H new ATOM 359 N GLN A 435 -9.913 -4.727 -2.514 1.00 10.00 N ATOM 360 CA GLN A 435 -10.002 -4.716 -1.063 1.00 10.00 C ATOM 361 C GLN A 435 -8.640 -4.422 -0.449 1.00 10.00 C ATOM 362 O GLN A 435 -8.549 -3.827 0.625 1.00 10.00 O ATOM 363 CB GLN A 435 -10.529 -6.058 -0.550 1.00 10.00 C ATOM 364 CG GLN A 435 -11.895 -6.427 -1.105 1.00 10.00 C ATOM 365 CD GLN A 435 -12.954 -5.391 -0.781 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.615 -5.464 0.254 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.122 -4.419 -1.670 1.00 10.00 N ATOM 0 H GLN A 435 -9.731 -5.646 -2.917 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.697 -3.930 -0.768 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -9.817 -6.842 -0.809 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.585 -6.025 0.538 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.825 -6.544 -2.186 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -12.200 -7.392 -0.700 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.552 -4.397 -2.515 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -13.821 -3.694 -1.507 1.00 10.00 H new ATOM 376 N GLU A 436 -7.579 -4.829 -1.143 1.00 10.00 N ATOM 377 CA GLU A 436 -6.232 -4.594 -0.673 1.00 10.00 C ATOM 378 C GLU A 436 -5.866 -3.139 -0.896 1.00 10.00 C ATOM 379 O GLU A 436 -5.545 -2.419 0.049 1.00 10.00 O ATOM 380 CB GLU A 436 -5.271 -5.545 -1.390 1.00 10.00 C ATOM 381 CG GLU A 436 -4.654 -6.584 -0.467 1.00 10.00 C ATOM 382 CD GLU A 436 -4.519 -7.942 -1.124 1.00 10.00 C ATOM 383 OE1 GLU A 436 -4.472 -7.997 -2.371 1.00 10.00 O ATOM 384 OE2 GLU A 436 -4.460 -8.954 -0.392 1.00 10.00 O ATOM 0 H GLU A 436 -7.635 -5.323 -2.033 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.161 -4.793 0.396 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.805 -6.053 -2.193 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.475 -4.964 -1.855 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -3.671 -6.241 -0.146 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -5.267 -6.678 0.429 1.00 10.00 H new ATOM 391 N LYS A 437 -5.973 -2.691 -2.139 1.00 10.00 N ATOM 392 CA LYS A 437 -5.710 -1.294 -2.466 1.00 10.00 C ATOM 393 C LYS A 437 -6.589 -0.407 -1.594 1.00 10.00 C ATOM 394 O LYS A 437 -6.306 0.770 -1.397 1.00 10.00 O ATOM 395 CB LYS A 437 -6.001 -1.031 -3.946 1.00 10.00 C ATOM 396 CG LYS A 437 -5.079 -0.001 -4.575 1.00 10.00 C ATOM 397 CD LYS A 437 -5.779 0.772 -5.680 1.00 10.00 C ATOM 398 CE LYS A 437 -6.227 -0.147 -6.805 1.00 10.00 C ATOM 399 NZ LYS A 437 -7.537 -0.790 -6.510 1.00 10.00 N ATOM 0 H LYS A 437 -6.239 -3.270 -2.935 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.660 -1.068 -2.278 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -5.914 -1.968 -4.496 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.032 -0.694 -4.050 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -4.730 0.692 -3.810 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.198 -0.499 -4.980 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -6.643 1.294 -5.269 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -5.106 1.532 -6.076 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -6.303 0.423 -7.731 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -5.473 -0.917 -6.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -8.079 -0.893 -7.391 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -7.377 -1.728 -6.090 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -8.071 -0.198 -5.842 1.00 10.00 H new ATOM 413 N GLU A 438 -7.655 -0.999 -1.061 1.00 10.00 N ATOM 414 CA GLU A 438 -8.578 -0.284 -0.198 1.00 10.00 C ATOM 415 C GLU A 438 -7.892 0.174 1.079 1.00 10.00 C ATOM 416 O GLU A 438 -8.357 1.103 1.732 1.00 10.00 O ATOM 417 CB GLU A 438 -9.772 -1.172 0.146 1.00 10.00 C ATOM 418 CG GLU A 438 -11.089 -0.418 0.227 1.00 10.00 C ATOM 419 CD GLU A 438 -11.537 -0.180 1.656 1.00 10.00 C ATOM 420 OE1 GLU A 438 -10.684 -0.248 2.565 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.742 0.076 1.866 1.00 10.00 O ATOM 0 H GLU A 438 -7.898 -1.978 -1.216 1.00 10.00 H new ATOM 0 HA GLU A 438 -8.926 0.598 -0.735 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.858 -1.957 -0.605 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.585 -1.663 1.101 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.987 0.540 -0.282 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.858 -0.980 -0.302 1.00 10.00 H new ATOM 428 N THR A 439 -6.792 -0.481 1.447 1.00 10.00 N ATOM 429 CA THR A 439 -6.078 -0.107 2.664 1.00 10.00 C ATOM 430 C THR A 439 -4.927 0.852 2.371 1.00 10.00 C ATOM 431 O THR A 439 -4.741 1.839 3.083 1.00 10.00 O ATOM 432 CB THR A 439 -5.550 -1.347 3.384 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.606 -2.241 3.686 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.838 -1.020 4.681 1.00 10.00 C ATOM 0 H THR A 439 -6.382 -1.259 0.930 1.00 10.00 H new ATOM 0 HA THR A 439 -6.790 0.406 3.311 1.00 10.00 H new ATOM 0 HB THR A 439 -4.836 -1.802 2.697 1.00 10.00 H new ATOM 0 HG1 THR A 439 -7.331 -1.753 4.129 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.486 -1.941 5.145 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.988 -0.370 4.475 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.527 -0.513 5.357 1.00 10.00 H new ATOM 442 N PHE A 440 -4.156 0.563 1.330 1.00 10.00 N ATOM 443 CA PHE A 440 -3.031 1.406 0.966 1.00 10.00 C ATOM 444 C PHE A 440 -3.514 2.643 0.216 1.00 10.00 C ATOM 445 O PHE A 440 -2.918 3.715 0.317 1.00 10.00 O ATOM 446 CB PHE A 440 -2.024 0.622 0.117 1.00 10.00 C ATOM 447 CG PHE A 440 -2.392 -0.810 -0.100 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.497 -1.699 0.956 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.653 -1.258 -1.370 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.851 -3.009 0.727 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.010 -2.558 -1.602 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.106 -3.428 -0.561 1.00 10.00 C ATOM 0 H PHE A 440 -4.291 -0.248 0.726 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.532 1.729 1.880 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -1.924 1.111 -0.852 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.047 0.666 0.599 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -2.300 -1.363 1.963 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -2.575 -0.573 -2.201 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.928 -3.704 1.550 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.215 -2.892 -2.608 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.384 -4.455 -0.745 1.00 10.00 H new ATOM 462 N ARG A 441 -4.610 2.492 -0.526 1.00 10.00 N ATOM 463 CA ARG A 441 -5.177 3.606 -1.277 1.00 10.00 C ATOM 464 C ARG A 441 -6.011 4.497 -0.361 1.00 10.00 C ATOM 465 O ARG A 441 -6.187 5.685 -0.632 1.00 10.00 O ATOM 466 CB ARG A 441 -6.040 3.102 -2.436 1.00 10.00 C ATOM 467 CG ARG A 441 -6.278 4.146 -3.514 1.00 10.00 C ATOM 468 CD ARG A 441 -7.477 5.021 -3.186 1.00 10.00 C ATOM 469 NE ARG A 441 -8.234 5.384 -4.383 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.356 6.099 -4.362 1.00 10.00 C ATOM 471 NH1 ARG A 441 -9.856 6.529 -3.210 1.00 10.00 N ATOM 472 NH2 ARG A 441 -9.981 6.384 -5.496 1.00 10.00 N ATOM 0 H ARG A 441 -5.119 1.613 -0.622 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.352 4.189 -1.686 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.560 2.232 -2.884 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.002 2.770 -2.045 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.390 4.769 -3.621 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.438 3.651 -4.472 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.130 4.495 -2.490 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.138 5.927 -2.683 1.00 10.00 H new ATOM 0 HE ARG A 441 -7.881 5.071 -5.287 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.380 6.312 -2.335 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.716 7.077 -3.200 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -9.602 6.055 -6.384 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -10.841 6.932 -5.480 1.00 10.00 H new ATOM 486 N GLU A 442 -6.520 3.919 0.728 1.00 10.00 N ATOM 487 CA GLU A 442 -7.331 4.673 1.676 1.00 10.00 C ATOM 488 C GLU A 442 -6.452 5.438 2.654 1.00 10.00 C ATOM 489 O GLU A 442 -6.756 6.575 3.011 1.00 10.00 O ATOM 490 CB GLU A 442 -8.274 3.746 2.439 1.00 10.00 C ATOM 491 CG GLU A 442 -9.596 3.504 1.730 1.00 10.00 C ATOM 492 CD GLU A 442 -10.573 2.709 2.574 1.00 10.00 C ATOM 493 OE1 GLU A 442 -10.119 1.994 3.494 1.00 10.00 O ATOM 494 OE2 GLU A 442 -11.792 2.800 2.316 1.00 10.00 O ATOM 0 H GLU A 442 -6.385 2.938 0.972 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.926 5.389 1.109 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -7.777 2.789 2.600 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -8.472 4.172 3.423 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -10.044 4.462 1.468 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.411 2.972 0.797 1.00 10.00 H new ATOM 501 N LYS A 443 -5.357 4.816 3.079 1.00 10.00 N ATOM 502 CA LYS A 443 -4.444 5.460 4.004 1.00 10.00 C ATOM 503 C LYS A 443 -3.777 6.640 3.321 1.00 10.00 C ATOM 504 O LYS A 443 -3.605 7.701 3.914 1.00 10.00 O ATOM 505 CB LYS A 443 -3.390 4.470 4.502 1.00 10.00 C ATOM 506 CG LYS A 443 -3.730 3.845 5.846 1.00 10.00 C ATOM 507 CD LYS A 443 -4.163 2.396 5.698 1.00 10.00 C ATOM 508 CE LYS A 443 -4.063 1.647 7.017 1.00 10.00 C ATOM 509 NZ LYS A 443 -4.819 2.331 8.102 1.00 10.00 N ATOM 0 H LYS A 443 -5.085 3.874 2.798 1.00 10.00 H new ATOM 0 HA LYS A 443 -5.009 5.815 4.866 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -3.269 3.678 3.763 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.431 4.982 4.581 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.862 3.900 6.503 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -4.527 4.416 6.322 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -5.189 2.357 5.333 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.541 1.904 4.951 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.447 0.635 6.890 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -3.016 1.557 7.305 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -4.869 1.710 8.935 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -4.335 3.215 8.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -5.782 2.546 7.772 1.00 10.00 H new ATOM 523 N PHE A 444 -3.430 6.460 2.052 1.00 10.00 N ATOM 524 CA PHE A 444 -2.809 7.519 1.282 1.00 10.00 C ATOM 525 C PHE A 444 -3.771 8.686 1.188 1.00 10.00 C ATOM 526 O PHE A 444 -3.360 9.843 1.099 1.00 10.00 O ATOM 527 CB PHE A 444 -2.407 7.005 -0.098 1.00 10.00 C ATOM 528 CG PHE A 444 -1.675 8.014 -0.933 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.315 9.150 -1.403 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.340 7.823 -1.246 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.635 10.076 -2.170 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.345 8.745 -2.013 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.303 9.874 -2.476 1.00 10.00 C ATOM 0 H PHE A 444 -3.570 5.590 1.539 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.899 7.857 1.777 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.778 6.123 0.023 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -3.303 6.687 -0.632 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.356 9.313 -1.167 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.172 6.943 -0.886 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.144 10.958 -2.530 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.386 8.584 -2.251 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.230 10.597 -3.076 1.00 10.00 H new ATOM 543 N MET A 445 -5.060 8.375 1.271 1.00 10.00 N ATOM 544 CA MET A 445 -6.076 9.401 1.261 1.00 10.00 C ATOM 545 C MET A 445 -5.984 10.166 2.576 1.00 10.00 C ATOM 546 O MET A 445 -6.221 11.373 2.637 1.00 10.00 O ATOM 547 CB MET A 445 -7.470 8.791 1.085 1.00 10.00 C ATOM 548 CG MET A 445 -8.096 9.089 -0.268 1.00 10.00 C ATOM 549 SD MET A 445 -8.257 10.856 -0.586 1.00 10.00 S ATOM 550 CE MET A 445 -6.813 11.149 -1.605 1.00 10.00 C ATOM 0 H MET A 445 -5.417 7.422 1.345 1.00 10.00 H new ATOM 0 HA MET A 445 -5.913 10.076 0.421 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.404 7.711 1.216 1.00 10.00 H new ATOM 0 HB3 MET A 445 -8.125 9.168 1.870 1.00 10.00 H new ATOM 0 HG2 MET A 445 -7.489 8.637 -1.052 1.00 10.00 H new ATOM 0 HG3 MET A 445 -9.080 8.624 -0.319 1.00 10.00 H new ATOM 0 HE1 MET A 445 -6.158 11.867 -1.111 1.00 10.00 H new ATOM 0 HE2 MET A 445 -6.277 10.212 -1.755 1.00 10.00 H new ATOM 0 HE3 MET A 445 -7.124 11.547 -2.571 1.00 10.00 H new ATOM 560 N GLN A 446 -5.595 9.433 3.620 1.00 10.00 N ATOM 561 CA GLN A 446 -5.410 9.993 4.951 1.00 10.00 C ATOM 562 C GLN A 446 -4.092 10.744 5.004 1.00 10.00 C ATOM 563 O GLN A 446 -3.968 11.785 5.651 1.00 10.00 O ATOM 564 CB GLN A 446 -5.383 8.869 5.992 1.00 10.00 C ATOM 565 CG GLN A 446 -6.610 7.973 5.957 1.00 10.00 C ATOM 566 CD GLN A 446 -7.907 8.755 6.025 1.00 10.00 C ATOM 567 OE1 GLN A 446 -7.989 9.786 6.692 1.00 10.00 O ATOM 568 NE2 GLN A 446 -8.930 8.266 5.333 1.00 10.00 N ATOM 0 H GLN A 446 -5.400 8.433 3.562 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.235 10.671 5.168 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -4.494 8.259 5.832 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -5.293 9.308 6.986 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -6.596 7.380 5.043 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.568 7.273 6.792 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -8.817 7.408 4.794 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -9.828 8.749 5.341 1.00 10.00 H new ATOM 577 N HIS A 447 -3.104 10.181 4.322 1.00 10.00 N ATOM 578 CA HIS A 447 -1.769 10.747 4.272 1.00 10.00 C ATOM 579 C HIS A 447 -1.370 11.047 2.829 1.00 10.00 C ATOM 580 O HIS A 447 -0.526 10.362 2.252 1.00 10.00 O ATOM 581 CB HIS A 447 -0.775 9.771 4.908 1.00 10.00 C ATOM 582 CG HIS A 447 -1.385 8.897 5.968 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.555 9.312 7.273 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.870 7.629 5.915 1.00 10.00 C ATOM 585 CE1 HIS A 447 -2.111 8.338 7.974 1.00 10.00 C ATOM 586 NE2 HIS A 447 -2.314 7.311 7.173 1.00 10.00 N ATOM 0 H HIS A 447 -3.209 9.318 3.788 1.00 10.00 H new ATOM 0 HA HIS A 447 -1.758 11.683 4.830 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.350 9.139 4.128 1.00 10.00 H new ATOM 0 HB3 HIS A 447 0.048 10.337 5.345 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.900 6.990 5.044 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.357 8.377 9.025 1.00 10.00 H new ATOM 0 HE2 HIS A 447 -2.734 6.422 7.445 1.00 10.00 H new ATOM 595 N PRO A 448 -1.985 12.077 2.221 1.00 10.00 N ATOM 596 CA PRO A 448 -1.702 12.462 0.834 1.00 10.00 C ATOM 597 C PRO A 448 -0.294 13.021 0.655 1.00 10.00 C ATOM 598 O PRO A 448 0.179 13.815 1.468 1.00 10.00 O ATOM 599 CB PRO A 448 -2.746 13.543 0.540 1.00 10.00 C ATOM 600 CG PRO A 448 -3.114 14.091 1.875 1.00 10.00 C ATOM 601 CD PRO A 448 -3.012 12.939 2.836 1.00 10.00 C ATOM 0 HA PRO A 448 -1.753 11.606 0.161 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -2.339 14.320 -0.108 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -3.615 13.126 0.031 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.443 14.901 2.163 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -4.123 14.502 1.864 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.716 13.270 3.832 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.964 12.418 2.943 1.00 10.00 H new ATOM 609 N LYS A 449 0.367 12.599 -0.423 1.00 10.00 N ATOM 610 CA LYS A 449 1.725 13.051 -0.735 1.00 10.00 C ATOM 611 C LYS A 449 2.777 12.312 0.093 1.00 10.00 C ATOM 612 O LYS A 449 3.975 12.475 -0.136 1.00 10.00 O ATOM 613 CB LYS A 449 1.856 14.561 -0.515 1.00 10.00 C ATOM 614 CG LYS A 449 2.964 15.200 -1.336 1.00 10.00 C ATOM 615 CD LYS A 449 3.462 16.485 -0.695 1.00 10.00 C ATOM 616 CE LYS A 449 4.754 16.964 -1.336 1.00 10.00 C ATOM 617 NZ LYS A 449 4.674 16.954 -2.823 1.00 10.00 N ATOM 0 H LYS A 449 -0.018 11.940 -1.100 1.00 10.00 H new ATOM 0 HA LYS A 449 1.905 12.824 -1.786 1.00 10.00 H new ATOM 0 HB2 LYS A 449 0.909 15.040 -0.763 1.00 10.00 H new ATOM 0 HB3 LYS A 449 2.042 14.751 0.542 1.00 10.00 H new ATOM 0 HG2 LYS A 449 3.792 14.499 -1.439 1.00 10.00 H new ATOM 0 HG3 LYS A 449 2.598 15.411 -2.341 1.00 10.00 H new ATOM 0 HD2 LYS A 449 2.700 17.259 -0.789 1.00 10.00 H new ATOM 0 HD3 LYS A 449 3.622 16.323 0.371 1.00 10.00 H new ATOM 0 HE2 LYS A 449 4.977 17.974 -0.991 1.00 10.00 H new ATOM 0 HE3 LYS A 449 5.577 16.327 -1.013 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 5.466 17.500 -3.217 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 4.724 15.974 -3.167 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 3.775 17.381 -3.125 1.00 10.00 H new ATOM 631 N ASN A 450 2.335 11.506 1.056 1.00 10.00 N ATOM 632 CA ASN A 450 3.258 10.761 1.901 1.00 10.00 C ATOM 633 C ASN A 450 3.895 9.598 1.146 1.00 10.00 C ATOM 634 O ASN A 450 5.012 9.710 0.641 1.00 10.00 O ATOM 635 CB ASN A 450 2.536 10.236 3.144 1.00 10.00 C ATOM 636 CG ASN A 450 2.411 11.282 4.230 1.00 10.00 C ATOM 637 OD1 ASN A 450 2.454 12.483 3.961 1.00 10.00 O ATOM 638 ND2 ASN A 450 2.256 10.832 5.468 1.00 10.00 N ATOM 0 H ASN A 450 1.349 11.354 1.268 1.00 10.00 H new ATOM 0 HA ASN A 450 4.051 11.445 2.204 1.00 10.00 H new ATOM 0 HB2 ASN A 450 1.542 9.889 2.863 1.00 10.00 H new ATOM 0 HB3 ASN A 450 3.075 9.374 3.536 1.00 10.00 H new ATOM 0 HD21 ASN A 450 2.167 11.490 6.242 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.226 9.828 5.646 1.00 10.00 H new ATOM 645 N PHE A 451 3.187 8.471 1.100 1.00 10.00 N ATOM 646 CA PHE A 451 3.683 7.267 0.439 1.00 10.00 C ATOM 647 C PHE A 451 4.710 6.555 1.317 1.00 10.00 C ATOM 648 O PHE A 451 5.125 5.435 1.020 1.00 10.00 O ATOM 649 CB PHE A 451 4.276 7.592 -0.938 1.00 10.00 C ATOM 650 CG PHE A 451 3.734 6.731 -2.050 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.419 6.298 -2.025 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.534 6.362 -3.120 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.910 5.514 -3.040 1.00 10.00 C ATOM 654 CE2 PHE A 451 4.032 5.575 -4.140 1.00 10.00 C ATOM 655 CZ PHE A 451 2.718 5.152 -4.100 1.00 10.00 C ATOM 0 H PHE A 451 2.262 8.367 1.516 1.00 10.00 H new ATOM 0 HA PHE A 451 2.837 6.597 0.286 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.078 8.638 -1.171 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.359 7.474 -0.894 1.00 10.00 H new ATOM 0 HD1 PHE A 451 1.782 6.578 -1.199 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.561 6.693 -3.157 1.00 10.00 H new ATOM 0 HE1 PHE A 451 0.882 5.184 -3.006 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.667 5.292 -4.967 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.323 4.539 -4.896 1.00 10.00 H new ATOM 665 N GLY A 452 5.088 7.199 2.421 1.00 10.00 N ATOM 666 CA GLY A 452 6.026 6.606 3.346 1.00 10.00 C ATOM 667 C GLY A 452 5.297 5.889 4.460 1.00 10.00 C ATOM 668 O GLY A 452 5.774 4.882 4.981 1.00 10.00 O ATOM 0 H GLY A 452 4.756 8.126 2.687 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.672 5.905 2.817 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.670 7.379 3.765 1.00 10.00 H new ATOM 672 N LEU A 453 4.117 6.405 4.806 1.00 10.00 N ATOM 673 CA LEU A 453 3.295 5.802 5.844 1.00 10.00 C ATOM 674 C LEU A 453 2.677 4.519 5.330 1.00 10.00 C ATOM 675 O LEU A 453 2.834 3.455 5.928 1.00 10.00 O ATOM 676 CB LEU A 453 2.188 6.755 6.295 1.00 10.00 C ATOM 677 CG LEU A 453 1.117 6.116 7.184 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.518 7.148 8.118 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.036 5.445 6.337 1.00 10.00 C ATOM 0 H LEU A 453 3.713 7.239 4.380 1.00 10.00 H new ATOM 0 HA LEU A 453 3.935 5.587 6.699 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.641 7.586 6.835 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.705 7.174 5.412 1.00 10.00 H new ATOM 0 HG LEU A 453 1.589 5.344 7.791 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.241 6.677 8.742 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.302 7.564 8.751 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.062 7.947 7.533 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.713 4.998 6.991 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.438 6.189 5.696 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.487 4.669 5.719 1.00 10.00 H new ATOM 691 N ILE A 454 1.977 4.621 4.206 1.00 10.00 N ATOM 692 CA ILE A 454 1.349 3.463 3.607 1.00 10.00 C ATOM 693 C ILE A 454 2.387 2.386 3.360 1.00 10.00 C ATOM 694 O ILE A 454 2.175 1.223 3.676 1.00 10.00 O ATOM 695 CB ILE A 454 0.628 3.842 2.304 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.711 4.459 2.657 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.447 2.639 1.384 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.661 5.967 2.697 1.00 10.00 C ATOM 0 H ILE A 454 1.834 5.493 3.697 1.00 10.00 H new ATOM 0 HA ILE A 454 0.599 3.075 4.296 1.00 10.00 H new ATOM 0 HB ILE A 454 1.238 4.561 1.757 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.457 4.143 1.927 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -1.036 4.084 3.628 1.00 10.00 H new ATOM 0 HG21 ILE A 454 -0.067 2.951 0.475 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.423 2.228 1.127 1.00 10.00 H new ATOM 0 HG23 ILE A 454 -0.145 1.878 1.892 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.646 6.357 2.954 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.063 6.287 3.446 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.364 6.347 1.720 1.00 10.00 H new ATOM 710 N ALA A 455 3.533 2.802 2.842 1.00 10.00 N ATOM 711 CA ALA A 455 4.634 1.886 2.596 1.00 10.00 C ATOM 712 C ALA A 455 5.292 1.480 3.915 1.00 10.00 C ATOM 713 O ALA A 455 6.297 0.771 3.926 1.00 10.00 O ATOM 714 CB ALA A 455 5.656 2.524 1.668 1.00 10.00 C ATOM 0 H ALA A 455 3.724 3.770 2.584 1.00 10.00 H new ATOM 0 HA ALA A 455 4.240 0.991 2.115 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.475 1.826 1.493 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.181 2.771 0.719 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.046 3.433 2.126 1.00 10.00 H new ATOM 720 N SER A 456 4.715 1.940 5.029 1.00 10.00 N ATOM 721 CA SER A 456 5.242 1.629 6.349 1.00 10.00 C ATOM 722 C SER A 456 4.373 0.594 7.056 1.00 10.00 C ATOM 723 O SER A 456 4.890 -0.278 7.755 1.00 10.00 O ATOM 724 CB SER A 456 5.338 2.901 7.198 1.00 10.00 C ATOM 725 OG SER A 456 6.688 3.214 7.495 1.00 10.00 O ATOM 0 H SER A 456 3.882 2.529 5.037 1.00 10.00 H new ATOM 0 HA SER A 456 6.240 1.210 6.222 1.00 10.00 H new ATOM 0 HB2 SER A 456 4.877 3.733 6.666 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.780 2.767 8.125 1.00 10.00 H new ATOM 0 HG SER A 456 6.723 4.030 8.036 1.00 10.00 H new ATOM 731 N PHE A 457 3.055 0.680 6.874 1.00 10.00 N ATOM 732 CA PHE A 457 2.155 -0.274 7.509 1.00 10.00 C ATOM 733 C PHE A 457 2.127 -1.587 6.722 1.00 10.00 C ATOM 734 O PHE A 457 1.817 -2.644 7.270 1.00 10.00 O ATOM 735 CB PHE A 457 0.746 0.320 7.671 1.00 10.00 C ATOM 736 CG PHE A 457 -0.100 0.262 6.434 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.651 -0.939 6.014 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.348 1.409 5.692 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.428 -0.999 4.878 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.125 1.353 4.556 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.665 0.153 4.147 1.00 10.00 C ATOM 0 H PHE A 457 2.596 1.389 6.302 1.00 10.00 H new ATOM 0 HA PHE A 457 2.530 -0.491 8.509 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.232 -0.210 8.473 1.00 10.00 H new ATOM 0 HB3 PHE A 457 0.838 1.360 7.985 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.469 -1.838 6.584 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.072 2.353 6.008 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.850 -1.940 4.559 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.311 2.251 3.985 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.273 0.111 3.256 1.00 10.00 H new ATOM 751 N LEU A 458 2.485 -1.513 5.439 1.00 10.00 N ATOM 752 CA LEU A 458 2.537 -2.695 4.583 1.00 10.00 C ATOM 753 C LEU A 458 3.938 -2.839 3.990 1.00 10.00 C ATOM 754 O LEU A 458 4.110 -2.982 2.781 1.00 10.00 O ATOM 755 CB LEU A 458 1.482 -2.618 3.473 1.00 10.00 C ATOM 756 CG LEU A 458 1.313 -1.245 2.823 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.623 -0.795 2.197 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.202 -1.275 1.780 1.00 10.00 C ATOM 0 H LEU A 458 2.743 -0.644 4.971 1.00 10.00 H new ATOM 0 HA LEU A 458 2.315 -3.575 5.187 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.742 -3.339 2.698 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.522 -2.926 3.886 1.00 10.00 H new ATOM 0 HG LEU A 458 1.033 -0.529 3.595 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.489 0.184 1.737 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.392 -0.732 2.967 1.00 10.00 H new ATOM 0 HD13 LEU A 458 2.929 -1.514 1.437 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.099 -0.288 1.330 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.449 -2.002 1.007 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.737 -1.556 2.257 1.00 10.00 H new ATOM 770 N GLU A 459 4.930 -2.781 4.879 1.00 10.00 N ATOM 771 CA GLU A 459 6.354 -2.878 4.527 1.00 10.00 C ATOM 772 C GLU A 459 6.607 -3.711 3.273 1.00 10.00 C ATOM 773 O GLU A 459 7.438 -3.347 2.441 1.00 10.00 O ATOM 774 CB GLU A 459 7.140 -3.469 5.699 1.00 10.00 C ATOM 775 CG GLU A 459 8.535 -2.886 5.852 1.00 10.00 C ATOM 776 CD GLU A 459 8.958 -2.757 7.301 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.847 -3.757 8.044 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.400 -1.658 7.695 1.00 10.00 O ATOM 0 H GLU A 459 4.769 -2.664 5.879 1.00 10.00 H new ATOM 0 HA GLU A 459 6.692 -1.865 4.312 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.582 -3.302 6.621 1.00 10.00 H new ATOM 0 HB3 GLU A 459 7.219 -4.548 5.565 1.00 10.00 H new ATOM 0 HG2 GLU A 459 9.249 -3.518 5.324 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.568 -1.904 5.379 1.00 10.00 H new ATOM 785 N ARG A 460 5.895 -4.826 3.139 1.00 10.00 N ATOM 786 CA ARG A 460 6.056 -5.701 1.978 1.00 10.00 C ATOM 787 C ARG A 460 6.081 -4.887 0.685 1.00 10.00 C ATOM 788 O ARG A 460 6.681 -5.294 -0.308 1.00 10.00 O ATOM 789 CB ARG A 460 4.927 -6.730 1.928 1.00 10.00 C ATOM 790 CG ARG A 460 5.080 -7.847 2.949 1.00 10.00 C ATOM 791 CD ARG A 460 6.387 -8.598 2.761 1.00 10.00 C ATOM 792 NE ARG A 460 7.424 -8.131 3.679 1.00 10.00 N ATOM 793 CZ ARG A 460 8.671 -8.596 3.690 1.00 10.00 C ATOM 794 NH1 ARG A 460 9.040 -9.542 2.834 1.00 10.00 N ATOM 795 NH2 ARG A 460 9.551 -8.116 4.558 1.00 10.00 N ATOM 0 H ARG A 460 5.203 -5.146 3.816 1.00 10.00 H new ATOM 0 HA ARG A 460 7.007 -6.224 2.075 1.00 10.00 H new ATOM 0 HB2 ARG A 460 3.976 -6.223 2.095 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.886 -7.164 0.929 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.041 -7.430 3.955 1.00 10.00 H new ATOM 0 HG3 ARG A 460 4.244 -8.541 2.859 1.00 10.00 H new ATOM 0 HD2 ARG A 460 6.218 -9.664 2.916 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.731 -8.476 1.734 1.00 10.00 H new ATOM 0 HE ARG A 460 7.177 -7.405 4.352 1.00 10.00 H new ATOM 0 HH11 ARG A 460 8.367 -9.915 2.165 1.00 10.00 H new ATOM 0 HH12 ARG A 460 9.997 -9.896 2.846 1.00 10.00 H new ATOM 0 HH21 ARG A 460 9.272 -7.390 5.218 1.00 10.00 H new ATOM 0 HH22 ARG A 460 10.506 -8.473 4.566 1.00 10.00 H new ATOM 809 N LYS A 461 5.426 -3.731 0.717 1.00 10.00 N ATOM 810 CA LYS A 461 5.370 -2.844 -0.436 1.00 10.00 C ATOM 811 C LYS A 461 6.281 -1.640 -0.220 1.00 10.00 C ATOM 812 O LYS A 461 6.237 -0.997 0.829 1.00 10.00 O ATOM 813 CB LYS A 461 3.932 -2.367 -0.685 1.00 10.00 C ATOM 814 CG LYS A 461 2.858 -3.288 -0.119 1.00 10.00 C ATOM 815 CD LYS A 461 2.382 -4.288 -1.161 1.00 10.00 C ATOM 816 CE LYS A 461 3.406 -5.386 -1.395 1.00 10.00 C ATOM 817 NZ LYS A 461 3.089 -6.618 -0.621 1.00 10.00 N ATOM 0 H LYS A 461 4.924 -3.386 1.535 1.00 10.00 H new ATOM 0 HA LYS A 461 5.711 -3.400 -1.310 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.810 -1.375 -0.249 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.777 -2.264 -1.759 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.252 -3.821 0.746 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.014 -2.694 0.230 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.441 -4.731 -0.836 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.184 -3.770 -2.099 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.445 -5.625 -2.458 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.395 -5.025 -1.113 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 3.892 -7.277 -0.673 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.910 -6.367 0.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 2.243 -7.071 -1.021 1.00 10.00 H new ATOM 831 N THR A 462 7.110 -1.339 -1.213 1.00 10.00 N ATOM 832 CA THR A 462 8.032 -0.211 -1.120 1.00 10.00 C ATOM 833 C THR A 462 7.345 1.089 -1.525 1.00 10.00 C ATOM 834 O THR A 462 6.315 1.074 -2.198 1.00 10.00 O ATOM 835 CB THR A 462 9.265 -0.451 -1.996 1.00 10.00 C ATOM 836 OG1 THR A 462 9.112 -1.627 -2.771 1.00 10.00 O ATOM 837 CG2 THR A 462 10.545 -0.590 -1.200 1.00 10.00 C ATOM 0 H THR A 462 7.163 -1.858 -2.090 1.00 10.00 H new ATOM 0 HA THR A 462 8.351 -0.122 -0.082 1.00 10.00 H new ATOM 0 HB THR A 462 9.343 0.431 -2.631 1.00 10.00 H new ATOM 0 HG1 THR A 462 9.964 -1.849 -3.201 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.380 -0.758 -1.880 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.720 0.322 -0.630 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.458 -1.434 -0.516 1.00 10.00 H new ATOM 845 N VAL A 463 7.924 2.212 -1.112 1.00 10.00 N ATOM 846 CA VAL A 463 7.368 3.521 -1.436 1.00 10.00 C ATOM 847 C VAL A 463 7.359 3.748 -2.943 1.00 10.00 C ATOM 848 O VAL A 463 6.300 3.892 -3.552 1.00 10.00 O ATOM 849 CB VAL A 463 8.159 4.656 -0.756 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.459 5.991 -0.958 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.346 4.366 0.727 1.00 10.00 C ATOM 0 H VAL A 463 8.777 2.242 -0.553 1.00 10.00 H new ATOM 0 HA VAL A 463 6.345 3.535 -1.061 1.00 10.00 H new ATOM 0 HB VAL A 463 9.144 4.713 -1.219 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.032 6.780 -0.471 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.382 6.204 -2.024 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.460 5.947 -0.524 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.907 5.179 1.189 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.371 4.279 1.207 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.895 3.432 0.849 1.00 10.00 H new ATOM 861 N ALA A 464 8.546 3.770 -3.541 1.00 10.00 N ATOM 862 CA ALA A 464 8.670 3.970 -4.979 1.00 10.00 C ATOM 863 C ALA A 464 8.006 2.829 -5.737 1.00 10.00 C ATOM 864 O ALA A 464 7.469 3.022 -6.827 1.00 10.00 O ATOM 865 CB ALA A 464 10.134 4.091 -5.373 1.00 10.00 C ATOM 0 H ALA A 464 9.434 3.652 -3.052 1.00 10.00 H new ATOM 0 HA ALA A 464 8.163 4.898 -5.243 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.210 4.240 -6.450 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.581 4.941 -4.857 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.662 3.179 -5.095 1.00 10.00 H new ATOM 871 N GLU A 465 8.038 1.639 -5.146 1.00 10.00 N ATOM 872 CA GLU A 465 7.429 0.466 -5.760 1.00 10.00 C ATOM 873 C GLU A 465 5.910 0.530 -5.646 1.00 10.00 C ATOM 874 O GLU A 465 5.191 -0.037 -6.468 1.00 10.00 O ATOM 875 CB GLU A 465 7.949 -0.812 -5.101 1.00 10.00 C ATOM 876 CG GLU A 465 7.682 -2.068 -5.913 1.00 10.00 C ATOM 877 CD GLU A 465 8.343 -2.032 -7.277 1.00 10.00 C ATOM 878 OE1 GLU A 465 7.728 -1.492 -8.222 1.00 10.00 O ATOM 879 OE2 GLU A 465 9.476 -2.543 -7.402 1.00 10.00 O ATOM 0 H GLU A 465 8.479 1.462 -4.243 1.00 10.00 H new ATOM 0 HA GLU A 465 7.700 0.453 -6.816 1.00 10.00 H new ATOM 0 HB2 GLU A 465 9.023 -0.716 -4.939 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.486 -0.919 -4.120 1.00 10.00 H new ATOM 0 HG2 GLU A 465 8.043 -2.936 -5.361 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.606 -2.194 -6.038 1.00 10.00 H new ATOM 886 N CYS A 466 5.427 1.231 -4.623 1.00 10.00 N ATOM 887 CA CYS A 466 3.994 1.374 -4.408 1.00 10.00 C ATOM 888 C CYS A 466 3.349 2.090 -5.584 1.00 10.00 C ATOM 889 O CYS A 466 2.178 1.869 -5.893 1.00 10.00 O ATOM 890 CB CYS A 466 3.717 2.136 -3.110 1.00 10.00 C ATOM 891 SG CYS A 466 1.960 2.351 -2.741 1.00 10.00 S ATOM 0 H CYS A 466 6.008 1.707 -3.933 1.00 10.00 H new ATOM 0 HA CYS A 466 3.560 0.378 -4.324 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.189 1.606 -2.282 1.00 10.00 H new ATOM 0 HB3 CYS A 466 4.187 3.117 -3.170 1.00 10.00 H new ATOM 0 HG CYS A 466 1.606 3.572 -3.011 1.00 10.00 H new ATOM 897 N VAL A 467 4.127 2.938 -6.254 1.00 10.00 N ATOM 898 CA VAL A 467 3.632 3.669 -7.414 1.00 10.00 C ATOM 899 C VAL A 467 2.949 2.711 -8.387 1.00 10.00 C ATOM 900 O VAL A 467 2.062 3.101 -9.145 1.00 10.00 O ATOM 901 CB VAL A 467 4.782 4.413 -8.137 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.412 4.740 -9.580 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.150 5.680 -7.379 1.00 10.00 C ATOM 0 H VAL A 467 5.099 3.134 -6.013 1.00 10.00 H new ATOM 0 HA VAL A 467 2.910 4.407 -7.063 1.00 10.00 H new ATOM 0 HB VAL A 467 5.649 3.752 -8.159 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.241 5.262 -10.059 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.204 3.817 -10.120 1.00 10.00 H new ATOM 0 HG13 VAL A 467 3.527 5.376 -9.593 1.00 10.00 H new ATOM 0 HG21 VAL A 467 5.960 6.193 -7.899 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.281 6.336 -7.324 1.00 10.00 H new ATOM 0 HG23 VAL A 467 5.473 5.420 -6.371 1.00 10.00 H new ATOM 913 N LEU A 468 3.374 1.451 -8.354 1.00 10.00 N ATOM 914 CA LEU A 468 2.816 0.427 -9.222 1.00 10.00 C ATOM 915 C LEU A 468 1.323 0.222 -8.972 1.00 10.00 C ATOM 916 O LEU A 468 0.655 -0.467 -9.740 1.00 10.00 O ATOM 917 CB LEU A 468 3.566 -0.892 -9.022 1.00 10.00 C ATOM 918 CG LEU A 468 3.926 -1.636 -10.309 1.00 10.00 C ATOM 919 CD1 LEU A 468 4.940 -0.842 -11.118 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.463 -3.023 -9.990 1.00 10.00 C ATOM 0 H LEU A 468 4.108 1.116 -7.730 1.00 10.00 H new ATOM 0 HA LEU A 468 2.936 0.764 -10.252 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.483 -0.690 -8.469 1.00 10.00 H new ATOM 0 HB3 LEU A 468 2.957 -1.548 -8.400 1.00 10.00 H new ATOM 0 HG LEU A 468 3.022 -1.747 -10.907 1.00 10.00 H new ATOM 0 HD11 LEU A 468 5.184 -1.386 -12.030 1.00 10.00 H new ATOM 0 HD12 LEU A 468 4.518 0.129 -11.377 1.00 10.00 H new ATOM 0 HD13 LEU A 468 5.845 -0.699 -10.527 1.00 10.00 H new ATOM 0 HD21 LEU A 468 4.714 -3.538 -10.917 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.356 -2.934 -9.371 1.00 10.00 H new ATOM 0 HD23 LEU A 468 3.704 -3.592 -9.453 1.00 10.00 H new ATOM 932 N TYR A 469 0.801 0.814 -7.895 1.00 10.00 N ATOM 933 CA TYR A 469 -0.613 0.684 -7.563 1.00 10.00 C ATOM 934 C TYR A 469 -1.350 2.014 -7.724 1.00 10.00 C ATOM 935 O TYR A 469 -2.579 2.052 -7.706 1.00 10.00 O ATOM 936 CB TYR A 469 -0.774 0.123 -6.139 1.00 10.00 C ATOM 937 CG TYR A 469 -1.252 1.081 -5.066 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.814 2.398 -5.039 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.134 0.662 -4.067 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.233 3.274 -4.062 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.557 1.539 -3.086 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.102 2.841 -3.090 1.00 10.00 C ATOM 943 OH TYR A 469 -2.513 3.714 -2.112 1.00 10.00 O ATOM 0 H TYR A 469 1.337 1.386 -7.242 1.00 10.00 H new ATOM 0 HA TYR A 469 -1.066 -0.018 -8.263 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.473 -0.712 -6.182 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.188 -0.283 -5.825 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.130 2.743 -5.800 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.489 -0.358 -4.061 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.881 4.295 -4.060 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.241 1.206 -2.319 1.00 10.00 H new ATOM 0 HH TYR A 469 -1.982 3.570 -1.301 1.00 10.00 H new ATOM 953 N TYR A 470 -0.594 3.105 -7.860 1.00 10.00 N ATOM 954 CA TYR A 470 -1.189 4.426 -7.994 1.00 10.00 C ATOM 955 C TYR A 470 -1.319 4.830 -9.459 1.00 10.00 C ATOM 956 O TYR A 470 -2.263 5.528 -9.830 1.00 10.00 O ATOM 957 CB TYR A 470 -0.370 5.461 -7.203 1.00 10.00 C ATOM 958 CG TYR A 470 0.276 6.537 -8.051 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.285 6.223 -8.946 1.00 10.00 C ATOM 960 CD2 TYR A 470 -0.128 7.863 -7.955 1.00 10.00 C ATOM 961 CE1 TYR A 470 1.877 7.194 -9.725 1.00 10.00 C ATOM 962 CE2 TYR A 470 0.460 8.844 -8.729 1.00 10.00 C ATOM 963 CZ TYR A 470 1.462 8.504 -9.614 1.00 10.00 C ATOM 964 OH TYR A 470 2.050 9.477 -10.389 1.00 10.00 O ATOM 0 H TYR A 470 0.426 3.095 -7.880 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.196 4.391 -7.577 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.022 5.937 -6.470 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.409 4.940 -6.646 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.614 5.198 -9.035 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -0.914 8.131 -7.264 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.662 6.930 -10.419 1.00 10.00 H new ATOM 0 HE2 TYR A 470 0.137 9.871 -8.642 1.00 10.00 H new ATOM 0 HH TYR A 470 1.474 9.677 -11.156 1.00 10.00 H new ATOM 974 N TYR A 471 -0.381 4.391 -10.296 1.00 10.00 N ATOM 975 CA TYR A 471 -0.441 4.728 -11.713 1.00 10.00 C ATOM 976 C TYR A 471 -1.742 4.213 -12.321 1.00 10.00 C ATOM 977 O TYR A 471 -2.206 4.721 -13.341 1.00 10.00 O ATOM 978 CB TYR A 471 0.783 4.190 -12.467 1.00 10.00 C ATOM 979 CG TYR A 471 0.743 2.709 -12.768 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.050 2.221 -13.871 1.00 10.00 C ATOM 981 CD2 TYR A 471 1.410 1.800 -11.958 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.023 0.868 -14.154 1.00 10.00 C ATOM 983 CE2 TYR A 471 1.386 0.446 -12.234 1.00 10.00 C ATOM 984 CZ TYR A 471 0.691 -0.014 -13.333 1.00 10.00 C ATOM 985 OH TYR A 471 0.667 -1.361 -13.612 1.00 10.00 O ATOM 0 H TYR A 471 0.414 3.813 -10.023 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.424 5.814 -11.810 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.882 4.735 -13.406 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.676 4.403 -11.880 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.475 2.910 -14.516 1.00 10.00 H new ATOM 0 HD2 TYR A 471 1.957 2.157 -11.098 1.00 10.00 H new ATOM 0 HE1 TYR A 471 -0.519 0.504 -15.014 1.00 10.00 H new ATOM 0 HE2 TYR A 471 1.909 -0.248 -11.593 1.00 10.00 H new ATOM 0 HH TYR A 471 1.188 -1.844 -12.937 1.00 10.00 H new ATOM 995 N LEU A 472 -2.348 3.224 -11.663 1.00 10.00 N ATOM 996 CA LEU A 472 -3.621 2.675 -12.119 1.00 10.00 C ATOM 997 C LEU A 472 -4.769 3.450 -11.483 1.00 10.00 C ATOM 998 O LEU A 472 -5.843 3.587 -12.066 1.00 10.00 O ATOM 999 CB LEU A 472 -3.738 1.192 -11.762 1.00 10.00 C ATOM 1000 CG LEU A 472 -2.439 0.398 -11.856 1.00 10.00 C ATOM 1001 CD1 LEU A 472 -1.696 0.442 -10.531 1.00 10.00 C ATOM 1002 CD2 LEU A 472 -2.721 -1.039 -12.269 1.00 10.00 C ATOM 0 H LEU A 472 -1.979 2.790 -10.817 1.00 10.00 H new ATOM 0 HA LEU A 472 -3.669 2.770 -13.204 1.00 10.00 H new ATOM 0 HB2 LEU A 472 -4.124 1.108 -10.746 1.00 10.00 H new ATOM 0 HB3 LEU A 472 -4.475 0.733 -12.421 1.00 10.00 H new ATOM 0 HG LEU A 472 -1.807 0.853 -12.619 1.00 10.00 H new ATOM 0 HD11 LEU A 472 -0.771 -0.129 -10.613 1.00 10.00 H new ATOM 0 HD12 LEU A 472 -1.463 1.476 -10.279 1.00 10.00 H new ATOM 0 HD13 LEU A 472 -2.321 0.010 -9.749 1.00 10.00 H new ATOM 0 HD21 LEU A 472 -1.783 -1.591 -12.331 1.00 10.00 H new ATOM 0 HD22 LEU A 472 -3.370 -1.509 -11.530 1.00 10.00 H new ATOM 0 HD23 LEU A 472 -3.212 -1.048 -13.242 1.00 10.00 H new ATOM 1014 N THR A 473 -4.519 3.964 -10.280 1.00 10.00 N ATOM 1015 CA THR A 473 -5.513 4.738 -9.551 1.00 10.00 C ATOM 1016 C THR A 473 -5.703 6.102 -10.201 1.00 10.00 C ATOM 1017 O THR A 473 -6.812 6.635 -10.240 1.00 10.00 O ATOM 1018 CB THR A 473 -5.081 4.910 -8.090 1.00 10.00 C ATOM 1019 OG1 THR A 473 -3.939 5.743 -7.999 1.00 10.00 O ATOM 1020 CG2 THR A 473 -4.752 3.602 -7.400 1.00 10.00 C ATOM 0 H THR A 473 -3.631 3.856 -9.790 1.00 10.00 H new ATOM 0 HA THR A 473 -6.461 4.201 -9.579 1.00 10.00 H new ATOM 0 HB THR A 473 -5.939 5.358 -7.589 1.00 10.00 H new ATOM 0 HG1 THR A 473 -4.134 6.503 -7.412 1.00 10.00 H new ATOM 0 HG21 THR A 473 -4.454 3.799 -6.370 1.00 10.00 H new ATOM 0 HG22 THR A 473 -5.630 2.956 -7.407 1.00 10.00 H new ATOM 0 HG23 THR A 473 -3.935 3.109 -7.926 1.00 10.00 H new ATOM 1028 N LYS A 474 -4.610 6.663 -10.708 1.00 10.00 N ATOM 1029 CA LYS A 474 -4.651 7.968 -11.355 1.00 10.00 C ATOM 1030 C LYS A 474 -5.034 7.841 -12.828 1.00 10.00 C ATOM 1031 O LYS A 474 -5.535 8.789 -13.430 1.00 10.00 O ATOM 1032 CB LYS A 474 -3.297 8.669 -11.220 1.00 10.00 C ATOM 1033 CG LYS A 474 -2.144 7.910 -11.859 1.00 10.00 C ATOM 1034 CD LYS A 474 -2.158 8.050 -13.371 1.00 10.00 C ATOM 1035 CE LYS A 474 -0.770 8.344 -13.919 1.00 10.00 C ATOM 1036 NZ LYS A 474 -0.784 8.533 -15.396 1.00 10.00 N ATOM 0 H LYS A 474 -3.685 6.234 -10.683 1.00 10.00 H new ATOM 0 HA LYS A 474 -5.413 8.568 -10.857 1.00 10.00 H new ATOM 0 HB2 LYS A 474 -3.364 9.658 -11.674 1.00 10.00 H new ATOM 0 HB3 LYS A 474 -3.080 8.818 -10.162 1.00 10.00 H new ATOM 0 HG2 LYS A 474 -1.198 8.284 -11.466 1.00 10.00 H new ATOM 0 HG3 LYS A 474 -2.207 6.856 -11.589 1.00 10.00 H new ATOM 0 HD2 LYS A 474 -2.540 7.132 -13.818 1.00 10.00 H new ATOM 0 HD3 LYS A 474 -2.840 8.851 -13.656 1.00 10.00 H new ATOM 0 HE2 LYS A 474 -0.374 9.241 -13.442 1.00 10.00 H new ATOM 0 HE3 LYS A 474 -0.098 7.524 -13.664 1.00 10.00 H new ATOM 0 HZ1 LYS A 474 0.181 8.731 -15.730 1.00 10.00 H new ATOM 0 HZ2 LYS A 474 -1.138 7.669 -15.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 474 -1.405 9.331 -15.638 1.00 10.00 H new ATOM 1050 N LYS A 475 -4.795 6.666 -13.403 1.00 10.00 N ATOM 1051 CA LYS A 475 -5.118 6.426 -14.805 1.00 10.00 C ATOM 1052 C LYS A 475 -6.604 6.645 -15.071 1.00 10.00 C ATOM 1053 O LYS A 475 -7.001 6.993 -16.183 1.00 10.00 O ATOM 1054 CB LYS A 475 -4.721 5.003 -15.203 1.00 10.00 C ATOM 1055 CG LYS A 475 -5.002 4.679 -16.662 1.00 10.00 C ATOM 1056 CD LYS A 475 -5.040 3.178 -16.900 1.00 10.00 C ATOM 1057 CE LYS A 475 -3.670 2.640 -17.280 1.00 10.00 C ATOM 1058 NZ LYS A 475 -3.737 1.226 -17.744 1.00 10.00 N ATOM 0 H LYS A 475 -4.380 5.868 -12.922 1.00 10.00 H new ATOM 0 HA LYS A 475 -4.554 7.138 -15.408 1.00 10.00 H new ATOM 0 HB2 LYS A 475 -3.658 4.863 -15.006 1.00 10.00 H new ATOM 0 HB3 LYS A 475 -5.258 4.295 -14.572 1.00 10.00 H new ATOM 0 HG2 LYS A 475 -5.954 5.120 -16.957 1.00 10.00 H new ATOM 0 HG3 LYS A 475 -4.234 5.129 -17.291 1.00 10.00 H new ATOM 0 HD2 LYS A 475 -5.393 2.675 -16.000 1.00 10.00 H new ATOM 0 HD3 LYS A 475 -5.754 2.952 -17.692 1.00 10.00 H new ATOM 0 HE2 LYS A 475 -3.242 3.260 -18.067 1.00 10.00 H new ATOM 0 HE3 LYS A 475 -3.002 2.709 -16.421 1.00 10.00 H new ATOM 0 HZ1 LYS A 475 -2.783 0.897 -17.993 1.00 10.00 H new ATOM 0 HZ2 LYS A 475 -4.121 0.629 -16.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 475 -4.354 1.163 -18.579 1.00 10.00 H new ATOM 1072 N ASN A 476 -7.425 6.432 -14.046 1.00 10.00 N ATOM 1073 CA ASN A 476 -8.870 6.602 -14.177 1.00 10.00 C ATOM 1074 C ASN A 476 -9.404 7.668 -13.221 1.00 10.00 C ATOM 1075 O ASN A 476 -10.520 8.159 -13.393 1.00 10.00 O ATOM 1076 CB ASN A 476 -9.582 5.273 -13.919 1.00 10.00 C ATOM 1077 CG ASN A 476 -10.772 5.067 -14.836 1.00 10.00 C ATOM 1078 OD1 ASN A 476 -11.647 5.926 -14.938 1.00 10.00 O ATOM 1079 ND2 ASN A 476 -10.810 3.923 -15.508 1.00 10.00 N ATOM 0 H ASN A 476 -7.116 6.142 -13.118 1.00 10.00 H new ATOM 0 HA ASN A 476 -9.071 6.934 -15.196 1.00 10.00 H new ATOM 0 HB2 ASN A 476 -8.876 4.454 -14.055 1.00 10.00 H new ATOM 0 HB3 ASN A 476 -9.916 5.238 -12.882 1.00 10.00 H new ATOM 0 HD21 ASN A 476 -11.587 3.728 -16.140 1.00 10.00 H new ATOM 0 HD22 ASN A 476 -10.062 3.239 -15.393 1.00 10.00 H new ATOM 1086 N GLU A 477 -8.612 8.025 -12.212 1.00 10.00 N ATOM 1087 CA GLU A 477 -9.027 9.031 -11.239 1.00 10.00 C ATOM 1088 C GLU A 477 -8.337 10.368 -11.497 1.00 10.00 C ATOM 1089 O GLU A 477 -8.838 11.420 -11.100 1.00 10.00 O ATOM 1090 CB GLU A 477 -8.720 8.554 -9.820 1.00 10.00 C ATOM 1091 CG GLU A 477 -9.587 9.208 -8.757 1.00 10.00 C ATOM 1092 CD GLU A 477 -10.785 8.359 -8.379 1.00 10.00 C ATOM 1093 OE1 GLU A 477 -11.162 7.474 -9.175 1.00 10.00 O ATOM 1094 OE2 GLU A 477 -11.347 8.579 -7.285 1.00 10.00 O ATOM 0 H GLU A 477 -7.684 7.634 -12.048 1.00 10.00 H new ATOM 0 HA GLU A 477 -10.102 9.175 -11.346 1.00 10.00 H new ATOM 0 HB2 GLU A 477 -8.854 7.473 -9.772 1.00 10.00 H new ATOM 0 HB3 GLU A 477 -7.672 8.755 -9.597 1.00 10.00 H new ATOM 0 HG2 GLU A 477 -8.985 9.397 -7.868 1.00 10.00 H new ATOM 0 HG3 GLU A 477 -9.932 10.176 -9.120 1.00 10.00 H new ATOM 1101 N ASN A 478 -7.188 10.322 -12.162 1.00 10.00 N ATOM 1102 CA ASN A 478 -6.434 11.532 -12.466 1.00 10.00 C ATOM 1103 C ASN A 478 -6.034 12.257 -11.185 1.00 10.00 C ATOM 1104 O ASN A 478 -6.661 13.242 -10.795 1.00 10.00 O ATOM 1105 CB ASN A 478 -7.259 12.464 -13.357 1.00 10.00 C ATOM 1106 CG ASN A 478 -7.346 11.968 -14.787 1.00 10.00 C ATOM 1107 OD1 ASN A 478 -6.340 11.595 -15.390 1.00 10.00 O ATOM 1108 ND2 ASN A 478 -8.555 11.961 -15.339 1.00 10.00 N ATOM 0 H ASN A 478 -6.759 9.461 -12.500 1.00 10.00 H new ATOM 0 HA ASN A 478 -5.528 11.242 -12.998 1.00 10.00 H new ATOM 0 HB2 ASN A 478 -8.264 12.559 -12.946 1.00 10.00 H new ATOM 0 HB3 ASN A 478 -6.815 13.459 -13.347 1.00 10.00 H new ATOM 0 HD21 ASN A 478 -8.676 11.638 -16.299 1.00 10.00 H new ATOM 0 HD22 ASN A 478 -9.362 12.279 -14.803 1.00 10.00 H new ATOM 1115 N TYR A 479 -4.989 11.760 -10.531 1.00 10.00 N ATOM 1116 CA TYR A 479 -4.508 12.357 -9.293 1.00 10.00 C ATOM 1117 C TYR A 479 -3.090 11.889 -8.974 1.00 10.00 C ATOM 1118 O TYR A 479 -2.829 10.690 -8.875 1.00 10.00 O ATOM 1119 CB TYR A 479 -5.456 12.013 -8.138 1.00 10.00 C ATOM 1120 CG TYR A 479 -5.209 10.653 -7.518 1.00 10.00 C ATOM 1121 CD1 TYR A 479 -5.492 9.483 -8.217 1.00 10.00 C ATOM 1122 CD2 TYR A 479 -4.693 10.541 -6.234 1.00 10.00 C ATOM 1123 CE1 TYR A 479 -5.268 8.242 -7.648 1.00 10.00 C ATOM 1124 CE2 TYR A 479 -4.465 9.305 -5.661 1.00 10.00 C ATOM 1125 CZ TYR A 479 -4.755 8.159 -6.370 1.00 10.00 C ATOM 1126 OH TYR A 479 -4.531 6.926 -5.802 1.00 10.00 O ATOM 0 H TYR A 479 -4.460 10.944 -10.839 1.00 10.00 H new ATOM 0 HA TYR A 479 -4.485 13.439 -9.422 1.00 10.00 H new ATOM 0 HB2 TYR A 479 -5.361 12.775 -7.365 1.00 10.00 H new ATOM 0 HB3 TYR A 479 -6.483 12.054 -8.501 1.00 10.00 H new ATOM 0 HD1 TYR A 479 -5.892 9.545 -9.218 1.00 10.00 H new ATOM 0 HD2 TYR A 479 -4.466 11.436 -5.673 1.00 10.00 H new ATOM 0 HE1 TYR A 479 -5.494 7.343 -8.202 1.00 10.00 H new ATOM 0 HE2 TYR A 479 -4.061 9.237 -4.662 1.00 10.00 H new ATOM 0 HH TYR A 479 -4.167 7.043 -4.900 1.00 10.00 H new ATOM 1136 N LYS A 480 -2.181 12.842 -8.814 1.00 10.00 N ATOM 1137 CA LYS A 480 -0.792 12.528 -8.504 1.00 10.00 C ATOM 1138 C LYS A 480 -0.214 13.540 -7.519 1.00 10.00 C ATOM 1139 O LYS A 480 0.571 13.127 -6.639 1.00 10.00 O ATOM 1140 CB LYS A 480 0.046 12.505 -9.783 1.00 10.00 C ATOM 1141 CG LYS A 480 1.516 12.199 -9.545 1.00 10.00 C ATOM 1142 CD LYS A 480 2.300 12.186 -10.846 1.00 10.00 C ATOM 1143 CE LYS A 480 2.951 13.533 -11.118 1.00 10.00 C ATOM 1144 NZ LYS A 480 2.924 13.882 -12.566 1.00 10.00 N ATOM 1145 OXT LYS A 480 -0.550 14.737 -7.636 1.00 10.00 O ATOM 0 H LYS A 480 -2.380 13.839 -8.894 1.00 10.00 H new ATOM 0 HA LYS A 480 -0.762 11.541 -8.043 1.00 10.00 H new ATOM 0 HB2 LYS A 480 -0.366 11.759 -10.463 1.00 10.00 H new ATOM 0 HB3 LYS A 480 -0.039 13.471 -10.280 1.00 10.00 H new ATOM 0 HG2 LYS A 480 1.939 12.944 -8.871 1.00 10.00 H new ATOM 0 HG3 LYS A 480 1.612 11.232 -9.051 1.00 10.00 H new ATOM 0 HD2 LYS A 480 3.067 11.412 -10.802 1.00 10.00 H new ATOM 0 HD3 LYS A 480 1.635 11.929 -11.670 1.00 10.00 H new ATOM 0 HE2 LYS A 480 2.436 14.307 -10.549 1.00 10.00 H new ATOM 0 HE3 LYS A 480 3.983 13.514 -10.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 480 3.377 14.807 -12.709 1.00 10.00 H new ATOM 0 HZ2 LYS A 480 3.438 13.158 -13.107 1.00 10.00 H new ATOM 0 HZ3 LYS A 480 1.938 13.925 -12.894 1.00 10.00 H new TER 1159 LYS A 480