USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 776 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 NoAdj-H: A 65 GLU H : A 65 GLU N : A 12 GLU OE1 :(H bumps) USER MOD Set 1.1: A 88 HIS : no HD1:sc= -19.2! C(o=-19!,f=-18!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 101 TYR OH : rot -41:sc= 0.256 USER MOD Set 2.1: A 21 MET CE :methyl 169:sc=-0.000575 (180deg=0) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -47.6! C(o=-48!,f=-46!) USER MOD Set 3.1: A 41 MET CE :methyl -156:sc= -4.41! (180deg=-5.85!) USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl 178:sc= -23.3! (180deg=-23.3!) USER MOD Set 4.2: A 80 MET CE :methyl 154:sc= -8.42! (180deg=-10.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= 0 USER MOD Single : A 22 SER OG : rot 57:sc= -7.72! USER MOD Single : A 29 GLN : amide:sc= -0.566 K(o=-0.57,f=-3.6!) USER MOD Single : A 33 SER OG : rot -85:sc= 0.567 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -6.01! C(o=-6!,f=-8.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 63 HIS : no HE2:sc= -31.1! C(o=-31!,f=-21!) USER MOD Single : A 68 LYS NZ :NH3+ 138:sc= 1.24 (180deg=-0.0611) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -1:sc= -8.19! USER MOD Single : A 78 SER OG : rot -55:sc= -0.703! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -17.9! (180deg=-22.1!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -13:sc= 1.87! USER MOD Single : A 96 SER OG : rot 5:sc= 1.17 USER MOD Single : A 98 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 99 CYS SG : rot -48:sc= 2.01 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 -0.418 11.640 -9.746 1.00 0.00 N ATOM 2 CA GLU A 12 -0.037 10.353 -9.197 1.00 0.00 C ATOM 3 C GLU A 12 0.829 10.551 -7.962 1.00 0.00 C ATOM 4 O GLU A 12 1.619 11.491 -7.898 1.00 0.00 O ATOM 5 CB GLU A 12 0.711 9.551 -10.259 1.00 0.00 C ATOM 6 CG GLU A 12 1.156 8.217 -9.668 1.00 0.00 C ATOM 7 CD GLU A 12 0.167 7.112 -10.015 1.00 0.00 C ATOM 8 OE1 GLU A 12 0.638 6.064 -10.506 1.00 0.00 O ATOM 9 OE2 GLU A 12 -1.040 7.338 -9.782 1.00 0.00 O ATOM 0 HA GLU A 12 -0.930 9.801 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.068 9.382 -11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.577 10.112 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.144 7.958 -10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.243 8.305 -8.585 1.00 0.00 H new ATOM 17 N ALA A 13 0.680 9.661 -6.978 1.00 0.00 N ATOM 18 CA ALA A 13 1.446 9.741 -5.751 1.00 0.00 C ATOM 19 C ALA A 13 2.899 10.064 -6.071 1.00 0.00 C ATOM 20 O ALA A 13 3.317 9.978 -7.224 1.00 0.00 O ATOM 21 CB ALA A 13 1.339 8.419 -4.998 1.00 0.00 C ATOM 0 H ALA A 13 0.030 8.876 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 13 1.048 10.536 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.915 8.479 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.294 8.219 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.731 7.614 -5.619 1.00 0.00 H new ATOM 27 N PRO A 14 3.669 10.436 -5.046 1.00 0.00 N ATOM 28 CA PRO A 14 5.071 10.778 -5.161 1.00 0.00 C ATOM 29 C PRO A 14 5.886 9.517 -5.407 1.00 0.00 C ATOM 30 O PRO A 14 7.113 9.568 -5.455 1.00 0.00 O ATOM 31 CB PRO A 14 5.431 11.409 -3.818 1.00 0.00 C ATOM 32 CG PRO A 14 4.483 10.705 -2.848 1.00 0.00 C ATOM 33 CD PRO A 14 3.211 10.548 -3.678 1.00 0.00 C ATOM 0 HA PRO A 14 5.276 11.456 -5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.476 11.238 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.276 12.488 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.877 9.742 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.310 11.297 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.649 9.664 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.549 11.405 -3.552 1.00 0.00 H new ATOM 41 N LEU A 15 5.200 8.381 -5.562 1.00 0.00 N ATOM 42 CA LEU A 15 5.862 7.114 -5.800 1.00 0.00 C ATOM 43 C LEU A 15 5.594 6.652 -7.225 1.00 0.00 C ATOM 44 O LEU A 15 5.043 7.399 -8.030 1.00 0.00 O ATOM 45 CB LEU A 15 5.361 6.082 -4.794 1.00 0.00 C ATOM 46 CG LEU A 15 4.640 6.794 -3.653 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.605 5.854 -3.040 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.652 7.200 -2.586 1.00 0.00 C ATOM 0 H LEU A 15 4.182 8.323 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 15 6.938 7.232 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.686 5.379 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.198 5.502 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 15 4.141 7.683 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.090 6.362 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.881 5.563 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.104 4.965 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.137 7.709 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.151 6.311 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.392 7.871 -3.023 1.00 0.00 H new ATOM 60 N THR A 16 5.986 5.414 -7.537 1.00 0.00 N ATOM 61 CA THR A 16 5.784 4.863 -8.862 1.00 0.00 C ATOM 62 C THR A 16 5.622 3.352 -8.776 1.00 0.00 C ATOM 63 O THR A 16 4.681 2.793 -9.335 1.00 0.00 O ATOM 64 CB THR A 16 6.970 5.229 -9.750 1.00 0.00 C ATOM 65 OG1 THR A 16 7.494 6.474 -9.344 1.00 0.00 O ATOM 66 CG2 THR A 16 6.509 5.321 -11.202 1.00 0.00 C ATOM 0 H THR A 16 6.445 4.780 -6.883 1.00 0.00 H new ATOM 0 HA THR A 16 4.876 5.281 -9.298 1.00 0.00 H new ATOM 0 HB THR A 16 7.741 4.463 -9.661 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.257 6.709 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.356 5.582 -11.837 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.103 4.360 -11.516 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.739 6.087 -11.291 1.00 0.00 H new ATOM 74 N VAL A 17 6.544 2.692 -8.071 1.00 0.00 N ATOM 75 CA VAL A 17 6.500 1.252 -7.914 1.00 0.00 C ATOM 76 C VAL A 17 7.821 0.755 -7.345 1.00 0.00 C ATOM 77 O VAL A 17 7.853 -0.233 -6.616 1.00 0.00 O ATOM 78 CB VAL A 17 6.214 0.602 -9.265 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.162 -0.575 -9.474 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.772 0.105 -9.295 1.00 0.00 C ATOM 0 H VAL A 17 7.330 3.142 -7.601 1.00 0.00 H new ATOM 0 HA VAL A 17 5.704 0.982 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 17 6.363 1.334 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.958 -1.040 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.192 -0.220 -9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.014 -1.307 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.567 -0.359 -10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.623 -0.627 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.094 0.946 -9.146 1.00 0.00 H new ATOM 90 N LYS A 18 8.914 1.445 -7.680 1.00 0.00 N ATOM 91 CA LYS A 18 10.229 1.070 -7.201 1.00 0.00 C ATOM 92 C LYS A 18 10.549 1.827 -5.920 1.00 0.00 C ATOM 93 O LYS A 18 11.517 1.509 -5.232 1.00 0.00 O ATOM 94 CB LYS A 18 11.267 1.370 -8.279 1.00 0.00 C ATOM 95 CG LYS A 18 10.976 0.522 -9.514 1.00 0.00 C ATOM 96 CD LYS A 18 12.159 0.599 -10.475 1.00 0.00 C ATOM 97 CE LYS A 18 11.654 0.514 -11.912 1.00 0.00 C ATOM 98 NZ LYS A 18 12.772 0.550 -12.868 1.00 0.00 N ATOM 0 H LYS A 18 8.905 2.267 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 18 10.248 0.002 -6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.243 2.429 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.268 1.156 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.797 -0.513 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.070 0.876 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.703 1.531 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.857 -0.214 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.085 -0.406 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.974 1.342 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.401 0.491 -13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.299 1.439 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.407 -0.254 -12.690 1.00 0.00 H new ATOM 112 N SER A 19 9.732 2.833 -5.600 1.00 0.00 N ATOM 113 CA SER A 19 9.931 3.628 -4.405 1.00 0.00 C ATOM 114 C SER A 19 10.287 2.722 -3.235 1.00 0.00 C ATOM 115 O SER A 19 9.671 1.675 -3.048 1.00 0.00 O ATOM 116 CB SER A 19 8.663 4.424 -4.107 1.00 0.00 C ATOM 117 OG SER A 19 8.810 5.740 -4.590 1.00 0.00 O ATOM 0 H SER A 19 8.926 3.110 -6.160 1.00 0.00 H new ATOM 0 HA SER A 19 10.754 4.326 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.803 3.947 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.473 4.438 -3.034 1.00 0.00 H new ATOM 0 HG SER A 19 8.285 6.353 -4.034 1.00 0.00 H new ATOM 123 N ASP A 20 11.283 3.128 -2.445 1.00 0.00 N ATOM 124 CA ASP A 20 11.715 2.353 -1.300 1.00 0.00 C ATOM 125 C ASP A 20 10.504 1.757 -0.595 1.00 0.00 C ATOM 126 O ASP A 20 9.668 2.488 -0.070 1.00 0.00 O ATOM 127 CB ASP A 20 12.507 3.248 -0.350 1.00 0.00 C ATOM 128 CG ASP A 20 13.912 2.703 -0.135 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.864 3.443 -0.464 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.007 1.557 0.355 1.00 0.00 O ATOM 0 H ASP A 20 11.802 3.995 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 20 12.358 1.537 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.563 4.258 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.989 3.318 0.607 1.00 0.00 H new ATOM 136 N MET A 21 10.411 0.425 -0.586 1.00 0.00 N ATOM 137 CA MET A 21 9.303 -0.257 0.052 1.00 0.00 C ATOM 138 C MET A 21 9.017 0.374 1.407 1.00 0.00 C ATOM 139 O MET A 21 7.880 0.359 1.874 1.00 0.00 O ATOM 140 CB MET A 21 9.640 -1.737 0.206 1.00 0.00 C ATOM 141 CG MET A 21 10.797 -1.896 1.189 1.00 0.00 C ATOM 142 SD MET A 21 11.999 -3.161 0.709 1.00 0.00 S ATOM 143 CE MET A 21 13.276 -2.093 0.000 1.00 0.00 C ATOM 0 H MET A 21 11.096 -0.196 -1.017 1.00 0.00 H new ATOM 0 HA MET A 21 8.410 -0.162 -0.565 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.768 -2.284 0.563 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.909 -2.162 -0.761 1.00 0.00 H new ATOM 0 HG2 MET A 21 11.311 -0.940 1.288 1.00 0.00 H new ATOM 0 HG3 MET A 21 10.395 -2.145 2.171 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.181 -2.674 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.922 -1.681 -0.945 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.495 -1.279 0.691 1.00 0.00 H new ATOM 153 N SER A 22 10.053 0.931 2.038 1.00 0.00 N ATOM 154 CA SER A 22 9.907 1.564 3.333 1.00 0.00 C ATOM 155 C SER A 22 9.102 2.848 3.193 1.00 0.00 C ATOM 156 O SER A 22 8.253 3.146 4.030 1.00 0.00 O ATOM 157 CB SER A 22 11.288 1.853 3.915 1.00 0.00 C ATOM 158 OG SER A 22 11.286 1.564 5.295 1.00 0.00 O ATOM 0 H SER A 22 11.002 0.952 1.664 1.00 0.00 H new ATOM 0 HA SER A 22 9.373 0.897 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.042 1.251 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.552 2.898 3.752 1.00 0.00 H new ATOM 0 HG SER A 22 11.024 0.630 5.433 1.00 0.00 H new ATOM 164 N ALA A 23 9.369 3.608 2.128 1.00 0.00 N ATOM 165 CA ALA A 23 8.670 4.854 1.884 1.00 0.00 C ATOM 166 C ALA A 23 7.220 4.568 1.519 1.00 0.00 C ATOM 167 O ALA A 23 6.330 5.348 1.849 1.00 0.00 O ATOM 168 CB ALA A 23 9.370 5.617 0.762 1.00 0.00 C ATOM 0 H ALA A 23 10.068 3.374 1.424 1.00 0.00 H new ATOM 0 HA ALA A 23 8.683 5.467 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.845 6.554 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.399 5.828 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.366 5.014 -0.146 1.00 0.00 H new ATOM 174 N ILE A 24 6.985 3.445 0.836 1.00 0.00 N ATOM 175 CA ILE A 24 5.648 3.061 0.431 1.00 0.00 C ATOM 176 C ILE A 24 4.792 2.798 1.662 1.00 0.00 C ATOM 177 O ILE A 24 3.735 3.402 1.825 1.00 0.00 O ATOM 178 CB ILE A 24 5.722 1.818 -0.453 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.382 2.176 -1.781 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.313 1.293 -0.710 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.675 3.383 -2.392 1.00 0.00 C ATOM 0 H ILE A 24 7.713 2.789 0.555 1.00 0.00 H new ATOM 0 HA ILE A 24 5.190 3.869 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 24 6.310 1.050 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.438 2.399 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.333 1.328 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.365 0.406 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.842 1.037 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.724 2.061 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.146 3.639 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.625 3.143 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.748 4.231 -1.711 1.00 0.00 H new ATOM 193 N VAL A 25 5.253 1.894 2.529 1.00 0.00 N ATOM 194 CA VAL A 25 4.530 1.556 3.739 1.00 0.00 C ATOM 195 C VAL A 25 4.333 2.805 4.586 1.00 0.00 C ATOM 196 O VAL A 25 3.278 2.989 5.189 1.00 0.00 O ATOM 197 CB VAL A 25 5.304 0.493 4.513 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.421 -0.071 5.623 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.710 -0.631 3.565 1.00 0.00 C ATOM 0 H VAL A 25 6.129 1.385 2.407 1.00 0.00 H new ATOM 0 HA VAL A 25 3.549 1.156 3.483 1.00 0.00 H new ATOM 0 HB VAL A 25 6.197 0.939 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.973 -0.831 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.130 0.732 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.528 -0.518 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.263 -1.391 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.817 -1.078 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.340 -0.228 2.772 1.00 0.00 H new ATOM 209 N ARG A 26 5.354 3.665 4.631 1.00 0.00 N ATOM 210 CA ARG A 26 5.289 4.890 5.403 1.00 0.00 C ATOM 211 C ARG A 26 4.126 5.744 4.918 1.00 0.00 C ATOM 212 O ARG A 26 3.361 6.270 5.724 1.00 0.00 O ATOM 213 CB ARG A 26 6.607 5.645 5.268 1.00 0.00 C ATOM 214 CG ARG A 26 7.219 5.853 6.651 1.00 0.00 C ATOM 215 CD ARG A 26 8.018 4.614 7.045 1.00 0.00 C ATOM 216 NE ARG A 26 9.332 4.982 7.571 1.00 0.00 N ATOM 217 CZ ARG A 26 9.498 5.573 8.762 1.00 0.00 C ATOM 218 NH1 ARG A 26 8.433 5.849 9.527 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.728 5.888 9.190 1.00 0.00 N ATOM 0 H ARG A 26 6.235 3.527 4.137 1.00 0.00 H new ATOM 0 HA ARG A 26 5.127 4.654 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.295 5.086 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.439 6.607 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.866 6.730 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.434 6.041 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.468 4.046 7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.138 3.964 6.178 1.00 0.00 H new ATOM 0 HE ARG A 26 10.158 4.780 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.496 5.609 9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.559 6.299 10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.540 5.678 8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.853 6.338 10.097 1.00 0.00 H new ATOM 233 N VAL A 27 3.994 5.880 3.596 1.00 0.00 N ATOM 234 CA VAL A 27 2.927 6.668 3.012 1.00 0.00 C ATOM 235 C VAL A 27 1.579 6.123 3.461 1.00 0.00 C ATOM 236 O VAL A 27 0.816 6.820 4.125 1.00 0.00 O ATOM 237 CB VAL A 27 3.046 6.633 1.491 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.985 7.542 0.877 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.432 7.118 1.078 1.00 0.00 C ATOM 0 H VAL A 27 4.620 5.450 2.915 1.00 0.00 H new ATOM 0 HA VAL A 27 3.007 7.702 3.346 1.00 0.00 H new ATOM 0 HB VAL A 27 2.898 5.612 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.069 7.518 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.994 7.196 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.132 8.563 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.517 7.093 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.580 8.139 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.190 6.469 1.516 1.00 0.00 H new ATOM 249 N MET A 28 1.287 4.871 3.098 1.00 0.00 N ATOM 250 CA MET A 28 0.034 4.244 3.464 1.00 0.00 C ATOM 251 C MET A 28 -0.215 4.416 4.956 1.00 0.00 C ATOM 252 O MET A 28 -1.360 4.516 5.390 1.00 0.00 O ATOM 253 CB MET A 28 0.079 2.765 3.092 1.00 0.00 C ATOM 254 CG MET A 28 0.500 2.620 1.632 1.00 0.00 C ATOM 255 SD MET A 28 1.786 1.377 1.358 1.00 0.00 S ATOM 256 CE MET A 28 0.976 -0.051 2.119 1.00 0.00 C ATOM 0 H MET A 28 1.910 4.278 2.549 1.00 0.00 H new ATOM 0 HA MET A 28 -0.785 4.718 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.781 2.238 3.738 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.900 2.310 3.246 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.375 2.360 1.036 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.858 3.584 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.612 -0.930 2.013 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.806 0.148 3.177 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.021 -0.233 1.626 1.00 0.00 H new ATOM 266 N GLN A 29 0.864 4.450 5.742 1.00 0.00 N ATOM 267 CA GLN A 29 0.758 4.609 7.178 1.00 0.00 C ATOM 268 C GLN A 29 0.188 5.982 7.506 1.00 0.00 C ATOM 269 O GLN A 29 -0.720 6.100 8.326 1.00 0.00 O ATOM 270 CB GLN A 29 2.135 4.430 7.811 1.00 0.00 C ATOM 271 CG GLN A 29 2.309 2.980 8.252 1.00 0.00 C ATOM 272 CD GLN A 29 3.710 2.743 8.798 1.00 0.00 C ATOM 273 OE1 GLN A 29 4.382 1.794 8.397 1.00 0.00 O ATOM 274 NE2 GLN A 29 4.150 3.608 9.715 1.00 0.00 N ATOM 0 H GLN A 29 1.821 4.368 5.398 1.00 0.00 H new ATOM 0 HA GLN A 29 0.085 3.853 7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.913 4.700 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.243 5.097 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.571 2.737 9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.126 2.315 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.554 4.380 10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.082 3.497 10.115 1.00 0.00 H new ATOM 283 N LEU A 30 0.723 7.021 6.861 1.00 0.00 N ATOM 284 CA LEU A 30 0.266 8.378 7.086 1.00 0.00 C ATOM 285 C LEU A 30 -1.247 8.393 7.250 1.00 0.00 C ATOM 286 O LEU A 30 -1.959 7.698 6.529 1.00 0.00 O ATOM 287 CB LEU A 30 0.691 9.258 5.913 1.00 0.00 C ATOM 288 CG LEU A 30 2.210 9.398 5.907 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.637 10.268 4.728 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.666 10.048 7.211 1.00 0.00 C ATOM 0 H LEU A 30 1.476 6.939 6.178 1.00 0.00 H new ATOM 0 HA LEU A 30 0.714 8.770 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.352 8.820 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.225 10.240 5.994 1.00 0.00 H new ATOM 0 HG LEU A 30 2.665 8.412 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.722 10.368 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.312 9.804 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.182 11.254 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.751 10.148 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.211 11.034 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.362 9.426 8.053 1.00 0.00 H new ATOM 302 N PRO A 31 -1.737 9.189 8.203 1.00 0.00 N ATOM 303 CA PRO A 31 -3.146 9.333 8.501 1.00 0.00 C ATOM 304 C PRO A 31 -3.824 10.125 7.392 1.00 0.00 C ATOM 305 O PRO A 31 -5.025 10.377 7.451 1.00 0.00 O ATOM 306 CB PRO A 31 -3.190 10.096 9.823 1.00 0.00 C ATOM 307 CG PRO A 31 -1.922 10.946 9.766 1.00 0.00 C ATOM 308 CD PRO A 31 -0.929 10.020 9.069 1.00 0.00 C ATOM 0 HA PRO A 31 -3.665 8.377 8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.086 10.711 9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.187 9.422 10.679 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.077 11.868 9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.580 11.231 10.761 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.194 10.587 8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.377 9.418 9.791 1.00 0.00 H new ATOM 316 N ASP A 32 -3.050 10.518 6.378 1.00 0.00 N ATOM 317 CA ASP A 32 -3.578 11.280 5.264 1.00 0.00 C ATOM 318 C ASP A 32 -2.931 10.814 3.968 1.00 0.00 C ATOM 319 O ASP A 32 -2.494 11.631 3.161 1.00 0.00 O ATOM 320 CB ASP A 32 -3.316 12.766 5.495 1.00 0.00 C ATOM 321 CG ASP A 32 -4.385 13.373 6.394 1.00 0.00 C ATOM 322 OD1 ASP A 32 -5.275 12.604 6.816 1.00 0.00 O ATOM 323 OD2 ASP A 32 -4.291 14.594 6.642 1.00 0.00 O ATOM 0 H ASP A 32 -2.052 10.316 6.313 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.654 11.122 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.334 12.900 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.299 13.289 4.539 1.00 0.00 H new ATOM 329 N SER A 33 -2.869 9.495 3.770 1.00 0.00 N ATOM 330 CA SER A 33 -2.277 8.930 2.575 1.00 0.00 C ATOM 331 C SER A 33 -3.372 8.456 1.630 1.00 0.00 C ATOM 332 O SER A 33 -3.394 8.835 0.461 1.00 0.00 O ATOM 333 CB SER A 33 -1.358 7.774 2.961 1.00 0.00 C ATOM 334 OG SER A 33 -1.803 7.205 4.172 1.00 0.00 O ATOM 0 H SER A 33 -3.225 8.804 4.430 1.00 0.00 H new ATOM 0 HA SER A 33 -1.688 9.690 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.353 7.021 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.333 8.130 3.069 1.00 0.00 H new ATOM 0 HG SER A 33 -1.434 7.710 4.926 1.00 0.00 H new ATOM 340 N GLY A 34 -4.285 7.625 2.139 1.00 0.00 N ATOM 341 CA GLY A 34 -5.375 7.108 1.336 1.00 0.00 C ATOM 342 C GLY A 34 -5.836 5.762 1.877 1.00 0.00 C ATOM 343 O GLY A 34 -7.031 5.475 1.900 1.00 0.00 O ATOM 0 H GLY A 34 -4.283 7.301 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.206 7.814 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.054 7.001 0.300 1.00 0.00 H new ATOM 347 N LEU A 35 -4.883 4.934 2.312 1.00 0.00 N ATOM 348 CA LEU A 35 -5.194 3.624 2.849 1.00 0.00 C ATOM 349 C LEU A 35 -5.406 3.720 4.353 1.00 0.00 C ATOM 350 O LEU A 35 -6.452 3.324 4.861 1.00 0.00 O ATOM 351 CB LEU A 35 -4.058 2.659 2.524 1.00 0.00 C ATOM 352 CG LEU A 35 -4.255 1.361 3.301 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.686 0.867 3.111 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.280 0.306 2.786 1.00 0.00 C ATOM 0 H LEU A 35 -3.888 5.157 2.299 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.112 3.250 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.035 2.455 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.099 3.109 2.783 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.070 1.540 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.827 -0.060 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.383 1.620 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.872 0.688 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.421 -0.621 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.464 0.126 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.258 0.658 2.922 1.00 0.00 H new ATOM 366 N GLU A 36 -4.408 4.248 5.066 1.00 0.00 N ATOM 367 CA GLU A 36 -4.494 4.392 6.506 1.00 0.00 C ATOM 368 C GLU A 36 -4.481 3.021 7.167 1.00 0.00 C ATOM 369 O GLU A 36 -5.396 2.225 6.970 1.00 0.00 O ATOM 370 CB GLU A 36 -5.766 5.153 6.864 1.00 0.00 C ATOM 371 CG GLU A 36 -5.399 6.455 7.571 1.00 0.00 C ATOM 372 CD GLU A 36 -6.022 7.651 6.865 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.341 8.201 5.973 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.168 7.992 7.230 1.00 0.00 O ATOM 0 H GLU A 36 -3.533 4.581 4.661 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.634 4.954 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.341 5.366 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.398 4.543 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.740 6.420 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.315 6.567 7.596 1.00 0.00 H new ATOM 382 N ILE A 37 -3.438 2.747 7.955 1.00 0.00 N ATOM 383 CA ILE A 37 -3.310 1.479 8.643 1.00 0.00 C ATOM 384 C ILE A 37 -3.537 1.677 10.135 1.00 0.00 C ATOM 385 O ILE A 37 -2.663 2.180 10.837 1.00 0.00 O ATOM 386 CB ILE A 37 -1.924 0.895 8.380 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.419 1.377 7.023 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.006 -0.629 8.380 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.219 0.701 5.913 1.00 0.00 C ATOM 0 H ILE A 37 -2.671 3.397 8.127 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.060 0.782 8.270 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.237 1.222 9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.518 2.460 6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.359 1.146 6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.017 -1.047 8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.368 -0.974 9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.692 -0.956 7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.859 1.045 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.097 -0.380 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.274 0.954 6.019 1.00 0.00 H new ATOM 401 N ARG A 38 -4.717 1.280 10.619 1.00 0.00 N ATOM 402 CA ARG A 38 -5.053 1.417 12.022 1.00 0.00 C ATOM 403 C ARG A 38 -6.475 0.930 12.261 1.00 0.00 C ATOM 404 O ARG A 38 -6.770 0.360 13.309 1.00 0.00 O ATOM 405 CB ARG A 38 -4.904 2.877 12.440 1.00 0.00 C ATOM 406 CG ARG A 38 -3.739 3.011 13.416 1.00 0.00 C ATOM 407 CD ARG A 38 -2.781 4.090 12.921 1.00 0.00 C ATOM 408 NE ARG A 38 -1.955 4.601 14.014 1.00 0.00 N ATOM 409 CZ ARG A 38 -0.879 5.374 13.811 1.00 0.00 C ATOM 410 NH1 ARG A 38 -0.521 5.710 12.565 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.161 5.811 14.855 1.00 0.00 N ATOM 0 H ARG A 38 -5.452 0.861 10.050 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.376 0.810 12.623 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.731 3.501 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.825 3.229 12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.110 3.267 14.408 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.216 2.059 13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.142 3.682 12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.348 4.908 12.476 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.208 4.359 14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.067 5.378 11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.298 6.298 12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.433 5.555 15.804 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.658 6.399 14.700 1.00 0.00 H new ATOM 425 N ASP A 39 -7.357 1.156 11.285 1.00 0.00 N ATOM 426 CA ASP A 39 -8.741 0.741 11.395 1.00 0.00 C ATOM 427 C ASP A 39 -9.325 0.522 10.006 1.00 0.00 C ATOM 428 O ASP A 39 -9.197 1.379 9.135 1.00 0.00 O ATOM 429 CB ASP A 39 -9.532 1.804 12.152 1.00 0.00 C ATOM 430 CG ASP A 39 -8.683 2.437 13.245 1.00 0.00 C ATOM 431 OD1 ASP A 39 -7.887 3.336 12.897 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.845 2.011 14.409 1.00 0.00 O ATOM 0 H ASP A 39 -7.128 1.627 10.410 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.801 -0.198 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.871 2.573 11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.423 1.356 12.592 1.00 0.00 H new ATOM 438 N ARG A 40 -9.966 -0.631 9.801 1.00 0.00 N ATOM 439 CA ARG A 40 -10.564 -0.957 8.522 1.00 0.00 C ATOM 440 C ARG A 40 -11.837 -1.762 8.737 1.00 0.00 C ATOM 441 O ARG A 40 -12.205 -2.053 9.874 1.00 0.00 O ATOM 442 CB ARG A 40 -9.563 -1.743 7.680 1.00 0.00 C ATOM 443 CG ARG A 40 -8.467 -0.805 7.184 1.00 0.00 C ATOM 444 CD ARG A 40 -8.380 -0.883 5.662 1.00 0.00 C ATOM 445 NE ARG A 40 -8.916 0.329 5.043 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.392 0.355 3.791 1.00 0.00 C ATOM 447 NH1 ARG A 40 -9.391 -0.762 3.050 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.869 1.498 3.278 1.00 0.00 N ATOM 0 H ARG A 40 -10.080 -1.352 10.514 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.824 -0.040 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.127 -2.548 8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.069 -2.208 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.681 0.218 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.510 -1.080 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.342 -1.021 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.933 -1.752 5.307 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.928 1.191 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.028 -1.632 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.753 -0.742 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.870 2.349 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.231 1.517 2.325 1.00 0.00 H new ATOM 462 N MET A 41 -12.511 -2.122 7.643 1.00 0.00 N ATOM 463 CA MET A 41 -13.738 -2.889 7.721 1.00 0.00 C ATOM 464 C MET A 41 -13.584 -4.192 6.949 1.00 0.00 C ATOM 465 O MET A 41 -12.920 -4.231 5.916 1.00 0.00 O ATOM 466 CB MET A 41 -14.890 -2.062 7.159 1.00 0.00 C ATOM 467 CG MET A 41 -15.414 -1.119 8.239 1.00 0.00 C ATOM 468 SD MET A 41 -17.202 -0.849 8.174 1.00 0.00 S ATOM 469 CE MET A 41 -17.762 -2.484 8.715 1.00 0.00 C ATOM 0 H MET A 41 -12.220 -1.890 6.693 1.00 0.00 H new ATOM 0 HA MET A 41 -13.954 -3.130 8.762 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.553 -1.490 6.294 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.689 -2.719 6.815 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.153 -1.522 9.217 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.908 -0.158 8.145 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.772 -2.663 8.347 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.091 -3.247 8.320 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.760 -2.527 9.804 1.00 0.00 H new ATOM 479 N TRP A 42 -14.202 -5.263 7.453 1.00 0.00 N ATOM 480 CA TRP A 42 -14.131 -6.558 6.806 1.00 0.00 C ATOM 481 C TRP A 42 -15.194 -7.483 7.380 1.00 0.00 C ATOM 482 O TRP A 42 -15.446 -7.473 8.583 1.00 0.00 O ATOM 483 CB TRP A 42 -12.737 -7.147 7.003 1.00 0.00 C ATOM 484 CG TRP A 42 -12.527 -8.489 6.378 1.00 0.00 C ATOM 485 CD1 TRP A 42 -12.095 -9.593 7.025 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.730 -8.895 4.990 1.00 0.00 C ATOM 487 NE1 TRP A 42 -12.016 -10.647 6.140 1.00 0.00 N ATOM 488 CE2 TRP A 42 -12.397 -10.271 4.868 1.00 0.00 C ATOM 489 CE3 TRP A 42 -13.161 -8.241 3.822 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -12.486 -10.961 3.656 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -13.254 -8.924 2.600 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.918 -10.281 2.514 1.00 0.00 C ATOM 0 H TRP A 42 -14.756 -5.250 8.309 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.317 -6.445 5.738 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -12.004 -6.453 6.593 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.539 -7.225 8.072 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.849 -9.643 8.075 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.714 -11.588 6.394 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.425 -7.195 3.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -12.224 -12.007 3.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.588 -8.399 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.992 -10.799 1.570 1.00 0.00 H new ATOM 503 N LEU A 43 -15.819 -8.286 6.514 1.00 0.00 N ATOM 504 CA LEU A 43 -16.850 -9.212 6.937 1.00 0.00 C ATOM 505 C LEU A 43 -18.074 -8.442 7.410 1.00 0.00 C ATOM 506 O LEU A 43 -18.987 -9.021 7.996 1.00 0.00 O ATOM 507 CB LEU A 43 -16.308 -10.102 8.052 1.00 0.00 C ATOM 508 CG LEU A 43 -15.790 -11.407 7.454 1.00 0.00 C ATOM 509 CD1 LEU A 43 -14.266 -11.432 7.530 1.00 0.00 C ATOM 510 CD2 LEU A 43 -16.358 -12.586 8.238 1.00 0.00 C ATOM 0 H LEU A 43 -15.621 -8.306 5.514 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.144 -9.842 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.506 -9.590 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -17.092 -10.309 8.780 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.103 -11.479 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.896 -12.364 7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.860 -10.590 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.952 -11.360 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.988 -13.518 7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.046 -12.515 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.447 -12.568 8.184 1.00 0.00 H new ATOM 522 N LYS A 44 -18.093 -7.131 7.154 1.00 0.00 N ATOM 523 CA LYS A 44 -19.204 -6.291 7.554 1.00 0.00 C ATOM 524 C LYS A 44 -19.005 -5.818 8.987 1.00 0.00 C ATOM 525 O LYS A 44 -19.945 -5.346 9.624 1.00 0.00 O ATOM 526 CB LYS A 44 -20.507 -7.075 7.420 1.00 0.00 C ATOM 527 CG LYS A 44 -21.672 -6.101 7.274 1.00 0.00 C ATOM 528 CD LYS A 44 -22.655 -6.634 6.235 1.00 0.00 C ATOM 529 CE LYS A 44 -23.938 -7.081 6.930 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.666 -8.064 6.113 1.00 0.00 N ATOM 0 H LYS A 44 -17.345 -6.636 6.669 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.253 -5.415 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.460 -7.735 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.655 -7.708 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.174 -5.972 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.304 -5.120 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.878 -5.861 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.211 -7.470 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.698 -7.516 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.574 -6.216 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.534 -8.352 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.914 -7.638 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.065 -8.898 5.956 1.00 0.00 H new ATOM 544 N ILE A 45 -17.776 -5.944 9.494 1.00 0.00 N ATOM 545 CA ILE A 45 -17.457 -5.529 10.845 1.00 0.00 C ATOM 546 C ILE A 45 -16.395 -4.439 10.812 1.00 0.00 C ATOM 547 O ILE A 45 -15.911 -4.074 9.743 1.00 0.00 O ATOM 548 CB ILE A 45 -16.973 -6.734 11.646 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.677 -7.993 11.149 1.00 0.00 C ATOM 550 CG2 ILE A 45 -17.290 -6.523 13.124 1.00 0.00 C ATOM 551 CD1 ILE A 45 -17.091 -9.215 11.850 1.00 0.00 C ATOM 0 H ILE A 45 -16.987 -6.334 8.978 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.348 -5.125 11.326 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.896 -6.846 11.518 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.747 -7.926 11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.557 -8.087 10.070 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.944 -7.384 13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.786 -5.624 13.480 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.366 -6.410 13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.594 -10.114 11.495 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -16.026 -9.284 11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.234 -9.120 12.926 1.00 0.00 H new ATOM 563 N THR A 46 -16.033 -3.918 11.986 1.00 0.00 N ATOM 564 CA THR A 46 -15.031 -2.876 12.080 1.00 0.00 C ATOM 565 C THR A 46 -13.863 -3.354 12.931 1.00 0.00 C ATOM 566 O THR A 46 -14.064 -3.928 14.000 1.00 0.00 O ATOM 567 CB THR A 46 -15.659 -1.621 12.680 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.489 -1.007 11.720 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.557 -0.650 13.096 1.00 0.00 C ATOM 0 H THR A 46 -16.425 -4.207 12.882 1.00 0.00 H new ATOM 0 HA THR A 46 -14.654 -2.639 11.085 1.00 0.00 H new ATOM 0 HB THR A 46 -16.252 -1.893 13.553 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.894 -0.202 12.105 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.005 0.247 13.525 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.915 -1.125 13.838 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.964 -0.377 12.223 1.00 0.00 H new ATOM 577 N ILE A 47 -12.639 -3.115 12.455 1.00 0.00 N ATOM 578 CA ILE A 47 -11.446 -3.518 13.171 1.00 0.00 C ATOM 579 C ILE A 47 -10.602 -2.293 13.496 1.00 0.00 C ATOM 580 O ILE A 47 -10.821 -1.221 12.938 1.00 0.00 O ATOM 581 CB ILE A 47 -10.655 -4.511 12.323 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.562 -5.669 11.918 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.477 -5.046 13.132 1.00 0.00 C ATOM 584 CD1 ILE A 47 -12.320 -5.301 10.646 1.00 0.00 C ATOM 0 H ILE A 47 -12.457 -2.641 11.570 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.725 -4.002 14.107 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.284 -4.010 11.429 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.969 -6.569 11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.265 -5.893 12.721 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.912 -5.755 12.527 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.829 -4.219 13.422 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.847 -5.547 14.026 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.968 -6.128 10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.925 -4.412 10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.609 -5.099 9.845 1.00 0.00 H new ATOM 596 N ALA A 48 -9.635 -2.456 14.402 1.00 0.00 N ATOM 597 CA ALA A 48 -8.766 -1.365 14.797 1.00 0.00 C ATOM 598 C ALA A 48 -7.321 -1.712 14.466 1.00 0.00 C ATOM 599 O ALA A 48 -6.440 -1.575 15.312 1.00 0.00 O ATOM 600 CB ALA A 48 -8.931 -1.100 16.290 1.00 0.00 C ATOM 0 H ALA A 48 -9.440 -3.340 14.873 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.036 -0.462 14.250 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.278 -0.280 16.588 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.967 -0.834 16.500 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.666 -1.997 16.850 1.00 0.00 H new ATOM 606 N ASN A 49 -7.080 -2.162 13.233 1.00 0.00 N ATOM 607 CA ASN A 49 -5.746 -2.524 12.800 1.00 0.00 C ATOM 608 C ASN A 49 -5.822 -3.601 11.728 1.00 0.00 C ATOM 609 O ASN A 49 -6.004 -4.777 12.037 1.00 0.00 O ATOM 610 CB ASN A 49 -4.939 -3.013 14.000 1.00 0.00 C ATOM 611 CG ASN A 49 -5.791 -3.891 14.906 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.736 -4.527 14.446 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.452 -3.926 16.197 1.00 0.00 N ATOM 0 H ASN A 49 -7.800 -2.282 12.521 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.250 -1.652 12.374 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.071 -3.574 13.655 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.563 -2.159 14.563 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.987 -4.499 16.849 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.658 -3.379 16.531 1.00 0.00 H new ATOM 620 N ALA A 50 -5.682 -3.196 10.463 1.00 0.00 N ATOM 621 CA ALA A 50 -5.737 -4.126 9.353 1.00 0.00 C ATOM 622 C ALA A 50 -5.376 -3.406 8.061 1.00 0.00 C ATOM 623 O ALA A 50 -5.479 -2.184 7.979 1.00 0.00 O ATOM 624 CB ALA A 50 -7.135 -4.729 9.263 1.00 0.00 C ATOM 0 H ALA A 50 -5.530 -2.225 10.191 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.019 -4.931 9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.176 -5.429 8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.364 -5.256 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.865 -3.934 9.107 1.00 0.00 H new ATOM 630 N VAL A 51 -4.951 -4.168 7.050 1.00 0.00 N ATOM 631 CA VAL A 51 -4.577 -3.602 5.770 1.00 0.00 C ATOM 632 C VAL A 51 -4.015 -4.692 4.869 1.00 0.00 C ATOM 633 O VAL A 51 -4.548 -4.946 3.791 1.00 0.00 O ATOM 634 CB VAL A 51 -3.549 -2.495 5.985 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.253 -1.141 5.996 1.00 0.00 C ATOM 636 CG2 VAL A 51 -2.841 -2.711 7.320 1.00 0.00 C ATOM 0 H VAL A 51 -4.860 -5.183 7.103 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.455 -3.175 5.286 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.817 -2.517 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.519 -0.350 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.759 -0.986 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.985 -1.118 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.106 -1.921 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.573 -2.689 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.338 -3.678 7.313 1.00 0.00 H new ATOM 646 N ILE A 52 -2.935 -5.339 5.314 1.00 0.00 N ATOM 647 CA ILE A 52 -2.307 -6.398 4.550 1.00 0.00 C ATOM 648 C ILE A 52 -1.992 -5.903 3.145 1.00 0.00 C ATOM 649 O ILE A 52 -2.386 -4.801 2.771 1.00 0.00 O ATOM 650 CB ILE A 52 -3.234 -7.609 4.503 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.402 -8.888 4.497 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.085 -7.549 3.238 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.256 -10.053 4.989 1.00 0.00 C ATOM 0 H ILE A 52 -2.482 -5.140 6.206 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.372 -6.692 5.028 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.883 -7.603 5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.036 -9.091 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.528 -8.769 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.747 -8.414 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.680 -6.636 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.436 -7.554 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.662 -10.967 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.601 -9.849 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.116 -10.177 4.331 1.00 0.00 H new ATOM 665 N GLY A 53 -1.281 -6.722 2.366 1.00 0.00 N ATOM 666 CA GLY A 53 -0.922 -6.359 1.010 1.00 0.00 C ATOM 667 C GLY A 53 -2.170 -6.033 0.202 1.00 0.00 C ATOM 668 O GLY A 53 -2.128 -5.204 -0.704 1.00 0.00 O ATOM 0 H GLY A 53 -0.946 -7.640 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.253 -5.498 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.379 -7.178 0.539 1.00 0.00 H new ATOM 672 N ALA A 54 -3.284 -6.690 0.533 1.00 0.00 N ATOM 673 CA ALA A 54 -4.537 -6.470 -0.162 1.00 0.00 C ATOM 674 C ALA A 54 -4.834 -4.978 -0.228 1.00 0.00 C ATOM 675 O ALA A 54 -4.890 -4.402 -1.312 1.00 0.00 O ATOM 676 CB ALA A 54 -5.656 -7.213 0.562 1.00 0.00 C ATOM 0 H ALA A 54 -3.335 -7.380 1.283 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.465 -6.852 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.599 -7.048 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.432 -8.280 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.737 -6.842 1.584 1.00 0.00 H new ATOM 682 N ASP A 55 -5.024 -4.353 0.936 1.00 0.00 N ATOM 683 CA ASP A 55 -5.315 -2.935 1.004 1.00 0.00 C ATOM 684 C ASP A 55 -4.107 -2.139 0.534 1.00 0.00 C ATOM 685 O ASP A 55 -4.241 -1.225 -0.277 1.00 0.00 O ATOM 686 CB ASP A 55 -5.687 -2.561 2.436 1.00 0.00 C ATOM 687 CG ASP A 55 -6.866 -1.599 2.458 1.00 0.00 C ATOM 688 OD1 ASP A 55 -6.963 -0.798 1.503 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.649 -1.682 3.429 1.00 0.00 O ATOM 0 H ASP A 55 -4.979 -4.817 1.844 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.156 -2.700 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.937 -3.461 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.830 -2.104 2.931 1.00 0.00 H new ATOM 695 N VAL A 56 -2.924 -2.487 1.046 1.00 0.00 N ATOM 696 CA VAL A 56 -1.700 -1.805 0.678 1.00 0.00 C ATOM 697 C VAL A 56 -1.600 -1.709 -0.838 1.00 0.00 C ATOM 698 O VAL A 56 -1.004 -0.773 -1.365 1.00 0.00 O ATOM 699 CB VAL A 56 -0.505 -2.560 1.253 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.778 -1.796 0.938 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.664 -2.687 2.765 1.00 0.00 C ATOM 0 H VAL A 56 -2.797 -3.242 1.720 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.704 -0.795 1.087 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.454 -3.554 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.632 -2.335 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.891 -1.705 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.728 -0.802 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.189 -3.226 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.714 -1.693 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.581 -3.232 2.990 1.00 0.00 H new ATOM 711 N VAL A 57 -2.186 -2.683 -1.539 1.00 0.00 N ATOM 712 CA VAL A 57 -2.161 -2.704 -2.987 1.00 0.00 C ATOM 713 C VAL A 57 -3.212 -1.749 -3.535 1.00 0.00 C ATOM 714 O VAL A 57 -2.878 -0.763 -4.186 1.00 0.00 O ATOM 715 CB VAL A 57 -2.413 -4.127 -3.479 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.699 -4.104 -4.978 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.180 -4.984 -3.209 1.00 0.00 C ATOM 0 H VAL A 57 -2.683 -3.467 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.183 -2.379 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.270 -4.547 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.879 -5.120 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.580 -3.492 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.843 -3.684 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.359 -6.000 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.323 -4.564 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.976 -5.001 -2.138 1.00 0.00 H new ATOM 727 N ASP A 58 -4.486 -2.045 -3.268 1.00 0.00 N ATOM 728 CA ASP A 58 -5.578 -1.214 -3.735 1.00 0.00 C ATOM 729 C ASP A 58 -5.214 0.254 -3.567 1.00 0.00 C ATOM 730 O ASP A 58 -5.700 1.104 -4.311 1.00 0.00 O ATOM 731 CB ASP A 58 -6.843 -1.551 -2.952 1.00 0.00 C ATOM 732 CG ASP A 58 -7.663 -2.611 -3.674 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.475 -2.734 -4.903 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.463 -3.278 -2.983 1.00 0.00 O ATOM 0 H ASP A 58 -4.779 -2.859 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.761 -1.405 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.576 -1.908 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.443 -0.651 -2.817 1.00 0.00 H new ATOM 740 N TRP A 59 -4.358 0.553 -2.587 1.00 0.00 N ATOM 741 CA TRP A 59 -3.938 1.916 -2.333 1.00 0.00 C ATOM 742 C TRP A 59 -2.805 2.293 -3.277 1.00 0.00 C ATOM 743 O TRP A 59 -2.909 3.269 -4.016 1.00 0.00 O ATOM 744 CB TRP A 59 -3.496 2.048 -0.878 1.00 0.00 C ATOM 745 CG TRP A 59 -3.189 3.443 -0.437 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.094 4.331 0.027 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.903 4.133 -0.410 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.461 5.516 0.338 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.106 5.449 0.087 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.585 3.782 -0.754 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.061 6.366 0.235 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.470 4.695 -0.610 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.236 5.984 -0.117 1.00 0.00 C ATOM 0 H TRP A 59 -3.946 -0.138 -1.960 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.772 2.596 -2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.280 1.644 -0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.610 1.431 -0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.152 4.142 0.138 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.936 6.340 0.708 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.382 2.792 -1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.254 7.358 0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.473 4.401 -0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.055 6.680 -0.009 1.00 0.00 H new ATOM 764 N LEU A 60 -1.720 1.516 -3.250 1.00 0.00 N ATOM 765 CA LEU A 60 -0.575 1.770 -4.101 1.00 0.00 C ATOM 766 C LEU A 60 -1.043 2.245 -5.469 1.00 0.00 C ATOM 767 O LEU A 60 -0.387 3.071 -6.100 1.00 0.00 O ATOM 768 CB LEU A 60 0.258 0.498 -4.226 1.00 0.00 C ATOM 769 CG LEU A 60 1.195 0.383 -3.027 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.630 -1.070 -2.859 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.423 1.260 -3.255 1.00 0.00 C ATOM 0 H LEU A 60 -1.619 0.704 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 60 0.044 2.551 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.395 -0.373 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.834 0.518 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 60 0.676 0.713 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.299 -1.153 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.753 -1.696 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.149 -1.401 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.093 1.178 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.943 0.931 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.112 2.298 -3.374 1.00 0.00 H new ATOM 783 N TYR A 61 -2.182 1.721 -5.927 1.00 0.00 N ATOM 784 CA TYR A 61 -2.729 2.093 -7.216 1.00 0.00 C ATOM 785 C TYR A 61 -3.655 3.290 -7.058 1.00 0.00 C ATOM 786 O TYR A 61 -3.605 4.226 -7.853 1.00 0.00 O ATOM 787 CB TYR A 61 -3.478 0.904 -7.811 1.00 0.00 C ATOM 788 CG TYR A 61 -4.165 1.218 -9.119 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.303 2.033 -9.134 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.664 0.693 -10.316 1.00 0.00 C ATOM 791 CE1 TYR A 61 -5.941 2.323 -10.346 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.302 0.983 -11.528 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.440 1.798 -11.543 1.00 0.00 C ATOM 794 OH TYR A 61 -6.061 2.081 -12.724 1.00 0.00 O ATOM 0 H TYR A 61 -2.739 1.036 -5.416 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.921 2.372 -7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.777 0.084 -7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.221 0.557 -7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.689 2.438 -8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.786 0.065 -10.305 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.819 2.951 -10.357 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.916 0.578 -12.452 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.585 1.639 -13.458 1.00 0.00 H new ATOM 804 N THR A 62 -4.504 3.259 -6.028 1.00 0.00 N ATOM 805 CA THR A 62 -5.433 4.342 -5.774 1.00 0.00 C ATOM 806 C THR A 62 -4.675 5.579 -5.315 1.00 0.00 C ATOM 807 O THR A 62 -5.269 6.637 -5.117 1.00 0.00 O ATOM 808 CB THR A 62 -6.445 3.905 -4.719 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.242 2.863 -5.236 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.334 5.088 -4.346 1.00 0.00 C ATOM 0 H THR A 62 -4.561 2.490 -5.360 1.00 0.00 H new ATOM 0 HA THR A 62 -5.967 4.590 -6.691 1.00 0.00 H new ATOM 0 HB THR A 62 -5.917 3.554 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.914 2.003 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.057 4.776 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.718 5.894 -3.947 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.862 5.440 -5.232 1.00 0.00 H new ATOM 818 N HIS A 63 -3.358 5.446 -5.146 1.00 0.00 N ATOM 819 CA HIS A 63 -2.530 6.553 -4.710 1.00 0.00 C ATOM 820 C HIS A 63 -1.545 6.929 -5.807 1.00 0.00 C ATOM 821 O HIS A 63 -1.571 8.050 -6.311 1.00 0.00 O ATOM 822 CB HIS A 63 -1.792 6.162 -3.432 1.00 0.00 C ATOM 823 CG HIS A 63 -1.822 7.246 -2.390 1.00 0.00 C ATOM 824 ND1 HIS A 63 -2.870 7.530 -1.544 1.00 0.00 N ATOM 825 CD2 HIS A 63 -0.812 8.128 -2.113 1.00 0.00 C ATOM 826 CE1 HIS A 63 -2.493 8.566 -0.773 1.00 0.00 C ATOM 827 NE2 HIS A 63 -1.247 8.965 -1.082 1.00 0.00 N ATOM 0 H HIS A 63 -2.849 4.577 -5.307 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.158 7.420 -4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.239 5.257 -3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.756 5.925 -3.674 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.766 7.045 -1.508 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.149 8.169 -2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.109 9.017 -0.009 1.00 0.00 H new ATOM 835 N VAL A 64 -0.674 5.987 -6.178 1.00 0.00 N ATOM 836 CA VAL A 64 0.314 6.223 -7.212 1.00 0.00 C ATOM 837 C VAL A 64 0.177 5.172 -8.304 1.00 0.00 C ATOM 838 O VAL A 64 -0.633 4.255 -8.187 1.00 0.00 O ATOM 839 CB VAL A 64 1.710 6.186 -6.598 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.711 6.966 -5.286 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.109 4.738 -6.328 1.00 0.00 C ATOM 0 H VAL A 64 -0.640 5.053 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 64 0.154 7.205 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 64 2.422 6.637 -7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.709 6.939 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.426 8.001 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.999 6.516 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.106 4.711 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.397 4.287 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.109 4.180 -7.264 1.00 0.00 H new ATOM 851 N GLU A 65 0.971 5.307 -9.369 1.00 0.00 N ATOM 852 CA GLU A 65 0.932 4.368 -10.472 1.00 0.00 C ATOM 853 C GLU A 65 2.343 4.099 -10.975 1.00 0.00 C ATOM 854 O GLU A 65 3.274 4.828 -10.639 1.00 0.00 O ATOM 855 CB GLU A 65 0.059 4.933 -11.589 1.00 0.00 C ATOM 856 CG GLU A 65 0.655 6.247 -12.086 1.00 0.00 C ATOM 857 CD GLU A 65 0.555 6.350 -13.601 1.00 0.00 C ATOM 858 OE1 GLU A 65 1.540 5.958 -14.263 1.00 0.00 O ATOM 859 OE2 GLU A 65 -0.505 6.819 -14.068 1.00 0.00 O ATOM 0 HA GLU A 65 0.504 3.424 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.008 4.218 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.955 5.096 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.132 7.085 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.699 6.316 -11.781 1.00 0.00 H new ATOM 867 N GLY A 66 2.501 3.049 -11.784 1.00 0.00 N ATOM 868 CA GLY A 66 3.797 2.694 -12.326 1.00 0.00 C ATOM 869 C GLY A 66 3.866 1.196 -12.592 1.00 0.00 C ATOM 870 O GLY A 66 4.688 0.741 -13.383 1.00 0.00 O ATOM 0 H GLY A 66 1.741 2.434 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.975 3.243 -13.251 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.582 2.983 -11.628 1.00 0.00 H new ATOM 874 N PHE A 67 2.997 0.430 -11.928 1.00 0.00 N ATOM 875 CA PHE A 67 2.964 -1.008 -12.097 1.00 0.00 C ATOM 876 C PHE A 67 2.106 -1.368 -13.302 1.00 0.00 C ATOM 877 O PHE A 67 1.072 -0.746 -13.537 1.00 0.00 O ATOM 878 CB PHE A 67 2.415 -1.656 -10.829 1.00 0.00 C ATOM 879 CG PHE A 67 3.192 -1.297 -9.584 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.569 -1.543 -9.523 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.535 -0.716 -8.493 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.289 -1.208 -8.370 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.255 -0.382 -7.340 1.00 0.00 C ATOM 884 CZ PHE A 67 4.632 -0.628 -7.278 1.00 0.00 C ATOM 0 H PHE A 67 2.308 0.792 -11.268 1.00 0.00 H new ATOM 0 HA PHE A 67 3.974 -1.380 -12.272 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.375 -1.356 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.421 -2.739 -10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.076 -1.991 -10.365 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.473 -0.526 -8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.351 -1.397 -8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.748 0.066 -6.498 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.187 -0.370 -6.388 1.00 0.00 H new ATOM 894 N LYS A 68 2.537 -2.375 -14.065 1.00 0.00 N ATOM 895 CA LYS A 68 1.806 -2.810 -15.238 1.00 0.00 C ATOM 896 C LYS A 68 0.326 -2.939 -14.909 1.00 0.00 C ATOM 897 O LYS A 68 -0.492 -2.167 -15.404 1.00 0.00 O ATOM 898 CB LYS A 68 2.370 -4.143 -15.723 1.00 0.00 C ATOM 899 CG LYS A 68 3.528 -3.886 -16.683 1.00 0.00 C ATOM 900 CD LYS A 68 4.851 -4.034 -15.937 1.00 0.00 C ATOM 901 CE LYS A 68 6.009 -3.774 -16.896 1.00 0.00 C ATOM 902 NZ LYS A 68 7.269 -3.580 -16.163 1.00 0.00 N ATOM 0 H LYS A 68 3.392 -2.900 -13.883 1.00 0.00 H new ATOM 0 HA LYS A 68 1.917 -2.072 -16.032 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.712 -4.736 -14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.591 -4.720 -16.222 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.487 -4.589 -17.515 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.447 -2.885 -17.107 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.891 -3.333 -15.104 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.932 -5.036 -15.515 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.111 -4.613 -17.585 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.795 -2.891 -17.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.036 -4.083 -16.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.492 -2.565 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.170 -3.955 -15.198 1.00 0.00 H new ATOM 916 N GLU A 69 -0.017 -3.918 -14.069 1.00 0.00 N ATOM 917 CA GLU A 69 -1.395 -4.140 -13.679 1.00 0.00 C ATOM 918 C GLU A 69 -1.449 -4.752 -12.286 1.00 0.00 C ATOM 919 O GLU A 69 -0.432 -4.832 -11.600 1.00 0.00 O ATOM 920 CB GLU A 69 -2.070 -5.054 -14.698 1.00 0.00 C ATOM 921 CG GLU A 69 -3.481 -4.546 -14.981 1.00 0.00 C ATOM 922 CD GLU A 69 -4.504 -5.659 -14.805 1.00 0.00 C ATOM 923 OE1 GLU A 69 -5.063 -5.745 -13.690 1.00 0.00 O ATOM 924 OE2 GLU A 69 -4.707 -6.403 -15.788 1.00 0.00 O ATOM 0 H GLU A 69 0.649 -4.567 -13.649 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.926 -3.188 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.489 -5.080 -15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.109 -6.075 -14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.716 -3.721 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.534 -4.155 -15.997 1.00 0.00 H new ATOM 932 N ARG A 70 -2.641 -5.187 -11.870 1.00 0.00 N ATOM 933 CA ARG A 70 -2.822 -5.788 -10.564 1.00 0.00 C ATOM 934 C ARG A 70 -1.652 -6.710 -10.254 1.00 0.00 C ATOM 935 O ARG A 70 -1.308 -6.909 -9.091 1.00 0.00 O ATOM 936 CB ARG A 70 -4.139 -6.560 -10.540 1.00 0.00 C ATOM 937 CG ARG A 70 -4.344 -7.171 -9.156 1.00 0.00 C ATOM 938 CD ARG A 70 -5.566 -6.537 -8.497 1.00 0.00 C ATOM 939 NE ARG A 70 -6.655 -7.506 -8.370 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.564 -7.706 -9.334 1.00 0.00 C ATOM 941 NH1 ARG A 70 -7.497 -7.006 -10.474 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.540 -8.607 -9.158 1.00 0.00 N ATOM 0 H ARG A 70 -3.493 -5.130 -12.428 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.857 -5.009 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.968 -5.895 -10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.128 -7.344 -11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.481 -8.249 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.460 -7.008 -8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.296 -6.157 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.900 -5.684 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.725 -8.052 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.754 -6.320 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.189 -7.159 -11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.591 -9.141 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.232 -8.759 -9.892 1.00 0.00 H new ATOM 956 N ARG A 71 -1.039 -7.271 -11.299 1.00 0.00 N ATOM 957 CA ARG A 71 0.088 -8.168 -11.133 1.00 0.00 C ATOM 958 C ARG A 71 1.261 -7.414 -10.524 1.00 0.00 C ATOM 959 O ARG A 71 1.549 -7.563 -9.338 1.00 0.00 O ATOM 960 CB ARG A 71 0.470 -8.758 -12.487 1.00 0.00 C ATOM 961 CG ARG A 71 0.516 -10.280 -12.384 1.00 0.00 C ATOM 962 CD ARG A 71 0.342 -10.890 -13.771 1.00 0.00 C ATOM 963 NE ARG A 71 -0.962 -11.540 -13.900 1.00 0.00 N ATOM 964 CZ ARG A 71 -1.440 -11.983 -15.070 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.715 -11.840 -16.188 1.00 0.00 N ATOM 966 NH2 ARG A 71 -2.644 -12.569 -15.124 1.00 0.00 N ATOM 0 H ARG A 71 -1.312 -7.114 -12.269 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.185 -8.981 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.253 -8.456 -13.244 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.441 -8.375 -12.802 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.465 -10.597 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.271 -10.634 -11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.441 -10.113 -14.529 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.134 -11.616 -13.954 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.532 -11.661 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.201 -11.394 -16.148 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.079 -12.178 -17.079 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.197 -12.678 -14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.008 -12.906 -16.015 1.00 0.00 H new ATOM 980 N GLU A 72 1.940 -6.602 -11.338 1.00 0.00 N ATOM 981 CA GLU A 72 3.075 -5.830 -10.872 1.00 0.00 C ATOM 982 C GLU A 72 2.769 -5.228 -9.508 1.00 0.00 C ATOM 983 O GLU A 72 3.632 -5.198 -8.633 1.00 0.00 O ATOM 984 CB GLU A 72 3.395 -4.736 -11.887 1.00 0.00 C ATOM 985 CG GLU A 72 4.470 -5.234 -12.849 1.00 0.00 C ATOM 986 CD GLU A 72 5.475 -4.133 -13.156 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.126 -2.959 -12.907 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.574 -4.487 -13.635 1.00 0.00 O ATOM 0 H GLU A 72 1.716 -6.468 -12.324 1.00 0.00 H new ATOM 0 HA GLU A 72 3.944 -6.480 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.496 -4.463 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.739 -3.838 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.985 -6.091 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.006 -5.577 -13.774 1.00 0.00 H new ATOM 996 N ALA A 73 1.536 -4.749 -9.329 1.00 0.00 N ATOM 997 CA ALA A 73 1.123 -4.150 -8.076 1.00 0.00 C ATOM 998 C ALA A 73 1.323 -5.144 -6.940 1.00 0.00 C ATOM 999 O ALA A 73 1.973 -4.830 -5.945 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.339 -3.727 -8.173 1.00 0.00 C ATOM 0 H ALA A 73 0.810 -4.769 -10.045 1.00 0.00 H new ATOM 0 HA ALA A 73 1.730 -3.268 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.651 -3.276 -7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.455 -3.002 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.958 -4.600 -8.379 1.00 0.00 H new ATOM 1006 N ARG A 74 0.762 -6.346 -7.090 1.00 0.00 N ATOM 1007 CA ARG A 74 0.879 -7.376 -6.079 1.00 0.00 C ATOM 1008 C ARG A 74 2.340 -7.771 -5.912 1.00 0.00 C ATOM 1009 O ARG A 74 2.747 -8.215 -4.841 1.00 0.00 O ATOM 1010 CB ARG A 74 0.036 -8.582 -6.482 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.032 -9.568 -5.319 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.105 -10.616 -5.602 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.603 -11.965 -5.343 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.257 -13.069 -5.728 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.422 -12.964 -6.381 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.746 -14.279 -5.460 1.00 0.00 N ATOM 0 H ARG A 74 0.221 -6.622 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 74 0.514 -6.997 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.968 -8.261 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.469 -9.066 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.935 -10.051 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.260 -9.040 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.979 -10.424 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.429 -10.538 -6.640 1.00 0.00 H new ATOM 0 HE ARG A 74 0.283 -12.070 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.811 -12.043 -6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.920 -13.805 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.141 -14.359 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.244 -15.119 -5.753 1.00 0.00 H new ATOM 1030 N LYS A 75 3.129 -7.609 -6.976 1.00 0.00 N ATOM 1031 CA LYS A 75 4.538 -7.948 -6.941 1.00 0.00 C ATOM 1032 C LYS A 75 5.269 -7.024 -5.978 1.00 0.00 C ATOM 1033 O LYS A 75 6.124 -7.469 -5.215 1.00 0.00 O ATOM 1034 CB LYS A 75 5.122 -7.838 -8.346 1.00 0.00 C ATOM 1035 CG LYS A 75 4.885 -9.143 -9.099 1.00 0.00 C ATOM 1036 CD LYS A 75 5.855 -10.207 -8.593 1.00 0.00 C ATOM 1037 CE LYS A 75 6.694 -10.726 -9.757 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.075 -10.999 -9.332 1.00 0.00 N ATOM 0 H LYS A 75 2.807 -7.243 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 75 4.660 -8.973 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.659 -7.008 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.190 -7.626 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.857 -9.476 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.024 -8.988 -10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.502 -9.787 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.304 -11.028 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.246 -11.636 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.696 -9.993 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.624 -11.351 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.508 -10.124 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.071 -11.716 -8.579 1.00 0.00 H new ATOM 1052 N TYR A 76 4.932 -5.733 -6.015 1.00 0.00 N ATOM 1053 CA TYR A 76 5.559 -4.755 -5.149 1.00 0.00 C ATOM 1054 C TYR A 76 5.135 -4.995 -3.707 1.00 0.00 C ATOM 1055 O TYR A 76 5.977 -5.074 -2.815 1.00 0.00 O ATOM 1056 CB TYR A 76 5.167 -3.351 -5.601 1.00 0.00 C ATOM 1057 CG TYR A 76 5.918 -2.255 -4.884 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.180 -1.857 -5.342 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.354 -1.637 -3.762 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.877 -0.841 -4.677 1.00 0.00 C ATOM 1061 CE2 TYR A 76 6.050 -0.621 -3.098 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.312 -0.223 -3.555 1.00 0.00 C ATOM 1063 OH TYR A 76 7.992 0.766 -2.907 1.00 0.00 O ATOM 0 H TYR A 76 4.225 -5.348 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 76 6.643 -4.853 -5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.344 -3.260 -6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.098 -3.212 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.616 -2.334 -6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.381 -1.945 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.851 -0.534 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.614 -0.144 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 76 8.858 0.907 -3.343 1.00 0.00 H new ATOM 1073 N ALA A 77 3.824 -5.112 -3.480 1.00 0.00 N ATOM 1074 CA ALA A 77 3.296 -5.342 -2.151 1.00 0.00 C ATOM 1075 C ALA A 77 4.033 -6.501 -1.496 1.00 0.00 C ATOM 1076 O ALA A 77 4.555 -6.364 -0.392 1.00 0.00 O ATOM 1077 CB ALA A 77 1.801 -5.634 -2.242 1.00 0.00 C ATOM 0 H ALA A 77 3.113 -5.049 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 77 3.443 -4.452 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.403 -5.807 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.291 -4.783 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.640 -6.521 -2.855 1.00 0.00 H new ATOM 1083 N SER A 78 4.076 -7.647 -2.181 1.00 0.00 N ATOM 1084 CA SER A 78 4.748 -8.821 -1.663 1.00 0.00 C ATOM 1085 C SER A 78 6.151 -8.452 -1.202 1.00 0.00 C ATOM 1086 O SER A 78 6.593 -8.886 -0.141 1.00 0.00 O ATOM 1087 CB SER A 78 4.799 -9.895 -2.745 1.00 0.00 C ATOM 1088 OG SER A 78 3.559 -9.948 -3.414 1.00 0.00 O ATOM 0 H SER A 78 3.649 -7.777 -3.098 1.00 0.00 H new ATOM 0 HA SER A 78 4.198 -9.212 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.597 -9.675 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.026 -10.864 -2.300 1.00 0.00 H new ATOM 0 HG SER A 78 2.840 -10.078 -2.761 1.00 0.00 H new ATOM 1094 N SER A 79 6.852 -7.647 -2.004 1.00 0.00 N ATOM 1095 CA SER A 79 8.197 -7.223 -1.674 1.00 0.00 C ATOM 1096 C SER A 79 8.163 -6.275 -0.483 1.00 0.00 C ATOM 1097 O SER A 79 9.147 -6.150 0.242 1.00 0.00 O ATOM 1098 CB SER A 79 8.828 -6.544 -2.887 1.00 0.00 C ATOM 1099 OG SER A 79 10.056 -7.168 -3.188 1.00 0.00 O ATOM 0 H SER A 79 6.501 -7.279 -2.888 1.00 0.00 H new ATOM 0 HA SER A 79 8.799 -8.091 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.156 -6.607 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.986 -5.485 -2.683 1.00 0.00 H new ATOM 0 HG SER A 79 10.461 -6.734 -3.968 1.00 0.00 H new ATOM 1105 N MET A 80 7.025 -5.608 -0.282 1.00 0.00 N ATOM 1106 CA MET A 80 6.871 -4.677 0.818 1.00 0.00 C ATOM 1107 C MET A 80 6.753 -5.440 2.130 1.00 0.00 C ATOM 1108 O MET A 80 7.250 -4.991 3.160 1.00 0.00 O ATOM 1109 CB MET A 80 5.636 -3.813 0.583 1.00 0.00 C ATOM 1110 CG MET A 80 5.964 -2.357 0.905 1.00 0.00 C ATOM 1111 SD MET A 80 4.515 -1.346 1.295 1.00 0.00 S ATOM 1112 CE MET A 80 3.844 -2.317 2.667 1.00 0.00 C ATOM 0 H MET A 80 6.199 -5.701 -0.873 1.00 0.00 H new ATOM 0 HA MET A 80 7.746 -4.030 0.875 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.308 -3.903 -0.453 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.813 -4.158 1.209 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.652 -2.328 1.750 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.484 -1.916 0.055 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.262 -1.668 3.321 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.203 -3.107 2.275 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.663 -2.762 3.233 1.00 0.00 H new ATOM 1122 N LEU A 81 6.091 -6.599 2.090 1.00 0.00 N ATOM 1123 CA LEU A 81 5.910 -7.418 3.271 1.00 0.00 C ATOM 1124 C LEU A 81 7.200 -8.164 3.585 1.00 0.00 C ATOM 1125 O LEU A 81 7.691 -8.112 4.710 1.00 0.00 O ATOM 1126 CB LEU A 81 4.763 -8.397 3.040 1.00 0.00 C ATOM 1127 CG LEU A 81 4.343 -9.012 4.372 1.00 0.00 C ATOM 1128 CD1 LEU A 81 3.938 -10.467 4.157 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.511 -8.948 5.353 1.00 0.00 C ATOM 0 H LEU A 81 5.673 -6.985 1.244 1.00 0.00 H new ATOM 0 HA LEU A 81 5.663 -6.784 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.918 -7.882 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.073 -9.180 2.347 1.00 0.00 H new ATOM 0 HG LEU A 81 3.497 -8.457 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.638 -10.906 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.103 -10.513 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.783 -11.024 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.211 -9.387 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.357 -9.503 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.799 -7.908 5.508 1.00 0.00 H new ATOM 1141 N LYS A 82 7.748 -8.858 2.585 1.00 0.00 N ATOM 1142 CA LYS A 82 8.975 -9.609 2.760 1.00 0.00 C ATOM 1143 C LYS A 82 10.055 -8.707 3.342 1.00 0.00 C ATOM 1144 O LYS A 82 10.925 -9.170 4.076 1.00 0.00 O ATOM 1145 CB LYS A 82 9.416 -10.182 1.417 1.00 0.00 C ATOM 1146 CG LYS A 82 9.034 -11.658 1.344 1.00 0.00 C ATOM 1147 CD LYS A 82 7.514 -11.792 1.357 1.00 0.00 C ATOM 1148 CE LYS A 82 7.059 -12.286 2.727 1.00 0.00 C ATOM 1149 NZ LYS A 82 6.601 -11.168 3.566 1.00 0.00 N ATOM 0 H LYS A 82 7.353 -8.910 1.646 1.00 0.00 H new ATOM 0 HA LYS A 82 8.805 -10.432 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.944 -9.632 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.493 -10.068 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.441 -12.106 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.464 -12.198 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.052 -10.831 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.193 -12.488 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.252 -13.009 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.881 -12.804 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.856 -11.500 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.400 -10.800 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.223 -10.412 2.960 1.00 0.00 H new ATOM 1163 N HIS A 83 9.999 -7.415 3.011 1.00 0.00 N ATOM 1164 CA HIS A 83 10.973 -6.460 3.501 1.00 0.00 C ATOM 1165 C HIS A 83 10.961 -6.440 5.024 1.00 0.00 C ATOM 1166 O HIS A 83 11.923 -6.000 5.648 1.00 0.00 O ATOM 1167 CB HIS A 83 10.655 -5.077 2.941 1.00 0.00 C ATOM 1168 CG HIS A 83 11.790 -4.499 2.142 1.00 0.00 C ATOM 1169 ND1 HIS A 83 11.749 -4.139 0.814 1.00 0.00 N ATOM 1170 CD2 HIS A 83 13.051 -4.237 2.606 1.00 0.00 C ATOM 1171 CE1 HIS A 83 12.966 -3.669 0.489 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.795 -3.708 1.546 1.00 0.00 N ATOM 0 H HIS A 83 9.284 -7.014 2.404 1.00 0.00 H new ATOM 0 HA HIS A 83 11.970 -6.753 3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.768 -5.140 2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.415 -4.403 3.763 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.944 -4.215 0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.408 -4.408 3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.241 -3.308 -0.491 1.00 0.00 H new ATOM 1180 N GLY A 84 9.867 -6.919 5.620 1.00 0.00 N ATOM 1181 CA GLY A 84 9.740 -6.951 7.064 1.00 0.00 C ATOM 1182 C GLY A 84 9.015 -5.707 7.558 1.00 0.00 C ATOM 1183 O GLY A 84 9.216 -5.277 8.691 1.00 0.00 O ATOM 0 H GLY A 84 9.060 -7.289 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.193 -7.844 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.728 -7.011 7.522 1.00 0.00 H new ATOM 1187 N PHE A 85 8.168 -5.129 6.703 1.00 0.00 N ATOM 1188 CA PHE A 85 7.420 -3.940 7.057 1.00 0.00 C ATOM 1189 C PHE A 85 5.964 -4.303 7.311 1.00 0.00 C ATOM 1190 O PHE A 85 5.112 -3.423 7.416 1.00 0.00 O ATOM 1191 CB PHE A 85 7.534 -2.915 5.932 1.00 0.00 C ATOM 1192 CG PHE A 85 8.882 -2.238 5.869 1.00 0.00 C ATOM 1193 CD1 PHE A 85 10.043 -3.004 5.709 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.972 -0.844 5.971 1.00 0.00 C ATOM 1195 CE1 PHE A 85 11.294 -2.377 5.652 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.222 -0.217 5.914 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.383 -0.983 5.755 1.00 0.00 C ATOM 0 H PHE A 85 7.989 -5.473 5.760 1.00 0.00 H new ATOM 0 HA PHE A 85 7.829 -3.506 7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.339 -3.409 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.761 -2.157 6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.974 -4.079 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.077 -0.253 6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 85 12.190 -2.968 5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.291 0.858 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.347 -0.499 5.712 1.00 0.00 H new ATOM 1207 N LEU A 86 5.679 -5.604 7.410 1.00 0.00 N ATOM 1208 CA LEU A 86 4.330 -6.076 7.651 1.00 0.00 C ATOM 1209 C LEU A 86 4.370 -7.354 8.477 1.00 0.00 C ATOM 1210 O LEU A 86 5.280 -8.166 8.324 1.00 0.00 O ATOM 1211 CB LEU A 86 3.630 -6.316 6.317 1.00 0.00 C ATOM 1212 CG LEU A 86 2.839 -5.071 5.927 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.802 -4.947 4.406 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.414 -5.185 6.463 1.00 0.00 C ATOM 0 H LEU A 86 6.374 -6.346 7.325 1.00 0.00 H new ATOM 0 HA LEU A 86 3.772 -5.324 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.364 -6.550 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.963 -7.175 6.393 1.00 0.00 H new ATOM 0 HG LEU A 86 3.318 -4.189 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.237 -4.058 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.819 -4.866 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.323 -5.829 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.848 -4.296 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.935 -6.067 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.440 -5.273 7.549 1.00 0.00 H new ATOM 1226 N ARG A 87 3.379 -7.530 9.354 1.00 0.00 N ATOM 1227 CA ARG A 87 3.306 -8.705 10.199 1.00 0.00 C ATOM 1228 C ARG A 87 1.869 -9.201 10.269 1.00 0.00 C ATOM 1229 O ARG A 87 0.935 -8.402 10.289 1.00 0.00 O ATOM 1230 CB ARG A 87 3.828 -8.362 11.591 1.00 0.00 C ATOM 1231 CG ARG A 87 5.249 -8.895 11.747 1.00 0.00 C ATOM 1232 CD ARG A 87 6.225 -7.724 11.826 1.00 0.00 C ATOM 1233 NE ARG A 87 7.607 -8.182 11.685 1.00 0.00 N ATOM 1234 CZ ARG A 87 8.656 -7.466 12.111 1.00 0.00 C ATOM 1235 NH1 ARG A 87 8.462 -6.276 12.696 1.00 0.00 N ATOM 1236 NH2 ARG A 87 9.900 -7.939 11.953 1.00 0.00 N ATOM 0 H ARG A 87 2.617 -6.866 9.491 1.00 0.00 H new ATOM 0 HA ARG A 87 3.923 -9.499 9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.815 -7.282 11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.180 -8.797 12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.323 -9.506 12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.503 -9.538 10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.996 -7.002 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.104 -7.209 12.779 1.00 0.00 H new ATOM 0 HE ARG A 87 7.779 -9.085 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.516 -5.915 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.261 -5.731 13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.049 -8.845 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.698 -7.393 12.278 1.00 0.00 H new ATOM 1250 N HIS A 88 1.691 -10.524 10.306 1.00 0.00 N ATOM 1251 CA HIS A 88 0.369 -11.113 10.371 1.00 0.00 C ATOM 1252 C HIS A 88 0.251 -11.989 11.611 1.00 0.00 C ATOM 1253 O HIS A 88 0.245 -11.485 12.732 1.00 0.00 O ATOM 1254 CB HIS A 88 0.114 -11.929 9.107 1.00 0.00 C ATOM 1255 CG HIS A 88 -1.255 -12.550 9.083 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -1.565 -13.817 8.643 1.00 0.00 N ATOM 1257 CD2 HIS A 88 -2.418 -11.957 9.497 1.00 0.00 C ATOM 1258 CE1 HIS A 88 -2.892 -13.978 8.790 1.00 0.00 C ATOM 1259 NE2 HIS A 88 -3.456 -12.873 9.306 1.00 0.00 N ATOM 0 H HIS A 88 2.453 -11.201 10.292 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.380 -10.324 10.437 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.232 -11.286 8.235 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.866 -12.714 9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.516 -10.959 9.899 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.432 -14.876 8.528 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.444 -12.731 9.516 1.00 0.00 H new ATOM 1267 N THR A 89 0.159 -13.305 11.408 1.00 0.00 N ATOM 1268 CA THR A 89 0.043 -14.239 12.509 1.00 0.00 C ATOM 1269 C THR A 89 0.899 -15.469 12.239 1.00 0.00 C ATOM 1270 O THR A 89 0.789 -16.471 12.942 1.00 0.00 O ATOM 1271 CB THR A 89 -1.421 -14.630 12.692 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.857 -15.357 11.566 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.269 -13.370 12.844 1.00 0.00 C ATOM 0 H THR A 89 0.163 -13.740 10.485 1.00 0.00 H new ATOM 0 HA THR A 89 0.398 -13.769 13.426 1.00 0.00 H new ATOM 0 HB THR A 89 -1.524 -15.247 13.585 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.797 -15.610 11.683 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.315 -13.649 12.975 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.932 -12.807 13.715 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.167 -12.753 11.951 1.00 0.00 H new ATOM 1281 N VAL A 90 1.754 -15.388 11.217 1.00 0.00 N ATOM 1282 CA VAL A 90 2.623 -16.491 10.859 1.00 0.00 C ATOM 1283 C VAL A 90 3.938 -16.376 11.617 1.00 0.00 C ATOM 1284 O VAL A 90 4.429 -15.274 11.850 1.00 0.00 O ATOM 1285 CB VAL A 90 2.865 -16.479 9.352 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.526 -16.415 8.623 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.704 -15.259 8.982 1.00 0.00 C ATOM 0 H VAL A 90 1.857 -14.563 10.626 1.00 0.00 H new ATOM 0 HA VAL A 90 2.150 -17.435 11.130 1.00 0.00 H new ATOM 0 HB VAL A 90 3.394 -17.386 9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.698 -16.406 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.926 -17.285 8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.997 -15.507 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.877 -15.249 7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.174 -14.352 9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.660 -15.303 9.503 1.00 0.00 H new ATOM 1297 N ASN A 91 4.510 -17.520 12.001 1.00 0.00 N ATOM 1298 CA ASN A 91 5.763 -17.540 12.729 1.00 0.00 C ATOM 1299 C ASN A 91 6.761 -16.600 12.068 1.00 0.00 C ATOM 1300 O ASN A 91 7.628 -16.041 12.737 1.00 0.00 O ATOM 1301 CB ASN A 91 6.306 -18.966 12.764 1.00 0.00 C ATOM 1302 CG ASN A 91 5.919 -19.662 14.061 1.00 0.00 C ATOM 1303 OD1 ASN A 91 6.693 -19.676 15.015 1.00 0.00 O ATOM 1304 ND2 ASN A 91 4.716 -20.240 14.095 1.00 0.00 N ATOM 0 H ASN A 91 4.117 -18.443 11.815 1.00 0.00 H new ATOM 0 HA ASN A 91 5.599 -17.201 13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.918 -19.528 11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.391 -18.949 12.665 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.405 -20.720 14.939 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.108 -20.202 13.277 1.00 0.00 H new ATOM 1311 N LYS A 92 6.637 -16.426 10.750 1.00 0.00 N ATOM 1312 CA LYS A 92 7.527 -15.555 10.009 1.00 0.00 C ATOM 1313 C LYS A 92 6.738 -14.405 9.399 1.00 0.00 C ATOM 1314 O LYS A 92 6.360 -13.468 10.099 1.00 0.00 O ATOM 1315 CB LYS A 92 8.236 -16.359 8.923 1.00 0.00 C ATOM 1316 CG LYS A 92 9.113 -17.426 9.571 1.00 0.00 C ATOM 1317 CD LYS A 92 10.490 -17.423 8.913 1.00 0.00 C ATOM 1318 CE LYS A 92 11.162 -18.775 9.132 1.00 0.00 C ATOM 1319 NZ LYS A 92 11.556 -19.383 7.852 1.00 0.00 N ATOM 0 H LYS A 92 5.924 -16.882 10.181 1.00 0.00 H new ATOM 0 HA LYS A 92 8.275 -15.138 10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.504 -16.826 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.845 -15.699 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.209 -17.233 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.649 -18.407 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.394 -17.221 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.104 -16.627 9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.041 -18.650 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.481 -19.442 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.011 -20.301 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.713 -19.523 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.224 -18.755 7.361 1.00 0.00 H new ATOM 1333 N ILE A 93 6.488 -14.479 8.090 1.00 0.00 N ATOM 1334 CA ILE A 93 5.746 -13.449 7.392 1.00 0.00 C ATOM 1335 C ILE A 93 4.947 -14.071 6.255 1.00 0.00 C ATOM 1336 O ILE A 93 3.739 -14.261 6.374 1.00 0.00 O ATOM 1337 CB ILE A 93 6.714 -12.396 6.861 1.00 0.00 C ATOM 1338 CG1 ILE A 93 8.098 -13.016 6.690 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.795 -11.235 7.848 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.973 -12.085 5.856 1.00 0.00 C ATOM 0 H ILE A 93 6.794 -15.250 7.497 1.00 0.00 H new ATOM 0 HA ILE A 93 5.049 -12.968 8.079 1.00 0.00 H new ATOM 0 HB ILE A 93 6.359 -12.030 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.555 -13.186 7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.015 -13.988 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.487 -10.483 7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.807 -10.791 7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.150 -11.601 8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.962 -12.527 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.518 -11.938 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.066 -11.124 6.361 1.00 0.00 H new ATOM 1352 N THR A 94 5.625 -14.388 5.149 1.00 0.00 N ATOM 1353 CA THR A 94 4.972 -14.987 4.002 1.00 0.00 C ATOM 1354 C THR A 94 3.830 -14.098 3.533 1.00 0.00 C ATOM 1355 O THR A 94 2.857 -13.898 4.256 1.00 0.00 O ATOM 1356 CB THR A 94 4.458 -16.374 4.377 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.221 -16.253 5.043 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.466 -17.059 5.296 1.00 0.00 C ATOM 0 H THR A 94 6.627 -14.236 5.032 1.00 0.00 H new ATOM 0 HA THR A 94 5.686 -15.086 3.185 1.00 0.00 H new ATOM 0 HB THR A 94 4.327 -16.969 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.077 -15.318 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.099 -18.050 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.422 -17.153 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.597 -16.464 6.200 1.00 0.00 H new ATOM 1366 N PHE A 95 3.950 -13.562 2.316 1.00 0.00 N ATOM 1367 CA PHE A 95 2.928 -12.699 1.758 1.00 0.00 C ATOM 1368 C PHE A 95 1.656 -13.498 1.510 1.00 0.00 C ATOM 1369 O PHE A 95 1.635 -14.711 1.703 1.00 0.00 O ATOM 1370 CB PHE A 95 3.440 -12.081 0.460 1.00 0.00 C ATOM 1371 CG PHE A 95 2.647 -10.876 0.012 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.485 -9.785 0.874 1.00 0.00 C ATOM 1373 CD2 PHE A 95 2.076 -10.850 -1.266 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.751 -8.667 0.458 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.343 -9.732 -1.682 1.00 0.00 C ATOM 1376 CZ PHE A 95 1.180 -8.641 -0.820 1.00 0.00 C ATOM 0 H PHE A 95 4.751 -13.716 1.703 1.00 0.00 H new ATOM 0 HA PHE A 95 2.698 -11.899 2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.483 -11.791 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.415 -12.835 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.926 -9.805 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.201 -11.692 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.626 -7.825 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.903 -9.711 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.614 -7.779 -1.141 1.00 0.00 H new ATOM 1386 N SER A 96 0.593 -12.813 1.082 1.00 0.00 N ATOM 1387 CA SER A 96 -0.674 -13.461 0.810 1.00 0.00 C ATOM 1388 C SER A 96 -1.568 -12.530 0.003 1.00 0.00 C ATOM 1389 O SER A 96 -1.885 -12.815 -1.149 1.00 0.00 O ATOM 1390 CB SER A 96 -1.341 -13.844 2.128 1.00 0.00 C ATOM 1391 OG SER A 96 -0.716 -14.993 2.655 1.00 0.00 O ATOM 0 H SER A 96 0.594 -11.806 0.919 1.00 0.00 H new ATOM 0 HA SER A 96 -0.506 -14.366 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.268 -13.020 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.402 -14.035 1.969 1.00 0.00 H new ATOM 0 HG SER A 96 0.050 -15.235 2.094 1.00 0.00 H new ATOM 1397 N GLU A 97 -1.974 -11.413 0.612 1.00 0.00 N ATOM 1398 CA GLU A 97 -2.826 -10.449 -0.054 1.00 0.00 C ATOM 1399 C GLU A 97 -4.238 -11.004 -0.182 1.00 0.00 C ATOM 1400 O GLU A 97 -4.769 -11.108 -1.286 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.246 -10.124 -1.428 1.00 0.00 C ATOM 1402 CG GLU A 97 -2.831 -8.806 -1.928 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.556 -9.001 -3.252 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -3.954 -10.157 -3.516 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -3.700 -7.992 -3.974 1.00 0.00 O ATOM 0 H GLU A 97 -1.721 -11.162 1.568 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.872 -9.533 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.160 -10.053 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.475 -10.926 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.522 -8.405 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.034 -8.073 -2.050 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.845 -11.359 0.952 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.190 -11.901 0.961 1.00 0.00 C ATOM 1415 C GLN A 98 -6.823 -11.687 2.329 1.00 0.00 C ATOM 1416 O GLN A 98 -7.981 -11.284 2.423 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.140 -13.386 0.614 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.101 -13.673 -0.536 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.597 -14.829 -1.388 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -7.264 -15.855 -1.502 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -5.416 -14.661 -1.987 1.00 0.00 N ATOM 0 H GLN A 98 -4.418 -11.278 1.875 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.799 -11.388 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.126 -13.671 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.410 -13.983 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -8.088 -13.911 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.212 -12.782 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.900 -13.790 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.030 -15.403 -2.570 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.060 -11.958 3.390 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.543 -11.795 4.746 1.00 0.00 C ATOM 1432 C CYS A 99 -6.250 -10.381 5.225 1.00 0.00 C ATOM 1433 O CYS A 99 -6.259 -9.442 4.432 1.00 0.00 O ATOM 1434 CB CYS A 99 -5.873 -12.825 5.652 1.00 0.00 C ATOM 1435 SG CYS A 99 -7.069 -13.370 6.896 1.00 0.00 S ATOM 0 H CYS A 99 -5.099 -12.293 3.326 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.621 -11.954 4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.525 -13.675 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.997 -12.391 6.135 1.00 0.00 H new ATOM 0 HG CYS A 99 -7.647 -12.333 7.426 1.00 0.00 H new ATOM 1441 N TYR A 100 -5.989 -10.229 6.526 1.00 0.00 N ATOM 1442 CA TYR A 100 -5.697 -8.931 7.099 1.00 0.00 C ATOM 1443 C TYR A 100 -4.412 -9.002 7.911 1.00 0.00 C ATOM 1444 O TYR A 100 -4.246 -9.895 8.738 1.00 0.00 O ATOM 1445 CB TYR A 100 -6.866 -8.488 7.974 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.500 -9.619 8.749 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.453 -10.440 8.135 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.135 -9.846 10.081 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.042 -11.488 8.853 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -7.724 -10.893 10.800 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.677 -11.715 10.186 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.250 -12.735 10.886 1.00 0.00 O ATOM 0 H TYR A 100 -5.976 -10.997 7.197 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.559 -8.200 6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.518 -7.728 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.623 -8.019 7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.734 -10.265 7.107 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.399 -9.213 10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.778 -12.121 8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.443 -11.067 11.828 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.884 -12.754 11.795 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.500 -8.056 7.673 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.236 -8.019 8.381 1.00 0.00 C ATOM 1464 C TYR A 101 -2.124 -6.722 9.169 1.00 0.00 C ATOM 1465 O TYR A 101 -3.085 -5.961 9.257 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.090 -8.146 7.382 1.00 0.00 C ATOM 1467 CG TYR A 101 -0.671 -9.573 7.123 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.630 -10.593 7.106 1.00 0.00 C ATOM 1469 CD2 TYR A 101 0.677 -9.877 6.900 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.242 -11.916 6.866 1.00 0.00 C ATOM 1471 CE2 TYR A 101 1.066 -11.201 6.659 1.00 0.00 C ATOM 1472 CZ TYR A 101 0.107 -12.220 6.642 1.00 0.00 C ATOM 1473 OH TYR A 101 0.485 -13.509 6.408 1.00 0.00 O ATOM 0 H TYR A 101 -3.622 -7.307 6.991 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.183 -8.852 9.082 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.388 -7.687 6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.232 -7.585 7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.670 -10.359 7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.417 -9.091 6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.982 -12.702 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.106 -11.435 6.486 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.003 -14.108 7.011 1.00 0.00 H new ATOM 1483 N VAL A 102 -0.945 -6.471 9.743 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.713 -5.269 10.520 1.00 0.00 C ATOM 1485 C VAL A 102 0.749 -4.860 10.409 1.00 0.00 C ATOM 1486 O VAL A 102 1.639 -5.625 10.774 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.095 -5.523 11.975 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.022 -4.945 12.892 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.434 -4.853 12.273 1.00 0.00 C ATOM 0 H VAL A 102 -0.138 -7.092 9.679 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.328 -4.456 10.134 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.179 -6.596 12.146 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.295 -5.127 13.931 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.934 -5.423 12.679 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.063 -3.872 12.721 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.708 -5.034 13.312 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.350 -3.780 12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.201 -5.266 11.618 1.00 0.00 H new ATOM 1499 N PHE A 103 0.995 -3.649 9.905 1.00 0.00 N ATOM 1500 CA PHE A 103 2.346 -3.147 9.751 1.00 0.00 C ATOM 1501 C PHE A 103 3.211 -3.628 10.908 1.00 0.00 C ATOM 1502 O PHE A 103 2.700 -3.925 11.986 1.00 0.00 O ATOM 1503 CB PHE A 103 2.317 -1.622 9.695 1.00 0.00 C ATOM 1504 CG PHE A 103 1.449 -0.996 10.761 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.793 -1.130 12.111 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.300 -0.284 10.399 1.00 0.00 C ATOM 1507 CE1 PHE A 103 0.988 -0.552 13.100 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.506 0.295 11.387 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.162 0.161 12.737 1.00 0.00 C ATOM 0 H PHE A 103 0.268 -3.002 9.598 1.00 0.00 H new ATOM 0 HA PHE A 103 2.775 -3.524 8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.334 -1.243 9.797 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.957 -1.309 8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.680 -1.680 12.390 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.035 -0.181 9.357 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.253 -0.656 14.142 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.393 0.845 11.107 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.783 0.607 13.499 1.00 0.00 H new ATOM 1519 N GLY A 104 4.524 -3.706 10.682 1.00 0.00 N ATOM 1520 CA GLY A 104 5.447 -4.151 11.707 1.00 0.00 C ATOM 1521 C GLY A 104 5.556 -3.106 12.809 1.00 0.00 C ATOM 1522 O GLY A 104 4.775 -2.158 12.848 1.00 0.00 O ATOM 0 H GLY A 104 4.964 -3.465 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.107 -5.098 12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.429 -4.331 11.269 1.00 0.00 H new ATOM 1526 N ASP A 105 6.530 -3.281 13.705 1.00 0.00 N ATOM 1527 CA ASP A 105 6.736 -2.356 14.801 1.00 0.00 C ATOM 1528 C ASP A 105 5.500 -2.328 15.690 1.00 0.00 C ATOM 1529 O ASP A 105 4.576 -1.555 15.446 1.00 0.00 O ATOM 1530 CB ASP A 105 7.033 -0.967 14.244 1.00 0.00 C ATOM 1531 CG ASP A 105 8.519 -0.650 14.336 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.905 -0.028 15.350 1.00 0.00 O ATOM 1533 OD2 ASP A 105 9.242 -1.036 13.392 1.00 0.00 O ATOM 0 H ASP A 105 7.187 -4.061 13.685 1.00 0.00 H new ATOM 0 HA ASP A 105 7.585 -2.681 15.402 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.709 -0.911 13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.463 -0.220 14.796 1.00 0.00 H new TER 1539 ASP A 105