USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 772 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 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.61) USER MOD Set 2.1: A 50 HIS : no HD1:sc= -7.36! C(o=-8.9!,f=-14!) USER MOD Set 2.2: A 51 THR OG1 : rot 159:sc= -1.59 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 29 SER OG : rot 4:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0468 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 1.01 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.31! C(o=-6.2!,f=-4.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 89:sc= 0.251 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 MET CE :methyl -137:sc= -4.68! (180deg=-7.45!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.211 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.976 31.619 -5.157 1.00 0.00 N ATOM 2 CA GLY A 1 14.976 30.607 -6.198 1.00 0.00 C ATOM 3 C GLY A 1 13.581 30.108 -6.520 1.00 0.00 C ATOM 4 O GLY A 1 12.681 30.179 -5.684 1.00 0.00 O ATOM 0 H1 GLY A 1 15.121 32.556 -5.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.064 31.604 -4.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.743 31.423 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.429 31.018 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.596 29.767 -5.884 1.00 0.00 H new ATOM 8 N SER A 2 13.402 29.601 -7.736 1.00 0.00 N ATOM 9 CA SER A 2 12.105 29.092 -8.168 1.00 0.00 C ATOM 10 C SER A 2 12.233 27.673 -8.713 1.00 0.00 C ATOM 11 O SER A 2 12.847 27.450 -9.756 1.00 0.00 O ATOM 12 CB SER A 2 11.505 30.009 -9.236 1.00 0.00 C ATOM 13 OG SER A 2 12.219 29.906 -10.456 1.00 0.00 O ATOM 0 H SER A 2 14.138 29.532 -8.439 1.00 0.00 H new ATOM 0 HA SER A 2 11.443 29.072 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.460 29.747 -9.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.524 31.041 -8.886 1.00 0.00 H new ATOM 0 HG SER A 2 12.802 29.119 -10.428 1.00 0.00 H new ATOM 19 N SER A 3 11.649 26.717 -7.998 1.00 0.00 N ATOM 20 CA SER A 3 11.699 25.318 -8.407 1.00 0.00 C ATOM 21 C SER A 3 11.603 25.191 -9.924 1.00 0.00 C ATOM 22 O SER A 3 10.720 25.773 -10.552 1.00 0.00 O ATOM 23 CB SER A 3 10.567 24.530 -7.745 1.00 0.00 C ATOM 24 OG SER A 3 10.790 24.389 -6.353 1.00 0.00 O ATOM 0 H SER A 3 11.136 26.885 -7.133 1.00 0.00 H new ATOM 0 HA SER A 3 12.655 24.906 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.618 25.039 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.488 23.545 -8.205 1.00 0.00 H new ATOM 0 HG SER A 3 10.052 23.883 -5.953 1.00 0.00 H new ATOM 30 N GLY A 4 12.521 24.425 -10.507 1.00 0.00 N ATOM 31 CA GLY A 4 12.523 24.235 -11.946 1.00 0.00 C ATOM 32 C GLY A 4 13.616 23.290 -12.404 1.00 0.00 C ATOM 33 O GLY A 4 14.272 23.534 -13.416 1.00 0.00 O ATOM 0 H GLY A 4 13.263 23.933 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.555 23.845 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.652 25.200 -12.437 1.00 0.00 H new ATOM 37 N SER A 5 13.813 22.209 -11.656 1.00 0.00 N ATOM 38 CA SER A 5 14.838 21.226 -11.989 1.00 0.00 C ATOM 39 C SER A 5 14.476 19.854 -11.429 1.00 0.00 C ATOM 40 O SER A 5 13.453 19.692 -10.764 1.00 0.00 O ATOM 41 CB SER A 5 16.196 21.671 -11.443 1.00 0.00 C ATOM 42 OG SER A 5 16.633 22.863 -12.071 1.00 0.00 O ATOM 0 H SER A 5 13.277 21.992 -10.816 1.00 0.00 H new ATOM 0 HA SER A 5 14.898 21.151 -13.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.125 21.829 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.931 20.882 -11.602 1.00 0.00 H new ATOM 0 HG SER A 5 17.502 23.127 -11.703 1.00 0.00 H new ATOM 48 N SER A 6 15.324 18.868 -11.704 1.00 0.00 N ATOM 49 CA SER A 6 15.094 17.507 -11.232 1.00 0.00 C ATOM 50 C SER A 6 16.399 16.719 -11.187 1.00 0.00 C ATOM 51 O SER A 6 17.367 17.060 -11.866 1.00 0.00 O ATOM 52 CB SER A 6 14.086 16.795 -12.136 1.00 0.00 C ATOM 53 OG SER A 6 14.629 16.566 -13.424 1.00 0.00 O ATOM 0 H SER A 6 16.177 18.986 -12.251 1.00 0.00 H new ATOM 0 HA SER A 6 14.689 17.563 -10.221 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.797 15.845 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.181 17.396 -12.221 1.00 0.00 H new ATOM 0 HG SER A 6 13.966 16.108 -13.982 1.00 0.00 H new ATOM 59 N GLY A 7 16.418 15.662 -10.380 1.00 0.00 N ATOM 60 CA GLY A 7 17.608 14.841 -10.260 1.00 0.00 C ATOM 61 C GLY A 7 18.185 14.857 -8.858 1.00 0.00 C ATOM 62 O GLY A 7 17.757 14.109 -7.979 1.00 0.00 O ATOM 0 H GLY A 7 15.630 15.360 -9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.367 13.815 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.362 15.194 -10.964 1.00 0.00 H new ATOM 66 N PRO A 8 19.182 15.726 -8.634 1.00 0.00 N ATOM 67 CA PRO A 8 19.840 15.857 -7.331 1.00 0.00 C ATOM 68 C PRO A 8 19.015 16.676 -6.344 1.00 0.00 C ATOM 69 O PRO A 8 19.561 17.442 -5.549 1.00 0.00 O ATOM 70 CB PRO A 8 21.147 16.579 -7.664 1.00 0.00 C ATOM 71 CG PRO A 8 20.840 17.373 -8.887 1.00 0.00 C ATOM 72 CD PRO A 8 19.743 16.649 -9.635 1.00 0.00 C ATOM 0 HA PRO A 8 19.983 14.890 -6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.464 17.223 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.956 15.871 -7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.522 18.381 -8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.728 17.474 -9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.988 17.342 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.135 16.112 -10.498 1.00 0.00 H new ATOM 80 N ASP A 9 17.698 16.511 -6.400 1.00 0.00 N ATOM 81 CA ASP A 9 16.798 17.235 -5.510 1.00 0.00 C ATOM 82 C ASP A 9 15.396 16.636 -5.551 1.00 0.00 C ATOM 83 O ASP A 9 14.974 16.084 -6.568 1.00 0.00 O ATOM 84 CB ASP A 9 16.746 18.714 -5.896 1.00 0.00 C ATOM 85 CG ASP A 9 15.894 18.963 -7.125 1.00 0.00 C ATOM 86 OD1 ASP A 9 14.694 18.620 -7.094 1.00 0.00 O ATOM 87 OD2 ASP A 9 16.428 19.499 -8.119 1.00 0.00 O ATOM 0 H ASP A 9 17.230 15.882 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 9 17.182 17.146 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.350 19.291 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.758 19.074 -6.080 1.00 0.00 H new ATOM 92 N VAL A 10 14.677 16.748 -4.439 1.00 0.00 N ATOM 93 CA VAL A 10 13.322 16.218 -4.347 1.00 0.00 C ATOM 94 C VAL A 10 12.354 17.272 -3.822 1.00 0.00 C ATOM 95 O VAL A 10 12.276 17.512 -2.617 1.00 0.00 O ATOM 96 CB VAL A 10 13.264 14.981 -3.431 1.00 0.00 C ATOM 97 CG1 VAL A 10 11.831 14.490 -3.286 1.00 0.00 C ATOM 98 CG2 VAL A 10 14.162 13.878 -3.969 1.00 0.00 C ATOM 0 H VAL A 10 15.011 17.201 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 10 13.026 15.928 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 10 13.627 15.265 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.810 13.616 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.218 15.280 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.437 14.222 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.109 13.012 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.831 13.594 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.190 14.236 -4.015 1.00 0.00 H new ATOM 108 N ASP A 11 11.617 17.897 -4.734 1.00 0.00 N ATOM 109 CA ASP A 11 10.652 18.926 -4.362 1.00 0.00 C ATOM 110 C ASP A 11 9.551 18.344 -3.481 1.00 0.00 C ATOM 111 O ASP A 11 9.412 18.716 -2.317 1.00 0.00 O ATOM 112 CB ASP A 11 10.041 19.557 -5.614 1.00 0.00 C ATOM 113 CG ASP A 11 11.040 20.396 -6.386 1.00 0.00 C ATOM 114 OD1 ASP A 11 11.913 21.019 -5.746 1.00 0.00 O ATOM 115 OD2 ASP A 11 10.950 20.429 -7.631 1.00 0.00 O ATOM 0 H ASP A 11 11.669 17.709 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 11 11.177 19.696 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.654 18.770 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.193 20.179 -5.327 1.00 0.00 H new ATOM 120 N GLY A 12 8.769 17.429 -4.046 1.00 0.00 N ATOM 121 CA GLY A 12 7.689 16.812 -3.299 1.00 0.00 C ATOM 122 C GLY A 12 7.062 15.648 -4.040 1.00 0.00 C ATOM 123 O GLY A 12 5.960 15.766 -4.575 1.00 0.00 O ATOM 0 H GLY A 12 8.864 17.104 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.068 16.465 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.924 17.559 -3.089 1.00 0.00 H new ATOM 127 N MET A 13 7.765 14.521 -4.072 1.00 0.00 N ATOM 128 CA MET A 13 7.270 13.331 -4.754 1.00 0.00 C ATOM 129 C MET A 13 5.878 12.957 -4.254 1.00 0.00 C ATOM 130 O MET A 13 5.480 13.342 -3.154 1.00 0.00 O ATOM 131 CB MET A 13 8.232 12.160 -4.545 1.00 0.00 C ATOM 132 CG MET A 13 9.546 12.312 -5.294 1.00 0.00 C ATOM 133 SD MET A 13 10.882 11.354 -4.553 1.00 0.00 S ATOM 134 CE MET A 13 11.904 11.033 -5.988 1.00 0.00 C ATOM 0 H MET A 13 8.679 14.407 -3.634 1.00 0.00 H new ATOM 0 HA MET A 13 7.206 13.553 -5.819 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.440 12.057 -3.480 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.745 11.239 -4.865 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.409 11.997 -6.328 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.828 13.365 -5.316 1.00 0.00 H new ATOM 0 HE1 MET A 13 12.774 10.447 -5.691 1.00 0.00 H new ATOM 0 HE2 MET A 13 11.328 10.478 -6.728 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.233 11.978 -6.419 1.00 0.00 H new ATOM 144 N ILE A 14 5.144 12.206 -5.067 1.00 0.00 N ATOM 145 CA ILE A 14 3.798 11.780 -4.705 1.00 0.00 C ATOM 146 C ILE A 14 3.833 10.700 -3.630 1.00 0.00 C ATOM 147 O ILE A 14 4.724 9.849 -3.617 1.00 0.00 O ATOM 148 CB ILE A 14 3.028 11.247 -5.928 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.188 12.200 -7.114 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.557 11.058 -5.588 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.787 13.625 -6.803 1.00 0.00 C ATOM 0 H ILE A 14 5.458 11.880 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 14 3.283 12.659 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 14 3.443 10.278 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.227 12.187 -7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.586 11.835 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.027 10.681 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.461 10.344 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.127 12.014 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.927 14.244 -7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.739 13.651 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.406 14.008 -5.992 1.00 0.00 H new ATOM 163 N THR A 15 2.857 10.737 -2.728 1.00 0.00 N ATOM 164 CA THR A 15 2.775 9.761 -1.649 1.00 0.00 C ATOM 165 C THR A 15 1.445 9.017 -1.680 1.00 0.00 C ATOM 166 O THR A 15 0.380 9.631 -1.757 1.00 0.00 O ATOM 167 CB THR A 15 2.944 10.431 -0.272 1.00 0.00 C ATOM 168 OG1 THR A 15 4.131 11.232 -0.260 1.00 0.00 O ATOM 169 CG2 THR A 15 3.019 9.387 0.832 1.00 0.00 C ATOM 0 H THR A 15 2.112 11.433 -2.724 1.00 0.00 H new ATOM 0 HA THR A 15 3.588 9.051 -1.802 1.00 0.00 H new ATOM 0 HB THR A 15 2.076 11.065 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.231 11.656 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.138 9.884 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.102 8.798 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.871 8.730 0.655 1.00 0.00 H new ATOM 177 N LEU A 16 1.512 7.692 -1.618 1.00 0.00 N ATOM 178 CA LEU A 16 0.312 6.863 -1.638 1.00 0.00 C ATOM 179 C LEU A 16 0.176 6.071 -0.342 1.00 0.00 C ATOM 180 O LEU A 16 1.120 5.416 0.101 1.00 0.00 O ATOM 181 CB LEU A 16 0.348 5.907 -2.832 1.00 0.00 C ATOM 182 CG LEU A 16 -0.050 6.505 -4.182 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.310 5.554 -5.313 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.537 6.825 -4.206 1.00 0.00 C ATOM 0 H LEU A 16 2.385 7.168 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.552 7.520 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.357 5.504 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.314 5.067 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 16 0.503 7.433 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.020 5.996 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.385 5.374 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.216 4.609 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.802 7.250 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.108 5.911 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.767 7.543 -3.419 1.00 0.00 H new ATOM 196 N LYS A 17 -1.006 6.133 0.262 1.00 0.00 N ATOM 197 CA LYS A 17 -1.269 5.419 1.506 1.00 0.00 C ATOM 198 C LYS A 17 -1.984 4.099 1.235 1.00 0.00 C ATOM 199 O LYS A 17 -2.945 4.048 0.467 1.00 0.00 O ATOM 200 CB LYS A 17 -2.111 6.284 2.446 1.00 0.00 C ATOM 201 CG LYS A 17 -1.851 6.013 3.918 1.00 0.00 C ATOM 202 CD LYS A 17 -2.092 7.252 4.764 1.00 0.00 C ATOM 203 CE LYS A 17 -3.537 7.335 5.231 1.00 0.00 C ATOM 204 NZ LYS A 17 -3.716 8.352 6.304 1.00 0.00 N ATOM 0 H LYS A 17 -1.798 6.671 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.312 5.203 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.909 7.335 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.167 6.114 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.499 5.206 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.823 5.675 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.429 7.238 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.843 8.142 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.178 7.583 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.857 6.360 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.714 8.378 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.124 8.102 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.435 9.287 5.946 1.00 0.00 H new ATOM 218 N VAL A 18 -1.510 3.033 1.872 1.00 0.00 N ATOM 219 CA VAL A 18 -2.106 1.713 1.701 1.00 0.00 C ATOM 220 C VAL A 18 -2.567 1.142 3.037 1.00 0.00 C ATOM 221 O VAL A 18 -1.751 0.773 3.882 1.00 0.00 O ATOM 222 CB VAL A 18 -1.116 0.730 1.049 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.832 -0.539 0.613 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.412 1.386 -0.128 1.00 0.00 C ATOM 0 H VAL A 18 -0.715 3.058 2.511 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.968 1.837 1.045 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.362 0.457 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.116 -1.221 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.285 -1.018 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.609 -0.289 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.284 0.677 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.150 1.689 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.136 2.262 0.218 1.00 0.00 H new ATOM 234 N ASP A 19 -3.881 1.070 3.222 1.00 0.00 N ATOM 235 CA ASP A 19 -4.452 0.542 4.455 1.00 0.00 C ATOM 236 C ASP A 19 -4.826 -0.929 4.295 1.00 0.00 C ATOM 237 O ASP A 19 -4.603 -1.524 3.242 1.00 0.00 O ATOM 238 CB ASP A 19 -5.684 1.353 4.861 1.00 0.00 C ATOM 239 CG ASP A 19 -5.944 1.304 6.353 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.984 1.067 7.116 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.108 1.504 6.759 1.00 0.00 O ATOM 0 H ASP A 19 -4.571 1.371 2.533 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.699 0.624 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.551 2.390 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.557 0.972 4.330 1.00 0.00 H new ATOM 246 N ASN A 20 -5.393 -1.508 5.348 1.00 0.00 N ATOM 247 CA ASN A 20 -5.796 -2.909 5.325 1.00 0.00 C ATOM 248 C ASN A 20 -4.599 -3.815 5.051 1.00 0.00 C ATOM 249 O ASN A 20 -4.722 -4.838 4.377 1.00 0.00 O ATOM 250 CB ASN A 20 -6.874 -3.134 4.262 1.00 0.00 C ATOM 251 CG ASN A 20 -7.421 -4.548 4.284 1.00 0.00 C ATOM 252 OD1 ASN A 20 -8.108 -4.933 3.214 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.230 -5.285 5.251 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.584 -1.029 6.228 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.203 -3.160 6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.690 -2.429 4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.458 -2.923 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.696 -4.947 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.605 -6.233 5.251 1.00 0.00 H new ATOM 260 N LEU A 21 -3.442 -3.432 5.579 1.00 0.00 N ATOM 261 CA LEU A 21 -2.222 -4.209 5.392 1.00 0.00 C ATOM 262 C LEU A 21 -1.929 -5.066 6.620 1.00 0.00 C ATOM 263 O LEU A 21 -1.753 -4.549 7.724 1.00 0.00 O ATOM 264 CB LEU A 21 -1.040 -3.280 5.111 1.00 0.00 C ATOM 265 CG LEU A 21 -1.002 -2.643 3.721 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.202 -1.723 3.588 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.978 -3.717 2.643 1.00 0.00 C ATOM 0 H LEU A 21 -3.323 -2.588 6.140 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.368 -4.869 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.046 -2.483 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.118 -3.844 5.256 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.905 -2.046 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.212 -1.279 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.141 -0.933 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.117 -2.296 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.951 -3.246 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.093 -4.341 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.872 -4.335 2.725 1.00 0.00 H new ATOM 279 N THR A 22 -1.875 -6.379 6.420 1.00 0.00 N ATOM 280 CA THR A 22 -1.602 -7.308 7.510 1.00 0.00 C ATOM 281 C THR A 22 -0.135 -7.259 7.919 1.00 0.00 C ATOM 282 O THR A 22 0.721 -6.827 7.147 1.00 0.00 O ATOM 283 CB THR A 22 -1.968 -8.753 7.121 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.338 -9.675 8.017 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.540 -9.053 5.692 1.00 0.00 C ATOM 0 H THR A 22 -2.017 -6.823 5.513 1.00 0.00 H new ATOM 0 HA THR A 22 -2.221 -6.999 8.352 1.00 0.00 H new ATOM 0 HB THR A 22 -3.050 -8.862 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.577 -10.591 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.809 -10.079 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.043 -8.368 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.461 -8.928 5.601 1.00 0.00 H new ATOM 293 N TYR A 23 0.150 -7.705 9.137 1.00 0.00 N ATOM 294 CA TYR A 23 1.515 -7.711 9.650 1.00 0.00 C ATOM 295 C TYR A 23 2.461 -8.402 8.672 1.00 0.00 C ATOM 296 O TYR A 23 3.556 -7.910 8.399 1.00 0.00 O ATOM 297 CB TYR A 23 1.568 -8.410 11.009 1.00 0.00 C ATOM 298 CG TYR A 23 2.902 -9.057 11.305 1.00 0.00 C ATOM 299 CD1 TYR A 23 3.225 -10.302 10.780 1.00 0.00 C ATOM 300 CD2 TYR A 23 3.841 -8.423 12.110 1.00 0.00 C ATOM 301 CE1 TYR A 23 4.442 -10.897 11.048 1.00 0.00 C ATOM 302 CE2 TYR A 23 5.062 -9.010 12.382 1.00 0.00 C ATOM 303 CZ TYR A 23 5.357 -10.247 11.850 1.00 0.00 C ATOM 304 OH TYR A 23 6.571 -10.836 12.118 1.00 0.00 O ATOM 0 H TYR A 23 -0.546 -8.067 9.788 1.00 0.00 H new ATOM 0 HA TYR A 23 1.837 -6.676 9.769 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.344 -7.684 11.791 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.788 -9.171 11.048 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.512 -10.814 10.151 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.612 -7.455 12.530 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.676 -11.866 10.632 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.781 -8.503 13.008 1.00 0.00 H new ATOM 0 HH TYR A 23 7.099 -10.248 12.697 1.00 0.00 H new ATOM 314 N ARG A 24 2.029 -9.545 8.149 1.00 0.00 N ATOM 315 CA ARG A 24 2.837 -10.305 7.203 1.00 0.00 C ATOM 316 C ARG A 24 3.438 -9.387 6.142 1.00 0.00 C ATOM 317 O ARG A 24 4.482 -9.690 5.563 1.00 0.00 O ATOM 318 CB ARG A 24 1.990 -11.389 6.533 1.00 0.00 C ATOM 319 CG ARG A 24 1.610 -12.528 7.466 1.00 0.00 C ATOM 320 CD ARG A 24 2.785 -13.460 7.715 1.00 0.00 C ATOM 321 NE ARG A 24 2.416 -14.592 8.561 1.00 0.00 N ATOM 322 CZ ARG A 24 3.238 -15.596 8.844 1.00 0.00 C ATOM 323 NH1 ARG A 24 4.469 -15.610 8.351 1.00 0.00 N ATOM 324 NH2 ARG A 24 2.829 -16.590 9.622 1.00 0.00 N ATOM 0 H ARG A 24 1.125 -9.965 8.364 1.00 0.00 H new ATOM 0 HA ARG A 24 3.650 -10.777 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.081 -10.936 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.539 -11.794 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.260 -12.121 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.782 -13.091 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.164 -13.828 6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.595 -12.904 8.187 1.00 0.00 H new ATOM 0 HE ARG A 24 1.476 -14.613 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.787 -14.848 7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.098 -16.383 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.883 -16.583 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.461 -17.361 9.839 1.00 0.00 H new ATOM 338 N THR A 25 2.773 -8.264 5.892 1.00 0.00 N ATOM 339 CA THR A 25 3.240 -7.304 4.901 1.00 0.00 C ATOM 340 C THR A 25 4.609 -6.747 5.277 1.00 0.00 C ATOM 341 O THR A 25 4.910 -6.559 6.455 1.00 0.00 O ATOM 342 CB THR A 25 2.250 -6.135 4.740 1.00 0.00 C ATOM 343 OG1 THR A 25 0.988 -6.623 4.272 1.00 0.00 O ATOM 344 CG2 THR A 25 2.790 -5.097 3.768 1.00 0.00 C ATOM 0 H THR A 25 1.908 -7.997 6.363 1.00 0.00 H new ATOM 0 HA THR A 25 3.316 -7.839 3.955 1.00 0.00 H new ATOM 0 HB THR A 25 2.119 -5.663 5.714 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.430 -6.874 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.073 -4.282 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.736 -4.706 4.142 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.948 -5.559 2.793 1.00 0.00 H new ATOM 352 N SER A 26 5.434 -6.485 4.268 1.00 0.00 N ATOM 353 CA SER A 26 6.772 -5.952 4.494 1.00 0.00 C ATOM 354 C SER A 26 7.169 -4.989 3.379 1.00 0.00 C ATOM 355 O SER A 26 6.590 -4.985 2.292 1.00 0.00 O ATOM 356 CB SER A 26 7.789 -7.092 4.584 1.00 0.00 C ATOM 357 OG SER A 26 7.409 -8.180 3.759 1.00 0.00 O ATOM 0 H SER A 26 5.199 -6.633 3.287 1.00 0.00 H new ATOM 0 HA SER A 26 6.764 -5.405 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.773 -6.731 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.874 -7.427 5.618 1.00 0.00 H new ATOM 0 HG SER A 26 8.075 -8.895 3.833 1.00 0.00 H new ATOM 363 N PRO A 27 8.180 -4.152 3.653 1.00 0.00 N ATOM 364 CA PRO A 27 8.678 -3.168 2.687 1.00 0.00 C ATOM 365 C PRO A 27 8.861 -3.764 1.295 1.00 0.00 C ATOM 366 O PRO A 27 8.512 -3.141 0.293 1.00 0.00 O ATOM 367 CB PRO A 27 10.030 -2.750 3.271 1.00 0.00 C ATOM 368 CG PRO A 27 9.888 -2.958 4.740 1.00 0.00 C ATOM 369 CD PRO A 27 8.916 -4.102 4.928 1.00 0.00 C ATOM 0 HA PRO A 27 7.982 -2.340 2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.841 -3.352 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.257 -1.710 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.852 -3.192 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.519 -2.054 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.435 -5.039 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.247 -3.924 5.769 1.00 0.00 H new ATOM 377 N ASP A 28 9.409 -4.973 1.242 1.00 0.00 N ATOM 378 CA ASP A 28 9.636 -5.653 -0.028 1.00 0.00 C ATOM 379 C ASP A 28 8.331 -5.811 -0.801 1.00 0.00 C ATOM 380 O ASP A 28 8.177 -5.271 -1.896 1.00 0.00 O ATOM 381 CB ASP A 28 10.271 -7.024 0.210 1.00 0.00 C ATOM 382 CG ASP A 28 11.629 -6.925 0.878 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.444 -6.086 0.442 1.00 0.00 O ATOM 384 OD2 ASP A 28 11.876 -7.687 1.836 1.00 0.00 O ATOM 0 H ASP A 28 9.704 -5.502 2.063 1.00 0.00 H new ATOM 0 HA ASP A 28 10.317 -5.043 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.607 -7.626 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.375 -7.543 -0.743 1.00 0.00 H new ATOM 389 N SER A 29 7.393 -6.556 -0.224 1.00 0.00 N ATOM 390 CA SER A 29 6.103 -6.790 -0.861 1.00 0.00 C ATOM 391 C SER A 29 5.449 -5.471 -1.264 1.00 0.00 C ATOM 392 O SER A 29 5.161 -5.240 -2.439 1.00 0.00 O ATOM 393 CB SER A 29 5.178 -7.564 0.080 1.00 0.00 C ATOM 394 OG SER A 29 5.337 -7.132 1.420 1.00 0.00 O ATOM 0 H SER A 29 7.503 -7.008 0.684 1.00 0.00 H new ATOM 0 HA SER A 29 6.272 -7.382 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.142 -7.427 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.393 -8.630 0.010 1.00 0.00 H new ATOM 0 HG SER A 29 5.968 -6.383 1.449 1.00 0.00 H new ATOM 400 N LEU A 30 5.217 -4.609 -0.280 1.00 0.00 N ATOM 401 CA LEU A 30 4.597 -3.312 -0.529 1.00 0.00 C ATOM 402 C LEU A 30 5.318 -2.571 -1.650 1.00 0.00 C ATOM 403 O LEU A 30 4.724 -1.744 -2.344 1.00 0.00 O ATOM 404 CB LEU A 30 4.606 -2.467 0.745 1.00 0.00 C ATOM 405 CG LEU A 30 3.942 -1.093 0.645 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.439 -1.240 0.459 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.250 -0.260 1.880 1.00 0.00 C ATOM 0 H LEU A 30 5.449 -4.785 0.698 1.00 0.00 H new ATOM 0 HA LEU A 30 3.565 -3.483 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.110 -3.031 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.641 -2.326 1.056 1.00 0.00 H new ATOM 0 HG LEU A 30 4.347 -0.577 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.983 -0.253 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.238 -1.797 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.018 -1.776 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.769 0.714 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.874 -0.771 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.328 -0.126 1.969 1.00 0.00 H new ATOM 419 N ARG A 31 6.600 -2.873 -1.824 1.00 0.00 N ATOM 420 CA ARG A 31 7.402 -2.236 -2.862 1.00 0.00 C ATOM 421 C ARG A 31 7.163 -2.897 -4.216 1.00 0.00 C ATOM 422 O ARG A 31 7.318 -2.266 -5.262 1.00 0.00 O ATOM 423 CB ARG A 31 8.888 -2.307 -2.504 1.00 0.00 C ATOM 424 CG ARG A 31 9.793 -1.636 -3.524 1.00 0.00 C ATOM 425 CD ARG A 31 11.257 -1.953 -3.264 1.00 0.00 C ATOM 426 NE ARG A 31 12.083 -1.735 -4.448 1.00 0.00 N ATOM 427 CZ ARG A 31 12.127 -2.573 -5.478 1.00 0.00 C ATOM 428 NH1 ARG A 31 11.396 -3.679 -5.468 1.00 0.00 N ATOM 429 NH2 ARG A 31 12.904 -2.306 -6.520 1.00 0.00 N ATOM 0 H ARG A 31 7.106 -3.555 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 31 7.100 -1.191 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.041 -1.839 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.179 -3.353 -2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.521 -1.966 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.642 -0.557 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.623 -1.331 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.352 -2.990 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 31 12.658 -0.893 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.798 -3.888 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.431 -4.321 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.468 -1.457 -6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.937 -2.950 -7.310 1.00 0.00 H new ATOM 443 N ARG A 32 6.784 -4.171 -4.189 1.00 0.00 N ATOM 444 CA ARG A 32 6.525 -4.917 -5.414 1.00 0.00 C ATOM 445 C ARG A 32 5.078 -4.738 -5.864 1.00 0.00 C ATOM 446 O ARG A 32 4.719 -5.085 -6.990 1.00 0.00 O ATOM 447 CB ARG A 32 6.824 -6.403 -5.204 1.00 0.00 C ATOM 448 CG ARG A 32 6.846 -7.207 -6.494 1.00 0.00 C ATOM 449 CD ARG A 32 7.212 -8.661 -6.237 1.00 0.00 C ATOM 450 NE ARG A 32 7.024 -9.491 -7.424 1.00 0.00 N ATOM 451 CZ ARG A 32 5.852 -10.003 -7.784 1.00 0.00 C ATOM 452 NH1 ARG A 32 4.771 -9.772 -7.053 1.00 0.00 N ATOM 453 NH2 ARG A 32 5.761 -10.748 -8.878 1.00 0.00 N ATOM 0 H ARG A 32 6.650 -4.708 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 32 7.181 -4.527 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.788 -6.504 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.074 -6.825 -4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.868 -7.156 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.563 -6.767 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.251 -8.721 -5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.601 -9.050 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 32 7.836 -9.688 -8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.837 -9.200 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.873 -10.166 -7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.591 -10.928 -9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.861 -11.141 -9.154 1.00 0.00 H new ATOM 467 N VAL A 33 4.251 -4.194 -4.977 1.00 0.00 N ATOM 468 CA VAL A 33 2.843 -3.968 -5.283 1.00 0.00 C ATOM 469 C VAL A 33 2.673 -2.821 -6.273 1.00 0.00 C ATOM 470 O VAL A 33 1.808 -2.864 -7.148 1.00 0.00 O ATOM 471 CB VAL A 33 2.035 -3.656 -4.009 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.705 -3.009 -4.365 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.820 -4.921 -3.192 1.00 0.00 C ATOM 0 H VAL A 33 4.531 -3.902 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 33 2.464 -4.888 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 33 2.604 -2.951 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.148 -2.796 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.886 -2.080 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.127 -3.687 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.248 -4.682 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.273 -5.651 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.786 -5.338 -2.906 1.00 0.00 H new ATOM 483 N PHE A 34 3.505 -1.794 -6.130 1.00 0.00 N ATOM 484 CA PHE A 34 3.447 -0.634 -7.011 1.00 0.00 C ATOM 485 C PHE A 34 4.525 -0.715 -8.088 1.00 0.00 C ATOM 486 O PHE A 34 4.300 -0.333 -9.236 1.00 0.00 O ATOM 487 CB PHE A 34 3.612 0.655 -6.204 1.00 0.00 C ATOM 488 CG PHE A 34 2.478 0.916 -5.254 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.179 1.034 -5.720 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.712 1.045 -3.894 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.134 1.274 -4.849 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.671 1.285 -3.018 1.00 0.00 C ATOM 493 CZ PHE A 34 0.380 1.401 -3.496 1.00 0.00 C ATOM 0 H PHE A 34 4.227 -1.742 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 34 2.472 -0.627 -7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.544 0.605 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.700 1.496 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.981 0.937 -6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.719 0.957 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.874 1.362 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.866 1.382 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.435 1.591 -2.813 1.00 0.00 H new ATOM 503 N GLU A 35 5.697 -1.213 -7.707 1.00 0.00 N ATOM 504 CA GLU A 35 6.811 -1.343 -8.639 1.00 0.00 C ATOM 505 C GLU A 35 6.340 -1.916 -9.973 1.00 0.00 C ATOM 506 O GLU A 35 6.970 -1.705 -11.010 1.00 0.00 O ATOM 507 CB GLU A 35 7.902 -2.235 -8.045 1.00 0.00 C ATOM 508 CG GLU A 35 8.942 -1.473 -7.242 1.00 0.00 C ATOM 509 CD GLU A 35 10.065 -0.932 -8.106 1.00 0.00 C ATOM 510 OE1 GLU A 35 10.326 -1.521 -9.176 1.00 0.00 O ATOM 511 OE2 GLU A 35 10.683 0.080 -7.713 1.00 0.00 O ATOM 0 H GLU A 35 5.900 -1.533 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 35 7.222 -0.349 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.438 -2.984 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.400 -2.771 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.459 -0.646 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.360 -2.130 -6.479 1.00 0.00 H new ATOM 518 N LYS A 36 5.229 -2.643 -9.939 1.00 0.00 N ATOM 519 CA LYS A 36 4.671 -3.247 -11.143 1.00 0.00 C ATOM 520 C LYS A 36 4.384 -2.186 -12.201 1.00 0.00 C ATOM 521 O LYS A 36 4.639 -2.394 -13.387 1.00 0.00 O ATOM 522 CB LYS A 36 3.387 -4.010 -10.808 1.00 0.00 C ATOM 523 CG LYS A 36 3.007 -5.047 -11.850 1.00 0.00 C ATOM 524 CD LYS A 36 1.533 -5.406 -11.767 1.00 0.00 C ATOM 525 CE LYS A 36 1.151 -6.438 -12.818 1.00 0.00 C ATOM 526 NZ LYS A 36 1.406 -7.828 -12.348 1.00 0.00 N ATOM 0 H LYS A 36 4.696 -2.829 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 36 5.406 -3.945 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.509 -4.504 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.569 -3.298 -10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.234 -4.664 -12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.610 -5.944 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.308 -5.795 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.930 -4.508 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.096 -6.327 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.717 -6.254 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.133 -8.502 -13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.417 -7.942 -12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.846 -8.013 -11.491 1.00 0.00 H new ATOM 540 N TYR A 37 3.853 -1.050 -11.763 1.00 0.00 N ATOM 541 CA TYR A 37 3.531 0.043 -12.673 1.00 0.00 C ATOM 542 C TYR A 37 4.603 1.127 -12.624 1.00 0.00 C ATOM 543 O TYR A 37 5.162 1.510 -13.651 1.00 0.00 O ATOM 544 CB TYR A 37 2.168 0.642 -12.321 1.00 0.00 C ATOM 545 CG TYR A 37 1.124 -0.394 -11.968 1.00 0.00 C ATOM 546 CD1 TYR A 37 1.105 -0.989 -10.712 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.158 -0.777 -12.889 1.00 0.00 C ATOM 548 CE1 TYR A 37 0.154 -1.936 -10.385 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.798 -1.723 -12.571 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.795 -2.299 -11.317 1.00 0.00 C ATOM 551 OH TYR A 37 -1.745 -3.242 -10.997 1.00 0.00 O ATOM 0 H TYR A 37 3.637 -0.862 -10.784 1.00 0.00 H new ATOM 0 HA TYR A 37 3.494 -0.360 -13.685 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.287 1.326 -11.481 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.811 1.232 -13.165 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.846 -0.706 -9.979 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.154 -0.328 -13.871 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.154 -2.390 -9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.542 -2.010 -13.299 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.338 -3.382 -11.764 1.00 0.00 H new ATOM 561 N GLY A 38 4.885 1.618 -11.421 1.00 0.00 N ATOM 562 CA GLY A 38 5.890 2.652 -11.259 1.00 0.00 C ATOM 563 C GLY A 38 6.782 2.411 -10.058 1.00 0.00 C ATOM 564 O GLY A 38 6.297 2.239 -8.939 1.00 0.00 O ATOM 0 H GLY A 38 4.435 1.318 -10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.503 2.702 -12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.398 3.619 -11.154 1.00 0.00 H new ATOM 568 N ARG A 39 8.091 2.396 -10.288 1.00 0.00 N ATOM 569 CA ARG A 39 9.054 2.170 -9.217 1.00 0.00 C ATOM 570 C ARG A 39 8.678 2.969 -7.972 1.00 0.00 C ATOM 571 O ARG A 39 7.934 3.947 -8.050 1.00 0.00 O ATOM 572 CB ARG A 39 10.461 2.554 -9.677 1.00 0.00 C ATOM 573 CG ARG A 39 11.011 1.653 -10.771 1.00 0.00 C ATOM 574 CD ARG A 39 12.531 1.606 -10.743 1.00 0.00 C ATOM 575 NE ARG A 39 13.096 1.374 -12.069 1.00 0.00 N ATOM 576 CZ ARG A 39 13.074 2.275 -13.045 1.00 0.00 C ATOM 577 NH1 ARG A 39 12.517 3.462 -12.844 1.00 0.00 N ATOM 578 NH2 ARG A 39 13.609 1.990 -14.225 1.00 0.00 N ATOM 0 H ARG A 39 8.509 2.538 -11.207 1.00 0.00 H new ATOM 0 HA ARG A 39 9.039 1.109 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.448 3.583 -10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.135 2.525 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.613 0.646 -10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.675 2.013 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.915 2.545 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.857 0.816 -10.067 1.00 0.00 H new ATOM 0 HE ARG A 39 13.531 0.471 -12.256 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.104 3.685 -11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.502 4.152 -13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.038 1.078 -14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.591 2.683 -14.974 1.00 0.00 H new ATOM 592 N VAL A 40 9.198 2.545 -6.824 1.00 0.00 N ATOM 593 CA VAL A 40 8.919 3.221 -5.563 1.00 0.00 C ATOM 594 C VAL A 40 10.162 3.923 -5.028 1.00 0.00 C ATOM 595 O VAL A 40 11.179 3.286 -4.757 1.00 0.00 O ATOM 596 CB VAL A 40 8.403 2.234 -4.500 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.328 2.906 -3.137 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.045 1.677 -4.904 1.00 0.00 C ATOM 0 H VAL A 40 9.815 1.737 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 40 8.146 3.962 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 40 9.105 1.403 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.961 2.192 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.320 3.251 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.649 3.757 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.696 0.981 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.331 2.495 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.134 1.156 -5.857 1.00 0.00 H new ATOM 608 N GLY A 41 10.073 5.241 -4.878 1.00 0.00 N ATOM 609 CA GLY A 41 11.197 6.008 -4.375 1.00 0.00 C ATOM 610 C GLY A 41 11.592 5.605 -2.969 1.00 0.00 C ATOM 611 O GLY A 41 12.776 5.450 -2.669 1.00 0.00 O ATOM 0 H GLY A 41 9.242 5.791 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.050 5.876 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.944 7.068 -4.388 1.00 0.00 H new ATOM 615 N ASP A 42 10.599 5.435 -2.103 1.00 0.00 N ATOM 616 CA ASP A 42 10.848 5.048 -0.719 1.00 0.00 C ATOM 617 C ASP A 42 9.653 4.298 -0.141 1.00 0.00 C ATOM 618 O ASP A 42 8.524 4.456 -0.605 1.00 0.00 O ATOM 619 CB ASP A 42 11.152 6.282 0.132 1.00 0.00 C ATOM 620 CG ASP A 42 11.128 5.982 1.617 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.874 5.080 2.052 1.00 0.00 O ATOM 622 OD2 ASP A 42 10.362 6.647 2.346 1.00 0.00 O ATOM 0 H ASP A 42 9.614 5.559 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 42 11.712 4.384 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.132 6.675 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.423 7.061 -0.090 1.00 0.00 H new ATOM 627 N VAL A 43 9.909 3.479 0.874 1.00 0.00 N ATOM 628 CA VAL A 43 8.855 2.703 1.516 1.00 0.00 C ATOM 629 C VAL A 43 8.914 2.844 3.033 1.00 0.00 C ATOM 630 O VAL A 43 9.944 2.574 3.652 1.00 0.00 O ATOM 631 CB VAL A 43 8.950 1.211 1.146 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.629 0.508 1.416 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.363 1.049 -0.309 1.00 0.00 C ATOM 0 H VAL A 43 10.838 3.336 1.270 1.00 0.00 H new ATOM 0 HA VAL A 43 7.906 3.099 1.154 1.00 0.00 H new ATOM 0 HB VAL A 43 9.714 0.747 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.716 -0.545 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.380 0.594 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.842 0.970 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.425 -0.011 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.624 1.527 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.336 1.515 -0.465 1.00 0.00 H new ATOM 643 N TYR A 44 7.804 3.269 3.626 1.00 0.00 N ATOM 644 CA TYR A 44 7.730 3.448 5.071 1.00 0.00 C ATOM 645 C TYR A 44 6.429 2.876 5.625 1.00 0.00 C ATOM 646 O TYR A 44 5.378 2.968 4.991 1.00 0.00 O ATOM 647 CB TYR A 44 7.841 4.931 5.429 1.00 0.00 C ATOM 648 CG TYR A 44 7.940 5.190 6.915 1.00 0.00 C ATOM 649 CD1 TYR A 44 9.147 5.042 7.587 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.827 5.582 7.648 1.00 0.00 C ATOM 651 CE1 TYR A 44 9.243 5.276 8.945 1.00 0.00 C ATOM 652 CE2 TYR A 44 6.913 5.820 9.006 1.00 0.00 C ATOM 653 CZ TYR A 44 8.123 5.666 9.650 1.00 0.00 C ATOM 654 OH TYR A 44 8.213 5.901 11.003 1.00 0.00 O ATOM 0 H TYR A 44 6.943 3.496 3.128 1.00 0.00 H new ATOM 0 HA TYR A 44 8.564 2.909 5.521 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.718 5.350 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.972 5.457 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.026 4.739 7.038 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.878 5.703 7.147 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.189 5.154 9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.038 6.125 9.560 1.00 0.00 H new ATOM 0 HH TYR A 44 7.335 6.168 11.348 1.00 0.00 H new ATOM 664 N ILE A 45 6.509 2.285 6.813 1.00 0.00 N ATOM 665 CA ILE A 45 5.338 1.699 7.454 1.00 0.00 C ATOM 666 C ILE A 45 5.237 2.131 8.913 1.00 0.00 C ATOM 667 O ILE A 45 5.815 1.516 9.810 1.00 0.00 O ATOM 668 CB ILE A 45 5.370 0.161 7.386 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.553 -0.304 5.940 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.096 -0.422 7.979 1.00 0.00 C ATOM 671 CD1 ILE A 45 5.948 -1.759 5.818 1.00 0.00 C ATOM 0 H ILE A 45 7.372 2.199 7.350 1.00 0.00 H new ATOM 0 HA ILE A 45 4.466 2.060 6.909 1.00 0.00 H new ATOM 0 HB ILE A 45 6.217 -0.196 7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.624 -0.141 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.315 0.312 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.134 -1.510 7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.006 -0.115 9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.235 -0.060 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.060 -2.019 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.893 -1.924 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.176 -2.384 6.266 1.00 0.00 H new ATOM 683 N PRO A 46 4.483 3.212 9.160 1.00 0.00 N ATOM 684 CA PRO A 46 4.286 3.749 10.509 1.00 0.00 C ATOM 685 C PRO A 46 3.917 2.665 11.516 1.00 0.00 C ATOM 686 O PRO A 46 3.366 1.626 11.150 1.00 0.00 O ATOM 687 CB PRO A 46 3.126 4.733 10.334 1.00 0.00 C ATOM 688 CG PRO A 46 3.213 5.171 8.913 1.00 0.00 C ATOM 689 CD PRO A 46 3.765 3.994 8.139 1.00 0.00 C ATOM 0 HA PRO A 46 5.194 4.205 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.168 4.257 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.218 5.579 11.015 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.233 5.460 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.862 6.041 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.969 3.411 7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.432 4.317 7.340 1.00 0.00 H new ATOM 697 N ARG A 47 4.224 2.913 12.785 1.00 0.00 N ATOM 698 CA ARG A 47 3.925 1.958 13.845 1.00 0.00 C ATOM 699 C ARG A 47 3.170 2.631 14.987 1.00 0.00 C ATOM 700 O ARG A 47 2.931 3.837 14.959 1.00 0.00 O ATOM 701 CB ARG A 47 5.216 1.328 14.372 1.00 0.00 C ATOM 702 CG ARG A 47 6.139 0.823 13.276 1.00 0.00 C ATOM 703 CD ARG A 47 7.106 1.904 12.820 1.00 0.00 C ATOM 704 NE ARG A 47 8.219 2.071 13.750 1.00 0.00 N ATOM 705 CZ ARG A 47 9.184 1.172 13.911 1.00 0.00 C ATOM 706 NH1 ARG A 47 9.171 0.048 13.207 1.00 0.00 N ATOM 707 NH2 ARG A 47 10.163 1.396 14.778 1.00 0.00 N ATOM 0 H ARG A 47 4.680 3.768 13.104 1.00 0.00 H new ATOM 0 HA ARG A 47 3.292 1.175 13.427 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.750 2.063 14.974 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.962 0.499 15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.700 -0.038 13.639 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.546 0.483 12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.493 1.651 11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.572 2.849 12.720 1.00 0.00 H new ATOM 0 HE ARG A 47 8.258 2.925 14.307 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.419 -0.128 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.913 -0.641 13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.175 2.259 15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.903 0.705 14.901 1.00 0.00 H new ATOM 721 N GLU A 48 2.798 1.841 15.990 1.00 0.00 N ATOM 722 CA GLU A 48 2.070 2.362 17.141 1.00 0.00 C ATOM 723 C GLU A 48 2.974 3.233 18.009 1.00 0.00 C ATOM 724 O GLU A 48 4.164 2.964 18.175 1.00 0.00 O ATOM 725 CB GLU A 48 1.500 1.212 17.974 1.00 0.00 C ATOM 726 CG GLU A 48 0.210 1.565 18.697 1.00 0.00 C ATOM 727 CD GLU A 48 -0.612 0.342 19.054 1.00 0.00 C ATOM 728 OE1 GLU A 48 -0.406 -0.716 18.424 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.462 0.444 19.964 1.00 0.00 O ATOM 0 H GLU A 48 2.989 0.840 16.028 1.00 0.00 H new ATOM 0 HA GLU A 48 1.249 2.976 16.771 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.319 0.357 17.322 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.244 0.902 18.707 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.447 2.117 19.607 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.385 2.227 18.068 1.00 0.00 H new ATOM 736 N PRO A 49 2.397 4.304 18.575 1.00 0.00 N ATOM 737 CA PRO A 49 3.131 5.237 19.434 1.00 0.00 C ATOM 738 C PRO A 49 3.974 4.519 20.483 1.00 0.00 C ATOM 739 O PRO A 49 5.024 5.012 20.894 1.00 0.00 O ATOM 740 CB PRO A 49 2.021 6.050 20.105 1.00 0.00 C ATOM 741 CG PRO A 49 0.887 6.011 19.140 1.00 0.00 C ATOM 742 CD PRO A 49 0.983 4.685 18.419 1.00 0.00 C ATOM 0 HA PRO A 49 3.838 5.842 18.867 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.739 5.618 21.065 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.342 7.074 20.298 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.067 6.102 19.659 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.948 6.841 18.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.317 3.942 18.858 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.707 4.779 17.369 1.00 0.00 H new ATOM 750 N HIS A 50 3.507 3.351 20.912 1.00 0.00 N ATOM 751 CA HIS A 50 4.218 2.564 21.913 1.00 0.00 C ATOM 752 C HIS A 50 4.759 1.273 21.305 1.00 0.00 C ATOM 753 O HIS A 50 5.966 1.029 21.309 1.00 0.00 O ATOM 754 CB HIS A 50 3.296 2.241 23.089 1.00 0.00 C ATOM 755 CG HIS A 50 1.978 1.662 22.675 1.00 0.00 C ATOM 756 ND1 HIS A 50 1.550 0.411 23.063 1.00 0.00 N ATOM 757 CD2 HIS A 50 0.991 2.173 21.902 1.00 0.00 C ATOM 758 CE1 HIS A 50 0.357 0.176 22.547 1.00 0.00 C ATOM 759 NE2 HIS A 50 -0.005 1.230 21.838 1.00 0.00 N ATOM 0 H HIS A 50 2.639 2.929 20.582 1.00 0.00 H new ATOM 0 HA HIS A 50 5.059 3.156 22.274 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.800 1.538 23.753 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.120 3.151 23.663 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.988 3.142 21.425 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.224 -0.725 22.682 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.882 1.328 21.326 1.00 0.00 H new ATOM 767 N THR A 51 3.857 0.447 20.783 1.00 0.00 N ATOM 768 CA THR A 51 4.243 -0.819 20.173 1.00 0.00 C ATOM 769 C THR A 51 4.794 -0.608 18.768 1.00 0.00 C ATOM 770 O THR A 51 4.196 0.098 17.955 1.00 0.00 O ATOM 771 CB THR A 51 3.053 -1.795 20.105 1.00 0.00 C ATOM 772 OG1 THR A 51 1.903 -1.129 19.570 1.00 0.00 O ATOM 773 CG2 THR A 51 2.728 -2.350 21.483 1.00 0.00 C ATOM 0 H THR A 51 2.854 0.633 20.771 1.00 0.00 H new ATOM 0 HA THR A 51 5.021 -1.249 20.804 1.00 0.00 H new ATOM 0 HB THR A 51 3.329 -2.624 19.453 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.276 -1.793 19.215 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.885 -3.036 21.409 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.595 -2.881 21.875 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.471 -1.530 22.154 1.00 0.00 H new ATOM 781 N LYS A 52 5.936 -1.225 18.486 1.00 0.00 N ATOM 782 CA LYS A 52 6.568 -1.106 17.178 1.00 0.00 C ATOM 783 C LYS A 52 5.927 -2.061 16.176 1.00 0.00 C ATOM 784 O LYS A 52 6.535 -3.053 15.774 1.00 0.00 O ATOM 785 CB LYS A 52 8.068 -1.393 17.285 1.00 0.00 C ATOM 786 CG LYS A 52 8.894 -0.178 17.669 1.00 0.00 C ATOM 787 CD LYS A 52 10.381 -0.437 17.495 1.00 0.00 C ATOM 788 CE LYS A 52 10.959 -1.183 18.688 1.00 0.00 C ATOM 789 NZ LYS A 52 12.199 -1.926 18.330 1.00 0.00 N ATOM 0 H LYS A 52 6.443 -1.813 19.147 1.00 0.00 H new ATOM 0 HA LYS A 52 6.424 -0.085 16.824 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.227 -2.178 18.024 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.425 -1.777 16.329 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.598 0.673 17.056 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.689 0.089 18.706 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.547 -1.016 16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.904 0.511 17.369 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.178 -0.475 19.488 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.216 -1.881 19.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.562 -2.421 19.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.985 -2.619 17.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.917 -1.257 17.985 1.00 0.00 H new ATOM 803 N ALA A 53 4.698 -1.754 15.776 1.00 0.00 N ATOM 804 CA ALA A 53 3.977 -2.583 14.818 1.00 0.00 C ATOM 805 C ALA A 53 3.153 -1.727 13.861 1.00 0.00 C ATOM 806 O ALA A 53 2.561 -0.719 14.246 1.00 0.00 O ATOM 807 CB ALA A 53 3.081 -3.574 15.547 1.00 0.00 C ATOM 0 H ALA A 53 4.180 -0.937 16.100 1.00 0.00 H new ATOM 0 HA ALA A 53 4.710 -3.136 14.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.549 -4.187 14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.690 -4.215 16.184 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.362 -3.031 16.160 1.00 0.00 H new ATOM 813 N PRO A 54 3.114 -2.136 12.585 1.00 0.00 N ATOM 814 CA PRO A 54 2.366 -1.420 11.547 1.00 0.00 C ATOM 815 C PRO A 54 0.952 -1.065 11.992 1.00 0.00 C ATOM 816 O PRO A 54 0.042 -1.892 11.920 1.00 0.00 O ATOM 817 CB PRO A 54 2.327 -2.418 10.386 1.00 0.00 C ATOM 818 CG PRO A 54 3.544 -3.257 10.567 1.00 0.00 C ATOM 819 CD PRO A 54 3.797 -3.329 12.056 1.00 0.00 C ATOM 0 HA PRO A 54 2.831 -0.467 11.293 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.421 -3.023 10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.338 -1.906 9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.394 -4.253 10.150 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.398 -2.820 10.049 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.393 -4.245 12.487 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.863 -3.313 12.282 1.00 0.00 H new ATOM 827 N ARG A 55 0.774 0.169 12.452 1.00 0.00 N ATOM 828 CA ARG A 55 -0.531 0.633 12.910 1.00 0.00 C ATOM 829 C ARG A 55 -1.648 0.046 12.052 1.00 0.00 C ATOM 830 O ARG A 55 -2.521 -0.663 12.551 1.00 0.00 O ATOM 831 CB ARG A 55 -0.594 2.161 12.874 1.00 0.00 C ATOM 832 CG ARG A 55 0.449 2.834 13.751 1.00 0.00 C ATOM 833 CD ARG A 55 0.150 4.314 13.936 1.00 0.00 C ATOM 834 NE ARG A 55 0.726 5.127 12.869 1.00 0.00 N ATOM 835 CZ ARG A 55 0.694 6.455 12.858 1.00 0.00 C ATOM 836 NH1 ARG A 55 0.118 7.116 13.853 1.00 0.00 N ATOM 837 NH2 ARG A 55 1.241 7.125 11.851 1.00 0.00 N ATOM 0 H ARG A 55 1.516 0.865 12.518 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.670 0.295 13.937 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.464 2.497 11.845 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.586 2.483 13.191 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.479 2.343 14.724 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.435 2.714 13.303 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.929 4.465 13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.543 4.646 14.897 1.00 0.00 H new ATOM 0 HE ARG A 55 1.178 4.649 12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.302 6.605 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.095 8.136 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.686 6.620 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.216 8.145 11.843 1.00 0.00 H new ATOM 851 N GLY A 56 -1.614 0.349 10.758 1.00 0.00 N ATOM 852 CA GLY A 56 -2.630 -0.155 9.852 1.00 0.00 C ATOM 853 C GLY A 56 -2.421 0.317 8.427 1.00 0.00 C ATOM 854 O GLY A 56 -2.730 -0.400 7.475 1.00 0.00 O ATOM 0 H GLY A 56 -0.902 0.934 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.625 -1.245 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.613 0.166 10.198 1.00 0.00 H new ATOM 858 N PHE A 57 -1.897 1.530 8.278 1.00 0.00 N ATOM 859 CA PHE A 57 -1.651 2.099 6.958 1.00 0.00 C ATOM 860 C PHE A 57 -0.154 2.260 6.706 1.00 0.00 C ATOM 861 O PHE A 57 0.638 2.345 7.644 1.00 0.00 O ATOM 862 CB PHE A 57 -2.350 3.453 6.825 1.00 0.00 C ATOM 863 CG PHE A 57 -1.940 4.446 7.875 1.00 0.00 C ATOM 864 CD1 PHE A 57 -2.414 4.338 9.172 1.00 0.00 C ATOM 865 CD2 PHE A 57 -1.080 5.487 7.565 1.00 0.00 C ATOM 866 CE1 PHE A 57 -2.039 5.251 10.140 1.00 0.00 C ATOM 867 CE2 PHE A 57 -0.700 6.402 8.528 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.180 6.283 9.818 1.00 0.00 C ATOM 0 H PHE A 57 -1.635 2.137 9.055 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.056 1.414 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.135 3.868 5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.428 3.303 6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.084 3.531 9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.702 5.584 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.418 5.157 11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.029 7.209 8.273 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.884 6.996 10.573 1.00 0.00 H new ATOM 878 N ALA A 58 0.224 2.301 5.433 1.00 0.00 N ATOM 879 CA ALA A 58 1.624 2.453 5.057 1.00 0.00 C ATOM 880 C ALA A 58 1.809 3.615 4.087 1.00 0.00 C ATOM 881 O ALA A 58 0.843 4.115 3.511 1.00 0.00 O ATOM 882 CB ALA A 58 2.149 1.163 4.444 1.00 0.00 C ATOM 0 H ALA A 58 -0.419 2.231 4.645 1.00 0.00 H new ATOM 0 HA ALA A 58 2.195 2.673 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.196 1.291 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.061 0.354 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.567 0.919 3.556 1.00 0.00 H new ATOM 888 N PHE A 59 3.056 4.041 3.912 1.00 0.00 N ATOM 889 CA PHE A 59 3.367 5.146 3.013 1.00 0.00 C ATOM 890 C PHE A 59 4.281 4.685 1.881 1.00 0.00 C ATOM 891 O PHE A 59 5.299 4.035 2.116 1.00 0.00 O ATOM 892 CB PHE A 59 4.029 6.289 3.785 1.00 0.00 C ATOM 893 CG PHE A 59 3.059 7.120 4.575 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.005 7.763 3.946 1.00 0.00 C ATOM 895 CD2 PHE A 59 3.200 7.257 5.946 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.111 8.529 4.671 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.309 8.021 6.676 1.00 0.00 C ATOM 898 CZ PHE A 59 1.263 8.657 6.037 1.00 0.00 C ATOM 0 H PHE A 59 3.867 3.638 4.381 1.00 0.00 H new ATOM 0 HA PHE A 59 2.433 5.503 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.776 5.875 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.558 6.933 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.880 7.665 2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.016 6.761 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.294 9.027 4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.431 8.120 7.745 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.565 9.254 6.605 1.00 0.00 H new ATOM 908 N VAL A 60 3.908 5.027 0.651 1.00 0.00 N ATOM 909 CA VAL A 60 4.694 4.650 -0.518 1.00 0.00 C ATOM 910 C VAL A 60 4.949 5.853 -1.419 1.00 0.00 C ATOM 911 O VAL A 60 4.013 6.510 -1.875 1.00 0.00 O ATOM 912 CB VAL A 60 3.990 3.550 -1.335 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.825 3.170 -2.549 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.716 2.334 -0.464 1.00 0.00 C ATOM 0 H VAL A 60 3.067 5.564 0.439 1.00 0.00 H new ATOM 0 HA VAL A 60 5.646 4.267 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 60 3.035 3.938 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.312 2.392 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.966 4.046 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.796 2.800 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.218 1.567 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.658 1.942 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.075 2.621 0.370 1.00 0.00 H new ATOM 924 N ARG A 61 6.223 6.135 -1.673 1.00 0.00 N ATOM 925 CA ARG A 61 6.602 7.260 -2.520 1.00 0.00 C ATOM 926 C ARG A 61 6.780 6.814 -3.968 1.00 0.00 C ATOM 927 O ARG A 61 7.166 5.676 -4.236 1.00 0.00 O ATOM 928 CB ARG A 61 7.896 7.896 -2.009 1.00 0.00 C ATOM 929 CG ARG A 61 7.777 8.478 -0.610 1.00 0.00 C ATOM 930 CD ARG A 61 7.339 9.933 -0.646 1.00 0.00 C ATOM 931 NE ARG A 61 8.432 10.825 -1.026 1.00 0.00 N ATOM 932 CZ ARG A 61 8.351 12.150 -0.975 1.00 0.00 C ATOM 933 NH1 ARG A 61 7.234 12.734 -0.563 1.00 0.00 N ATOM 934 NH2 ARG A 61 9.389 12.893 -1.337 1.00 0.00 N ATOM 0 H ARG A 61 7.010 5.600 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 61 5.801 7.998 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.687 7.146 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.200 8.685 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.059 7.895 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.737 8.399 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.516 10.046 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.960 10.222 0.334 1.00 0.00 H new ATOM 0 HE ARG A 61 9.305 10.407 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.434 12.166 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.175 13.752 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.250 12.447 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.326 13.910 -1.298 1.00 0.00 H new ATOM 948 N PHE A 62 6.494 7.718 -4.900 1.00 0.00 N ATOM 949 CA PHE A 62 6.621 7.418 -6.321 1.00 0.00 C ATOM 950 C PHE A 62 7.560 8.407 -7.005 1.00 0.00 C ATOM 951 O PHE A 62 8.024 9.367 -6.388 1.00 0.00 O ATOM 952 CB PHE A 62 5.248 7.451 -6.995 1.00 0.00 C ATOM 953 CG PHE A 62 4.383 6.272 -6.652 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.047 6.002 -5.335 1.00 0.00 C ATOM 955 CD2 PHE A 62 3.905 5.434 -7.647 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.252 4.917 -5.017 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.110 4.347 -7.335 1.00 0.00 C ATOM 958 CZ PHE A 62 2.782 4.090 -6.018 1.00 0.00 C ATOM 0 H PHE A 62 6.173 8.664 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 62 7.043 6.418 -6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.732 8.366 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.384 7.490 -8.076 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.410 6.647 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.157 5.633 -8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.999 4.716 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.746 3.700 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.159 3.243 -5.771 1.00 0.00 H new ATOM 968 N HIS A 63 7.835 8.167 -8.282 1.00 0.00 N ATOM 969 CA HIS A 63 8.719 9.036 -9.051 1.00 0.00 C ATOM 970 C HIS A 63 7.914 10.033 -9.880 1.00 0.00 C ATOM 971 O HIS A 63 8.136 11.241 -9.803 1.00 0.00 O ATOM 972 CB HIS A 63 9.619 8.205 -9.965 1.00 0.00 C ATOM 973 CG HIS A 63 10.777 7.574 -9.253 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.513 8.228 -8.288 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.322 6.341 -9.369 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.463 7.425 -7.843 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.369 6.274 -8.482 1.00 0.00 N ATOM 0 H HIS A 63 7.459 7.378 -8.807 1.00 0.00 H new ATOM 0 HA HIS A 63 9.341 9.592 -8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.023 7.423 -10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.998 8.842 -10.765 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.995 5.556 -10.035 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.193 7.669 -7.085 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.975 5.466 -8.340 1.00 0.00 H new ATOM 985 N ASP A 64 6.980 9.517 -10.672 1.00 0.00 N ATOM 986 CA ASP A 64 6.142 10.362 -11.515 1.00 0.00 C ATOM 987 C ASP A 64 4.770 10.570 -10.882 1.00 0.00 C ATOM 988 O ASP A 64 4.453 9.974 -9.853 1.00 0.00 O ATOM 989 CB ASP A 64 5.987 9.739 -12.904 1.00 0.00 C ATOM 990 CG ASP A 64 5.762 10.780 -13.983 1.00 0.00 C ATOM 991 OD1 ASP A 64 6.138 11.950 -13.766 1.00 0.00 O ATOM 992 OD2 ASP A 64 5.210 10.423 -15.045 1.00 0.00 O ATOM 0 H ASP A 64 6.784 8.519 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 64 6.629 11.333 -11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.880 9.161 -13.141 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.149 9.042 -12.895 1.00 0.00 H new ATOM 997 N ARG A 65 3.960 11.421 -11.504 1.00 0.00 N ATOM 998 CA ARG A 65 2.623 11.710 -11.000 1.00 0.00 C ATOM 999 C ARG A 65 1.566 10.945 -11.792 1.00 0.00 C ATOM 1000 O ARG A 65 0.367 11.127 -11.583 1.00 0.00 O ATOM 1001 CB ARG A 65 2.341 13.212 -11.072 1.00 0.00 C ATOM 1002 CG ARG A 65 3.283 14.049 -10.223 1.00 0.00 C ATOM 1003 CD ARG A 65 2.870 15.513 -10.211 1.00 0.00 C ATOM 1004 NE ARG A 65 3.372 16.233 -11.377 1.00 0.00 N ATOM 1005 CZ ARG A 65 3.423 17.558 -11.457 1.00 0.00 C ATOM 1006 NH1 ARG A 65 3.005 18.303 -10.443 1.00 0.00 N ATOM 1007 NH2 ARG A 65 3.894 18.141 -12.552 1.00 0.00 N ATOM 0 H ARG A 65 4.207 11.922 -12.358 1.00 0.00 H new ATOM 0 HA ARG A 65 2.577 11.388 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.414 13.538 -12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.316 13.396 -10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.294 13.665 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.299 13.959 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.783 15.583 -10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.244 15.987 -9.304 1.00 0.00 H new ATOM 0 HE ARG A 65 3.702 15.689 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.643 17.859 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.045 19.320 -10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.218 17.572 -13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.932 19.159 -12.612 1.00 0.00 H new ATOM 1021 N ARG A 66 2.020 10.090 -12.703 1.00 0.00 N ATOM 1022 CA ARG A 66 1.115 9.299 -13.527 1.00 0.00 C ATOM 1023 C ARG A 66 0.960 7.888 -12.966 1.00 0.00 C ATOM 1024 O ARG A 66 -0.138 7.474 -12.594 1.00 0.00 O ATOM 1025 CB ARG A 66 1.627 9.233 -14.967 1.00 0.00 C ATOM 1026 CG ARG A 66 1.162 10.393 -15.832 1.00 0.00 C ATOM 1027 CD ARG A 66 2.139 11.557 -15.775 1.00 0.00 C ATOM 1028 NE ARG A 66 2.093 12.371 -16.987 1.00 0.00 N ATOM 1029 CZ ARG A 66 2.601 11.983 -18.151 1.00 0.00 C ATOM 1030 NH1 ARG A 66 3.190 10.800 -18.261 1.00 0.00 N ATOM 1031 NH2 ARG A 66 2.521 12.779 -19.210 1.00 0.00 N ATOM 0 H ARG A 66 3.010 9.928 -12.889 1.00 0.00 H new ATOM 0 HA ARG A 66 0.139 9.784 -13.517 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.717 9.213 -14.956 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.296 8.298 -15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.053 10.058 -16.864 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.179 10.725 -15.499 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.910 12.181 -14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.150 11.175 -15.633 1.00 0.00 H new ATOM 0 HE ARG A 66 1.647 13.287 -16.937 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.254 10.185 -17.450 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.579 10.505 -19.157 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.069 13.690 -19.130 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.912 12.480 -20.104 1.00 0.00 H new ATOM 1045 N ASP A 67 2.067 7.156 -12.909 1.00 0.00 N ATOM 1046 CA ASP A 67 2.056 5.792 -12.393 1.00 0.00 C ATOM 1047 C ASP A 67 1.212 5.698 -11.125 1.00 0.00 C ATOM 1048 O ASP A 67 0.326 4.851 -11.020 1.00 0.00 O ATOM 1049 CB ASP A 67 3.482 5.320 -12.108 1.00 0.00 C ATOM 1050 CG ASP A 67 4.356 5.335 -13.347 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.135 4.489 -14.238 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.261 6.192 -13.424 1.00 0.00 O ATOM 0 H ASP A 67 2.983 7.484 -13.214 1.00 0.00 H new ATOM 0 HA ASP A 67 1.613 5.146 -13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.927 5.959 -11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.452 4.310 -11.700 1.00 0.00 H new ATOM 1057 N ALA A 68 1.496 6.572 -10.166 1.00 0.00 N ATOM 1058 CA ALA A 68 0.763 6.588 -8.906 1.00 0.00 C ATOM 1059 C ALA A 68 -0.740 6.668 -9.146 1.00 0.00 C ATOM 1060 O ALA A 68 -1.512 5.908 -8.562 1.00 0.00 O ATOM 1061 CB ALA A 68 1.224 7.752 -8.042 1.00 0.00 C ATOM 0 H ALA A 68 2.228 7.278 -10.237 1.00 0.00 H new ATOM 0 HA ALA A 68 0.971 5.656 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.668 7.752 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.289 7.650 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.046 8.689 -8.569 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.149 7.593 -10.008 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.561 7.773 -10.324 1.00 0.00 C ATOM 1069 C GLN A 69 -3.171 6.476 -10.846 1.00 0.00 C ATOM 1070 O GLN A 69 -4.329 6.166 -10.564 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.737 8.885 -11.359 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.917 10.264 -10.745 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.698 11.205 -11.641 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.798 10.882 -12.090 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -3.132 12.376 -11.907 1.00 0.00 N ATOM 0 H GLN A 69 -0.522 8.230 -10.500 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.079 8.055 -9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.867 8.900 -12.016 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.603 8.657 -11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.432 10.167 -9.789 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.938 10.695 -10.537 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.219 12.602 -11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.611 13.050 -12.505 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.385 5.723 -11.607 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.848 4.459 -12.168 1.00 0.00 C ATOM 1086 C ASP A 70 -3.017 3.409 -11.075 1.00 0.00 C ATOM 1087 O ASP A 70 -4.114 2.892 -10.861 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.866 3.956 -13.227 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.146 4.537 -14.599 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -3.021 3.995 -15.306 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.490 5.535 -14.965 1.00 0.00 O ATOM 0 H ASP A 70 -1.424 5.966 -11.850 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.818 4.631 -12.635 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.850 4.213 -12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.918 2.868 -13.279 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.924 3.097 -10.387 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.952 2.109 -9.315 1.00 0.00 C ATOM 1098 C ALA A 71 -3.038 2.436 -8.295 1.00 0.00 C ATOM 1099 O ALA A 71 -3.641 1.538 -7.709 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.593 2.030 -8.635 1.00 0.00 C ATOM 0 H ALA A 71 -1.008 3.514 -10.553 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.183 1.139 -9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.628 1.289 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.163 1.741 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.339 3.003 -8.215 1.00 0.00 H new ATOM 1106 N GLU A 72 -3.281 3.727 -8.089 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.294 4.170 -7.139 1.00 0.00 C ATOM 1108 C GLU A 72 -5.667 3.616 -7.508 1.00 0.00 C ATOM 1109 O GLU A 72 -6.313 2.944 -6.705 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.345 5.699 -7.090 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.507 6.244 -6.277 1.00 0.00 C ATOM 1112 CD GLU A 72 -5.957 7.613 -6.748 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -5.150 8.312 -7.396 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.116 7.986 -6.469 1.00 0.00 O ATOM 0 H GLU A 72 -2.791 4.483 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.022 3.791 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.411 6.072 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.412 6.085 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.345 5.550 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.216 6.302 -5.228 1.00 0.00 H new ATOM 1121 N ALA A 73 -6.105 3.904 -8.729 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.400 3.434 -9.206 1.00 0.00 C ATOM 1123 C ALA A 73 -7.386 1.927 -9.438 1.00 0.00 C ATOM 1124 O ALA A 73 -8.246 1.204 -8.937 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.788 4.163 -10.484 1.00 0.00 C ATOM 0 H ALA A 73 -5.582 4.460 -9.406 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.142 3.650 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.757 3.802 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.848 5.234 -10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.037 3.976 -11.252 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.403 1.460 -10.202 1.00 0.00 N ATOM 1132 CA ALA A 74 -6.276 0.039 -10.499 1.00 0.00 C ATOM 1133 C ALA A 74 -6.388 -0.799 -9.230 1.00 0.00 C ATOM 1134 O ALA A 74 -7.305 -1.608 -9.087 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.955 -0.238 -11.202 1.00 0.00 C ATOM 0 H ALA A 74 -5.683 2.046 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.094 -0.242 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.874 -1.303 -11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.914 0.325 -12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.130 0.066 -10.558 1.00 0.00 H new ATOM 1141 N MET A 75 -5.448 -0.602 -8.311 1.00 0.00 N ATOM 1142 CA MET A 75 -5.442 -1.340 -7.053 1.00 0.00 C ATOM 1143 C MET A 75 -6.729 -1.094 -6.273 1.00 0.00 C ATOM 1144 O MET A 75 -7.603 -1.960 -6.210 1.00 0.00 O ATOM 1145 CB MET A 75 -4.233 -0.937 -6.206 1.00 0.00 C ATOM 1146 CG MET A 75 -2.899 -1.240 -6.868 1.00 0.00 C ATOM 1147 SD MET A 75 -1.598 -1.602 -5.674 1.00 0.00 S ATOM 1148 CE MET A 75 -2.291 -3.027 -4.839 1.00 0.00 C ATOM 0 H MET A 75 -4.681 0.062 -8.414 1.00 0.00 H new ATOM 0 HA MET A 75 -5.376 -2.403 -7.284 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.289 0.130 -5.992 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.281 -1.457 -5.249 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.016 -2.090 -7.541 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.599 -0.389 -7.479 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.133 -2.932 -3.765 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.360 -3.085 -5.045 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.803 -3.933 -5.199 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.839 0.089 -5.679 1.00 0.00 N ATOM 1159 CA ASP A 76 -8.021 0.448 -4.903 1.00 0.00 C ATOM 1160 C ASP A 76 -9.277 -0.169 -5.509 1.00 0.00 C ATOM 1161 O ASP A 76 -9.710 0.217 -6.594 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.168 1.969 -4.833 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.375 2.397 -4.022 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.334 1.603 -3.920 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.361 3.526 -3.488 1.00 0.00 O ATOM 0 H ASP A 76 -6.124 0.816 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.896 0.056 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.268 2.398 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.252 2.370 -5.843 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.858 -1.133 -4.800 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.058 -1.789 -5.284 1.00 0.00 C ATOM 1172 C GLY A 77 -10.772 -3.151 -5.884 1.00 0.00 C ATOM 1173 O GLY A 77 -11.365 -3.529 -6.894 1.00 0.00 O ATOM 0 H GLY A 77 -9.519 -1.471 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.765 -1.899 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.536 -1.158 -6.034 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.860 -3.891 -5.261 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.497 -5.219 -5.740 1.00 0.00 C ATOM 1179 C ALA A 78 -9.691 -6.267 -4.650 1.00 0.00 C ATOM 1180 O ALA A 78 -9.897 -5.932 -3.484 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.057 -5.227 -6.232 1.00 0.00 C ATOM 0 H ALA A 78 -9.359 -3.593 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.155 -5.471 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.799 -6.225 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.947 -4.512 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.392 -4.950 -5.414 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.625 -7.537 -5.038 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.796 -8.634 -4.092 1.00 0.00 C ATOM 1189 C GLU A 79 -8.444 -9.199 -3.665 1.00 0.00 C ATOM 1190 O GLU A 79 -7.870 -10.048 -4.348 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.652 -9.741 -4.710 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.964 -10.877 -3.750 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.814 -11.960 -4.385 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.041 -11.758 -4.504 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.253 -13.010 -4.762 1.00 0.00 O ATOM 0 H GLU A 79 -9.455 -7.831 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.303 -8.244 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.588 -9.309 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.136 -10.144 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.031 -11.314 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.482 -10.479 -2.878 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.942 -8.723 -2.532 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.657 -9.179 -2.012 1.00 0.00 C ATOM 1204 C LEU A 80 -6.750 -9.484 -0.521 1.00 0.00 C ATOM 1205 O LEU A 80 -7.412 -8.766 0.229 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.579 -8.124 -2.263 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.114 -7.970 -3.712 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.367 -6.658 -3.897 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.238 -9.146 -4.118 1.00 0.00 C ATOM 0 H LEU A 80 -8.405 -8.021 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.387 -10.096 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.955 -7.160 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.712 -8.366 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.993 -7.957 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.044 -6.566 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.025 -5.826 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.495 -6.640 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.916 -9.020 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.364 -9.190 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.806 -10.072 -4.025 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.080 -10.550 -0.097 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.084 -10.947 1.306 1.00 0.00 C ATOM 1223 C ASP A 81 -7.509 -11.156 1.808 1.00 0.00 C ATOM 1224 O ASP A 81 -7.791 -10.991 2.994 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.379 -9.891 2.159 1.00 0.00 C ATOM 1226 CG ASP A 81 -3.878 -9.883 1.947 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.305 -10.969 1.721 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.276 -8.790 2.007 1.00 0.00 O ATOM 0 H ASP A 81 -5.527 -11.155 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.546 -11.891 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.782 -8.907 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.593 -10.076 3.212 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.405 -11.519 0.895 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.791 -11.743 1.264 1.00 0.00 C ATOM 1235 C GLY A 82 -10.473 -10.480 1.749 1.00 0.00 C ATOM 1236 O GLY A 82 -11.309 -10.525 2.652 1.00 0.00 O ATOM 0 H GLY A 82 -8.196 -11.662 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.333 -12.138 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.838 -12.501 2.046 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.116 -9.349 1.150 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.698 -8.067 1.528 1.00 0.00 C ATOM 1242 C ARG A 83 -10.445 -7.015 0.452 1.00 0.00 C ATOM 1243 O ARG A 83 -9.806 -7.294 -0.562 1.00 0.00 O ATOM 1244 CB ARG A 83 -10.119 -7.594 2.863 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.766 -8.249 4.073 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.725 -7.337 5.289 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.266 -7.987 6.480 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.565 -8.078 6.741 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.452 -7.563 5.901 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -12.979 -8.685 7.846 1.00 0.00 N ATOM 0 H ARG A 83 -9.426 -9.294 0.401 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.774 -8.203 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.049 -7.799 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.238 -6.513 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.801 -8.502 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.253 -9.183 4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.696 -7.032 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.293 -6.430 5.081 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.610 -8.393 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.138 -7.095 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.449 -7.635 6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.300 -9.082 8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.977 -8.755 8.046 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.951 -5.808 0.680 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.780 -4.716 -0.271 1.00 0.00 C ATOM 1266 C GLU A 84 -9.697 -3.749 0.198 1.00 0.00 C ATOM 1267 O GLU A 84 -9.974 -2.792 0.921 1.00 0.00 O ATOM 1268 CB GLU A 84 -12.100 -3.966 -0.463 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.178 -3.196 -1.771 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.375 -2.267 -1.830 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.463 -1.357 -0.979 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -14.225 -2.451 -2.727 1.00 0.00 O ATOM 0 H GLU A 84 -11.483 -5.561 1.515 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.471 -5.145 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.923 -4.680 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.238 -3.272 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.265 -2.615 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.228 -3.901 -2.601 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.462 -4.007 -0.218 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.335 -3.161 0.160 1.00 0.00 C ATOM 1281 C LEU A 85 -7.586 -1.710 -0.240 1.00 0.00 C ATOM 1282 O LEU A 85 -8.097 -1.435 -1.325 1.00 0.00 O ATOM 1283 CB LEU A 85 -6.049 -3.668 -0.495 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.600 -5.073 -0.093 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.217 -5.371 -0.651 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -5.611 -5.224 1.421 1.00 0.00 C ATOM 0 H LEU A 85 -8.215 -4.795 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.225 -3.206 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.183 -3.647 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.245 -2.970 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.302 -5.793 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.914 -6.375 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.242 -5.305 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.503 -4.646 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.289 -6.230 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.932 -4.496 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.620 -5.055 1.796 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.220 -0.787 0.643 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.404 0.636 0.382 1.00 0.00 C ATOM 1300 C ARG A 86 -6.107 1.270 -0.111 1.00 0.00 C ATOM 1301 O ARG A 86 -5.339 1.828 0.672 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.885 1.350 1.646 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.397 1.356 1.805 1.00 0.00 C ATOM 1304 CD ARG A 86 -9.873 2.586 2.561 1.00 0.00 C ATOM 1305 NE ARG A 86 -9.697 2.444 4.003 1.00 0.00 N ATOM 1306 CZ ARG A 86 -10.412 3.114 4.900 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.346 3.968 4.505 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -10.194 2.931 6.196 1.00 0.00 N ATOM 0 H ARG A 86 -6.794 -0.999 1.545 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.159 0.742 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.439 0.869 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.526 2.379 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.867 1.327 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.712 0.457 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.323 3.461 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.926 2.763 2.340 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.986 1.795 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.517 4.112 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.893 4.481 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.477 2.275 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.744 3.446 6.883 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.869 1.180 -1.416 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.666 1.745 -2.015 1.00 0.00 C ATOM 1324 C VAL A 87 -4.954 3.097 -2.657 1.00 0.00 C ATOM 1325 O VAL A 87 -5.252 3.178 -3.848 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.070 0.801 -3.076 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.706 1.299 -3.528 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -3.977 -0.617 -2.535 1.00 0.00 C ATOM 0 H VAL A 87 -6.494 0.721 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.943 1.876 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.732 0.792 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.301 0.619 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.807 2.295 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.032 1.340 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.554 -1.270 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.338 -0.628 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.973 -0.970 -2.267 1.00 0.00 H new ATOM 1338 N GLN A 88 -4.863 4.156 -1.859 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.115 5.506 -2.351 1.00 0.00 C ATOM 1340 C GLN A 88 -4.173 6.509 -1.694 1.00 0.00 C ATOM 1341 O GLN A 88 -3.371 6.151 -0.831 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.568 5.905 -2.087 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.966 5.819 -0.622 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.457 5.620 -0.433 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.944 4.490 -0.395 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -9.191 6.720 -0.313 1.00 0.00 N ATOM 0 H GLN A 88 -4.617 4.106 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.933 5.514 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.726 6.925 -2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.225 5.261 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.431 4.994 -0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.657 6.731 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.746 7.637 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.200 6.648 -0.183 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.274 7.768 -2.110 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.431 8.824 -1.561 1.00 0.00 C ATOM 1357 C VAL A 89 -3.784 9.109 -0.106 1.00 0.00 C ATOM 1358 O VAL A 89 -4.901 8.842 0.336 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.561 10.125 -2.374 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.672 11.212 -1.790 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.222 9.876 -3.836 1.00 0.00 C ATOM 0 H VAL A 89 -4.931 8.081 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.402 8.470 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.595 10.466 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.778 12.124 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.967 11.409 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.633 10.884 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.319 10.806 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.198 9.510 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.905 9.133 -4.246 1.00 0.00 H new ATOM 1371 N ALA A 90 -2.824 9.654 0.634 1.00 0.00 N ATOM 1372 CA ALA A 90 -3.034 9.978 2.040 1.00 0.00 C ATOM 1373 C ALA A 90 -4.260 10.868 2.221 1.00 0.00 C ATOM 1374 O ALA A 90 -4.778 11.430 1.256 1.00 0.00 O ATOM 1375 CB ALA A 90 -1.799 10.654 2.616 1.00 0.00 C ATOM 0 H ALA A 90 -1.893 9.880 0.283 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.210 9.047 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.970 10.890 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.944 9.984 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.597 11.573 2.066 1.00 0.00 H new ATOM 1381 N ARG A 91 -4.718 10.991 3.462 1.00 0.00 N ATOM 1382 CA ARG A 91 -5.884 11.811 3.768 1.00 0.00 C ATOM 1383 C ARG A 91 -5.516 13.291 3.793 1.00 0.00 C ATOM 1384 O ARG A 91 -6.157 14.112 3.137 1.00 0.00 O ATOM 1385 CB ARG A 91 -6.483 11.401 5.115 1.00 0.00 C ATOM 1386 CG ARG A 91 -7.955 11.752 5.259 1.00 0.00 C ATOM 1387 CD ARG A 91 -8.839 10.762 4.517 1.00 0.00 C ATOM 1388 NE ARG A 91 -9.156 9.593 5.333 1.00 0.00 N ATOM 1389 CZ ARG A 91 -10.077 9.593 6.291 1.00 0.00 C ATOM 1390 NH1 ARG A 91 -10.769 10.694 6.550 1.00 0.00 N ATOM 1391 NH2 ARG A 91 -10.308 8.490 6.990 1.00 0.00 N ATOM 0 H ARG A 91 -4.300 10.533 4.272 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.625 11.651 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.360 10.326 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.923 11.885 5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.226 11.763 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.130 12.757 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.763 11.256 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.337 10.442 3.604 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.642 8.729 5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.595 11.544 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.475 10.691 7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.779 7.641 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.015 8.491 7.725 1.00 0.00 H new ATOM 1405 N TYR A 92 -4.480 13.625 4.555 1.00 0.00 N ATOM 1406 CA TYR A 92 -4.028 15.007 4.668 1.00 0.00 C ATOM 1407 C TYR A 92 -2.663 15.189 4.011 1.00 0.00 C ATOM 1408 O TYR A 92 -2.049 14.227 3.551 1.00 0.00 O ATOM 1409 CB TYR A 92 -3.958 15.424 6.138 1.00 0.00 C ATOM 1410 CG TYR A 92 -3.212 14.441 7.012 1.00 0.00 C ATOM 1411 CD1 TYR A 92 -1.823 14.424 7.043 1.00 0.00 C ATOM 1412 CD2 TYR A 92 -3.896 13.530 7.807 1.00 0.00 C ATOM 1413 CE1 TYR A 92 -1.137 13.527 7.839 1.00 0.00 C ATOM 1414 CE2 TYR A 92 -3.219 12.630 8.607 1.00 0.00 C ATOM 1415 CZ TYR A 92 -1.840 12.633 8.619 1.00 0.00 C ATOM 1416 OH TYR A 92 -1.160 11.739 9.415 1.00 0.00 O ATOM 0 H TYR A 92 -3.938 12.958 5.103 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.748 15.641 4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.475 16.399 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.971 15.542 6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.270 15.124 6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.976 13.525 7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.057 13.526 7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -3.766 11.928 9.219 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.802 11.180 9.902 1.00 0.00 H new ATOM 1426 N GLY A 93 -2.194 16.433 3.971 1.00 0.00 N ATOM 1427 CA GLY A 93 -0.905 16.720 3.369 1.00 0.00 C ATOM 1428 C GLY A 93 -0.993 16.895 1.866 1.00 0.00 C ATOM 1429 O GLY A 93 -0.597 16.010 1.108 1.00 0.00 O ATOM 0 H GLY A 93 -2.683 17.246 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.494 17.626 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.212 15.910 3.597 1.00 0.00 H new ATOM 1433 N ARG A 94 -1.516 18.037 1.434 1.00 0.00 N ATOM 1434 CA ARG A 94 -1.658 18.323 0.011 1.00 0.00 C ATOM 1435 C ARG A 94 -0.308 18.249 -0.695 1.00 0.00 C ATOM 1436 O ARG A 94 0.731 18.544 -0.103 1.00 0.00 O ATOM 1437 CB ARG A 94 -2.278 19.707 -0.194 1.00 0.00 C ATOM 1438 CG ARG A 94 -1.510 20.825 0.492 1.00 0.00 C ATOM 1439 CD ARG A 94 -2.422 21.988 0.850 1.00 0.00 C ATOM 1440 NE ARG A 94 -1.706 23.261 0.863 1.00 0.00 N ATOM 1441 CZ ARG A 94 -2.287 24.428 1.119 1.00 0.00 C ATOM 1442 NH1 ARG A 94 -3.585 24.483 1.383 1.00 0.00 N ATOM 1443 NH2 ARG A 94 -1.568 25.544 1.113 1.00 0.00 N ATOM 0 H ARG A 94 -1.849 18.780 2.049 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.317 17.570 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.332 19.917 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.301 19.697 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.036 20.441 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.712 21.175 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.241 22.040 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.866 21.812 1.830 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.705 23.254 0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.141 23.628 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.028 25.381 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.569 25.506 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.015 26.440 1.310 1.00 0.00 H new ATOM 1457 N ARG A 95 -0.330 17.853 -1.964 1.00 0.00 N ATOM 1458 CA ARG A 95 0.892 17.739 -2.750 1.00 0.00 C ATOM 1459 C ARG A 95 1.248 19.073 -3.399 1.00 0.00 C ATOM 1460 O ARG A 95 2.240 19.179 -4.121 1.00 0.00 O ATOM 1461 CB ARG A 95 0.733 16.663 -3.826 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.173 17.079 -4.974 1.00 0.00 C ATOM 1463 CD ARG A 95 0.603 17.810 -6.058 1.00 0.00 C ATOM 1464 NE ARG A 95 -0.056 17.718 -7.359 1.00 0.00 N ATOM 1465 CZ ARG A 95 -1.142 18.410 -7.682 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -1.689 19.241 -6.806 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -1.684 18.272 -8.886 1.00 0.00 N ATOM 0 H ARG A 95 -1.181 17.606 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 95 1.701 17.454 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.716 16.410 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.333 15.759 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.652 16.197 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.968 17.722 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.713 18.858 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.607 17.392 -6.130 1.00 0.00 H new ATOM 0 HE ARG A 95 0.340 17.088 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.276 19.351 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.523 19.771 -7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.266 17.634 -9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.518 18.804 -9.134 1.00 0.00 H new ATOM 1481 N ASP A 96 0.433 20.089 -3.137 1.00 0.00 N ATOM 1482 CA ASP A 96 0.661 21.416 -3.695 1.00 0.00 C ATOM 1483 C ASP A 96 0.983 22.421 -2.592 1.00 0.00 C ATOM 1484 O ASP A 96 0.849 22.120 -1.405 1.00 0.00 O ATOM 1485 CB ASP A 96 -0.565 21.881 -4.482 1.00 0.00 C ATOM 1486 CG ASP A 96 -0.320 23.180 -5.223 1.00 0.00 C ATOM 1487 OD1 ASP A 96 0.748 23.309 -5.856 1.00 0.00 O ATOM 1488 OD2 ASP A 96 -1.196 24.069 -5.168 1.00 0.00 O ATOM 0 H ASP A 96 -0.392 20.018 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 96 1.515 21.357 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.850 21.108 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.404 22.009 -3.799 1.00 0.00 H new ATOM 1493 N LEU A 97 1.410 23.614 -2.992 1.00 0.00 N ATOM 1494 CA LEU A 97 1.752 24.663 -2.038 1.00 0.00 C ATOM 1495 C LEU A 97 1.402 26.039 -2.594 1.00 0.00 C ATOM 1496 O LEU A 97 1.492 26.275 -3.798 1.00 0.00 O ATOM 1497 CB LEU A 97 3.242 24.602 -1.697 1.00 0.00 C ATOM 1498 CG LEU A 97 4.202 25.047 -2.801 1.00 0.00 C ATOM 1499 CD1 LEU A 97 5.601 25.254 -2.240 1.00 0.00 C ATOM 1500 CD2 LEU A 97 4.224 24.029 -3.931 1.00 0.00 C ATOM 0 H LEU A 97 1.528 23.879 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 97 1.170 24.500 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.419 25.222 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.489 23.577 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 97 3.849 25.997 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.271 25.570 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.573 26.021 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.963 24.319 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.912 24.362 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.552 23.064 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.223 23.930 -4.351 1.00 0.00 H new ATOM 1512 N SER A 98 1.003 26.946 -1.707 1.00 0.00 N ATOM 1513 CA SER A 98 0.637 28.299 -2.109 1.00 0.00 C ATOM 1514 C SER A 98 1.880 29.131 -2.411 1.00 0.00 C ATOM 1515 O SER A 98 2.917 28.974 -1.767 1.00 0.00 O ATOM 1516 CB SER A 98 -0.188 28.974 -1.011 1.00 0.00 C ATOM 1517 OG SER A 98 -1.513 28.472 -0.987 1.00 0.00 O ATOM 0 H SER A 98 0.925 26.768 -0.706 1.00 0.00 H new ATOM 0 HA SER A 98 0.036 28.232 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.285 28.808 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.207 30.051 -1.176 1.00 0.00 H new ATOM 0 HG SER A 98 -2.019 28.918 -0.276 1.00 0.00 H new ATOM 1523 N GLY A 99 1.767 30.017 -3.396 1.00 0.00 N ATOM 1524 CA GLY A 99 2.888 30.860 -3.767 1.00 0.00 C ATOM 1525 C GLY A 99 2.653 31.596 -5.072 1.00 0.00 C ATOM 1526 O GLY A 99 1.519 31.907 -5.438 1.00 0.00 O ATOM 0 H GLY A 99 0.919 30.166 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.073 31.584 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.786 30.248 -3.855 1.00 0.00 H new ATOM 1530 N PRO A 100 3.743 31.886 -5.797 1.00 0.00 N ATOM 1531 CA PRO A 100 3.676 32.593 -7.079 1.00 0.00 C ATOM 1532 C PRO A 100 2.581 32.045 -7.987 1.00 0.00 C ATOM 1533 O PRO A 100 2.751 31.004 -8.621 1.00 0.00 O ATOM 1534 CB PRO A 100 5.056 32.345 -7.694 1.00 0.00 C ATOM 1535 CG PRO A 100 5.961 32.151 -6.527 1.00 0.00 C ATOM 1536 CD PRO A 100 5.126 31.544 -5.421 1.00 0.00 C ATOM 0 HA PRO A 100 3.436 33.648 -6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.050 31.467 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.374 33.189 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.792 31.496 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.391 33.101 -6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.268 30.465 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.390 31.957 -4.448 1.00 0.00 H new ATOM 1544 N SER A 101 1.458 32.753 -8.046 1.00 0.00 N ATOM 1545 CA SER A 101 0.334 32.335 -8.875 1.00 0.00 C ATOM 1546 C SER A 101 0.628 32.577 -10.352 1.00 0.00 C ATOM 1547 O SER A 101 0.515 31.670 -11.176 1.00 0.00 O ATOM 1548 CB SER A 101 -0.936 33.085 -8.466 1.00 0.00 C ATOM 1549 OG SER A 101 -0.779 34.483 -8.637 1.00 0.00 O ATOM 0 H SER A 101 1.302 33.619 -7.530 1.00 0.00 H new ATOM 0 HA SER A 101 0.181 31.266 -8.724 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.778 32.734 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.172 32.867 -7.424 1.00 0.00 H new ATOM 0 HG SER A 101 -1.604 34.940 -8.371 1.00 0.00 H new ATOM 1555 N SER A 102 1.006 33.809 -10.679 1.00 0.00 N ATOM 1556 CA SER A 102 1.313 34.174 -12.057 1.00 0.00 C ATOM 1557 C SER A 102 2.815 34.371 -12.245 1.00 0.00 C ATOM 1558 O SER A 102 3.398 33.892 -13.217 1.00 0.00 O ATOM 1559 CB SER A 102 0.567 35.451 -12.447 1.00 0.00 C ATOM 1560 OG SER A 102 0.730 35.736 -13.826 1.00 0.00 O ATOM 0 H SER A 102 1.107 34.571 -10.008 1.00 0.00 H new ATOM 0 HA SER A 102 0.987 33.360 -12.704 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.493 35.341 -12.218 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.936 36.287 -11.853 1.00 0.00 H new ATOM 0 HG SER A 102 0.242 36.556 -14.050 1.00 0.00 H new ATOM 1566 N GLY A 103 3.434 35.080 -11.307 1.00 0.00 N ATOM 1567 CA GLY A 103 4.862 35.329 -11.386 1.00 0.00 C ATOM 1568 C GLY A 103 5.203 36.442 -12.357 1.00 0.00 C ATOM 1569 O GLY A 103 4.319 37.001 -13.006 1.00 0.00 O ATOM 0 H GLY A 103 2.973 35.487 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.238 35.587 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.371 34.415 -11.692 1.00 0.00 H new TER 1573 GLY A 103