USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 862 hydrogens (19 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 SER OG : rot 78:sc= 1.45 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0649 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.519 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 THR OG1 : rot -36:sc= 0.109 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 34 SER OG : rot 150:sc= -0.671 USER MOD Single : A 36 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-4.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.701 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 130:sc= -0.0265 (180deg=-0.271) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.059) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 77 MET CE :methyl 158:sc= -1.15 (180deg=-2.56!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 167:sc= 0.0665 USER MOD Single : A 105 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.32) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.415 1.120 -5.681 1.00 0.00 N ATOM 2 CA GLY A 1 2.315 1.884 -6.526 1.00 0.00 C ATOM 3 C GLY A 1 3.420 2.557 -5.737 1.00 0.00 C ATOM 4 O GLY A 1 3.389 2.611 -4.507 1.00 0.00 O ATOM 0 H1 GLY A 1 1.504 0.108 -5.905 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.660 1.276 -4.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.436 1.427 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.756 1.223 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.746 2.641 -7.067 1.00 0.00 H new ATOM 8 N PRO A 2 4.425 3.085 -6.450 1.00 0.00 N ATOM 9 CA PRO A 2 5.565 3.765 -5.829 1.00 0.00 C ATOM 10 C PRO A 2 5.174 5.102 -5.209 1.00 0.00 C ATOM 11 O PRO A 2 4.579 5.953 -5.868 1.00 0.00 O ATOM 12 CB PRO A 2 6.530 3.980 -6.997 1.00 0.00 C ATOM 13 CG PRO A 2 5.661 4.001 -8.207 1.00 0.00 C ATOM 14 CD PRO A 2 4.527 3.057 -7.919 1.00 0.00 C ATOM 0 HA PRO A 2 5.989 3.184 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.081 4.914 -6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.268 3.180 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.291 5.007 -8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.216 3.687 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.601 3.384 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.736 2.053 -8.288 1.00 0.00 H new ATOM 22 N GLY A 3 5.513 5.281 -3.936 1.00 0.00 N ATOM 23 CA GLY A 3 5.189 6.517 -3.248 1.00 0.00 C ATOM 24 C GLY A 3 6.280 7.561 -3.388 1.00 0.00 C ATOM 25 O GLY A 3 6.028 8.756 -3.231 1.00 0.00 O ATOM 0 H GLY A 3 6.006 4.592 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.255 6.916 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.023 6.308 -2.191 1.00 0.00 H new ATOM 29 N SER A 4 7.495 7.110 -3.683 1.00 0.00 N ATOM 30 CA SER A 4 8.629 8.013 -3.838 1.00 0.00 C ATOM 31 C SER A 4 8.361 9.038 -4.936 1.00 0.00 C ATOM 32 O SER A 4 8.149 8.681 -6.095 1.00 0.00 O ATOM 33 CB SER A 4 9.897 7.222 -4.162 1.00 0.00 C ATOM 34 OG SER A 4 10.839 8.027 -4.851 1.00 0.00 O ATOM 0 H SER A 4 7.719 6.124 -3.819 1.00 0.00 H new ATOM 0 HA SER A 4 8.771 8.543 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.341 6.846 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.642 6.354 -4.770 1.00 0.00 H new ATOM 0 HG SER A 4 11.641 7.498 -5.045 1.00 0.00 H new ATOM 40 N MET A 5 8.372 10.313 -4.563 1.00 0.00 N ATOM 41 CA MET A 5 8.131 11.390 -5.516 1.00 0.00 C ATOM 42 C MET A 5 9.439 12.069 -5.910 1.00 0.00 C ATOM 43 O MET A 5 10.520 11.645 -5.500 1.00 0.00 O ATOM 44 CB MET A 5 7.168 12.420 -4.922 1.00 0.00 C ATOM 45 CG MET A 5 5.854 11.820 -4.448 1.00 0.00 C ATOM 46 SD MET A 5 4.672 13.072 -3.914 1.00 0.00 S ATOM 47 CE MET A 5 4.936 13.053 -2.142 1.00 0.00 C ATOM 0 H MET A 5 8.545 10.626 -3.608 1.00 0.00 H new ATOM 0 HA MET A 5 7.682 10.957 -6.410 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.654 12.918 -4.083 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.960 13.185 -5.670 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.415 11.232 -5.254 1.00 0.00 H new ATOM 0 HG3 MET A 5 6.049 11.134 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.274 13.778 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 5 4.722 12.058 -1.753 1.00 0.00 H new ATOM 0 HE3 MET A 5 5.972 13.312 -1.926 1.00 0.00 H new ATOM 57 N THR A 6 9.335 13.126 -6.711 1.00 0.00 N ATOM 58 CA THR A 6 10.509 13.862 -7.162 1.00 0.00 C ATOM 59 C THR A 6 10.283 15.367 -7.071 1.00 0.00 C ATOM 60 O THR A 6 9.448 15.924 -7.784 1.00 0.00 O ATOM 61 CB THR A 6 10.878 13.497 -8.612 1.00 0.00 C ATOM 62 OG1 THR A 6 10.590 12.115 -8.858 1.00 0.00 O ATOM 63 CG2 THR A 6 12.350 13.769 -8.881 1.00 0.00 C ATOM 0 H THR A 6 8.449 13.491 -7.060 1.00 0.00 H new ATOM 0 HA THR A 6 11.331 13.580 -6.504 1.00 0.00 H new ATOM 0 HB THR A 6 10.282 14.117 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.826 11.891 -9.782 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.587 13.503 -9.911 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.560 14.827 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.960 13.172 -8.203 1.00 0.00 H new ATOM 71 N VAL A 7 11.032 16.021 -6.188 1.00 0.00 N ATOM 72 CA VAL A 7 10.914 17.462 -6.005 1.00 0.00 C ATOM 73 C VAL A 7 12.046 18.200 -6.711 1.00 0.00 C ATOM 74 O VAL A 7 13.208 17.800 -6.629 1.00 0.00 O ATOM 75 CB VAL A 7 10.921 17.841 -4.512 1.00 0.00 C ATOM 76 CG1 VAL A 7 10.717 19.338 -4.340 1.00 0.00 C ATOM 77 CG2 VAL A 7 9.855 17.059 -3.760 1.00 0.00 C ATOM 0 H VAL A 7 11.727 15.575 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 7 9.961 17.760 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 7 11.893 17.581 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.725 19.587 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.520 19.875 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.759 19.627 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.874 17.339 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.874 17.286 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.052 15.991 -3.855 1.00 0.00 H new ATOM 87 N VAL A 8 11.700 19.280 -7.404 1.00 0.00 N ATOM 88 CA VAL A 8 12.688 20.076 -8.123 1.00 0.00 C ATOM 89 C VAL A 8 12.257 21.536 -8.213 1.00 0.00 C ATOM 90 O VAL A 8 11.072 21.839 -8.352 1.00 0.00 O ATOM 91 CB VAL A 8 12.918 19.532 -9.545 1.00 0.00 C ATOM 92 CG1 VAL A 8 11.607 19.473 -10.314 1.00 0.00 C ATOM 93 CG2 VAL A 8 13.940 20.385 -10.282 1.00 0.00 C ATOM 0 H VAL A 8 10.743 19.624 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 8 13.619 20.009 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 8 13.311 18.518 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.790 19.086 -11.316 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.909 18.817 -9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.181 20.474 -10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.091 19.987 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.577 21.411 -10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.885 20.370 -9.740 1.00 0.00 H new ATOM 103 N THR A 9 13.229 22.440 -8.132 1.00 0.00 N ATOM 104 CA THR A 9 12.952 23.869 -8.203 1.00 0.00 C ATOM 105 C THR A 9 13.474 24.466 -9.505 1.00 0.00 C ATOM 106 O THR A 9 14.627 24.251 -9.880 1.00 0.00 O ATOM 107 CB THR A 9 13.580 24.623 -7.016 1.00 0.00 C ATOM 108 OG1 THR A 9 13.167 24.026 -5.782 1.00 0.00 O ATOM 109 CG2 THR A 9 13.180 26.090 -7.035 1.00 0.00 C ATOM 0 H THR A 9 14.215 22.207 -8.017 1.00 0.00 H new ATOM 0 HA THR A 9 11.869 23.983 -8.163 1.00 0.00 H new ATOM 0 HB THR A 9 14.664 24.557 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.572 24.510 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.635 26.602 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.522 26.549 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.095 26.172 -6.969 1.00 0.00 H new ATOM 117 N THR A 10 12.619 25.218 -10.191 1.00 0.00 N ATOM 118 CA THR A 10 12.995 25.847 -11.451 1.00 0.00 C ATOM 119 C THR A 10 13.873 27.071 -11.215 1.00 0.00 C ATOM 120 O THR A 10 13.890 27.630 -10.119 1.00 0.00 O ATOM 121 CB THR A 10 11.754 26.267 -12.261 1.00 0.00 C ATOM 122 OG1 THR A 10 10.679 26.597 -11.374 1.00 0.00 O ATOM 123 CG2 THR A 10 11.319 25.154 -13.201 1.00 0.00 C ATOM 0 H THR A 10 11.661 25.406 -9.895 1.00 0.00 H new ATOM 0 HA THR A 10 13.557 25.106 -12.019 1.00 0.00 H new ATOM 0 HB THR A 10 12.015 27.142 -12.856 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.836 26.255 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.441 25.474 -13.762 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.129 24.925 -13.894 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.075 24.263 -12.622 1.00 0.00 H new ATOM 131 N GLU A 11 14.599 27.481 -12.250 1.00 0.00 N ATOM 132 CA GLU A 11 15.479 28.640 -12.153 1.00 0.00 C ATOM 133 C GLU A 11 14.688 29.896 -11.800 1.00 0.00 C ATOM 134 O GLU A 11 15.210 30.814 -11.168 1.00 0.00 O ATOM 135 CB GLU A 11 16.228 28.850 -13.471 1.00 0.00 C ATOM 136 CG GLU A 11 17.219 27.744 -13.790 1.00 0.00 C ATOM 137 CD GLU A 11 18.104 28.078 -14.976 1.00 0.00 C ATOM 138 OE1 GLU A 11 17.575 28.590 -15.984 1.00 0.00 O ATOM 139 OE2 GLU A 11 19.325 27.827 -14.895 1.00 0.00 O ATOM 0 H GLU A 11 14.595 27.029 -13.164 1.00 0.00 H new ATOM 0 HA GLU A 11 16.201 28.451 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.504 28.923 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.759 29.801 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.844 27.558 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.675 26.822 -13.995 1.00 0.00 H new ATOM 146 N SER A 12 13.424 29.928 -12.212 1.00 0.00 N ATOM 147 CA SER A 12 12.562 31.073 -11.943 1.00 0.00 C ATOM 148 C SER A 12 12.364 31.263 -10.442 1.00 0.00 C ATOM 149 O SER A 12 12.122 32.374 -9.972 1.00 0.00 O ATOM 150 CB SER A 12 11.206 30.889 -12.628 1.00 0.00 C ATOM 151 OG SER A 12 10.508 32.119 -12.717 1.00 0.00 O ATOM 0 H SER A 12 12.975 29.175 -12.733 1.00 0.00 H new ATOM 0 HA SER A 12 13.046 31.963 -12.344 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.353 30.477 -13.627 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.608 30.168 -12.071 1.00 0.00 H new ATOM 0 HG SER A 12 9.646 31.975 -13.160 1.00 0.00 H new ATOM 157 N GLY A 13 12.469 30.168 -9.694 1.00 0.00 N ATOM 158 CA GLY A 13 12.298 30.234 -8.254 1.00 0.00 C ATOM 159 C GLY A 13 11.162 29.360 -7.764 1.00 0.00 C ATOM 160 O GLY A 13 11.309 28.627 -6.785 1.00 0.00 O ATOM 0 H GLY A 13 12.669 29.237 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.224 29.928 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.110 31.267 -7.961 1.00 0.00 H new ATOM 164 N LEU A 14 10.023 29.436 -8.444 1.00 0.00 N ATOM 165 CA LEU A 14 8.855 28.646 -8.072 1.00 0.00 C ATOM 166 C LEU A 14 9.207 27.165 -7.975 1.00 0.00 C ATOM 167 O LEU A 14 10.284 26.743 -8.396 1.00 0.00 O ATOM 168 CB LEU A 14 7.731 28.848 -9.090 1.00 0.00 C ATOM 169 CG LEU A 14 7.825 28.014 -10.368 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.075 26.701 -10.204 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.283 28.795 -11.556 1.00 0.00 C ATOM 0 H LEU A 14 9.884 30.037 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 14 8.516 28.985 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.782 28.624 -8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.705 29.901 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 14 8.875 27.789 -10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.153 26.120 -11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.508 26.135 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.026 26.905 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.358 28.186 -12.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.239 29.051 -11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.863 29.708 -11.686 1.00 0.00 H new ATOM 183 N LYS A 15 8.292 26.379 -7.418 1.00 0.00 N ATOM 184 CA LYS A 15 8.503 24.944 -7.269 1.00 0.00 C ATOM 185 C LYS A 15 7.215 24.173 -7.542 1.00 0.00 C ATOM 186 O LYS A 15 6.133 24.757 -7.607 1.00 0.00 O ATOM 187 CB LYS A 15 9.010 24.627 -5.860 1.00 0.00 C ATOM 188 CG LYS A 15 10.149 25.524 -5.408 1.00 0.00 C ATOM 189 CD LYS A 15 9.639 26.714 -4.613 1.00 0.00 C ATOM 190 CE LYS A 15 9.533 26.391 -3.131 1.00 0.00 C ATOM 191 NZ LYS A 15 9.174 27.591 -2.325 1.00 0.00 N ATOM 0 H LYS A 15 7.396 26.712 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 15 9.252 24.634 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.183 24.721 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.341 23.589 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.846 24.949 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.703 25.877 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.310 27.562 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.662 27.014 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.782 25.615 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.482 25.988 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.112 27.329 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.903 28.322 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.256 27.961 -2.644 1.00 0.00 H new ATOM 205 N TYR A 16 7.340 22.860 -7.701 1.00 0.00 N ATOM 206 CA TYR A 16 6.186 22.010 -7.968 1.00 0.00 C ATOM 207 C TYR A 16 6.442 20.581 -7.500 1.00 0.00 C ATOM 208 O TYR A 16 7.567 20.086 -7.569 1.00 0.00 O ATOM 209 CB TYR A 16 5.855 22.018 -9.461 1.00 0.00 C ATOM 210 CG TYR A 16 7.066 21.850 -10.351 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.633 20.599 -10.557 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.644 22.944 -10.984 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.739 20.441 -11.368 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.750 22.795 -11.798 1.00 0.00 C ATOM 215 CZ TYR A 16 9.294 21.541 -11.987 1.00 0.00 C ATOM 216 OH TYR A 16 10.397 21.389 -12.796 1.00 0.00 O ATOM 0 H TYR A 16 8.228 22.362 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 16 5.337 22.408 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.146 21.217 -9.672 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.359 22.956 -9.710 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.201 19.735 -10.074 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.221 23.927 -10.837 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.167 19.461 -11.517 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.187 23.655 -12.284 1.00 0.00 H new ATOM 0 HH TYR A 16 10.520 22.197 -13.337 1.00 0.00 H new ATOM 226 N GLU A 17 5.390 19.923 -7.024 1.00 0.00 N ATOM 227 CA GLU A 17 5.500 18.550 -6.545 1.00 0.00 C ATOM 228 C GLU A 17 4.370 17.688 -7.098 1.00 0.00 C ATOM 229 O GLU A 17 3.194 17.946 -6.840 1.00 0.00 O ATOM 230 CB GLU A 17 5.480 18.518 -5.015 1.00 0.00 C ATOM 231 CG GLU A 17 5.403 17.114 -4.437 1.00 0.00 C ATOM 232 CD GLU A 17 5.651 17.085 -2.942 1.00 0.00 C ATOM 233 OE1 GLU A 17 6.448 17.915 -2.455 1.00 0.00 O ATOM 234 OE2 GLU A 17 5.048 16.232 -2.257 1.00 0.00 O ATOM 0 H GLU A 17 4.452 20.318 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 17 6.448 18.144 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.377 19.009 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.627 19.096 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.420 16.692 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.135 16.479 -4.936 1.00 0.00 H new ATOM 241 N ASP A 18 4.735 16.663 -7.861 1.00 0.00 N ATOM 242 CA ASP A 18 3.752 15.761 -8.451 1.00 0.00 C ATOM 243 C ASP A 18 2.792 15.233 -7.390 1.00 0.00 C ATOM 244 O ASP A 18 3.212 14.820 -6.308 1.00 0.00 O ATOM 245 CB ASP A 18 4.453 14.594 -9.148 1.00 0.00 C ATOM 246 CG ASP A 18 5.300 13.774 -8.194 1.00 0.00 C ATOM 247 OD1 ASP A 18 6.460 14.163 -7.948 1.00 0.00 O ATOM 248 OD2 ASP A 18 4.801 12.743 -7.695 1.00 0.00 O ATOM 0 H ASP A 18 5.704 16.436 -8.085 1.00 0.00 H new ATOM 0 HA ASP A 18 3.177 16.322 -9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.706 13.950 -9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.083 14.979 -9.950 1.00 0.00 H new ATOM 253 N LEU A 19 1.502 15.251 -7.705 1.00 0.00 N ATOM 254 CA LEU A 19 0.481 14.775 -6.778 1.00 0.00 C ATOM 255 C LEU A 19 -0.317 13.628 -7.389 1.00 0.00 C ATOM 256 O LEU A 19 -0.746 12.711 -6.687 1.00 0.00 O ATOM 257 CB LEU A 19 -0.460 15.918 -6.393 1.00 0.00 C ATOM 258 CG LEU A 19 -1.055 15.853 -4.986 1.00 0.00 C ATOM 259 CD1 LEU A 19 0.019 16.111 -3.940 1.00 0.00 C ATOM 260 CD2 LEU A 19 -2.193 16.853 -4.842 1.00 0.00 C ATOM 0 H LEU A 19 1.138 15.590 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 19 0.982 14.408 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.083 16.858 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.279 15.945 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.455 14.852 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.423 16.061 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.801 15.357 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.449 17.100 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.605 16.793 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.817 17.860 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.974 16.623 -5.567 1.00 0.00 H new ATOM 272 N THR A 20 -0.512 13.683 -8.703 1.00 0.00 N ATOM 273 CA THR A 20 -1.257 12.649 -9.409 1.00 0.00 C ATOM 274 C THR A 20 -0.960 12.681 -10.904 1.00 0.00 C ATOM 275 O THR A 20 -1.278 13.652 -11.589 1.00 0.00 O ATOM 276 CB THR A 20 -2.775 12.806 -9.196 1.00 0.00 C ATOM 277 OG1 THR A 20 -3.045 13.161 -7.836 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.506 11.517 -9.543 1.00 0.00 C ATOM 0 H THR A 20 -0.164 14.433 -9.300 1.00 0.00 H new ATOM 0 HA THR A 20 -0.936 11.692 -8.998 1.00 0.00 H new ATOM 0 HB THR A 20 -3.132 13.597 -9.855 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.408 12.706 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.576 11.652 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.322 11.264 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.144 10.710 -8.906 1.00 0.00 H new ATOM 286 N GLU A 21 -0.348 11.611 -11.404 1.00 0.00 N ATOM 287 CA GLU A 21 -0.007 11.518 -12.818 1.00 0.00 C ATOM 288 C GLU A 21 -1.229 11.793 -13.691 1.00 0.00 C ATOM 289 O GLU A 21 -2.348 11.411 -13.350 1.00 0.00 O ATOM 290 CB GLU A 21 0.561 10.134 -13.139 1.00 0.00 C ATOM 291 CG GLU A 21 1.582 10.142 -14.264 1.00 0.00 C ATOM 292 CD GLU A 21 3.003 10.309 -13.761 1.00 0.00 C ATOM 293 OE1 GLU A 21 3.342 9.696 -12.728 1.00 0.00 O ATOM 294 OE2 GLU A 21 3.775 11.054 -14.400 1.00 0.00 O ATOM 0 H GLU A 21 -0.079 10.798 -10.851 1.00 0.00 H new ATOM 0 HA GLU A 21 0.750 12.272 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.024 9.724 -12.242 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.258 9.467 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.506 9.211 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.348 10.951 -14.956 1.00 0.00 H new ATOM 301 N GLY A 22 -1.005 12.458 -14.820 1.00 0.00 N ATOM 302 CA GLY A 22 -2.096 12.774 -15.724 1.00 0.00 C ATOM 303 C GLY A 22 -1.745 12.500 -17.173 1.00 0.00 C ATOM 304 O GLY A 22 -1.199 13.363 -17.861 1.00 0.00 O ATOM 0 H GLY A 22 -0.088 12.784 -15.125 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.973 12.188 -15.449 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.365 13.824 -15.611 1.00 0.00 H new ATOM 308 N SER A 23 -2.058 11.295 -17.638 1.00 0.00 N ATOM 309 CA SER A 23 -1.767 10.908 -19.014 1.00 0.00 C ATOM 310 C SER A 23 -2.869 11.383 -19.956 1.00 0.00 C ATOM 311 O SER A 23 -3.539 10.578 -20.602 1.00 0.00 O ATOM 312 CB SER A 23 -1.612 9.389 -19.117 1.00 0.00 C ATOM 313 OG SER A 23 -0.716 8.900 -18.134 1.00 0.00 O ATOM 0 H SER A 23 -2.513 10.570 -17.083 1.00 0.00 H new ATOM 0 HA SER A 23 -0.831 11.382 -19.309 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.585 8.912 -18.996 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.248 9.124 -20.110 1.00 0.00 H new ATOM 0 HG SER A 23 -0.636 7.927 -18.220 1.00 0.00 H new ATOM 319 N GLY A 24 -3.050 12.698 -20.030 1.00 0.00 N ATOM 320 CA GLY A 24 -4.071 13.259 -20.895 1.00 0.00 C ATOM 321 C GLY A 24 -3.485 14.097 -22.015 1.00 0.00 C ATOM 322 O GLY A 24 -3.443 13.664 -23.166 1.00 0.00 O ATOM 0 H GLY A 24 -2.508 13.385 -19.506 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.665 12.451 -21.322 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.748 13.873 -20.302 1.00 0.00 H new ATOM 326 N ALA A 25 -3.034 15.301 -21.677 1.00 0.00 N ATOM 327 CA ALA A 25 -2.448 16.201 -22.663 1.00 0.00 C ATOM 328 C ALA A 25 -1.962 17.490 -22.008 1.00 0.00 C ATOM 329 O ALA A 25 -2.698 18.131 -21.258 1.00 0.00 O ATOM 330 CB ALA A 25 -3.456 16.511 -23.759 1.00 0.00 C ATOM 0 H ALA A 25 -3.063 15.675 -20.729 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.587 15.703 -23.108 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.005 17.184 -24.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.752 15.586 -24.253 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.334 16.986 -23.322 1.00 0.00 H new ATOM 336 N GLU A 26 -0.720 17.863 -22.297 1.00 0.00 N ATOM 337 CA GLU A 26 -0.136 19.075 -21.735 1.00 0.00 C ATOM 338 C GLU A 26 -0.948 20.305 -22.132 1.00 0.00 C ATOM 339 O GLU A 26 -1.290 20.485 -23.301 1.00 0.00 O ATOM 340 CB GLU A 26 1.312 19.234 -22.201 1.00 0.00 C ATOM 341 CG GLU A 26 1.987 20.490 -21.674 1.00 0.00 C ATOM 342 CD GLU A 26 3.338 20.739 -22.316 1.00 0.00 C ATOM 343 OE1 GLU A 26 3.376 21.386 -23.383 1.00 0.00 O ATOM 344 OE2 GLU A 26 4.356 20.289 -21.751 1.00 0.00 O ATOM 0 H GLU A 26 -0.099 17.344 -22.917 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.152 18.985 -20.649 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.885 18.363 -21.883 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.334 19.250 -23.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.340 21.348 -21.854 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.112 20.405 -20.595 1.00 0.00 H new ATOM 351 N ALA A 27 -1.254 21.147 -21.151 1.00 0.00 N ATOM 352 CA ALA A 27 -2.024 22.360 -21.397 1.00 0.00 C ATOM 353 C ALA A 27 -1.408 23.181 -22.525 1.00 0.00 C ATOM 354 O ALA A 27 -0.215 23.481 -22.507 1.00 0.00 O ATOM 355 CB ALA A 27 -2.119 23.192 -20.127 1.00 0.00 C ATOM 0 H ALA A 27 -0.980 21.011 -20.178 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.029 22.068 -21.702 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.697 24.095 -20.326 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.611 22.611 -19.347 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.117 23.468 -19.797 1.00 0.00 H new ATOM 361 N ARG A 28 -2.230 23.541 -23.505 1.00 0.00 N ATOM 362 CA ARG A 28 -1.766 24.326 -24.642 1.00 0.00 C ATOM 363 C ARG A 28 -1.892 25.821 -24.359 1.00 0.00 C ATOM 364 O ARG A 28 -2.598 26.230 -23.439 1.00 0.00 O ATOM 365 CB ARG A 28 -2.561 23.965 -25.898 1.00 0.00 C ATOM 366 CG ARG A 28 -2.220 22.596 -26.462 1.00 0.00 C ATOM 367 CD ARG A 28 -1.042 22.667 -27.421 1.00 0.00 C ATOM 368 NE ARG A 28 -1.132 21.658 -28.473 1.00 0.00 N ATOM 369 CZ ARG A 28 -0.233 21.526 -29.442 1.00 0.00 C ATOM 370 NH1 ARG A 28 0.818 22.333 -29.492 1.00 0.00 N ATOM 371 NH2 ARG A 28 -0.384 20.583 -30.365 1.00 0.00 N ATOM 0 H ARG A 28 -3.221 23.301 -23.534 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.714 24.092 -24.807 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.625 23.998 -25.666 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.378 24.720 -26.663 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.985 21.913 -25.646 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.088 22.188 -26.980 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.001 23.658 -27.872 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.114 22.530 -26.866 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.928 21.020 -28.463 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.938 23.058 -28.785 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.506 22.229 -30.238 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.191 19.960 -30.330 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.307 20.482 -31.109 1.00 0.00 H new ATOM 385 N ALA A 29 -1.201 26.629 -25.156 1.00 0.00 N ATOM 386 CA ALA A 29 -1.237 28.077 -24.993 1.00 0.00 C ATOM 387 C ALA A 29 -2.208 28.717 -25.980 1.00 0.00 C ATOM 388 O ALA A 29 -2.430 28.197 -27.072 1.00 0.00 O ATOM 389 CB ALA A 29 0.156 28.662 -25.165 1.00 0.00 C ATOM 0 H ALA A 29 -0.609 26.305 -25.921 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.589 28.296 -23.985 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.114 29.744 -25.041 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.824 28.236 -24.417 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.529 28.425 -26.161 1.00 0.00 H new ATOM 395 N GLY A 30 -2.785 29.849 -25.586 1.00 0.00 N ATOM 396 CA GLY A 30 -3.725 30.540 -26.448 1.00 0.00 C ATOM 397 C GLY A 30 -5.124 29.962 -26.362 1.00 0.00 C ATOM 398 O GLY A 30 -6.056 30.483 -26.974 1.00 0.00 O ATOM 0 H GLY A 30 -2.618 30.299 -24.686 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.754 31.595 -26.177 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.375 30.485 -27.479 1.00 0.00 H new ATOM 402 N GLN A 31 -5.270 28.883 -25.600 1.00 0.00 N ATOM 403 CA GLN A 31 -6.565 28.233 -25.439 1.00 0.00 C ATOM 404 C GLN A 31 -7.014 28.268 -23.981 1.00 0.00 C ATOM 405 O GLN A 31 -6.190 28.334 -23.068 1.00 0.00 O ATOM 406 CB GLN A 31 -6.498 26.786 -25.929 1.00 0.00 C ATOM 407 CG GLN A 31 -6.387 26.660 -27.440 1.00 0.00 C ATOM 408 CD GLN A 31 -6.185 25.227 -27.893 1.00 0.00 C ATOM 409 OE1 GLN A 31 -7.148 24.503 -28.149 1.00 0.00 O ATOM 410 NE2 GLN A 31 -4.929 24.810 -27.996 1.00 0.00 N ATOM 0 H GLN A 31 -4.509 28.441 -25.085 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.294 28.779 -26.038 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.641 26.294 -25.468 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.389 26.256 -25.593 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.290 27.059 -27.901 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.554 27.269 -27.791 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.161 25.444 -27.774 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.732 23.856 -28.297 1.00 0.00 H new ATOM 419 N THR A 32 -8.326 28.224 -23.770 1.00 0.00 N ATOM 420 CA THR A 32 -8.884 28.252 -22.424 1.00 0.00 C ATOM 421 C THR A 32 -8.910 26.857 -21.810 1.00 0.00 C ATOM 422 O THR A 32 -9.578 25.956 -22.318 1.00 0.00 O ATOM 423 CB THR A 32 -10.312 28.829 -22.420 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.418 29.881 -23.385 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.678 29.359 -21.042 1.00 0.00 C ATOM 0 H THR A 32 -9.022 28.169 -24.514 1.00 0.00 H new ATOM 0 HA THR A 32 -8.238 28.896 -21.828 1.00 0.00 H new ATOM 0 HB THR A 32 -11.004 28.028 -22.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.329 30.241 -23.377 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.691 29.761 -21.064 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.625 28.549 -20.315 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.981 30.147 -20.758 1.00 0.00 H new ATOM 433 N VAL A 33 -8.180 26.684 -20.713 1.00 0.00 N ATOM 434 CA VAL A 33 -8.121 25.398 -20.028 1.00 0.00 C ATOM 435 C VAL A 33 -8.816 25.465 -18.673 1.00 0.00 C ATOM 436 O VAL A 33 -8.694 26.453 -17.949 1.00 0.00 O ATOM 437 CB VAL A 33 -6.666 24.937 -19.824 1.00 0.00 C ATOM 438 CG1 VAL A 33 -5.929 24.890 -21.154 1.00 0.00 C ATOM 439 CG2 VAL A 33 -5.950 25.852 -18.841 1.00 0.00 C ATOM 0 H VAL A 33 -7.621 27.419 -20.279 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.637 24.677 -20.663 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.678 23.930 -19.406 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.903 24.562 -20.990 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.430 24.191 -21.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.925 25.883 -21.603 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.923 25.511 -18.709 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.947 26.871 -19.228 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.466 25.830 -17.881 1.00 0.00 H new ATOM 449 N SER A 34 -9.545 24.406 -18.335 1.00 0.00 N ATOM 450 CA SER A 34 -10.263 24.346 -17.067 1.00 0.00 C ATOM 451 C SER A 34 -9.486 23.526 -16.042 1.00 0.00 C ATOM 452 O SER A 34 -9.212 22.345 -16.253 1.00 0.00 O ATOM 453 CB SER A 34 -11.653 23.741 -17.273 1.00 0.00 C ATOM 454 OG SER A 34 -12.645 24.503 -16.607 1.00 0.00 O ATOM 0 H SER A 34 -9.654 23.578 -18.921 1.00 0.00 H new ATOM 0 HA SER A 34 -10.369 25.363 -16.688 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.879 23.696 -18.338 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.666 22.717 -16.901 1.00 0.00 H new ATOM 0 HG SER A 34 -13.493 24.433 -17.094 1.00 0.00 H new ATOM 460 N VAL A 35 -9.134 24.163 -14.929 1.00 0.00 N ATOM 461 CA VAL A 35 -8.389 23.494 -13.869 1.00 0.00 C ATOM 462 C VAL A 35 -8.830 23.985 -12.494 1.00 0.00 C ATOM 463 O VAL A 35 -9.343 25.095 -12.354 1.00 0.00 O ATOM 464 CB VAL A 35 -6.873 23.719 -14.020 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.449 23.540 -15.470 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.486 25.098 -13.509 1.00 0.00 C ATOM 0 H VAL A 35 -9.353 25.141 -14.738 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.601 22.428 -13.957 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.351 22.975 -13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.375 23.703 -15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.691 22.529 -15.798 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.977 24.260 -16.095 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.411 25.240 -13.623 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.016 25.860 -14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.753 25.184 -12.456 1.00 0.00 H new ATOM 476 N HIS A 36 -8.626 23.149 -11.480 1.00 0.00 N ATOM 477 CA HIS A 36 -9.001 23.499 -10.115 1.00 0.00 C ATOM 478 C HIS A 36 -7.790 23.992 -9.328 1.00 0.00 C ATOM 479 O HIS A 36 -6.731 23.365 -9.341 1.00 0.00 O ATOM 480 CB HIS A 36 -9.624 22.293 -9.411 1.00 0.00 C ATOM 481 CG HIS A 36 -11.122 22.298 -9.427 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.872 23.447 -9.298 1.00 0.00 N ATOM 483 CD2 HIS A 36 -12.009 21.284 -9.561 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.156 23.141 -9.350 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.266 21.834 -9.509 1.00 0.00 N ATOM 0 H HIS A 36 -8.204 22.226 -11.578 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.735 24.304 -10.161 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.267 21.380 -9.887 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.280 22.269 -8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.772 20.238 -9.686 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.976 23.840 -9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.143 21.317 -9.581 1.00 0.00 H new ATOM 493 N TYR A 37 -7.955 25.120 -8.645 1.00 0.00 N ATOM 494 CA TYR A 37 -6.875 25.700 -7.856 1.00 0.00 C ATOM 495 C TYR A 37 -7.239 25.731 -6.374 1.00 0.00 C ATOM 496 O TYR A 37 -8.390 25.973 -6.010 1.00 0.00 O ATOM 497 CB TYR A 37 -6.559 27.114 -8.345 1.00 0.00 C ATOM 498 CG TYR A 37 -7.687 28.097 -8.124 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.884 28.691 -6.884 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.554 28.432 -9.157 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.914 29.589 -6.678 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.586 29.330 -8.960 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.762 29.905 -7.719 1.00 0.00 C ATOM 504 OH TYR A 37 -10.787 30.800 -7.518 1.00 0.00 O ATOM 0 H TYR A 37 -8.826 25.650 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.991 25.074 -7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.667 27.476 -7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.323 27.077 -9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.221 28.447 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.419 27.983 -10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.054 30.041 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.251 29.580 -9.773 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.290 30.913 -8.351 1.00 0.00 H new ATOM 514 N THR A 38 -6.248 25.486 -5.523 1.00 0.00 N ATOM 515 CA THR A 38 -6.462 25.485 -4.081 1.00 0.00 C ATOM 516 C THR A 38 -5.343 26.226 -3.359 1.00 0.00 C ATOM 517 O THR A 38 -4.188 25.803 -3.385 1.00 0.00 O ATOM 518 CB THR A 38 -6.554 24.051 -3.527 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.541 23.108 -4.604 1.00 0.00 O ATOM 520 CG2 THR A 38 -7.820 23.869 -2.703 1.00 0.00 C ATOM 0 H THR A 38 -5.289 25.286 -5.807 1.00 0.00 H new ATOM 0 HA THR A 38 -7.408 25.997 -3.902 1.00 0.00 H new ATOM 0 HB THR A 38 -5.692 23.878 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.598 22.199 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.863 22.849 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.814 24.568 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.692 24.060 -3.329 1.00 0.00 H new ATOM 528 N GLY A 39 -5.693 27.334 -2.713 1.00 0.00 N ATOM 529 CA GLY A 39 -4.706 28.116 -1.992 1.00 0.00 C ATOM 530 C GLY A 39 -4.565 27.681 -0.546 1.00 0.00 C ATOM 531 O GLY A 39 -5.545 27.652 0.198 1.00 0.00 O ATOM 0 H GLY A 39 -6.643 27.704 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.741 28.026 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.986 29.169 -2.026 1.00 0.00 H new ATOM 535 N TRP A 40 -3.344 27.341 -0.149 1.00 0.00 N ATOM 536 CA TRP A 40 -3.079 26.903 1.217 1.00 0.00 C ATOM 537 C TRP A 40 -1.899 27.663 1.813 1.00 0.00 C ATOM 538 O TRP A 40 -0.870 27.841 1.161 1.00 0.00 O ATOM 539 CB TRP A 40 -2.801 25.400 1.248 1.00 0.00 C ATOM 540 CG TRP A 40 -4.036 24.564 1.093 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.221 24.723 1.752 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.206 23.439 0.224 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.117 23.764 1.346 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.519 22.965 0.408 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.377 22.787 -0.693 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -6.019 21.869 -0.291 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.875 21.700 -1.386 1.00 0.00 C ATOM 548 CH2 TRP A 40 -5.186 21.250 -1.182 1.00 0.00 C ATOM 0 H TRP A 40 -2.522 27.360 -0.753 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.964 27.114 1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.100 25.151 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.315 25.147 2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.424 25.490 2.485 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.073 23.663 1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.365 23.127 -0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -7.029 21.520 -0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.243 21.189 -2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.546 20.398 -1.739 1.00 0.00 H new ATOM 559 N LEU A 41 -2.055 28.110 3.054 1.00 0.00 N ATOM 560 CA LEU A 41 -1.001 28.851 3.739 1.00 0.00 C ATOM 561 C LEU A 41 0.128 27.920 4.168 1.00 0.00 C ATOM 562 O LEU A 41 0.031 26.701 4.027 1.00 0.00 O ATOM 563 CB LEU A 41 -1.571 29.577 4.959 1.00 0.00 C ATOM 564 CG LEU A 41 -2.108 30.987 4.710 1.00 0.00 C ATOM 565 CD1 LEU A 41 -3.108 31.374 5.788 1.00 0.00 C ATOM 566 CD2 LEU A 41 -0.966 31.991 4.654 1.00 0.00 C ATOM 0 H LEU A 41 -2.901 27.972 3.607 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.596 29.586 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.376 28.971 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.792 29.635 5.719 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.620 30.996 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.480 32.380 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.941 30.672 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.621 31.348 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.367 32.989 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.426 31.981 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.286 31.724 3.845 1.00 0.00 H new ATOM 578 N THR A 42 1.201 28.503 4.695 1.00 0.00 N ATOM 579 CA THR A 42 2.349 27.727 5.146 1.00 0.00 C ATOM 580 C THR A 42 1.932 26.671 6.164 1.00 0.00 C ATOM 581 O THR A 42 2.565 25.620 6.276 1.00 0.00 O ATOM 582 CB THR A 42 3.427 28.631 5.774 1.00 0.00 C ATOM 583 OG1 THR A 42 2.920 29.244 6.965 1.00 0.00 O ATOM 584 CG2 THR A 42 3.869 29.706 4.793 1.00 0.00 C ATOM 0 H THR A 42 1.298 29.511 4.820 1.00 0.00 H new ATOM 0 HA THR A 42 2.765 27.236 4.266 1.00 0.00 H new ATOM 0 HB THR A 42 4.289 28.012 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.612 29.815 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.630 30.332 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.281 29.236 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.012 30.321 4.517 1.00 0.00 H new ATOM 592 N ASP A 43 0.865 26.955 6.902 1.00 0.00 N ATOM 593 CA ASP A 43 0.363 26.028 7.910 1.00 0.00 C ATOM 594 C ASP A 43 -0.650 25.063 7.303 1.00 0.00 C ATOM 595 O ASP A 43 -0.912 23.995 7.854 1.00 0.00 O ATOM 596 CB ASP A 43 -0.276 26.797 9.067 1.00 0.00 C ATOM 597 CG ASP A 43 0.684 27.778 9.711 1.00 0.00 C ATOM 598 OD1 ASP A 43 1.828 27.378 10.013 1.00 0.00 O ATOM 599 OD2 ASP A 43 0.291 28.947 9.911 1.00 0.00 O ATOM 0 H ASP A 43 0.331 27.820 6.821 1.00 0.00 H new ATOM 0 HA ASP A 43 1.206 25.450 8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.151 27.336 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.627 26.090 9.819 1.00 0.00 H new ATOM 604 N GLY A 44 -1.217 25.447 6.163 1.00 0.00 N ATOM 605 CA GLY A 44 -2.195 24.604 5.501 1.00 0.00 C ATOM 606 C GLY A 44 -3.580 25.221 5.491 1.00 0.00 C ATOM 607 O GLY A 44 -4.543 24.591 5.055 1.00 0.00 O ATOM 0 H GLY A 44 -1.016 26.326 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.876 24.419 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.235 23.637 6.002 1.00 0.00 H new ATOM 611 N GLN A 45 -3.680 26.455 5.975 1.00 0.00 N ATOM 612 CA GLN A 45 -4.958 27.155 6.022 1.00 0.00 C ATOM 613 C GLN A 45 -5.444 27.496 4.617 1.00 0.00 C ATOM 614 O GLN A 45 -4.745 28.158 3.850 1.00 0.00 O ATOM 615 CB GLN A 45 -4.833 28.432 6.855 1.00 0.00 C ATOM 616 CG GLN A 45 -5.250 28.255 8.306 1.00 0.00 C ATOM 617 CD GLN A 45 -5.123 29.534 9.110 1.00 0.00 C ATOM 618 OE1 GLN A 45 -5.821 30.515 8.852 1.00 0.00 O ATOM 619 NE2 GLN A 45 -4.229 29.531 10.092 1.00 0.00 N ATOM 0 H GLN A 45 -2.892 26.990 6.340 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.689 26.495 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.800 28.778 6.822 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.445 29.212 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.283 27.908 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.636 27.480 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.671 28.696 10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.100 30.364 10.667 1.00 0.00 H new ATOM 628 N LYS A 46 -6.647 27.039 4.286 1.00 0.00 N ATOM 629 CA LYS A 46 -7.228 27.295 2.974 1.00 0.00 C ATOM 630 C LYS A 46 -7.749 28.726 2.880 1.00 0.00 C ATOM 631 O LYS A 46 -8.537 29.167 3.716 1.00 0.00 O ATOM 632 CB LYS A 46 -8.364 26.309 2.695 1.00 0.00 C ATOM 633 CG LYS A 46 -8.854 26.335 1.258 1.00 0.00 C ATOM 634 CD LYS A 46 -9.507 25.020 0.866 1.00 0.00 C ATOM 635 CE LYS A 46 -10.787 24.778 1.651 1.00 0.00 C ATOM 636 NZ LYS A 46 -11.817 25.816 1.366 1.00 0.00 N ATOM 0 H LYS A 46 -7.239 26.489 4.909 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.447 27.161 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.026 25.301 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.199 26.533 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.568 27.149 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.016 26.539 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.729 25.027 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.811 24.200 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.185 23.794 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.563 24.772 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.720 25.355 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.941 26.421 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.510 26.398 0.561 1.00 0.00 H new ATOM 650 N PHE A 47 -7.305 29.446 1.855 1.00 0.00 N ATOM 651 CA PHE A 47 -7.726 30.827 1.651 1.00 0.00 C ATOM 652 C PHE A 47 -8.222 31.040 0.224 1.00 0.00 C ATOM 653 O PHE A 47 -8.344 32.173 -0.240 1.00 0.00 O ATOM 654 CB PHE A 47 -6.571 31.785 1.950 1.00 0.00 C ATOM 655 CG PHE A 47 -5.335 31.503 1.144 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.260 31.878 -0.188 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.249 30.863 1.719 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.124 31.619 -0.931 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.110 30.602 0.980 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.047 30.981 -0.346 1.00 0.00 C ATOM 0 H PHE A 47 -6.654 29.096 1.153 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.547 31.034 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.897 32.807 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.325 31.726 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.098 32.378 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.293 30.565 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.078 31.915 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.270 30.102 1.440 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.158 30.779 -0.925 1.00 0.00 H new ATOM 670 N ASP A 48 -8.504 29.941 -0.468 1.00 0.00 N ATOM 671 CA ASP A 48 -8.987 30.005 -1.842 1.00 0.00 C ATOM 672 C ASP A 48 -9.260 28.607 -2.389 1.00 0.00 C ATOM 673 O ASP A 48 -8.385 27.741 -2.370 1.00 0.00 O ATOM 674 CB ASP A 48 -7.969 30.723 -2.730 1.00 0.00 C ATOM 675 CG ASP A 48 -8.593 31.846 -3.535 1.00 0.00 C ATOM 676 OD1 ASP A 48 -9.797 31.750 -3.854 1.00 0.00 O ATOM 677 OD2 ASP A 48 -7.878 32.821 -3.846 1.00 0.00 O ATOM 0 H ASP A 48 -8.406 28.995 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.922 30.566 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.170 31.126 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.512 30.003 -3.409 1.00 0.00 H new ATOM 682 N SER A 49 -10.479 28.394 -2.873 1.00 0.00 N ATOM 683 CA SER A 49 -10.869 27.100 -3.420 1.00 0.00 C ATOM 684 C SER A 49 -11.980 27.260 -4.454 1.00 0.00 C ATOM 685 O SER A 49 -13.120 27.575 -4.112 1.00 0.00 O ATOM 686 CB SER A 49 -11.330 26.167 -2.299 1.00 0.00 C ATOM 687 OG SER A 49 -11.266 24.811 -2.705 1.00 0.00 O ATOM 0 H SER A 49 -11.214 29.101 -2.898 1.00 0.00 H new ATOM 0 HA SER A 49 -9.999 26.664 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.706 26.316 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.352 26.416 -2.012 1.00 0.00 H new ATOM 0 HG SER A 49 -11.564 24.235 -1.970 1.00 0.00 H new ATOM 693 N SER A 50 -11.638 27.040 -5.719 1.00 0.00 N ATOM 694 CA SER A 50 -12.604 27.162 -6.804 1.00 0.00 C ATOM 695 C SER A 50 -13.745 26.164 -6.631 1.00 0.00 C ATOM 696 O SER A 50 -14.813 26.314 -7.225 1.00 0.00 O ATOM 697 CB SER A 50 -11.918 26.941 -8.154 1.00 0.00 C ATOM 698 OG SER A 50 -12.170 28.021 -9.037 1.00 0.00 O ATOM 0 H SER A 50 -10.699 26.776 -6.018 1.00 0.00 H new ATOM 0 HA SER A 50 -13.019 28.170 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.844 26.831 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.275 26.012 -8.599 1.00 0.00 H new ATOM 0 HG SER A 50 -11.595 28.778 -8.800 1.00 0.00 H new ATOM 704 N LYS A 51 -13.510 25.143 -5.814 1.00 0.00 N ATOM 705 CA LYS A 51 -14.516 24.119 -5.560 1.00 0.00 C ATOM 706 C LYS A 51 -15.798 24.739 -5.012 1.00 0.00 C ATOM 707 O LYS A 51 -16.876 24.155 -5.118 1.00 0.00 O ATOM 708 CB LYS A 51 -13.978 23.079 -4.574 1.00 0.00 C ATOM 709 CG LYS A 51 -12.869 22.214 -5.148 1.00 0.00 C ATOM 710 CD LYS A 51 -13.428 21.039 -5.932 1.00 0.00 C ATOM 711 CE LYS A 51 -12.369 19.973 -6.169 1.00 0.00 C ATOM 712 NZ LYS A 51 -12.923 18.790 -6.884 1.00 0.00 N ATOM 0 H LYS A 51 -12.631 25.003 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.746 23.629 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.606 23.590 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.798 22.437 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.235 22.817 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.238 21.846 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.268 20.605 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.814 21.389 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.550 20.398 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.952 19.657 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.170 18.087 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.688 18.369 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.298 19.087 -7.807 1.00 0.00 H new ATOM 726 N ASP A 52 -15.672 25.925 -4.427 1.00 0.00 N ATOM 727 CA ASP A 52 -16.821 26.625 -3.864 1.00 0.00 C ATOM 728 C ASP A 52 -17.927 26.778 -4.904 1.00 0.00 C ATOM 729 O ASP A 52 -19.097 26.520 -4.622 1.00 0.00 O ATOM 730 CB ASP A 52 -16.401 28.000 -3.342 1.00 0.00 C ATOM 731 CG ASP A 52 -17.434 28.607 -2.413 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.566 28.117 -1.272 1.00 0.00 O ATOM 733 OD2 ASP A 52 -18.112 29.571 -2.827 1.00 0.00 O ATOM 0 H ASP A 52 -14.786 26.422 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.206 26.032 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.451 27.911 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.236 28.671 -4.185 1.00 0.00 H new ATOM 738 N ARG A 53 -17.548 27.200 -6.106 1.00 0.00 N ATOM 739 CA ARG A 53 -18.508 27.389 -7.187 1.00 0.00 C ATOM 740 C ARG A 53 -18.929 26.048 -7.781 1.00 0.00 C ATOM 741 O ARG A 53 -19.807 25.987 -8.641 1.00 0.00 O ATOM 742 CB ARG A 53 -17.909 28.277 -8.279 1.00 0.00 C ATOM 743 CG ARG A 53 -17.998 29.763 -7.973 1.00 0.00 C ATOM 744 CD ARG A 53 -17.055 30.158 -6.847 1.00 0.00 C ATOM 745 NE ARG A 53 -17.061 31.598 -6.609 1.00 0.00 N ATOM 746 CZ ARG A 53 -16.084 32.243 -5.980 1.00 0.00 C ATOM 747 NH1 ARG A 53 -15.028 31.578 -5.530 1.00 0.00 N ATOM 748 NH2 ARG A 53 -16.161 33.555 -5.801 1.00 0.00 N ATOM 0 H ARG A 53 -16.583 27.417 -6.356 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.391 27.877 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.863 28.006 -8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -18.422 28.077 -9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.756 30.335 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.021 30.018 -7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.343 29.638 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.043 29.835 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.858 32.139 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.964 30.569 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.280 32.076 -5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.971 34.070 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.410 34.049 -5.318 1.00 0.00 H new ATOM 762 N ASN A 54 -18.297 24.976 -7.315 1.00 0.00 N ATOM 763 CA ASN A 54 -18.605 23.636 -7.801 1.00 0.00 C ATOM 764 C ASN A 54 -18.254 23.499 -9.279 1.00 0.00 C ATOM 765 O ASN A 54 -18.706 22.572 -9.952 1.00 0.00 O ATOM 766 CB ASN A 54 -20.087 23.322 -7.586 1.00 0.00 C ATOM 767 CG ASN A 54 -20.563 23.699 -6.197 1.00 0.00 C ATOM 768 OD1 ASN A 54 -21.278 24.686 -6.021 1.00 0.00 O ATOM 769 ND2 ASN A 54 -20.167 22.914 -5.202 1.00 0.00 N ATOM 0 H ASN A 54 -17.569 25.009 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.003 22.924 -7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.680 23.857 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.257 22.258 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.455 23.119 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.575 22.106 -5.394 1.00 0.00 H new ATOM 776 N ASP A 55 -17.444 24.426 -9.777 1.00 0.00 N ATOM 777 CA ASP A 55 -17.030 24.409 -11.176 1.00 0.00 C ATOM 778 C ASP A 55 -15.546 24.739 -11.307 1.00 0.00 C ATOM 779 O ASP A 55 -14.974 25.472 -10.499 1.00 0.00 O ATOM 780 CB ASP A 55 -17.860 25.403 -11.988 1.00 0.00 C ATOM 781 CG ASP A 55 -17.316 26.816 -11.905 1.00 0.00 C ATOM 782 OD1 ASP A 55 -16.923 27.236 -10.797 1.00 0.00 O ATOM 783 OD2 ASP A 55 -17.284 27.501 -12.949 1.00 0.00 O ATOM 0 H ASP A 55 -17.061 25.199 -9.233 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.197 23.405 -11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.883 25.086 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.889 25.391 -11.629 1.00 0.00 H new ATOM 788 N PRO A 56 -14.907 24.186 -12.348 1.00 0.00 N ATOM 789 CA PRO A 56 -13.481 24.407 -12.609 1.00 0.00 C ATOM 790 C PRO A 56 -13.189 25.834 -13.062 1.00 0.00 C ATOM 791 O PRO A 56 -14.104 26.593 -13.383 1.00 0.00 O ATOM 792 CB PRO A 56 -13.168 23.415 -13.732 1.00 0.00 C ATOM 793 CG PRO A 56 -14.472 23.196 -14.419 1.00 0.00 C ATOM 794 CD PRO A 56 -15.525 23.302 -13.350 1.00 0.00 C ATOM 0 HA PRO A 56 -12.876 24.263 -11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.422 23.816 -14.418 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.768 22.482 -13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.632 23.940 -15.200 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.501 22.218 -14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.452 23.723 -13.740 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.770 22.327 -12.929 1.00 0.00 H new ATOM 802 N PHE A 57 -11.910 26.192 -13.086 1.00 0.00 N ATOM 803 CA PHE A 57 -11.498 27.528 -13.499 1.00 0.00 C ATOM 804 C PHE A 57 -10.992 27.520 -14.939 1.00 0.00 C ATOM 805 O PHE A 57 -9.896 27.038 -15.220 1.00 0.00 O ATOM 806 CB PHE A 57 -10.407 28.060 -12.567 1.00 0.00 C ATOM 807 CG PHE A 57 -9.876 29.405 -12.972 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.740 30.429 -13.323 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.511 29.645 -13.002 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.253 31.667 -13.698 1.00 0.00 C ATOM 811 CE2 PHE A 57 -8.018 30.881 -13.375 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.891 31.894 -13.722 1.00 0.00 C ATOM 0 H PHE A 57 -11.141 25.575 -12.824 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.367 28.183 -13.441 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.805 28.125 -11.555 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.584 27.346 -12.540 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.806 30.258 -13.303 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.825 28.857 -12.731 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.937 32.456 -13.972 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.952 31.055 -13.395 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.509 32.862 -14.012 1.00 0.00 H new ATOM 822 N ALA A 58 -11.800 28.058 -15.847 1.00 0.00 N ATOM 823 CA ALA A 58 -11.435 28.115 -17.257 1.00 0.00 C ATOM 824 C ALA A 58 -10.739 29.430 -17.591 1.00 0.00 C ATOM 825 O ALA A 58 -11.341 30.501 -17.510 1.00 0.00 O ATOM 826 CB ALA A 58 -12.668 27.932 -18.129 1.00 0.00 C ATOM 0 H ALA A 58 -12.712 28.461 -15.631 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.737 27.303 -17.459 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.381 27.977 -19.179 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.122 26.964 -17.918 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.386 28.724 -17.915 1.00 0.00 H new ATOM 832 N PHE A 59 -9.467 29.342 -17.965 1.00 0.00 N ATOM 833 CA PHE A 59 -8.687 30.525 -18.310 1.00 0.00 C ATOM 834 C PHE A 59 -7.747 30.236 -19.476 1.00 0.00 C ATOM 835 O PHE A 59 -7.318 29.099 -19.676 1.00 0.00 O ATOM 836 CB PHE A 59 -7.884 31.003 -17.099 1.00 0.00 C ATOM 837 CG PHE A 59 -6.705 30.130 -16.778 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.867 28.970 -16.037 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.436 30.468 -17.219 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.783 28.165 -15.740 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.349 29.666 -16.925 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.523 28.513 -16.185 1.00 0.00 C ATOM 0 H PHE A 59 -8.954 28.463 -18.037 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.380 31.311 -18.611 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.534 32.019 -17.283 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.542 31.045 -16.231 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.850 28.692 -15.688 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.294 31.368 -17.799 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.922 27.264 -15.160 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.365 29.941 -17.274 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.675 27.885 -15.955 1.00 0.00 H new ATOM 852 N VAL A 60 -7.430 31.274 -20.245 1.00 0.00 N ATOM 853 CA VAL A 60 -6.541 31.133 -21.391 1.00 0.00 C ATOM 854 C VAL A 60 -5.081 31.089 -20.952 1.00 0.00 C ATOM 855 O VAL A 60 -4.598 31.996 -20.273 1.00 0.00 O ATOM 856 CB VAL A 60 -6.729 32.287 -22.393 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.831 32.094 -23.605 1.00 0.00 C ATOM 858 CG2 VAL A 60 -8.187 32.396 -22.811 1.00 0.00 C ATOM 0 H VAL A 60 -7.776 32.221 -20.094 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.800 30.193 -21.878 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.444 33.219 -21.905 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.978 32.919 -24.302 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.789 32.070 -23.286 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.081 31.154 -24.097 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.302 33.217 -23.519 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.501 31.464 -23.281 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.804 32.586 -21.933 1.00 0.00 H new ATOM 868 N LEU A 61 -4.383 30.028 -21.343 1.00 0.00 N ATOM 869 CA LEU A 61 -2.977 29.865 -20.991 1.00 0.00 C ATOM 870 C LEU A 61 -2.095 30.785 -21.830 1.00 0.00 C ATOM 871 O LEU A 61 -2.158 30.771 -23.058 1.00 0.00 O ATOM 872 CB LEU A 61 -2.547 28.410 -21.186 1.00 0.00 C ATOM 873 CG LEU A 61 -1.042 28.163 -21.291 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.304 28.878 -20.170 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.743 26.671 -21.263 1.00 0.00 C ATOM 0 H LEU A 61 -4.768 29.268 -21.904 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.857 30.135 -19.942 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.934 27.823 -20.353 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.021 28.030 -22.091 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.693 28.565 -22.242 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.766 28.691 -20.261 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.492 29.950 -20.236 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.657 28.507 -19.208 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.333 26.514 -21.339 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.107 26.244 -20.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.241 26.184 -22.102 1.00 0.00 H new ATOM 887 N GLY A 62 -1.272 31.583 -21.156 1.00 0.00 N ATOM 888 CA GLY A 62 -0.388 32.497 -21.856 1.00 0.00 C ATOM 889 C GLY A 62 0.233 33.525 -20.931 1.00 0.00 C ATOM 890 O GLY A 62 1.441 33.752 -20.965 1.00 0.00 O ATOM 0 H GLY A 62 -1.202 31.613 -20.139 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.403 31.929 -22.346 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.946 33.008 -22.640 1.00 0.00 H new ATOM 894 N GLY A 63 -0.598 34.151 -20.103 1.00 0.00 N ATOM 895 CA GLY A 63 -0.105 35.155 -19.178 1.00 0.00 C ATOM 896 C GLY A 63 -0.852 36.469 -19.297 1.00 0.00 C ATOM 897 O GLY A 63 -1.193 36.900 -20.398 1.00 0.00 O ATOM 0 H GLY A 63 -1.603 33.981 -20.056 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.195 34.781 -18.158 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.956 35.325 -19.363 1.00 0.00 H new ATOM 901 N GLY A 64 -1.108 37.108 -18.159 1.00 0.00 N ATOM 902 CA GLY A 64 -1.819 38.373 -18.163 1.00 0.00 C ATOM 903 C GLY A 64 -2.772 38.506 -16.992 1.00 0.00 C ATOM 904 O GLY A 64 -2.917 39.587 -16.421 1.00 0.00 O ATOM 0 H GLY A 64 -0.836 36.772 -17.235 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.099 39.191 -18.136 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.377 38.470 -19.094 1.00 0.00 H new ATOM 908 N MET A 65 -3.425 37.405 -16.634 1.00 0.00 N ATOM 909 CA MET A 65 -4.370 37.404 -15.524 1.00 0.00 C ATOM 910 C MET A 65 -3.883 36.500 -14.396 1.00 0.00 C ATOM 911 O MET A 65 -4.257 36.680 -13.237 1.00 0.00 O ATOM 912 CB MET A 65 -5.750 36.947 -16.001 1.00 0.00 C ATOM 913 CG MET A 65 -6.875 37.884 -15.593 1.00 0.00 C ATOM 914 SD MET A 65 -8.349 37.683 -16.611 1.00 0.00 S ATOM 915 CE MET A 65 -8.496 39.320 -17.323 1.00 0.00 C ATOM 0 H MET A 65 -3.317 36.502 -17.097 1.00 0.00 H new ATOM 0 HA MET A 65 -4.445 38.422 -15.142 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.739 36.858 -17.087 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.953 35.953 -15.601 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.132 37.704 -14.549 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.528 38.915 -15.663 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.365 39.354 -17.980 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.614 40.054 -16.526 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.598 39.549 -17.897 1.00 0.00 H new ATOM 925 N VAL A 66 -3.047 35.526 -14.744 1.00 0.00 N ATOM 926 CA VAL A 66 -2.508 34.594 -13.760 1.00 0.00 C ATOM 927 C VAL A 66 -1.101 34.998 -13.334 1.00 0.00 C ATOM 928 O VAL A 66 -0.560 35.995 -13.811 1.00 0.00 O ATOM 929 CB VAL A 66 -2.474 33.156 -14.311 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.839 32.757 -14.848 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.408 33.024 -15.388 1.00 0.00 C ATOM 0 H VAL A 66 -2.729 35.362 -15.699 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.170 34.628 -12.894 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.220 32.479 -13.496 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.795 31.738 -15.233 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.575 32.810 -14.046 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.127 33.436 -15.651 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.398 32.002 -15.766 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.629 33.711 -16.205 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.432 33.264 -14.966 1.00 0.00 H new ATOM 941 N ILE A 67 -0.515 34.216 -12.434 1.00 0.00 N ATOM 942 CA ILE A 67 0.830 34.491 -11.945 1.00 0.00 C ATOM 943 C ILE A 67 1.861 33.615 -12.648 1.00 0.00 C ATOM 944 O ILE A 67 1.514 32.633 -13.305 1.00 0.00 O ATOM 945 CB ILE A 67 0.933 34.265 -10.425 1.00 0.00 C ATOM 946 CG1 ILE A 67 0.974 32.768 -10.111 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.234 34.930 -9.710 1.00 0.00 C ATOM 948 CD1 ILE A 67 0.995 32.462 -8.630 1.00 0.00 C ATOM 0 H ILE A 67 -0.950 33.387 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 67 1.037 35.539 -12.164 1.00 0.00 H new ATOM 0 HB ILE A 67 1.858 34.717 -10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.106 32.287 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.858 32.331 -10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.147 34.761 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.221 36.001 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.171 34.505 -10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.024 31.382 -8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.878 32.914 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.099 32.869 -8.162 1.00 0.00 H new ATOM 960 N LYS A 68 3.132 33.975 -12.505 1.00 0.00 N ATOM 961 CA LYS A 68 4.216 33.221 -13.123 1.00 0.00 C ATOM 962 C LYS A 68 4.074 31.729 -12.837 1.00 0.00 C ATOM 963 O LYS A 68 4.029 30.913 -13.756 1.00 0.00 O ATOM 964 CB LYS A 68 5.569 33.721 -12.613 1.00 0.00 C ATOM 965 CG LYS A 68 5.994 35.049 -13.218 1.00 0.00 C ATOM 966 CD LYS A 68 7.472 35.318 -12.990 1.00 0.00 C ATOM 967 CE LYS A 68 7.936 36.555 -13.743 1.00 0.00 C ATOM 968 NZ LYS A 68 9.286 37.000 -13.301 1.00 0.00 N ATOM 0 H LYS A 68 3.437 34.785 -11.966 1.00 0.00 H new ATOM 0 HA LYS A 68 4.162 33.374 -14.201 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.524 33.823 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.330 32.972 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.785 35.046 -14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.405 35.855 -12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.659 35.448 -11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.054 34.455 -13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.956 36.343 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.220 37.362 -13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.566 37.845 -13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.262 37.227 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.975 36.239 -13.469 1.00 0.00 H new ATOM 982 N GLY A 69 4.001 31.381 -11.556 1.00 0.00 N ATOM 983 CA GLY A 69 3.863 29.988 -11.173 1.00 0.00 C ATOM 984 C GLY A 69 2.691 29.312 -11.856 1.00 0.00 C ATOM 985 O GLY A 69 2.700 28.099 -12.063 1.00 0.00 O ATOM 0 H GLY A 69 4.035 32.038 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.781 29.454 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.737 29.922 -10.092 1.00 0.00 H new ATOM 989 N TRP A 70 1.679 30.098 -12.205 1.00 0.00 N ATOM 990 CA TRP A 70 0.493 29.567 -12.867 1.00 0.00 C ATOM 991 C TRP A 70 0.801 29.182 -14.310 1.00 0.00 C ATOM 992 O TRP A 70 0.629 28.029 -14.705 1.00 0.00 O ATOM 993 CB TRP A 70 -0.640 30.595 -12.832 1.00 0.00 C ATOM 994 CG TRP A 70 -1.849 30.120 -12.085 1.00 0.00 C ATOM 995 CD1 TRP A 70 -3.065 29.797 -12.615 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.959 29.917 -10.672 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.925 29.405 -11.617 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.270 29.469 -10.416 1.00 0.00 C ATOM 999 CE3 TRP A 70 -1.077 30.067 -9.598 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.717 29.173 -9.131 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.523 29.773 -8.324 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.833 29.330 -8.099 1.00 0.00 C ATOM 0 H TRP A 70 1.656 31.104 -12.041 1.00 0.00 H new ATOM 0 HA TRP A 70 0.179 28.672 -12.330 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.274 31.513 -12.371 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.927 30.844 -13.854 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.315 29.843 -13.665 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.894 29.114 -11.749 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.065 30.407 -9.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.726 28.831 -8.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.850 29.887 -7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.151 29.108 -7.091 1.00 0.00 H new ATOM 1013 N ASP A 71 1.258 30.154 -15.092 1.00 0.00 N ATOM 1014 CA ASP A 71 1.592 29.917 -16.492 1.00 0.00 C ATOM 1015 C ASP A 71 2.589 28.770 -16.625 1.00 0.00 C ATOM 1016 O ASP A 71 2.499 27.962 -17.549 1.00 0.00 O ATOM 1017 CB ASP A 71 2.167 31.185 -17.124 1.00 0.00 C ATOM 1018 CG ASP A 71 3.670 31.286 -16.954 1.00 0.00 C ATOM 1019 OD1 ASP A 71 4.399 30.596 -17.698 1.00 0.00 O ATOM 1020 OD2 ASP A 71 4.118 32.055 -16.079 1.00 0.00 O ATOM 0 H ASP A 71 1.406 31.114 -14.780 1.00 0.00 H new ATOM 0 HA ASP A 71 0.677 29.643 -17.017 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.922 31.201 -18.186 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.694 32.058 -16.675 1.00 0.00 H new ATOM 1025 N GLU A 72 3.538 28.707 -15.697 1.00 0.00 N ATOM 1026 CA GLU A 72 4.553 27.660 -15.713 1.00 0.00 C ATOM 1027 C GLU A 72 3.960 26.320 -15.286 1.00 0.00 C ATOM 1028 O GLU A 72 4.306 25.273 -15.830 1.00 0.00 O ATOM 1029 CB GLU A 72 5.716 28.032 -14.792 1.00 0.00 C ATOM 1030 CG GLU A 72 6.948 27.164 -14.986 1.00 0.00 C ATOM 1031 CD GLU A 72 7.591 27.359 -16.346 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.088 26.774 -17.328 1.00 0.00 O ATOM 1033 OE2 GLU A 72 8.596 28.095 -16.428 1.00 0.00 O ATOM 0 H GLU A 72 3.625 29.368 -14.925 1.00 0.00 H new ATOM 0 HA GLU A 72 4.923 27.565 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.985 29.074 -14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.387 27.955 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.676 27.394 -14.208 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.672 26.116 -14.865 1.00 0.00 H new ATOM 1040 N GLY A 73 3.062 26.363 -14.305 1.00 0.00 N ATOM 1041 CA GLY A 73 2.435 25.147 -13.820 1.00 0.00 C ATOM 1042 C GLY A 73 1.583 24.473 -14.877 1.00 0.00 C ATOM 1043 O GLY A 73 1.611 23.251 -15.021 1.00 0.00 O ATOM 0 H GLY A 73 2.758 27.218 -13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.206 24.454 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.816 25.381 -12.954 1.00 0.00 H new ATOM 1047 N VAL A 74 0.821 25.271 -15.618 1.00 0.00 N ATOM 1048 CA VAL A 74 -0.044 24.744 -16.667 1.00 0.00 C ATOM 1049 C VAL A 74 0.743 24.473 -17.944 1.00 0.00 C ATOM 1050 O VAL A 74 0.378 23.606 -18.737 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.197 25.716 -16.984 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.197 25.749 -15.839 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.656 27.108 -17.272 1.00 0.00 C ATOM 0 H VAL A 74 0.785 26.285 -15.511 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.459 23.808 -16.294 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.714 25.361 -17.876 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.004 26.441 -16.081 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.608 24.751 -15.686 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.697 26.079 -14.928 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.484 27.781 -17.494 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.113 27.475 -16.401 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.017 27.067 -18.128 1.00 0.00 H new ATOM 1063 N GLN A 75 1.825 25.220 -18.136 1.00 0.00 N ATOM 1064 CA GLN A 75 2.664 25.060 -19.318 1.00 0.00 C ATOM 1065 C GLN A 75 3.227 23.645 -19.398 1.00 0.00 C ATOM 1066 O GLN A 75 3.660 23.197 -20.459 1.00 0.00 O ATOM 1067 CB GLN A 75 3.807 26.076 -19.299 1.00 0.00 C ATOM 1068 CG GLN A 75 3.541 27.307 -20.151 1.00 0.00 C ATOM 1069 CD GLN A 75 4.642 28.343 -20.040 1.00 0.00 C ATOM 1070 OE1 GLN A 75 5.624 28.148 -19.323 1.00 0.00 O ATOM 1071 NE2 GLN A 75 4.483 29.454 -20.749 1.00 0.00 N ATOM 0 H GLN A 75 2.141 25.942 -17.489 1.00 0.00 H new ATOM 0 HA GLN A 75 2.046 25.236 -20.198 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.987 26.388 -18.270 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.718 25.592 -19.650 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.434 27.006 -21.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.594 27.755 -19.850 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.653 29.574 -21.330 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.191 30.188 -20.713 1.00 0.00 H new ATOM 1080 N GLY A 76 3.219 22.945 -18.267 1.00 0.00 N ATOM 1081 CA GLY A 76 3.732 21.588 -18.231 1.00 0.00 C ATOM 1082 C GLY A 76 2.687 20.585 -17.785 1.00 0.00 C ATOM 1083 O GLY A 76 2.666 19.449 -18.259 1.00 0.00 O ATOM 0 H GLY A 76 2.866 23.294 -17.376 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.095 21.314 -19.221 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.586 21.543 -17.555 1.00 0.00 H new ATOM 1087 N MET A 77 1.819 21.004 -16.870 1.00 0.00 N ATOM 1088 CA MET A 77 0.766 20.133 -16.360 1.00 0.00 C ATOM 1089 C MET A 77 -0.029 19.513 -17.505 1.00 0.00 C ATOM 1090 O MET A 77 -0.201 20.126 -18.559 1.00 0.00 O ATOM 1091 CB MET A 77 -0.170 20.915 -15.438 1.00 0.00 C ATOM 1092 CG MET A 77 0.223 20.845 -13.971 1.00 0.00 C ATOM 1093 SD MET A 77 -0.349 19.335 -13.170 1.00 0.00 S ATOM 1094 CE MET A 77 1.059 18.259 -13.430 1.00 0.00 C ATOM 0 H MET A 77 1.824 21.941 -16.467 1.00 0.00 H new ATOM 0 HA MET A 77 1.236 19.330 -15.792 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.187 21.959 -15.752 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.184 20.531 -15.553 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.308 20.908 -13.886 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.188 21.708 -13.447 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.045 17.457 -12.692 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.010 17.832 -14.432 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.980 18.833 -13.325 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.512 18.294 -17.292 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.291 17.591 -18.305 1.00 0.00 C ATOM 1106 C LYS A 78 -2.743 17.435 -17.864 1.00 0.00 C ATOM 1107 O LYS A 78 -3.050 17.494 -16.674 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.680 16.215 -18.582 1.00 0.00 C ATOM 1109 CG LYS A 78 0.769 16.273 -19.032 1.00 0.00 C ATOM 1110 CD LYS A 78 1.363 14.882 -19.178 1.00 0.00 C ATOM 1111 CE LYS A 78 2.882 14.913 -19.100 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.505 13.904 -20.001 1.00 0.00 N ATOM 0 H LYS A 78 -0.378 17.772 -16.426 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.270 18.183 -19.220 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.747 15.608 -17.679 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.270 15.712 -19.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.835 16.799 -19.984 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.352 16.845 -18.311 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.971 14.234 -18.395 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.055 14.452 -20.131 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.239 15.908 -19.367 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.197 14.726 -18.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.540 13.957 -19.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.185 12.952 -19.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.226 14.097 -20.984 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.632 17.235 -18.832 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.051 17.068 -18.544 1.00 0.00 C ATOM 1128 C VAL A 79 -5.279 15.945 -17.538 1.00 0.00 C ATOM 1129 O VAL A 79 -4.878 14.804 -17.764 1.00 0.00 O ATOM 1130 CB VAL A 79 -5.852 16.767 -19.824 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.343 16.721 -19.523 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.548 17.800 -20.898 1.00 0.00 C ATOM 0 H VAL A 79 -3.394 17.185 -19.823 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.401 18.009 -18.119 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.551 15.788 -20.198 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.893 16.507 -20.440 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.542 15.940 -18.790 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.663 17.683 -19.124 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.123 17.572 -21.796 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.819 18.792 -20.536 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.484 17.778 -21.133 1.00 0.00 H new ATOM 1142 N GLY A 80 -5.927 16.277 -16.425 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.197 15.285 -15.401 1.00 0.00 C ATOM 1144 C GLY A 80 -5.031 15.101 -14.450 1.00 0.00 C ATOM 1145 O GLY A 80 -5.096 14.289 -13.527 1.00 0.00 O ATOM 0 H GLY A 80 -6.269 17.215 -16.215 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.080 15.582 -14.835 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.429 14.331 -15.875 1.00 0.00 H new ATOM 1149 N GLY A 81 -3.960 15.855 -14.677 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.788 15.754 -13.826 1.00 0.00 C ATOM 1151 C GLY A 81 -2.828 16.729 -12.666 1.00 0.00 C ATOM 1152 O GLY A 81 -3.126 17.910 -12.849 1.00 0.00 O ATOM 0 H GLY A 81 -3.883 16.534 -15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.710 14.738 -13.440 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.894 15.939 -14.421 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.528 16.236 -11.469 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.531 17.072 -10.275 1.00 0.00 C ATOM 1158 C VAL A 82 -1.119 17.261 -9.733 1.00 0.00 C ATOM 1159 O VAL A 82 -0.371 16.297 -9.570 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.417 16.468 -9.169 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.424 17.365 -7.940 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.831 16.243 -9.683 1.00 0.00 C ATOM 0 H VAL A 82 -2.280 15.261 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.937 18.040 -10.568 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.001 15.502 -8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.055 16.922 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.408 17.470 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.814 18.347 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.443 15.816 -8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.259 17.194 -9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.805 15.557 -10.530 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.760 18.510 -9.454 1.00 0.00 N ATOM 1173 CA ARG A 83 0.563 18.827 -8.931 1.00 0.00 C ATOM 1174 C ARG A 83 0.500 20.015 -7.976 1.00 0.00 C ATOM 1175 O ARG A 83 -0.231 20.976 -8.212 1.00 0.00 O ATOM 1176 CB ARG A 83 1.529 19.131 -10.078 1.00 0.00 C ATOM 1177 CG ARG A 83 2.878 19.657 -9.615 1.00 0.00 C ATOM 1178 CD ARG A 83 4.022 18.998 -10.371 1.00 0.00 C ATOM 1179 NE ARG A 83 4.414 19.768 -11.548 1.00 0.00 N ATOM 1180 CZ ARG A 83 5.274 19.329 -12.460 1.00 0.00 C ATOM 1181 NH1 ARG A 83 5.827 18.131 -12.332 1.00 0.00 N ATOM 1182 NH2 ARG A 83 5.581 20.088 -13.504 1.00 0.00 N ATOM 0 H ARG A 83 -1.368 19.319 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 83 0.926 17.959 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.683 18.224 -10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.071 19.864 -10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.918 20.736 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.994 19.475 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.880 18.888 -9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.725 17.995 -10.676 1.00 0.00 H new ATOM 0 HE ARG A 83 4.005 20.694 -11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.592 17.544 -11.532 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.487 17.796 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.156 21.010 -13.607 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.242 19.750 -14.204 1.00 0.00 H new ATOM 1196 N ARG A 84 1.272 19.941 -6.896 1.00 0.00 N ATOM 1197 CA ARG A 84 1.303 21.010 -5.905 1.00 0.00 C ATOM 1198 C ARG A 84 2.321 22.079 -6.289 1.00 0.00 C ATOM 1199 O ARG A 84 3.528 21.884 -6.142 1.00 0.00 O ATOM 1200 CB ARG A 84 1.639 20.443 -4.524 1.00 0.00 C ATOM 1201 CG ARG A 84 1.121 21.292 -3.375 1.00 0.00 C ATOM 1202 CD ARG A 84 0.928 20.465 -2.113 1.00 0.00 C ATOM 1203 NE ARG A 84 2.153 20.379 -1.323 1.00 0.00 N ATOM 1204 CZ ARG A 84 2.243 19.712 -0.177 1.00 0.00 C ATOM 1205 NH1 ARG A 84 1.186 19.077 0.309 1.00 0.00 N ATOM 1206 NH2 ARG A 84 3.393 19.680 0.485 1.00 0.00 N ATOM 0 H ARG A 84 1.884 19.152 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 84 0.315 21.470 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.221 19.440 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.721 20.346 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.821 22.103 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.174 21.751 -3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.136 20.907 -1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.600 19.461 -2.384 1.00 0.00 H new ATOM 0 HE ARG A 84 2.985 20.857 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.301 19.099 -0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.258 18.566 1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.209 20.168 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.461 19.168 1.364 1.00 0.00 H new ATOM 1220 N LEU A 85 1.826 23.209 -6.782 1.00 0.00 N ATOM 1221 CA LEU A 85 2.692 24.310 -7.189 1.00 0.00 C ATOM 1222 C LEU A 85 2.988 25.234 -6.012 1.00 0.00 C ATOM 1223 O LEU A 85 2.075 25.786 -5.396 1.00 0.00 O ATOM 1224 CB LEU A 85 2.042 25.104 -8.324 1.00 0.00 C ATOM 1225 CG LEU A 85 2.821 26.321 -8.824 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.848 25.906 -9.865 1.00 0.00 C ATOM 1227 CD2 LEU A 85 1.872 27.365 -9.394 1.00 0.00 C ATOM 0 H LEU A 85 0.830 23.387 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 85 3.633 23.888 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.880 24.430 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.060 25.438 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 85 3.349 26.763 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.393 26.785 -10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.547 25.196 -9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.342 25.439 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.444 28.224 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.316 26.935 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.175 27.685 -8.619 1.00 0.00 H new ATOM 1239 N THR A 86 4.270 25.400 -5.704 1.00 0.00 N ATOM 1240 CA THR A 86 4.687 26.257 -4.601 1.00 0.00 C ATOM 1241 C THR A 86 5.177 27.608 -5.110 1.00 0.00 C ATOM 1242 O THR A 86 6.153 27.683 -5.856 1.00 0.00 O ATOM 1243 CB THR A 86 5.803 25.599 -3.769 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.749 24.175 -3.916 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.671 25.967 -2.299 1.00 0.00 C ATOM 0 H THR A 86 5.038 24.952 -6.203 1.00 0.00 H new ATOM 0 HA THR A 86 3.812 26.406 -3.968 1.00 0.00 H new ATOM 0 HB THR A 86 6.762 25.966 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.463 23.764 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.470 25.490 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.742 27.049 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.706 25.626 -1.924 1.00 0.00 H new ATOM 1253 N ILE A 87 4.495 28.672 -4.700 1.00 0.00 N ATOM 1254 CA ILE A 87 4.863 30.020 -5.114 1.00 0.00 C ATOM 1255 C ILE A 87 5.321 30.855 -3.923 1.00 0.00 C ATOM 1256 O ILE A 87 4.677 30.893 -2.875 1.00 0.00 O ATOM 1257 CB ILE A 87 3.689 30.737 -5.807 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.111 29.858 -6.918 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.142 32.077 -6.365 1.00 0.00 C ATOM 1260 CD1 ILE A 87 2.026 28.917 -6.442 1.00 0.00 C ATOM 0 H ILE A 87 3.685 28.627 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 87 5.685 29.919 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 87 2.907 30.919 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.707 30.497 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.916 29.275 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.301 32.571 -6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.511 32.703 -5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.939 31.918 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.663 28.325 -7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.430 28.253 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.202 29.494 -6.022 1.00 0.00 H new ATOM 1272 N PRO A 88 6.462 31.542 -4.086 1.00 0.00 N ATOM 1273 CA PRO A 88 7.032 32.390 -3.035 1.00 0.00 C ATOM 1274 C PRO A 88 6.198 33.643 -2.786 1.00 0.00 C ATOM 1275 O PRO A 88 5.266 33.955 -3.527 1.00 0.00 O ATOM 1276 CB PRO A 88 8.408 32.766 -3.590 1.00 0.00 C ATOM 1277 CG PRO A 88 8.262 32.658 -5.069 1.00 0.00 C ATOM 1278 CD PRO A 88 7.283 31.543 -5.308 1.00 0.00 C ATOM 0 HA PRO A 88 7.070 31.878 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.692 33.775 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.182 32.094 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.899 33.594 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.221 32.443 -5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.679 31.722 -6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.789 30.588 -5.453 1.00 0.00 H new ATOM 1286 N PRO A 89 6.539 34.379 -1.718 1.00 0.00 N ATOM 1287 CA PRO A 89 5.835 35.610 -1.347 1.00 0.00 C ATOM 1288 C PRO A 89 6.092 36.744 -2.334 1.00 0.00 C ATOM 1289 O PRO A 89 5.508 37.821 -2.220 1.00 0.00 O ATOM 1290 CB PRO A 89 6.419 35.953 0.025 1.00 0.00 C ATOM 1291 CG PRO A 89 7.767 35.318 0.033 1.00 0.00 C ATOM 1292 CD PRO A 89 7.640 34.067 -0.791 1.00 0.00 C ATOM 0 HA PRO A 89 4.753 35.476 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.489 37.031 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.794 35.565 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.517 35.988 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.083 35.085 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.563 33.842 -1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.410 33.200 -0.172 1.00 0.00 H new ATOM 1300 N GLN A 90 6.967 36.494 -3.302 1.00 0.00 N ATOM 1301 CA GLN A 90 7.300 37.495 -4.308 1.00 0.00 C ATOM 1302 C GLN A 90 6.549 37.231 -5.608 1.00 0.00 C ATOM 1303 O GLN A 90 6.035 38.156 -6.239 1.00 0.00 O ATOM 1304 CB GLN A 90 8.808 37.504 -4.569 1.00 0.00 C ATOM 1305 CG GLN A 90 9.405 36.116 -4.734 1.00 0.00 C ATOM 1306 CD GLN A 90 10.862 36.154 -5.151 1.00 0.00 C ATOM 1307 OE1 GLN A 90 11.179 36.289 -6.333 1.00 0.00 O ATOM 1308 NE2 GLN A 90 11.759 36.035 -4.179 1.00 0.00 N ATOM 0 H GLN A 90 7.458 35.607 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 90 6.998 38.471 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.009 38.086 -5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.308 38.010 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.314 35.571 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.832 35.564 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.452 35.925 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.755 36.054 -4.399 1.00 0.00 H new ATOM 1317 N LEU A 91 6.488 35.965 -6.004 1.00 0.00 N ATOM 1318 CA LEU A 91 5.798 35.579 -7.231 1.00 0.00 C ATOM 1319 C LEU A 91 4.338 35.238 -6.950 1.00 0.00 C ATOM 1320 O LEU A 91 3.659 34.638 -7.783 1.00 0.00 O ATOM 1321 CB LEU A 91 6.498 34.382 -7.877 1.00 0.00 C ATOM 1322 CG LEU A 91 8.007 34.519 -8.085 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.543 33.346 -8.891 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.334 35.836 -8.773 1.00 0.00 C ATOM 0 H LEU A 91 6.908 35.188 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 91 5.829 36.425 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.315 33.503 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.034 34.194 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 91 8.491 34.514 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.618 33.460 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.343 32.417 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.053 33.319 -9.864 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.412 35.916 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.839 35.872 -9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.986 36.665 -8.157 1.00 0.00 H new ATOM 1336 N GLY A 92 3.861 35.627 -5.772 1.00 0.00 N ATOM 1337 CA GLY A 92 2.483 35.355 -5.404 1.00 0.00 C ATOM 1338 C GLY A 92 1.677 36.623 -5.200 1.00 0.00 C ATOM 1339 O GLY A 92 0.852 36.983 -6.040 1.00 0.00 O ATOM 0 H GLY A 92 4.403 36.125 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.015 34.751 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.464 34.765 -4.488 1.00 0.00 H new ATOM 1343 N TYR A 93 1.914 37.300 -4.082 1.00 0.00 N ATOM 1344 CA TYR A 93 1.201 38.532 -3.769 1.00 0.00 C ATOM 1345 C TYR A 93 2.168 39.706 -3.647 1.00 0.00 C ATOM 1346 O TYR A 93 1.880 40.695 -2.974 1.00 0.00 O ATOM 1347 CB TYR A 93 0.409 38.372 -2.470 1.00 0.00 C ATOM 1348 CG TYR A 93 -0.713 37.363 -2.566 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -1.605 37.386 -3.631 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -0.883 36.388 -1.591 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -2.633 36.467 -3.722 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -1.906 35.464 -1.675 1.00 0.00 C ATOM 1353 CZ TYR A 93 -2.779 35.508 -2.742 1.00 0.00 C ATOM 1354 OH TYR A 93 -3.800 34.590 -2.828 1.00 0.00 O ATOM 0 H TYR A 93 2.595 37.016 -3.377 1.00 0.00 H new ATOM 0 HA TYR A 93 0.509 38.738 -4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.090 38.071 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.006 39.339 -2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.493 38.135 -4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.203 36.352 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.318 36.500 -4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.022 34.711 -0.909 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.640 33.863 -2.191 1.00 0.00 H new ATOM 1364 N GLY A 94 3.318 39.587 -4.304 1.00 0.00 N ATOM 1365 CA GLY A 94 4.311 40.645 -4.258 1.00 0.00 C ATOM 1366 C GLY A 94 4.718 40.996 -2.840 1.00 0.00 C ATOM 1367 O GLY A 94 4.228 40.400 -1.881 1.00 0.00 O ATOM 0 H GLY A 94 3.580 38.778 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.193 40.337 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.914 41.533 -4.749 1.00 0.00 H new ATOM 1371 N ALA A 95 5.618 41.964 -2.708 1.00 0.00 N ATOM 1372 CA ALA A 95 6.091 42.394 -1.397 1.00 0.00 C ATOM 1373 C ALA A 95 4.944 42.936 -0.551 1.00 0.00 C ATOM 1374 O ALA A 95 5.010 42.928 0.679 1.00 0.00 O ATOM 1375 CB ALA A 95 7.181 43.445 -1.548 1.00 0.00 C ATOM 0 H ALA A 95 6.035 42.466 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 95 6.507 41.526 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.525 43.757 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.017 43.025 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.783 44.307 -2.083 1.00 0.00 H new ATOM 1381 N ARG A 96 3.894 43.407 -1.216 1.00 0.00 N ATOM 1382 CA ARG A 96 2.734 43.954 -0.524 1.00 0.00 C ATOM 1383 C ARG A 96 2.006 42.867 0.262 1.00 0.00 C ATOM 1384 O ARG A 96 1.691 43.043 1.438 1.00 0.00 O ATOM 1385 CB ARG A 96 1.775 44.603 -1.525 1.00 0.00 C ATOM 1386 CG ARG A 96 0.828 45.611 -0.896 1.00 0.00 C ATOM 1387 CD ARG A 96 -0.406 44.934 -0.322 1.00 0.00 C ATOM 1388 NE ARG A 96 -1.525 45.862 -0.184 1.00 0.00 N ATOM 1389 CZ ARG A 96 -2.271 46.272 -1.204 1.00 0.00 C ATOM 1390 NH1 ARG A 96 -2.018 45.837 -2.430 1.00 0.00 N ATOM 1391 NH2 ARG A 96 -3.272 47.118 -0.997 1.00 0.00 N ATOM 0 H ARG A 96 3.823 43.421 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 96 3.085 44.712 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.356 45.099 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.190 43.823 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.346 46.155 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.527 46.345 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.699 44.106 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.166 44.508 0.652 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.746 46.215 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.249 45.186 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.592 46.153 -3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.469 47.454 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.844 47.432 -1.781 1.00 0.00 H new ATOM 1405 N GLY A 97 1.742 41.743 -0.398 1.00 0.00 N ATOM 1406 CA GLY A 97 1.053 40.645 0.254 1.00 0.00 C ATOM 1407 C GLY A 97 -0.386 40.981 0.590 1.00 0.00 C ATOM 1408 O GLY A 97 -0.752 42.152 0.681 1.00 0.00 O ATOM 0 H GLY A 97 1.993 41.574 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.076 39.769 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.584 40.379 1.168 1.00 0.00 H new ATOM 1412 N ALA A 98 -1.205 39.950 0.774 1.00 0.00 N ATOM 1413 CA ALA A 98 -2.612 40.142 1.102 1.00 0.00 C ATOM 1414 C ALA A 98 -2.776 41.083 2.291 1.00 0.00 C ATOM 1415 O ALA A 98 -1.843 41.287 3.066 1.00 0.00 O ATOM 1416 CB ALA A 98 -3.274 38.803 1.391 1.00 0.00 C ATOM 0 H ALA A 98 -0.918 38.974 0.701 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.101 40.599 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.325 38.962 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.198 38.162 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.775 38.324 2.233 1.00 0.00 H new ATOM 1422 N GLY A 99 -3.968 41.656 2.427 1.00 0.00 N ATOM 1423 CA GLY A 99 -4.231 42.570 3.523 1.00 0.00 C ATOM 1424 C GLY A 99 -3.856 41.983 4.870 1.00 0.00 C ATOM 1425 O GLY A 99 -2.745 42.188 5.357 1.00 0.00 O ATOM 0 H GLY A 99 -4.756 41.503 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.673 43.493 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.289 42.833 3.527 1.00 0.00 H new ATOM 1429 N GLY A 100 -4.787 41.251 5.475 1.00 0.00 N ATOM 1430 CA GLY A 100 -4.530 40.645 6.768 1.00 0.00 C ATOM 1431 C GLY A 100 -4.753 39.146 6.761 1.00 0.00 C ATOM 1432 O GLY A 100 -5.167 38.567 7.765 1.00 0.00 O ATOM 0 H GLY A 100 -5.714 41.067 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.503 40.855 7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.179 41.102 7.515 1.00 0.00 H new ATOM 1436 N VAL A 101 -4.479 38.514 5.624 1.00 0.00 N ATOM 1437 CA VAL A 101 -4.652 37.073 5.489 1.00 0.00 C ATOM 1438 C VAL A 101 -3.331 36.389 5.155 1.00 0.00 C ATOM 1439 O VAL A 101 -3.101 35.241 5.536 1.00 0.00 O ATOM 1440 CB VAL A 101 -5.685 36.731 4.399 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -5.827 35.224 4.252 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -7.027 37.373 4.717 1.00 0.00 C ATOM 0 H VAL A 101 -4.136 38.978 4.783 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.014 36.707 6.450 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.332 37.133 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.561 35.002 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.865 34.793 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.157 34.796 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.745 37.121 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.389 37.003 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.910 38.456 4.766 1.00 0.00 H new ATOM 1452 N ILE A 102 -2.466 37.102 4.441 1.00 0.00 N ATOM 1453 CA ILE A 102 -1.167 36.565 4.056 1.00 0.00 C ATOM 1454 C ILE A 102 -0.034 37.449 4.565 1.00 0.00 C ATOM 1455 O ILE A 102 -0.055 38.671 4.423 1.00 0.00 O ATOM 1456 CB ILE A 102 -1.046 36.424 2.527 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -2.179 35.551 1.982 1.00 0.00 C ATOM 1458 CG2 ILE A 102 0.307 35.839 2.154 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -2.118 34.117 2.458 1.00 0.00 C ATOM 0 H ILE A 102 -2.642 38.053 4.118 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.087 35.578 4.511 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.127 37.414 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.135 35.983 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.146 35.566 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.377 35.746 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.099 36.496 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.416 34.855 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.951 33.557 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.178 33.667 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.181 34.092 3.546 1.00 0.00 H new ATOM 1471 N PRO A 103 0.982 36.817 5.172 1.00 0.00 N ATOM 1472 CA PRO A 103 2.145 37.527 5.713 1.00 0.00 C ATOM 1473 C PRO A 103 3.032 38.107 4.616 1.00 0.00 C ATOM 1474 O PRO A 103 2.889 37.788 3.436 1.00 0.00 O ATOM 1475 CB PRO A 103 2.895 36.440 6.487 1.00 0.00 C ATOM 1476 CG PRO A 103 2.492 35.163 5.835 1.00 0.00 C ATOM 1477 CD PRO A 103 1.074 35.362 5.376 1.00 0.00 C ATOM 0 HA PRO A 103 1.853 38.381 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.973 36.589 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.624 36.448 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.145 34.931 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.563 34.329 6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.869 34.814 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.358 35.015 6.121 1.00 0.00 H new ATOM 1485 N PRO A 104 3.970 38.980 5.012 1.00 0.00 N ATOM 1486 CA PRO A 104 4.899 39.622 4.078 1.00 0.00 C ATOM 1487 C PRO A 104 5.915 38.640 3.504 1.00 0.00 C ATOM 1488 O PRO A 104 6.181 38.639 2.303 1.00 0.00 O ATOM 1489 CB PRO A 104 5.600 40.674 4.941 1.00 0.00 C ATOM 1490 CG PRO A 104 5.502 40.149 6.332 1.00 0.00 C ATOM 1491 CD PRO A 104 4.197 39.407 6.403 1.00 0.00 C ATOM 0 HA PRO A 104 4.384 40.037 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.639 40.805 4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.117 41.647 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.339 39.489 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.529 40.961 7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.256 38.555 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.391 40.046 6.764 1.00 0.00 H new ATOM 1499 N ASN A 105 6.479 37.805 4.370 1.00 0.00 N ATOM 1500 CA ASN A 105 7.466 36.818 3.949 1.00 0.00 C ATOM 1501 C ASN A 105 7.028 35.410 4.339 1.00 0.00 C ATOM 1502 O ASN A 105 7.024 35.054 5.517 1.00 0.00 O ATOM 1503 CB ASN A 105 8.829 37.131 4.571 1.00 0.00 C ATOM 1504 CG ASN A 105 8.721 37.530 6.030 1.00 0.00 C ATOM 1505 OD1 ASN A 105 8.636 36.676 6.913 1.00 0.00 O ATOM 1506 ND2 ASN A 105 8.722 38.832 6.289 1.00 0.00 N ATOM 0 H ASN A 105 6.269 37.792 5.368 1.00 0.00 H new ATOM 0 HA ASN A 105 7.550 36.866 2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.475 36.257 4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.304 37.936 4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.650 39.160 7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.794 39.504 5.525 1.00 0.00 H new ATOM 1513 N ALA A 106 6.661 34.612 3.342 1.00 0.00 N ATOM 1514 CA ALA A 106 6.224 33.242 3.580 1.00 0.00 C ATOM 1515 C ALA A 106 5.941 32.520 2.267 1.00 0.00 C ATOM 1516 O ALA A 106 5.589 33.145 1.266 1.00 0.00 O ATOM 1517 CB ALA A 106 4.989 33.229 4.469 1.00 0.00 C ATOM 0 H ALA A 106 6.658 34.891 2.361 1.00 0.00 H new ATOM 0 HA ALA A 106 7.030 32.713 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.674 32.200 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.223 33.699 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.184 33.780 3.982 1.00 0.00 H new ATOM 1523 N THR A 107 6.098 31.200 2.277 1.00 0.00 N ATOM 1524 CA THR A 107 5.861 30.393 1.087 1.00 0.00 C ATOM 1525 C THR A 107 4.389 30.017 0.961 1.00 0.00 C ATOM 1526 O THR A 107 3.789 29.494 1.901 1.00 0.00 O ATOM 1527 CB THR A 107 6.708 29.107 1.102 1.00 0.00 C ATOM 1528 OG1 THR A 107 8.101 29.437 1.104 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.389 28.234 -0.102 1.00 0.00 C ATOM 0 H THR A 107 6.388 30.667 3.097 1.00 0.00 H new ATOM 0 HA THR A 107 6.152 31.001 0.231 1.00 0.00 H new ATOM 0 HB THR A 107 6.467 28.550 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.632 28.614 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.000 27.332 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.334 27.959 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.604 28.785 -1.018 1.00 0.00 H new ATOM 1537 N LEU A 108 3.811 30.287 -0.204 1.00 0.00 N ATOM 1538 CA LEU A 108 2.408 29.976 -0.453 1.00 0.00 C ATOM 1539 C LEU A 108 2.266 28.644 -1.183 1.00 0.00 C ATOM 1540 O LEU A 108 2.864 28.436 -2.239 1.00 0.00 O ATOM 1541 CB LEU A 108 1.755 31.091 -1.272 1.00 0.00 C ATOM 1542 CG LEU A 108 1.837 32.497 -0.676 1.00 0.00 C ATOM 1543 CD1 LEU A 108 2.943 33.297 -1.347 1.00 0.00 C ATOM 1544 CD2 LEU A 108 0.501 33.212 -0.812 1.00 0.00 C ATOM 0 H LEU A 108 4.293 30.721 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 108 1.903 29.897 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.218 31.109 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.704 30.840 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 108 2.073 32.409 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.987 34.295 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.898 32.793 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.738 33.377 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.578 34.211 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.235 33.290 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.269 32.648 -0.285 1.00 0.00 H new ATOM 1556 N VAL A 109 1.470 27.745 -0.614 1.00 0.00 N ATOM 1557 CA VAL A 109 1.247 26.434 -1.212 1.00 0.00 C ATOM 1558 C VAL A 109 -0.048 26.410 -2.017 1.00 0.00 C ATOM 1559 O VAL A 109 -1.141 26.485 -1.456 1.00 0.00 O ATOM 1560 CB VAL A 109 1.192 25.330 -0.139 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.830 23.992 -0.767 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.518 25.239 0.600 1.00 0.00 C ATOM 0 H VAL A 109 0.969 27.900 0.261 1.00 0.00 H new ATOM 0 HA VAL A 109 2.089 26.242 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 109 0.417 25.588 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.796 23.224 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.146 24.067 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.580 23.724 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.461 24.454 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.314 25.005 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.731 26.192 1.084 1.00 0.00 H new ATOM 1572 N PHE A 110 0.084 26.305 -3.335 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.076 26.272 -4.218 1.00 0.00 C ATOM 1574 C PHE A 110 -1.148 24.947 -4.972 1.00 0.00 C ATOM 1575 O PHE A 110 -0.152 24.481 -5.524 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.020 27.434 -5.212 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.398 28.757 -4.609 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.725 29.155 -4.555 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.428 29.602 -4.096 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.075 30.372 -4.002 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.773 30.820 -3.541 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.098 31.205 -3.493 1.00 0.00 C ATOM 0 H PHE A 110 0.982 26.241 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.971 26.370 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.012 27.504 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.687 27.220 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.494 28.507 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.610 29.306 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.112 30.672 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.007 31.470 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.370 32.156 -3.058 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.334 24.346 -4.988 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.535 23.074 -5.672 1.00 0.00 C ATOM 1594 C GLU A 111 -3.251 23.280 -7.004 1.00 0.00 C ATOM 1595 O GLU A 111 -4.330 23.870 -7.057 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.341 22.118 -4.790 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.125 20.652 -5.126 1.00 0.00 C ATOM 1598 CD GLU A 111 -3.485 20.324 -6.563 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -4.693 20.257 -6.871 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -2.558 20.134 -7.378 1.00 0.00 O ATOM 0 H GLU A 111 -3.169 24.719 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.556 22.637 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.073 22.286 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.401 22.352 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.081 20.392 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.725 20.037 -4.455 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.641 22.790 -8.078 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.218 22.919 -9.411 1.00 0.00 C ATOM 1609 C VAL A 112 -3.509 21.551 -10.019 1.00 0.00 C ATOM 1610 O VAL A 112 -2.602 20.742 -10.210 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.284 23.700 -10.354 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -2.916 23.847 -11.730 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -1.948 25.061 -9.764 1.00 0.00 C ATOM 0 H VAL A 112 -1.747 22.300 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.152 23.470 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.356 23.139 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.242 24.401 -12.383 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.100 22.860 -12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.860 24.386 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.287 25.599 -10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.865 25.632 -9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.450 24.928 -8.803 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.779 21.301 -10.320 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.189 20.030 -10.906 1.00 0.00 C ATOM 1625 C GLU A 113 -5.896 20.250 -12.241 1.00 0.00 C ATOM 1626 O GLU A 113 -7.023 20.745 -12.285 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.110 19.274 -9.947 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.050 20.177 -9.167 1.00 0.00 C ATOM 1629 CD GLU A 113 -8.294 19.452 -8.691 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -8.734 18.512 -9.385 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.828 19.825 -7.625 1.00 0.00 O ATOM 0 H GLU A 113 -5.542 21.961 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.293 19.434 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.699 18.554 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.501 18.705 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.522 20.588 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.342 21.019 -9.794 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.227 19.878 -13.326 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.790 20.034 -14.663 1.00 0.00 C ATOM 1640 C LEU A 114 -7.046 19.184 -14.827 1.00 0.00 C ATOM 1641 O LEU A 114 -7.028 17.977 -14.580 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.756 19.646 -15.721 1.00 0.00 C ATOM 1643 CG LEU A 114 -3.969 20.800 -16.345 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -4.831 21.557 -17.343 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -3.452 21.738 -15.264 1.00 0.00 C ATOM 0 H LEU A 114 -4.294 19.466 -13.307 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.062 21.081 -14.797 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.047 18.951 -15.270 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.267 19.107 -16.519 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.114 20.385 -16.878 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.254 22.374 -17.776 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.151 20.880 -18.134 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.707 21.961 -16.835 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.895 22.553 -15.726 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.293 22.146 -14.703 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.797 21.188 -14.588 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.133 19.820 -15.247 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.399 19.122 -15.448 1.00 0.00 C ATOM 1659 C LEU A 115 -9.720 18.994 -16.933 1.00 0.00 C ATOM 1660 O LEU A 115 -10.296 17.997 -17.370 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.530 19.861 -14.731 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.610 19.661 -13.217 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -10.823 20.992 -12.513 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.724 18.685 -12.866 1.00 0.00 C ATOM 0 H LEU A 115 -8.164 20.818 -15.455 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.305 18.120 -15.029 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.424 20.927 -14.931 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.477 19.547 -15.169 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.664 19.240 -12.875 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.877 20.830 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.991 21.660 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.753 21.442 -12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.766 18.555 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.677 19.077 -13.222 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.528 17.723 -13.340 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.343 20.007 -17.705 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.589 20.006 -19.142 1.00 0.00 C ATOM 1678 C ASP A 116 -8.844 21.152 -19.821 1.00 0.00 C ATOM 1679 O ASP A 116 -8.370 22.076 -19.160 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.087 20.117 -19.426 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.484 19.436 -20.721 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.504 18.188 -20.752 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -11.773 20.151 -21.703 1.00 0.00 O ATOM 0 H ASP A 116 -8.866 20.840 -17.360 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.220 19.064 -19.548 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.644 19.674 -18.601 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.368 21.169 -19.471 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.744 21.084 -21.145 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.058 22.115 -21.914 1.00 0.00 C ATOM 1690 C VAL A 117 -9.051 23.089 -22.537 1.00 0.00 C ATOM 1691 O VAL A 117 -10.229 22.754 -22.656 1.00 0.00 O ATOM 1692 CB VAL A 117 -7.190 21.500 -23.028 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.520 22.592 -23.847 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.156 20.554 -22.437 1.00 0.00 C ATOM 0 H VAL A 117 -9.130 20.325 -21.707 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.415 22.653 -21.218 1.00 0.00 H new ATOM 0 HB VAL A 117 -7.836 20.926 -23.692 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.911 22.138 -24.629 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.282 23.225 -24.302 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.886 23.196 -23.198 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.552 20.129 -23.238 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.512 21.102 -21.749 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.662 19.752 -21.899 1.00 0.00 H new TER 1704 VAL A 117 HETATM 1705 C1 L2S A 130 -5.152 32.429 -9.952 1.00 0.00 C HETATM 1706 N1 L2S A 130 -5.841 34.175 -7.744 1.00 0.00 N HETATM 1707 O1 L2S A 130 -5.333 35.885 -6.318 1.00 0.00 O HETATM 1708 S1 L2S A 130 -7.901 37.053 -5.813 1.00 0.00 S HETATM 1709 C2 L2S A 130 -4.281 33.642 -9.640 1.00 0.00 C HETATM 1710 C3 L2S A 130 -4.414 34.022 -8.153 1.00 0.00 C HETATM 1711 C4 L2S A 130 -6.785 33.098 -8.157 1.00 0.00 C HETATM 1712 C5 L2S A 130 -6.625 32.723 -9.638 1.00 0.00 C HETATM 1713 C6 L2S A 130 -6.166 35.143 -6.847 1.00 0.00 C HETATM 1714 C7 L2S A 130 -7.644 35.357 -6.488 1.00 0.00 C HETATM 1715 C8 L2S A 130 -7.338 36.967 -4.152 1.00 0.00 C HETATM 1716 C9 L2S A 130 -6.323 37.877 -3.774 1.00 0.00 C HETATM 1717 C10 L2S A 130 -5.689 37.740 -2.525 1.00 0.00 C HETATM 1718 C11 L2S A 130 -6.093 36.689 -1.661 1.00 0.00 C HETATM 1719 C12 L2S A 130 -7.103 35.781 -2.031 1.00 0.00 C HETATM 1720 C13 L2S A 130 -7.736 35.918 -3.281 1.00 0.00 C HETATM 1721 C14 L2S A 130 -5.465 36.551 -0.420 1.00 0.00 C HETATM 0 H314 L2S A 130 -4.398 36.386 -0.569 1.00 0.00 H new HETATM 0 H214 L2S A 130 -5.614 37.458 0.166 1.00 0.00 H new HETATM 0 H114 L2S A 130 -5.893 35.701 0.112 1.00 0.00 H new HETATM 0 H113 L2S A 130 -8.524 35.226 -3.578 1.00 0.00 H new HETATM 0 H112 L2S A 130 -7.393 34.977 -1.354 1.00 0.00 H new HETATM 0 H9 L2S A 130 -6.033 38.682 -4.449 1.00 0.00 H new HETATM 0 H27 L2S A 130 -7.958 34.615 -5.754 1.00 0.00 H new HETATM 0 H25 L2S A 130 -6.984 33.537 -10.268 1.00 0.00 H new HETATM 0 H24 L2S A 130 -6.618 32.215 -7.540 1.00 0.00 H new HETATM 0 H23 L2S A 130 -3.881 34.955 -7.967 1.00 0.00 H new HETATM 0 H22 L2S A 130 -3.240 33.422 -9.875 1.00 0.00 H new HETATM 0 H21 L2S A 130 -5.046 32.160 -11.003 1.00 0.00 H new HETATM 0 H17 L2S A 130 -8.264 35.213 -7.372 1.00 0.00 H new HETATM 0 H15 L2S A 130 -7.235 31.850 -9.868 1.00 0.00 H new HETATM 0 H14 L2S A 130 -7.809 33.425 -7.975 1.00 0.00 H new HETATM 0 H13 L2S A 130 -3.940 33.256 -7.539 1.00 0.00 H new HETATM 0 H12 L2S A 130 -4.578 34.483 -10.266 1.00 0.00 H new HETATM 0 H11 L2S A 130 -4.814 31.573 -9.368 1.00 0.00 H new HETATM 0 H10 L2S A 130 -4.900 38.430 -2.226 1.00 0.00 H new