USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= -0.539 K(o=0.2,f=-5.9!) USER MOD Set 1.2: A 92 THR OG1 : rot -162:sc= 0.743 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.434 K(o=-0.69,f=-2.1!) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.257 K(o=-0.69,f=-5) USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0293 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00494 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -145:sc= -1.31! USER MOD Single : A 19 GLN : amide:sc= -2.01 K(o=-2,f=-2.9!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.591 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0267) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -170:sc= -1.56 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.178 F(o=-1.5,f=-0.18) USER MOD Single : A 52 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= 0.25 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -51:sc= 0.862 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.433 X(o=-0.43,f=0.0057) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00129) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -2.8! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -48:sc= 0.841 USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -60:sc= -1.35 USER MOD Single : A 91 ASN : amide:sc= -0.039 K(o=-0.039,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.418 -0.760 0.052 1.00 0.00 N ATOM 2 CA ALA A 1 1.048 -0.364 -1.201 1.00 0.00 C ATOM 3 C ALA A 1 0.811 -1.407 -2.288 1.00 0.00 C ATOM 4 O ALA A 1 0.727 -2.603 -2.008 1.00 0.00 O ATOM 5 CB ALA A 1 2.540 -0.144 -0.995 1.00 0.00 C ATOM 0 H1 ALA A 1 1.097 -0.650 0.832 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.412 -0.159 0.228 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.119 -1.754 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 1 0.595 0.572 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.998 0.151 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.693 0.642 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.999 -1.068 -0.643 1.00 0.00 H new ATOM 11 N LEU A 2 0.702 -0.946 -3.529 1.00 0.00 N ATOM 12 CA LEU A 2 0.473 -1.839 -4.660 1.00 0.00 C ATOM 13 C LEU A 2 1.790 -2.402 -5.184 1.00 0.00 C ATOM 14 O LEU A 2 2.697 -1.653 -5.545 1.00 0.00 O ATOM 15 CB LEU A 2 -0.260 -1.098 -5.780 1.00 0.00 C ATOM 16 CG LEU A 2 -0.223 -1.760 -7.158 1.00 0.00 C ATOM 17 CD1 LEU A 2 -0.824 -3.155 -7.097 1.00 0.00 C ATOM 18 CD2 LEU A 2 -0.959 -0.905 -8.179 1.00 0.00 C ATOM 0 H LEU A 2 0.768 0.041 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 2 -0.145 -2.669 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -1.302 -0.975 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.167 -0.099 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 2 0.818 -1.849 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.789 -3.610 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.255 -3.766 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.860 -3.091 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.923 -1.391 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.998 -0.785 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.484 0.074 -8.244 1.00 0.00 H new ATOM 30 N SER A 3 1.886 -3.727 -5.225 1.00 0.00 N ATOM 31 CA SER A 3 3.093 -4.391 -5.704 1.00 0.00 C ATOM 32 C SER A 3 2.764 -5.374 -6.824 1.00 0.00 C ATOM 33 O SER A 3 1.730 -6.042 -6.796 1.00 0.00 O ATOM 34 CB SER A 3 3.788 -5.124 -4.555 1.00 0.00 C ATOM 35 OG SER A 3 4.820 -5.967 -5.037 1.00 0.00 O ATOM 0 H SER A 3 1.143 -4.362 -4.933 1.00 0.00 H new ATOM 0 HA SER A 3 3.765 -3.629 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.204 -4.399 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.058 -5.717 -4.003 1.00 0.00 H new ATOM 0 HG SER A 3 5.249 -6.422 -4.283 1.00 0.00 H new ATOM 41 N CYS A 4 3.651 -5.457 -7.810 1.00 0.00 N ATOM 42 CA CYS A 4 3.457 -6.357 -8.940 1.00 0.00 C ATOM 43 C CYS A 4 3.175 -7.778 -8.462 1.00 0.00 C ATOM 44 O CYS A 4 2.464 -8.537 -9.120 1.00 0.00 O ATOM 45 CB CYS A 4 4.691 -6.347 -9.845 1.00 0.00 C ATOM 46 SG CYS A 4 4.956 -4.773 -10.722 1.00 0.00 S ATOM 0 H CYS A 4 4.512 -4.911 -7.849 1.00 0.00 H new ATOM 0 HA CYS A 4 2.595 -6.006 -9.508 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.572 -6.568 -9.243 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.597 -7.148 -10.578 1.00 0.00 H new ATOM 51 N GLY A 5 3.739 -8.132 -7.311 1.00 0.00 N ATOM 52 CA GLY A 5 3.537 -9.461 -6.763 1.00 0.00 C ATOM 53 C GLY A 5 2.070 -9.831 -6.667 1.00 0.00 C ATOM 54 O GLY A 5 1.714 -11.009 -6.722 1.00 0.00 O ATOM 0 H GLY A 5 4.332 -7.522 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.053 -10.191 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.988 -9.515 -5.772 1.00 0.00 H new ATOM 58 N THR A 6 1.215 -8.824 -6.520 1.00 0.00 N ATOM 59 CA THR A 6 -0.221 -9.049 -6.413 1.00 0.00 C ATOM 60 C THR A 6 -0.894 -8.969 -7.778 1.00 0.00 C ATOM 61 O THR A 6 -1.900 -9.633 -8.025 1.00 0.00 O ATOM 62 CB THR A 6 -0.881 -8.028 -5.467 1.00 0.00 C ATOM 63 OG1 THR A 6 -0.296 -8.119 -4.163 1.00 0.00 O ATOM 64 CG2 THR A 6 -2.380 -8.267 -5.375 1.00 0.00 C ATOM 0 H THR A 6 1.493 -7.844 -6.472 1.00 0.00 H new ATOM 0 HA THR A 6 -0.354 -10.051 -6.004 1.00 0.00 H new ATOM 0 HB THR A 6 -0.713 -7.029 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.720 -7.466 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.825 -7.534 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.826 -8.168 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.566 -9.271 -4.993 1.00 0.00 H new ATOM 72 N VAL A 7 -0.331 -8.153 -8.663 1.00 0.00 N ATOM 73 CA VAL A 7 -0.876 -7.987 -10.006 1.00 0.00 C ATOM 74 C VAL A 7 -0.993 -9.329 -10.720 1.00 0.00 C ATOM 75 O VAL A 7 -1.993 -9.607 -11.381 1.00 0.00 O ATOM 76 CB VAL A 7 -0.004 -7.041 -10.853 1.00 0.00 C ATOM 77 CG1 VAL A 7 -0.569 -6.910 -12.259 1.00 0.00 C ATOM 78 CG2 VAL A 7 0.107 -5.679 -10.185 1.00 0.00 C ATOM 0 H VAL A 7 0.503 -7.596 -8.475 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.868 -7.550 -9.894 1.00 0.00 H new ATOM 0 HB VAL A 7 0.997 -7.466 -10.928 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.060 -6.238 -12.843 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.592 -7.890 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.581 -6.508 -12.209 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.726 -5.023 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.887 -5.244 -10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.561 -5.792 -9.201 1.00 0.00 H new ATOM 88 N SER A 8 0.037 -10.158 -10.582 1.00 0.00 N ATOM 89 CA SER A 8 0.051 -11.471 -11.217 1.00 0.00 C ATOM 90 C SER A 8 -1.219 -12.249 -10.886 1.00 0.00 C ATOM 91 O SER A 8 -1.783 -12.930 -11.741 1.00 0.00 O ATOM 92 CB SER A 8 1.280 -12.264 -10.769 1.00 0.00 C ATOM 93 OG SER A 8 1.262 -13.577 -11.303 1.00 0.00 O ATOM 0 H SER A 8 0.872 -9.944 -10.037 1.00 0.00 H new ATOM 0 HA SER A 8 0.095 -11.325 -12.296 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.186 -11.750 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.309 -12.311 -9.680 1.00 0.00 H new ATOM 0 HG SER A 8 2.059 -14.063 -11.003 1.00 0.00 H new ATOM 99 N ALA A 9 -1.662 -12.141 -9.638 1.00 0.00 N ATOM 100 CA ALA A 9 -2.866 -12.832 -9.193 1.00 0.00 C ATOM 101 C ALA A 9 -4.058 -12.486 -10.080 1.00 0.00 C ATOM 102 O ALA A 9 -4.970 -13.294 -10.254 1.00 0.00 O ATOM 103 CB ALA A 9 -3.168 -12.486 -7.742 1.00 0.00 C ATOM 0 H ALA A 9 -1.205 -11.582 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.688 -13.905 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.070 -13.009 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.331 -12.790 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.320 -11.411 -7.648 1.00 0.00 H new ATOM 109 N ASP A 10 -4.043 -11.281 -10.637 1.00 0.00 N ATOM 110 CA ASP A 10 -5.123 -10.828 -11.507 1.00 0.00 C ATOM 111 C ASP A 10 -4.969 -11.406 -12.910 1.00 0.00 C ATOM 112 O ASP A 10 -5.955 -11.608 -13.621 1.00 0.00 O ATOM 113 CB ASP A 10 -5.147 -9.300 -11.572 1.00 0.00 C ATOM 114 CG ASP A 10 -6.338 -8.772 -12.348 1.00 0.00 C ATOM 115 OD1 ASP A 10 -7.245 -9.572 -12.658 1.00 0.00 O ATOM 116 OD2 ASP A 10 -6.362 -7.559 -12.646 1.00 0.00 O ATOM 0 H ASP A 10 -3.296 -10.600 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.066 -11.181 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.169 -8.897 -10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.228 -8.945 -12.037 1.00 0.00 H new ATOM 121 N LEU A 11 -3.728 -11.671 -13.303 1.00 0.00 N ATOM 122 CA LEU A 11 -3.445 -12.226 -14.622 1.00 0.00 C ATOM 123 C LEU A 11 -3.738 -13.723 -14.657 1.00 0.00 C ATOM 124 O LEU A 11 -3.880 -14.312 -15.728 1.00 0.00 O ATOM 125 CB LEU A 11 -1.985 -11.971 -15.002 1.00 0.00 C ATOM 126 CG LEU A 11 -1.698 -11.813 -16.495 1.00 0.00 C ATOM 127 CD1 LEU A 11 -0.396 -11.057 -16.711 1.00 0.00 C ATOM 128 CD2 LEU A 11 -1.646 -13.173 -17.176 1.00 0.00 C ATOM 0 H LEU A 11 -2.902 -11.510 -12.727 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.094 -11.731 -15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.650 -11.069 -14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.382 -12.796 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.508 -11.236 -16.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.208 -10.954 -17.780 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.470 -10.068 -16.259 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.425 -11.606 -16.250 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.441 -13.040 -18.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.857 -13.775 -16.726 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.603 -13.679 -17.052 1.00 0.00 H new ATOM 140 N ALA A 12 -3.828 -14.331 -13.479 1.00 0.00 N ATOM 141 CA ALA A 12 -4.108 -15.757 -13.375 1.00 0.00 C ATOM 142 C ALA A 12 -5.319 -16.142 -14.218 1.00 0.00 C ATOM 143 O ALA A 12 -5.232 -16.957 -15.137 1.00 0.00 O ATOM 144 CB ALA A 12 -4.329 -16.147 -11.921 1.00 0.00 C ATOM 0 H ALA A 12 -3.711 -13.858 -12.583 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.244 -16.300 -13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.537 -17.215 -11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.434 -15.917 -11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.174 -15.588 -11.519 1.00 0.00 H new ATOM 150 N PRO A 13 -6.476 -15.543 -13.900 1.00 0.00 N ATOM 151 CA PRO A 13 -7.727 -15.808 -14.617 1.00 0.00 C ATOM 152 C PRO A 13 -7.713 -15.247 -16.035 1.00 0.00 C ATOM 153 O PRO A 13 -8.628 -15.495 -16.821 1.00 0.00 O ATOM 154 CB PRO A 13 -8.781 -15.092 -13.769 1.00 0.00 C ATOM 155 CG PRO A 13 -8.031 -14.014 -13.065 1.00 0.00 C ATOM 156 CD PRO A 13 -6.653 -14.562 -12.817 1.00 0.00 C ATOM 0 HA PRO A 13 -7.910 -16.876 -14.736 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.576 -14.680 -14.390 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.251 -15.775 -13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.988 -13.109 -13.671 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.519 -13.747 -12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.896 -13.779 -12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.577 -15.029 -11.835 1.00 0.00 H new ATOM 164 N CYS A 14 -6.670 -14.490 -16.356 1.00 0.00 N ATOM 165 CA CYS A 14 -6.536 -13.893 -17.679 1.00 0.00 C ATOM 166 C CYS A 14 -5.547 -14.681 -18.534 1.00 0.00 C ATOM 167 O CYS A 14 -5.369 -14.396 -19.718 1.00 0.00 O ATOM 168 CB CYS A 14 -6.078 -12.438 -17.562 1.00 0.00 C ATOM 169 SG CYS A 14 -7.125 -11.414 -16.478 1.00 0.00 S ATOM 0 H CYS A 14 -5.904 -14.275 -15.717 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.512 -13.922 -18.163 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.055 -12.419 -17.185 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.059 -11.993 -18.557 1.00 0.00 H new ATOM 174 N VAL A 15 -4.907 -15.674 -17.925 1.00 0.00 N ATOM 175 CA VAL A 15 -3.938 -16.505 -18.629 1.00 0.00 C ATOM 176 C VAL A 15 -4.609 -17.319 -19.730 1.00 0.00 C ATOM 177 O VAL A 15 -4.220 -17.248 -20.896 1.00 0.00 O ATOM 178 CB VAL A 15 -3.214 -17.463 -17.665 1.00 0.00 C ATOM 179 CG1 VAL A 15 -2.266 -18.375 -18.429 1.00 0.00 C ATOM 180 CG2 VAL A 15 -2.468 -16.680 -16.596 1.00 0.00 C ATOM 0 H VAL A 15 -5.042 -15.923 -16.945 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.207 -15.830 -19.075 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.960 -18.086 -17.172 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.764 -19.045 -17.731 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.831 -18.963 -19.153 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.523 -17.772 -18.952 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.962 -17.373 -15.924 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.731 -16.030 -17.068 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.175 -16.075 -16.029 1.00 0.00 H new ATOM 190 N THR A 16 -5.621 -18.094 -19.352 1.00 0.00 N ATOM 191 CA THR A 16 -6.347 -18.923 -20.306 1.00 0.00 C ATOM 192 C THR A 16 -6.793 -18.108 -21.514 1.00 0.00 C ATOM 193 O THR A 16 -6.657 -18.548 -22.656 1.00 0.00 O ATOM 194 CB THR A 16 -7.582 -19.576 -19.657 1.00 0.00 C ATOM 195 OG1 THR A 16 -8.359 -20.251 -20.652 1.00 0.00 O ATOM 196 CG2 THR A 16 -8.440 -18.534 -18.956 1.00 0.00 C ATOM 0 H THR A 16 -5.956 -18.165 -18.391 1.00 0.00 H new ATOM 0 HA THR A 16 -5.661 -19.705 -20.632 1.00 0.00 H new ATOM 0 HB THR A 16 -7.237 -20.297 -18.916 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.141 -20.665 -20.231 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.306 -19.019 -18.506 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.854 -18.043 -18.179 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.776 -17.792 -19.680 1.00 0.00 H new ATOM 204 N TYR A 17 -7.326 -16.919 -21.256 1.00 0.00 N ATOM 205 CA TYR A 17 -7.794 -16.043 -22.324 1.00 0.00 C ATOM 206 C TYR A 17 -6.630 -15.567 -23.187 1.00 0.00 C ATOM 207 O TYR A 17 -6.719 -15.549 -24.416 1.00 0.00 O ATOM 208 CB TYR A 17 -8.535 -14.841 -21.737 1.00 0.00 C ATOM 209 CG TYR A 17 -8.883 -13.785 -22.763 1.00 0.00 C ATOM 210 CD1 TYR A 17 -9.448 -14.134 -23.983 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.649 -12.439 -22.510 1.00 0.00 C ATOM 212 CE1 TYR A 17 -9.767 -13.174 -24.923 1.00 0.00 C ATOM 213 CE2 TYR A 17 -8.967 -11.472 -23.444 1.00 0.00 C ATOM 214 CZ TYR A 17 -9.525 -11.844 -24.649 1.00 0.00 C ATOM 215 OH TYR A 17 -9.843 -10.884 -25.582 1.00 0.00 O ATOM 0 H TYR A 17 -7.445 -16.539 -20.317 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.479 -16.612 -22.953 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -9.451 -15.187 -21.259 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.920 -14.390 -20.958 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.641 -15.174 -24.200 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.211 -12.144 -21.568 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.204 -13.463 -25.868 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.780 -10.430 -23.232 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.181 -10.162 -25.547 1.00 0.00 H new ATOM 225 N LEU A 18 -5.538 -15.181 -22.536 1.00 0.00 N ATOM 226 CA LEU A 18 -4.354 -14.704 -23.242 1.00 0.00 C ATOM 227 C LEU A 18 -3.768 -15.801 -24.124 1.00 0.00 C ATOM 228 O LEU A 18 -3.111 -15.520 -25.126 1.00 0.00 O ATOM 229 CB LEU A 18 -3.302 -14.219 -22.244 1.00 0.00 C ATOM 230 CG LEU A 18 -3.578 -12.870 -21.579 1.00 0.00 C ATOM 231 CD1 LEU A 18 -2.681 -12.679 -20.366 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.382 -11.735 -22.574 1.00 0.00 C ATOM 0 H LEU A 18 -5.448 -15.189 -21.520 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.652 -13.871 -23.879 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.197 -14.972 -21.463 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.343 -14.158 -22.759 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.615 -12.857 -21.243 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.892 -11.714 -19.906 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.871 -13.474 -19.645 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.637 -12.713 -20.677 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.583 -10.782 -22.084 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.355 -11.745 -22.940 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.067 -11.863 -23.412 1.00 0.00 H new ATOM 244 N GLN A 19 -4.012 -17.052 -23.746 1.00 0.00 N ATOM 245 CA GLN A 19 -3.509 -18.191 -24.504 1.00 0.00 C ATOM 246 C GLN A 19 -4.532 -18.652 -25.536 1.00 0.00 C ATOM 247 O GLN A 19 -4.204 -19.395 -26.461 1.00 0.00 O ATOM 248 CB GLN A 19 -3.162 -19.345 -23.562 1.00 0.00 C ATOM 249 CG GLN A 19 -2.132 -18.978 -22.505 1.00 0.00 C ATOM 250 CD GLN A 19 -2.115 -19.953 -21.344 1.00 0.00 C ATOM 251 OE1 GLN A 19 -3.111 -20.620 -21.064 1.00 0.00 O ATOM 252 NE2 GLN A 19 -0.980 -20.039 -20.660 1.00 0.00 N ATOM 0 H GLN A 19 -4.555 -17.302 -22.919 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.607 -17.876 -25.029 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.072 -19.686 -23.068 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.785 -20.182 -24.150 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.143 -18.946 -22.962 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.342 -17.976 -22.130 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.179 -19.467 -20.927 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.909 -20.677 -19.867 1.00 0.00 H new ATOM 261 N ALA A 20 -5.774 -18.208 -25.371 1.00 0.00 N ATOM 262 CA ALA A 20 -6.845 -18.574 -26.290 1.00 0.00 C ATOM 263 C ALA A 20 -6.871 -17.647 -27.500 1.00 0.00 C ATOM 264 O ALA A 20 -6.292 -16.560 -27.492 1.00 0.00 O ATOM 265 CB ALA A 20 -8.187 -18.549 -25.573 1.00 0.00 C ATOM 0 H ALA A 20 -6.063 -17.594 -24.609 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.655 -19.587 -26.646 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.978 -18.824 -26.271 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.171 -19.258 -24.745 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.375 -17.547 -25.188 1.00 0.00 H new ATOM 271 N PRO A 21 -7.558 -18.083 -28.566 1.00 0.00 N ATOM 272 CA PRO A 21 -7.676 -17.306 -29.804 1.00 0.00 C ATOM 273 C PRO A 21 -8.545 -16.066 -29.629 1.00 0.00 C ATOM 274 O PRO A 21 -9.162 -15.871 -28.582 1.00 0.00 O ATOM 275 CB PRO A 21 -8.334 -18.288 -30.777 1.00 0.00 C ATOM 276 CG PRO A 21 -9.080 -19.240 -29.907 1.00 0.00 C ATOM 277 CD PRO A 21 -8.273 -19.368 -28.645 1.00 0.00 C ATOM 0 HA PRO A 21 -6.711 -16.930 -30.144 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.004 -17.774 -31.466 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.589 -18.805 -31.382 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.083 -18.869 -29.693 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.195 -20.207 -30.396 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.910 -19.528 -27.775 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.582 -20.210 -28.693 1.00 0.00 H new ATOM 285 N ASN A 22 -8.590 -15.230 -30.661 1.00 0.00 N ATOM 286 CA ASN A 22 -9.384 -14.007 -30.621 1.00 0.00 C ATOM 287 C ASN A 22 -10.873 -14.329 -30.524 1.00 0.00 C ATOM 288 O ASN A 22 -11.685 -13.462 -30.205 1.00 0.00 O ATOM 289 CB ASN A 22 -9.114 -13.158 -31.864 1.00 0.00 C ATOM 290 CG ASN A 22 -7.959 -12.196 -31.667 1.00 0.00 C ATOM 291 OD1 ASN A 22 -8.010 -11.314 -30.809 1.00 0.00 O ATOM 292 ND2 ASN A 22 -6.909 -12.360 -32.464 1.00 0.00 N ATOM 0 H ASN A 22 -8.086 -15.377 -31.536 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.093 -13.443 -29.735 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.898 -13.813 -32.708 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.012 -12.596 -32.119 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.102 -11.742 -32.379 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.909 -13.104 -33.161 1.00 0.00 H new ATOM 299 N ASN A 23 -11.221 -15.581 -30.802 1.00 0.00 N ATOM 300 CA ASN A 23 -12.612 -16.017 -30.746 1.00 0.00 C ATOM 301 C ASN A 23 -13.057 -16.230 -29.302 1.00 0.00 C ATOM 302 O ASN A 23 -14.245 -16.149 -28.990 1.00 0.00 O ATOM 303 CB ASN A 23 -12.795 -17.310 -31.543 1.00 0.00 C ATOM 304 CG ASN A 23 -14.216 -17.484 -32.044 1.00 0.00 C ATOM 305 OD1 ASN A 23 -14.971 -18.307 -31.527 1.00 0.00 O ATOM 306 ND2 ASN A 23 -14.585 -16.708 -33.056 1.00 0.00 N ATOM 0 H ASN A 23 -10.560 -16.311 -31.068 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.230 -15.235 -31.187 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.111 -17.311 -32.392 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.527 -18.161 -30.917 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.529 -16.780 -33.436 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.925 -16.040 -33.453 1.00 0.00 H new ATOM 313 N ALA A 24 -12.096 -16.501 -28.425 1.00 0.00 N ATOM 314 CA ALA A 24 -12.389 -16.722 -27.015 1.00 0.00 C ATOM 315 C ALA A 24 -12.560 -15.399 -26.276 1.00 0.00 C ATOM 316 O ALA A 24 -12.126 -14.350 -26.752 1.00 0.00 O ATOM 317 CB ALA A 24 -11.287 -17.550 -26.371 1.00 0.00 C ATOM 0 H ALA A 24 -11.108 -16.573 -28.667 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.328 -17.271 -26.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.519 -17.708 -25.318 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.215 -18.514 -26.875 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.337 -17.023 -26.459 1.00 0.00 H new ATOM 323 N SER A 25 -13.196 -15.456 -25.110 1.00 0.00 N ATOM 324 CA SER A 25 -13.428 -14.261 -24.307 1.00 0.00 C ATOM 325 C SER A 25 -12.876 -14.439 -22.895 1.00 0.00 C ATOM 326 O SER A 25 -12.629 -15.554 -22.434 1.00 0.00 O ATOM 327 CB SER A 25 -14.924 -13.945 -24.246 1.00 0.00 C ATOM 328 OG SER A 25 -15.307 -13.084 -25.303 1.00 0.00 O ATOM 0 H SER A 25 -13.560 -16.317 -24.701 1.00 0.00 H new ATOM 0 HA SER A 25 -12.907 -13.429 -24.780 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.497 -14.871 -24.301 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.162 -13.480 -23.289 1.00 0.00 H new ATOM 0 HG SER A 25 -16.267 -12.899 -25.242 1.00 0.00 H new ATOM 334 N PRO A 26 -12.678 -13.315 -22.192 1.00 0.00 N ATOM 335 CA PRO A 26 -12.154 -13.319 -20.823 1.00 0.00 C ATOM 336 C PRO A 26 -13.231 -13.638 -19.792 1.00 0.00 C ATOM 337 O PRO A 26 -14.415 -13.365 -19.989 1.00 0.00 O ATOM 338 CB PRO A 26 -11.641 -11.889 -20.635 1.00 0.00 C ATOM 339 CG PRO A 26 -12.459 -11.067 -21.572 1.00 0.00 C ATOM 340 CD PRO A 26 -12.951 -11.952 -22.679 1.00 0.00 C ATOM 0 HA PRO A 26 -11.389 -14.083 -20.681 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.765 -11.556 -19.605 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.579 -11.816 -20.868 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.300 -10.617 -21.045 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.863 -10.250 -21.978 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.014 -11.801 -22.869 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -12.429 -11.750 -23.614 1.00 0.00 H new ATOM 348 N PRO A 27 -12.813 -14.231 -18.663 1.00 0.00 N ATOM 349 CA PRO A 27 -13.726 -14.599 -17.577 1.00 0.00 C ATOM 350 C PRO A 27 -14.089 -13.409 -16.696 1.00 0.00 C ATOM 351 O PRO A 27 -13.290 -12.498 -16.482 1.00 0.00 O ATOM 352 CB PRO A 27 -12.928 -15.633 -16.778 1.00 0.00 C ATOM 353 CG PRO A 27 -11.502 -15.316 -17.067 1.00 0.00 C ATOM 354 CD PRO A 27 -11.416 -14.586 -18.360 1.00 0.00 C ATOM 0 HA PRO A 27 -14.678 -14.973 -17.954 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.142 -15.560 -15.712 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.178 -16.649 -17.084 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.082 -14.710 -16.265 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.915 -16.233 -17.114 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.788 -13.699 -18.276 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.984 -15.210 -19.143 1.00 0.00 H new ATOM 362 N PRO A 28 -15.324 -13.415 -16.172 1.00 0.00 N ATOM 363 CA PRO A 28 -15.820 -12.343 -15.304 1.00 0.00 C ATOM 364 C PRO A 28 -14.782 -11.898 -14.280 1.00 0.00 C ATOM 365 O PRO A 28 -14.466 -10.715 -14.154 1.00 0.00 O ATOM 366 CB PRO A 28 -17.022 -12.981 -14.604 1.00 0.00 C ATOM 367 CG PRO A 28 -17.181 -14.310 -15.259 1.00 0.00 C ATOM 368 CD PRO A 28 -16.330 -14.469 -16.385 1.00 0.00 C ATOM 0 HA PRO A 28 -16.066 -11.443 -15.868 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.847 -13.086 -13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.918 -12.372 -14.722 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.969 -15.096 -14.534 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.218 -14.435 -15.571 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.879 -15.461 -16.417 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.868 -14.334 -17.323 1.00 0.00 H new ATOM 376 N PRO A 29 -14.236 -12.867 -13.530 1.00 0.00 N ATOM 377 CA PRO A 29 -13.223 -12.599 -12.505 1.00 0.00 C ATOM 378 C PRO A 29 -12.007 -11.872 -13.067 1.00 0.00 C ATOM 379 O PRO A 29 -11.395 -11.047 -12.388 1.00 0.00 O ATOM 380 CB PRO A 29 -12.833 -13.996 -12.017 1.00 0.00 C ATOM 381 CG PRO A 29 -13.343 -14.920 -13.069 1.00 0.00 C ATOM 382 CD PRO A 29 -14.564 -14.299 -13.627 1.00 0.00 C ATOM 0 HA PRO A 29 -13.603 -11.948 -11.717 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.753 -14.087 -11.899 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.279 -14.216 -11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.595 -15.070 -13.848 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.566 -15.900 -12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.748 -14.609 -14.656 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.454 -14.556 -13.052 1.00 0.00 H new ATOM 390 N CYS A 30 -11.660 -12.183 -14.312 1.00 0.00 N ATOM 391 CA CYS A 30 -10.516 -11.560 -14.966 1.00 0.00 C ATOM 392 C CYS A 30 -10.822 -10.110 -15.332 1.00 0.00 C ATOM 393 O CYS A 30 -10.056 -9.202 -15.009 1.00 0.00 O ATOM 394 CB CYS A 30 -10.131 -12.344 -16.222 1.00 0.00 C ATOM 395 SG CYS A 30 -8.903 -11.506 -17.274 1.00 0.00 S ATOM 0 H CYS A 30 -12.156 -12.863 -14.888 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.679 -11.571 -14.268 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.736 -13.315 -15.924 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.030 -12.532 -16.810 1.00 0.00 H new ATOM 400 N CYS A 31 -11.947 -9.901 -16.008 1.00 0.00 N ATOM 401 CA CYS A 31 -12.356 -8.563 -16.418 1.00 0.00 C ATOM 402 C CYS A 31 -12.420 -7.622 -15.219 1.00 0.00 C ATOM 403 O CYS A 31 -11.975 -6.477 -15.291 1.00 0.00 O ATOM 404 CB CYS A 31 -13.718 -8.614 -17.114 1.00 0.00 C ATOM 405 SG CYS A 31 -13.623 -8.843 -18.919 1.00 0.00 S ATOM 0 H CYS A 31 -12.592 -10.642 -16.283 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.612 -8.181 -17.117 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.303 -9.428 -16.686 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.256 -7.690 -16.904 1.00 0.00 H new ATOM 410 N ALA A 32 -12.976 -8.114 -14.117 1.00 0.00 N ATOM 411 CA ALA A 32 -13.097 -7.318 -12.902 1.00 0.00 C ATOM 412 C ALA A 32 -11.755 -6.706 -12.511 1.00 0.00 C ATOM 413 O ALA A 32 -11.681 -5.537 -12.138 1.00 0.00 O ATOM 414 CB ALA A 32 -13.641 -8.170 -11.765 1.00 0.00 C ATOM 0 H ALA A 32 -13.350 -9.060 -14.041 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.795 -6.504 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.726 -7.563 -10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.624 -8.555 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.963 -9.003 -11.578 1.00 0.00 H new ATOM 420 N GLY A 33 -10.697 -7.506 -12.599 1.00 0.00 N ATOM 421 CA GLY A 33 -9.373 -7.025 -12.251 1.00 0.00 C ATOM 422 C GLY A 33 -9.033 -5.715 -12.933 1.00 0.00 C ATOM 423 O GLY A 33 -8.520 -4.792 -12.301 1.00 0.00 O ATOM 0 H GLY A 33 -10.733 -8.478 -12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.310 -6.895 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.633 -7.777 -12.526 1.00 0.00 H new ATOM 427 N VAL A 34 -9.318 -5.634 -14.229 1.00 0.00 N ATOM 428 CA VAL A 34 -9.039 -4.427 -14.999 1.00 0.00 C ATOM 429 C VAL A 34 -9.618 -3.194 -14.315 1.00 0.00 C ATOM 430 O VAL A 34 -8.942 -2.173 -14.175 1.00 0.00 O ATOM 431 CB VAL A 34 -9.613 -4.527 -16.425 1.00 0.00 C ATOM 432 CG1 VAL A 34 -9.498 -3.189 -17.141 1.00 0.00 C ATOM 433 CG2 VAL A 34 -8.905 -5.622 -17.208 1.00 0.00 C ATOM 0 H VAL A 34 -9.742 -6.389 -14.768 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.955 -4.331 -15.058 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.669 -4.786 -16.356 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.908 -3.278 -18.147 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.054 -2.432 -16.588 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.449 -2.898 -17.201 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.323 -5.679 -18.213 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.841 -5.395 -17.270 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.043 -6.578 -16.703 1.00 0.00 H new ATOM 443 N LYS A 35 -10.872 -3.293 -13.890 1.00 0.00 N ATOM 444 CA LYS A 35 -11.543 -2.186 -13.218 1.00 0.00 C ATOM 445 C LYS A 35 -10.989 -1.988 -11.811 1.00 0.00 C ATOM 446 O LYS A 35 -11.117 -0.910 -11.228 1.00 0.00 O ATOM 447 CB LYS A 35 -13.051 -2.441 -13.153 1.00 0.00 C ATOM 448 CG LYS A 35 -13.751 -2.293 -14.493 1.00 0.00 C ATOM 449 CD LYS A 35 -13.813 -3.615 -15.239 1.00 0.00 C ATOM 450 CE LYS A 35 -14.787 -4.581 -14.582 1.00 0.00 C ATOM 451 NZ LYS A 35 -16.163 -4.444 -15.136 1.00 0.00 N ATOM 0 H LYS A 35 -11.446 -4.129 -13.999 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.359 -1.279 -13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.225 -3.447 -12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.498 -1.748 -12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.761 -1.915 -14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.225 -1.556 -15.100 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.115 -3.438 -16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.820 -4.063 -15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.438 -5.603 -14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.809 -4.400 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.797 -5.119 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.507 -3.476 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.147 -4.641 -16.157 1.00 0.00 H new ATOM 465 N LYS A 36 -10.373 -3.033 -11.270 1.00 0.00 N ATOM 466 CA LYS A 36 -9.796 -2.973 -9.932 1.00 0.00 C ATOM 467 C LYS A 36 -8.644 -1.975 -9.880 1.00 0.00 C ATOM 468 O LYS A 36 -8.258 -1.512 -8.806 1.00 0.00 O ATOM 469 CB LYS A 36 -9.306 -4.358 -9.503 1.00 0.00 C ATOM 470 CG LYS A 36 -9.393 -4.598 -8.006 1.00 0.00 C ATOM 471 CD LYS A 36 -8.797 -5.941 -7.621 1.00 0.00 C ATOM 472 CE LYS A 36 -8.640 -6.070 -6.113 1.00 0.00 C ATOM 473 NZ LYS A 36 -7.485 -5.279 -5.606 1.00 0.00 N ATOM 0 H LYS A 36 -10.260 -3.932 -11.738 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.572 -2.640 -9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.893 -5.118 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.272 -4.483 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.869 -3.802 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.435 -4.558 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.435 -6.743 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.825 -6.060 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.554 -5.734 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.505 -7.119 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.360 -5.460 -4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.623 -5.558 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.665 -4.266 -5.758 1.00 0.00 H new ATOM 487 N LEU A 37 -8.098 -1.648 -11.046 1.00 0.00 N ATOM 488 CA LEU A 37 -6.990 -0.703 -11.133 1.00 0.00 C ATOM 489 C LEU A 37 -7.299 0.572 -10.356 1.00 0.00 C ATOM 490 O LEU A 37 -6.400 1.209 -9.805 1.00 0.00 O ATOM 491 CB LEU A 37 -6.696 -0.365 -12.596 1.00 0.00 C ATOM 492 CG LEU A 37 -6.108 -1.495 -13.442 1.00 0.00 C ATOM 493 CD1 LEU A 37 -6.150 -1.133 -14.918 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.683 -1.801 -13.005 1.00 0.00 C ATOM 0 H LEU A 37 -8.404 -2.023 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.110 -1.171 -10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.622 -0.032 -13.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.005 0.478 -12.621 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.712 -2.389 -13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.728 -1.949 -15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.183 -0.964 -15.222 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.569 -0.226 -15.087 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.280 -2.608 -13.617 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.066 -0.910 -13.126 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.681 -2.105 -11.958 1.00 0.00 H new ATOM 506 N LEU A 38 -8.575 0.939 -10.315 1.00 0.00 N ATOM 507 CA LEU A 38 -9.004 2.138 -9.603 1.00 0.00 C ATOM 508 C LEU A 38 -8.580 2.083 -8.139 1.00 0.00 C ATOM 509 O LEU A 38 -7.947 3.008 -7.631 1.00 0.00 O ATOM 510 CB LEU A 38 -10.522 2.297 -9.701 1.00 0.00 C ATOM 511 CG LEU A 38 -11.097 2.396 -11.114 1.00 0.00 C ATOM 512 CD1 LEU A 38 -12.556 1.966 -11.128 1.00 0.00 C ATOM 513 CD2 LEU A 38 -10.952 3.812 -11.652 1.00 0.00 C ATOM 0 H LEU A 38 -9.331 0.424 -10.766 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.524 2.999 -10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.989 1.450 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.810 3.192 -9.150 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.534 1.724 -11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.948 2.043 -12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.634 0.934 -10.786 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.132 2.612 -10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.367 3.863 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.488 4.504 -11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.897 4.084 -11.680 1.00 0.00 H new ATOM 525 N ALA A 39 -8.932 0.992 -7.467 1.00 0.00 N ATOM 526 CA ALA A 39 -8.584 0.814 -6.063 1.00 0.00 C ATOM 527 C ALA A 39 -7.188 0.218 -5.914 1.00 0.00 C ATOM 528 O ALA A 39 -6.690 0.051 -4.801 1.00 0.00 O ATOM 529 CB ALA A 39 -9.613 -0.068 -5.372 1.00 0.00 C ATOM 0 H ALA A 39 -9.458 0.218 -7.873 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.584 1.795 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.340 -0.192 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.596 0.399 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.641 -1.043 -5.858 1.00 0.00 H new ATOM 535 N ALA A 40 -6.563 -0.102 -7.042 1.00 0.00 N ATOM 536 CA ALA A 40 -5.224 -0.678 -7.037 1.00 0.00 C ATOM 537 C ALA A 40 -4.201 0.315 -6.495 1.00 0.00 C ATOM 538 O ALA A 40 -3.718 0.172 -5.372 1.00 0.00 O ATOM 539 CB ALA A 40 -4.837 -1.127 -8.438 1.00 0.00 C ATOM 0 H ALA A 40 -6.963 0.028 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.232 -1.547 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.835 -1.555 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.546 -1.878 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.853 -0.271 -9.112 1.00 0.00 H new ATOM 545 N ALA A 41 -3.875 1.320 -7.301 1.00 0.00 N ATOM 546 CA ALA A 41 -2.910 2.337 -6.901 1.00 0.00 C ATOM 547 C ALA A 41 -3.534 3.335 -5.932 1.00 0.00 C ATOM 548 O ALA A 41 -4.718 3.243 -5.606 1.00 0.00 O ATOM 549 CB ALA A 41 -2.365 3.057 -8.126 1.00 0.00 C ATOM 0 H ALA A 41 -4.265 1.452 -8.234 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.086 1.840 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.646 3.814 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.874 2.338 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.185 3.535 -8.662 1.00 0.00 H new ATOM 555 N THR A 42 -2.730 4.289 -5.473 1.00 0.00 N ATOM 556 CA THR A 42 -3.203 5.303 -4.539 1.00 0.00 C ATOM 557 C THR A 42 -2.956 6.707 -5.081 1.00 0.00 C ATOM 558 O THR A 42 -3.783 7.603 -4.914 1.00 0.00 O ATOM 559 CB THR A 42 -2.518 5.167 -3.167 1.00 0.00 C ATOM 560 OG1 THR A 42 -2.783 3.873 -2.613 1.00 0.00 O ATOM 561 CG2 THR A 42 -3.006 6.243 -2.209 1.00 0.00 C ATOM 0 H THR A 42 -1.748 4.380 -5.733 1.00 0.00 H new ATOM 0 HA THR A 42 -4.275 5.146 -4.418 1.00 0.00 H new ATOM 0 HB THR A 42 -1.444 5.289 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.342 3.794 -1.741 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.508 6.126 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.777 7.227 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.083 6.148 -2.074 1.00 0.00 H new ATOM 569 N THR A 43 -1.811 6.892 -5.731 1.00 0.00 N ATOM 570 CA THR A 43 -1.454 8.187 -6.297 1.00 0.00 C ATOM 571 C THR A 43 -1.675 8.208 -7.805 1.00 0.00 C ATOM 572 O THR A 43 -2.116 7.219 -8.393 1.00 0.00 O ATOM 573 CB THR A 43 0.014 8.545 -5.999 1.00 0.00 C ATOM 574 OG1 THR A 43 0.881 7.844 -6.898 1.00 0.00 O ATOM 575 CG2 THR A 43 0.376 8.197 -4.563 1.00 0.00 C ATOM 0 H THR A 43 -1.115 6.161 -5.878 1.00 0.00 H new ATOM 0 HA THR A 43 -2.103 8.927 -5.828 1.00 0.00 H new ATOM 0 HB THR A 43 0.138 9.619 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.810 7.950 -6.605 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.418 8.459 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.266 8.754 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.236 7.128 -4.401 1.00 0.00 H new ATOM 583 N THR A 44 -1.365 9.340 -8.428 1.00 0.00 N ATOM 584 CA THR A 44 -1.530 9.490 -9.869 1.00 0.00 C ATOM 585 C THR A 44 -0.539 8.616 -10.629 1.00 0.00 C ATOM 586 O THR A 44 -0.916 7.772 -11.443 1.00 0.00 O ATOM 587 CB THR A 44 -1.345 10.955 -10.306 1.00 0.00 C ATOM 588 OG1 THR A 44 -2.598 11.647 -10.243 1.00 0.00 O ATOM 589 CG2 THR A 44 -0.788 11.032 -11.720 1.00 0.00 C ATOM 0 H THR A 44 -0.998 10.167 -7.957 1.00 0.00 H new ATOM 0 HA THR A 44 -2.546 9.174 -10.106 1.00 0.00 H new ATOM 0 HB THR A 44 -0.635 11.427 -9.627 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.472 12.578 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.666 12.077 -12.007 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.179 10.530 -11.758 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.477 10.545 -12.410 1.00 0.00 H new ATOM 597 N PRO A 45 0.759 8.820 -10.360 1.00 0.00 N ATOM 598 CA PRO A 45 1.831 8.058 -11.008 1.00 0.00 C ATOM 599 C PRO A 45 1.864 6.603 -10.554 1.00 0.00 C ATOM 600 O PRO A 45 2.383 5.735 -11.257 1.00 0.00 O ATOM 601 CB PRO A 45 3.102 8.786 -10.564 1.00 0.00 C ATOM 602 CG PRO A 45 2.733 9.442 -9.278 1.00 0.00 C ATOM 603 CD PRO A 45 1.280 9.809 -9.402 1.00 0.00 C ATOM 0 HA PRO A 45 1.704 8.015 -12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.930 8.090 -10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.418 9.519 -11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.895 8.769 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.345 10.326 -9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.767 9.748 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.153 10.828 -9.767 1.00 0.00 H new ATOM 611 N ASP A 46 1.308 6.343 -9.377 1.00 0.00 N ATOM 612 CA ASP A 46 1.273 4.991 -8.830 1.00 0.00 C ATOM 613 C ASP A 46 0.448 4.066 -9.719 1.00 0.00 C ATOM 614 O ASP A 46 0.726 2.871 -9.815 1.00 0.00 O ATOM 615 CB ASP A 46 0.695 5.006 -7.414 1.00 0.00 C ATOM 616 CG ASP A 46 1.756 5.246 -6.358 1.00 0.00 C ATOM 617 OD1 ASP A 46 2.738 5.959 -6.654 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.605 4.721 -5.235 1.00 0.00 O ATOM 0 H ASP A 46 0.875 7.050 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 46 2.295 4.614 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.066 5.783 -7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.199 4.056 -7.217 1.00 0.00 H new ATOM 623 N ARG A 47 -0.569 4.627 -10.366 1.00 0.00 N ATOM 624 CA ARG A 47 -1.435 3.852 -11.246 1.00 0.00 C ATOM 625 C ARG A 47 -0.641 3.254 -12.403 1.00 0.00 C ATOM 626 O ARG A 47 -0.909 2.134 -12.838 1.00 0.00 O ATOM 627 CB ARG A 47 -2.564 4.731 -11.789 1.00 0.00 C ATOM 628 CG ARG A 47 -3.167 5.660 -10.748 1.00 0.00 C ATOM 629 CD ARG A 47 -4.461 6.286 -11.243 1.00 0.00 C ATOM 630 NE ARG A 47 -4.216 7.424 -12.126 1.00 0.00 N ATOM 631 CZ ARG A 47 -5.118 8.366 -12.378 1.00 0.00 C ATOM 632 NH1 ARG A 47 -6.318 8.306 -11.818 1.00 0.00 N ATOM 633 NH2 ARG A 47 -4.820 9.370 -13.193 1.00 0.00 N ATOM 0 H ARG A 47 -0.813 5.615 -10.297 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.865 3.037 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.182 5.327 -12.618 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.350 4.091 -12.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.358 5.104 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.452 6.445 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.047 5.535 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.056 6.611 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.302 7.499 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.551 7.535 -11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.009 9.031 -12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.898 9.419 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.513 10.093 -13.386 1.00 0.00 H new ATOM 647 N GLN A 48 0.337 4.008 -12.895 1.00 0.00 N ATOM 648 CA GLN A 48 1.169 3.551 -14.002 1.00 0.00 C ATOM 649 C GLN A 48 1.901 2.264 -13.638 1.00 0.00 C ATOM 650 O GLN A 48 2.088 1.386 -14.479 1.00 0.00 O ATOM 651 CB GLN A 48 2.178 4.634 -14.389 1.00 0.00 C ATOM 652 CG GLN A 48 1.642 5.630 -15.405 1.00 0.00 C ATOM 653 CD GLN A 48 0.978 6.827 -14.754 1.00 0.00 C ATOM 654 OE1 GLN A 48 1.753 7.879 -14.518 1.00 0.00 O flip ATOM 655 NE2 GLN A 48 -0.219 6.807 -14.466 1.00 0.00 N flip ATOM 0 H GLN A 48 0.572 4.937 -12.545 1.00 0.00 H new ATOM 0 HA GLN A 48 0.519 3.349 -14.853 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.483 5.172 -13.491 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.071 4.159 -14.795 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.460 5.973 -16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.924 5.130 -16.055 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.778 5.977 -14.665 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.652 7.620 -14.028 1.00 0.00 H new ATOM 664 N ALA A 49 2.314 2.160 -12.379 1.00 0.00 N ATOM 665 CA ALA A 49 3.025 0.979 -11.903 1.00 0.00 C ATOM 666 C ALA A 49 2.291 -0.298 -12.296 1.00 0.00 C ATOM 667 O ALA A 49 2.913 -1.300 -12.649 1.00 0.00 O ATOM 668 CB ALA A 49 3.205 1.044 -10.394 1.00 0.00 C ATOM 0 H ALA A 49 2.169 2.879 -11.670 1.00 0.00 H new ATOM 0 HA ALA A 49 4.008 0.962 -12.374 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.737 0.156 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.779 1.933 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.228 1.089 -9.913 1.00 0.00 H new ATOM 674 N ALA A 50 0.964 -0.257 -12.231 1.00 0.00 N ATOM 675 CA ALA A 50 0.145 -1.411 -12.581 1.00 0.00 C ATOM 676 C ALA A 50 0.326 -1.788 -14.047 1.00 0.00 C ATOM 677 O ALA A 50 0.539 -2.955 -14.377 1.00 0.00 O ATOM 678 CB ALA A 50 -1.320 -1.129 -12.283 1.00 0.00 C ATOM 0 H ALA A 50 0.433 0.564 -11.939 1.00 0.00 H new ATOM 0 HA ALA A 50 0.472 -2.255 -11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.920 -1.999 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.441 -0.916 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.651 -0.269 -12.865 1.00 0.00 H new ATOM 684 N CYS A 51 0.238 -0.793 -14.924 1.00 0.00 N ATOM 685 CA CYS A 51 0.390 -1.020 -16.356 1.00 0.00 C ATOM 686 C CYS A 51 1.804 -1.490 -16.685 1.00 0.00 C ATOM 687 O CYS A 51 2.063 -1.994 -17.777 1.00 0.00 O ATOM 688 CB CYS A 51 0.073 0.260 -17.133 1.00 0.00 C ATOM 689 SG CYS A 51 0.058 0.047 -18.942 1.00 0.00 S ATOM 0 H CYS A 51 0.062 0.178 -14.668 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.312 -1.800 -16.651 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.900 0.635 -16.814 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.809 1.021 -16.874 1.00 0.00 H new ATOM 694 N ASN A 52 2.715 -1.322 -15.731 1.00 0.00 N ATOM 695 CA ASN A 52 4.103 -1.729 -15.919 1.00 0.00 C ATOM 696 C ASN A 52 4.289 -3.203 -15.573 1.00 0.00 C ATOM 697 O ASN A 52 5.097 -3.899 -16.188 1.00 0.00 O ATOM 698 CB ASN A 52 5.029 -0.870 -15.056 1.00 0.00 C ATOM 699 CG ASN A 52 5.383 0.446 -15.722 1.00 0.00 C ATOM 700 OD1 ASN A 52 5.862 0.472 -16.855 1.00 0.00 O ATOM 701 ND2 ASN A 52 5.149 1.547 -15.017 1.00 0.00 N ATOM 0 H ASN A 52 2.517 -0.907 -14.821 1.00 0.00 H new ATOM 0 HA ASN A 52 4.359 -1.586 -16.969 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.548 -0.672 -14.098 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.943 -1.425 -14.845 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.368 2.462 -15.412 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.750 1.478 -14.081 1.00 0.00 H new ATOM 708 N CYS A 53 3.535 -3.673 -14.585 1.00 0.00 N ATOM 709 CA CYS A 53 3.615 -5.064 -14.156 1.00 0.00 C ATOM 710 C CYS A 53 3.125 -6.001 -15.256 1.00 0.00 C ATOM 711 O CYS A 53 3.728 -7.045 -15.512 1.00 0.00 O ATOM 712 CB CYS A 53 2.791 -5.276 -12.885 1.00 0.00 C ATOM 713 SG CYS A 53 3.240 -4.164 -11.514 1.00 0.00 S ATOM 0 H CYS A 53 2.861 -3.110 -14.066 1.00 0.00 H new ATOM 0 HA CYS A 53 4.659 -5.294 -13.946 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.736 -5.137 -13.121 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.910 -6.308 -12.555 1.00 0.00 H new ATOM 718 N LEU A 54 2.028 -5.623 -15.903 1.00 0.00 N ATOM 719 CA LEU A 54 1.456 -6.429 -16.976 1.00 0.00 C ATOM 720 C LEU A 54 2.499 -6.727 -18.048 1.00 0.00 C ATOM 721 O LEU A 54 2.408 -7.730 -18.756 1.00 0.00 O ATOM 722 CB LEU A 54 0.259 -5.708 -17.599 1.00 0.00 C ATOM 723 CG LEU A 54 -1.090 -5.932 -16.914 1.00 0.00 C ATOM 724 CD1 LEU A 54 -1.633 -7.313 -17.243 1.00 0.00 C ATOM 725 CD2 LEU A 54 -0.959 -5.753 -15.408 1.00 0.00 C ATOM 0 H LEU A 54 1.517 -4.763 -15.703 1.00 0.00 H new ATOM 0 HA LEU A 54 1.121 -7.374 -16.549 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.468 -4.638 -17.605 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.172 -6.022 -18.639 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.794 -5.189 -17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.593 -7.454 -16.747 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.765 -7.405 -18.321 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.931 -8.072 -16.897 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.928 -5.916 -14.937 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.240 -6.473 -15.017 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.615 -4.742 -15.190 1.00 0.00 H new ATOM 737 N LYS A 55 3.491 -5.851 -18.161 1.00 0.00 N ATOM 738 CA LYS A 55 4.554 -6.021 -19.144 1.00 0.00 C ATOM 739 C LYS A 55 5.535 -7.103 -18.704 1.00 0.00 C ATOM 740 O LYS A 55 5.933 -7.954 -19.499 1.00 0.00 O ATOM 741 CB LYS A 55 5.298 -4.700 -19.356 1.00 0.00 C ATOM 742 CG LYS A 55 4.709 -3.841 -20.461 1.00 0.00 C ATOM 743 CD LYS A 55 3.240 -3.542 -20.213 1.00 0.00 C ATOM 744 CE LYS A 55 2.341 -4.580 -20.867 1.00 0.00 C ATOM 745 NZ LYS A 55 1.029 -4.002 -21.271 1.00 0.00 N ATOM 0 H LYS A 55 3.581 -5.015 -17.583 1.00 0.00 H new ATOM 0 HA LYS A 55 4.098 -6.329 -20.085 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.290 -4.134 -18.424 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.341 -4.914 -19.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.265 -2.906 -20.531 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.821 -4.351 -21.418 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.049 -3.518 -19.140 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.998 -2.553 -20.602 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.841 -4.993 -21.743 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.176 -5.406 -20.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.264 -4.648 -20.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.895 -3.083 -20.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.010 -3.871 -22.303 1.00 0.00 H new ATOM 759 N SER A 56 5.919 -7.065 -17.432 1.00 0.00 N ATOM 760 CA SER A 56 6.854 -8.042 -16.886 1.00 0.00 C ATOM 761 C SER A 56 6.324 -9.461 -17.065 1.00 0.00 C ATOM 762 O SER A 56 6.903 -10.265 -17.795 1.00 0.00 O ATOM 763 CB SER A 56 7.109 -7.763 -15.404 1.00 0.00 C ATOM 764 OG SER A 56 7.734 -8.869 -14.777 1.00 0.00 O ATOM 0 H SER A 56 5.597 -6.368 -16.760 1.00 0.00 H new ATOM 0 HA SER A 56 7.793 -7.953 -17.432 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.738 -6.879 -15.300 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.165 -7.543 -14.905 1.00 0.00 H new ATOM 0 HG SER A 56 7.888 -8.665 -13.831 1.00 0.00 H new ATOM 770 N ALA A 57 5.218 -9.761 -16.392 1.00 0.00 N ATOM 771 CA ALA A 57 4.607 -11.082 -16.477 1.00 0.00 C ATOM 772 C ALA A 57 4.352 -11.477 -17.927 1.00 0.00 C ATOM 773 O ALA A 57 4.467 -12.647 -18.291 1.00 0.00 O ATOM 774 CB ALA A 57 3.309 -11.115 -15.683 1.00 0.00 C ATOM 0 H ALA A 57 4.727 -9.107 -15.782 1.00 0.00 H new ATOM 0 HA ALA A 57 5.301 -11.804 -16.048 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.863 -12.107 -15.755 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.516 -10.885 -14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.617 -10.376 -16.087 1.00 0.00 H new ATOM 780 N ALA A 58 4.005 -10.493 -18.751 1.00 0.00 N ATOM 781 CA ALA A 58 3.735 -10.738 -20.162 1.00 0.00 C ATOM 782 C ALA A 58 4.916 -11.429 -20.835 1.00 0.00 C ATOM 783 O ALA A 58 4.739 -12.235 -21.747 1.00 0.00 O ATOM 784 CB ALA A 58 3.410 -9.432 -20.872 1.00 0.00 C ATOM 0 H ALA A 58 3.904 -9.519 -18.465 1.00 0.00 H new ATOM 0 HA ALA A 58 2.872 -11.401 -20.232 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.211 -9.630 -21.925 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.530 -8.979 -20.415 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.256 -8.750 -20.785 1.00 0.00 H new ATOM 790 N GLY A 59 6.123 -11.105 -20.380 1.00 0.00 N ATOM 791 CA GLY A 59 7.316 -11.703 -20.951 1.00 0.00 C ATOM 792 C GLY A 59 7.588 -13.090 -20.403 1.00 0.00 C ATOM 793 O GLY A 59 8.656 -13.657 -20.634 1.00 0.00 O ATOM 0 H GLY A 59 6.296 -10.439 -19.627 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.208 -11.758 -22.034 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.173 -11.061 -20.748 1.00 0.00 H new ATOM 797 N SER A 60 6.621 -13.637 -19.673 1.00 0.00 N ATOM 798 CA SER A 60 6.764 -14.964 -19.086 1.00 0.00 C ATOM 799 C SER A 60 5.537 -15.822 -19.377 1.00 0.00 C ATOM 800 O SER A 60 5.343 -16.874 -18.768 1.00 0.00 O ATOM 801 CB SER A 60 6.978 -14.856 -17.575 1.00 0.00 C ATOM 802 OG SER A 60 5.741 -14.776 -16.889 1.00 0.00 O ATOM 0 H SER A 60 5.730 -13.182 -19.474 1.00 0.00 H new ATOM 0 HA SER A 60 7.634 -15.441 -19.536 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.538 -15.721 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.579 -13.974 -17.352 1.00 0.00 H new ATOM 0 HG SER A 60 5.188 -14.074 -17.292 1.00 0.00 H new ATOM 808 N ILE A 61 4.712 -15.364 -20.312 1.00 0.00 N ATOM 809 CA ILE A 61 3.504 -16.089 -20.686 1.00 0.00 C ATOM 810 C ILE A 61 3.714 -16.884 -21.970 1.00 0.00 C ATOM 811 O ILE A 61 4.097 -16.343 -23.008 1.00 0.00 O ATOM 812 CB ILE A 61 2.310 -15.135 -20.875 1.00 0.00 C ATOM 813 CG1 ILE A 61 1.858 -14.574 -19.525 1.00 0.00 C ATOM 814 CG2 ILE A 61 1.162 -15.854 -21.568 1.00 0.00 C ATOM 815 CD1 ILE A 61 1.117 -13.260 -19.634 1.00 0.00 C ATOM 0 H ILE A 61 4.858 -14.494 -20.825 1.00 0.00 H new ATOM 0 HA ILE A 61 3.284 -16.776 -19.869 1.00 0.00 H new ATOM 0 HB ILE A 61 2.625 -14.303 -21.505 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.215 -15.305 -19.034 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.731 -14.438 -18.887 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.326 -15.167 -21.694 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.491 -16.208 -22.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.846 -16.703 -20.962 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.827 -12.922 -18.639 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.764 -12.515 -20.096 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.225 -13.395 -20.246 1.00 0.00 H new ATOM 827 N PRO A 62 3.457 -18.198 -21.902 1.00 0.00 N ATOM 828 CA PRO A 62 3.608 -19.095 -23.052 1.00 0.00 C ATOM 829 C PRO A 62 2.555 -18.845 -24.126 1.00 0.00 C ATOM 830 O PRO A 62 1.355 -18.919 -23.862 1.00 0.00 O ATOM 831 CB PRO A 62 3.429 -20.487 -22.441 1.00 0.00 C ATOM 832 CG PRO A 62 2.602 -20.263 -21.222 1.00 0.00 C ATOM 833 CD PRO A 62 2.997 -18.910 -20.698 1.00 0.00 C ATOM 0 HA PRO A 62 4.565 -18.955 -23.555 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.933 -21.164 -23.137 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.390 -20.936 -22.190 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.539 -20.294 -21.460 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.785 -21.038 -20.478 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.156 -18.401 -20.227 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.786 -18.984 -19.949 1.00 0.00 H new ATOM 841 N LYS A 63 3.012 -18.548 -25.338 1.00 0.00 N ATOM 842 CA LYS A 63 2.109 -18.288 -26.453 1.00 0.00 C ATOM 843 C LYS A 63 1.245 -17.062 -26.179 1.00 0.00 C ATOM 844 O LYS A 63 0.117 -16.964 -26.664 1.00 0.00 O ATOM 845 CB LYS A 63 1.219 -19.506 -26.710 1.00 0.00 C ATOM 846 CG LYS A 63 1.996 -20.792 -26.935 1.00 0.00 C ATOM 847 CD LYS A 63 2.245 -21.529 -25.630 1.00 0.00 C ATOM 848 CE LYS A 63 2.515 -23.007 -25.867 1.00 0.00 C ATOM 849 NZ LYS A 63 3.802 -23.228 -26.583 1.00 0.00 N ATOM 0 H LYS A 63 4.002 -18.481 -25.573 1.00 0.00 H new ATOM 0 HA LYS A 63 2.713 -18.094 -27.339 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.548 -19.641 -25.861 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.595 -19.312 -27.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.444 -21.437 -27.618 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.949 -20.564 -27.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.094 -21.081 -25.114 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.380 -21.416 -24.977 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.537 -23.530 -24.911 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.698 -23.437 -26.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.949 -24.248 -26.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.772 -22.750 -27.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.585 -22.841 -26.018 1.00 0.00 H new ATOM 863 N LEU A 64 1.781 -16.127 -25.402 1.00 0.00 N ATOM 864 CA LEU A 64 1.059 -14.905 -25.065 1.00 0.00 C ATOM 865 C LEU A 64 0.463 -14.263 -26.314 1.00 0.00 C ATOM 866 O LEU A 64 1.155 -14.063 -27.311 1.00 0.00 O ATOM 867 CB LEU A 64 1.991 -13.916 -24.365 1.00 0.00 C ATOM 868 CG LEU A 64 1.395 -12.544 -24.043 1.00 0.00 C ATOM 869 CD1 LEU A 64 0.310 -12.669 -22.985 1.00 0.00 C ATOM 870 CD2 LEU A 64 2.483 -11.584 -23.584 1.00 0.00 C ATOM 0 H LEU A 64 2.713 -16.192 -24.993 1.00 0.00 H new ATOM 0 HA LEU A 64 0.245 -15.168 -24.390 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.335 -14.368 -23.435 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.870 -13.770 -24.992 1.00 0.00 H new ATOM 0 HG LEU A 64 0.944 -12.143 -24.951 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.102 -11.684 -22.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.482 -13.321 -23.352 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.736 -13.092 -22.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.041 -10.613 -23.359 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.964 -11.980 -22.689 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.225 -11.470 -24.374 1.00 0.00 H new ATOM 882 N ASN A 65 -0.825 -13.942 -26.251 1.00 0.00 N ATOM 883 CA ASN A 65 -1.514 -13.321 -27.376 1.00 0.00 C ATOM 884 C ASN A 65 -1.838 -11.860 -27.077 1.00 0.00 C ATOM 885 O ASN A 65 -2.932 -11.537 -26.613 1.00 0.00 O ATOM 886 CB ASN A 65 -2.801 -14.084 -27.697 1.00 0.00 C ATOM 887 CG ASN A 65 -3.176 -13.993 -29.164 1.00 0.00 C ATOM 888 OD1 ASN A 65 -2.334 -13.709 -30.015 1.00 0.00 O ATOM 889 ND2 ASN A 65 -4.447 -14.233 -29.465 1.00 0.00 N ATOM 0 H ASN A 65 -1.413 -14.102 -25.433 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.851 -13.358 -28.241 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.678 -15.131 -27.420 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.616 -13.688 -27.091 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.759 -14.185 -30.435 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.111 -14.465 -28.726 1.00 0.00 H new ATOM 896 N THR A 66 -0.879 -10.980 -27.346 1.00 0.00 N ATOM 897 CA THR A 66 -1.060 -9.554 -27.106 1.00 0.00 C ATOM 898 C THR A 66 -2.347 -9.048 -27.747 1.00 0.00 C ATOM 899 O THR A 66 -2.967 -8.106 -27.256 1.00 0.00 O ATOM 900 CB THR A 66 0.127 -8.737 -27.650 1.00 0.00 C ATOM 901 OG1 THR A 66 0.487 -9.205 -28.954 1.00 0.00 O ATOM 902 CG2 THR A 66 1.326 -8.840 -26.719 1.00 0.00 C ATOM 0 H THR A 66 0.032 -11.230 -27.731 1.00 0.00 H new ATOM 0 HA THR A 66 -1.118 -9.420 -26.026 1.00 0.00 H new ATOM 0 HB THR A 66 -0.177 -7.692 -27.711 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.241 -8.679 -29.294 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.152 -8.255 -27.124 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.057 -8.456 -25.735 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.629 -9.883 -26.630 1.00 0.00 H new ATOM 910 N ASN A 67 -2.744 -9.681 -28.847 1.00 0.00 N ATOM 911 CA ASN A 67 -3.958 -9.294 -29.555 1.00 0.00 C ATOM 912 C ASN A 67 -5.187 -9.478 -28.670 1.00 0.00 C ATOM 913 O ASN A 67 -6.080 -8.632 -28.646 1.00 0.00 O ATOM 914 CB ASN A 67 -4.111 -10.117 -30.836 1.00 0.00 C ATOM 915 CG ASN A 67 -2.944 -9.929 -31.786 1.00 0.00 C ATOM 916 OD1 ASN A 67 -2.995 -9.098 -32.693 1.00 0.00 O ATOM 917 ND2 ASN A 67 -1.885 -10.704 -31.582 1.00 0.00 N ATOM 0 H ASN A 67 -2.242 -10.464 -29.267 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.875 -8.239 -29.816 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.200 -11.172 -30.578 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.035 -9.833 -31.339 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.070 -10.624 -32.190 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.887 -11.379 -30.818 1.00 0.00 H new ATOM 924 N ASN A 68 -5.224 -10.589 -27.942 1.00 0.00 N ATOM 925 CA ASN A 68 -6.342 -10.885 -27.054 1.00 0.00 C ATOM 926 C ASN A 68 -6.414 -9.875 -25.914 1.00 0.00 C ATOM 927 O ASN A 68 -7.486 -9.609 -25.372 1.00 0.00 O ATOM 928 CB ASN A 68 -6.212 -12.301 -26.489 1.00 0.00 C ATOM 929 CG ASN A 68 -6.911 -13.334 -27.351 1.00 0.00 C ATOM 930 OD1 ASN A 68 -6.856 -13.275 -28.579 1.00 0.00 O ATOM 931 ND2 ASN A 68 -7.574 -14.289 -26.708 1.00 0.00 N ATOM 0 H ASN A 68 -4.492 -11.300 -27.950 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.262 -10.816 -27.635 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.157 -12.559 -26.402 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.631 -12.328 -25.483 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.064 -15.012 -27.234 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.593 -14.299 -25.688 1.00 0.00 H new ATOM 938 N ALA A 69 -5.263 -9.314 -25.555 1.00 0.00 N ATOM 939 CA ALA A 69 -5.195 -8.331 -24.481 1.00 0.00 C ATOM 940 C ALA A 69 -6.012 -7.089 -24.821 1.00 0.00 C ATOM 941 O ALA A 69 -6.578 -6.446 -23.937 1.00 0.00 O ATOM 942 CB ALA A 69 -3.748 -7.953 -24.202 1.00 0.00 C ATOM 0 H ALA A 69 -4.366 -9.524 -25.992 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.621 -8.780 -23.584 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.712 -7.218 -23.398 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.190 -8.842 -23.906 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.303 -7.528 -25.102 1.00 0.00 H new ATOM 948 N ALA A 70 -6.068 -6.756 -26.106 1.00 0.00 N ATOM 949 CA ALA A 70 -6.816 -5.592 -26.562 1.00 0.00 C ATOM 950 C ALA A 70 -8.316 -5.868 -26.562 1.00 0.00 C ATOM 951 O ALA A 70 -9.126 -4.953 -26.421 1.00 0.00 O ATOM 952 CB ALA A 70 -6.354 -5.178 -27.952 1.00 0.00 C ATOM 0 H ALA A 70 -5.604 -7.277 -26.850 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.624 -4.774 -25.868 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.922 -4.307 -28.280 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.293 -4.930 -27.924 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.516 -6.000 -28.649 1.00 0.00 H new ATOM 958 N ALA A 71 -8.679 -7.137 -26.722 1.00 0.00 N ATOM 959 CA ALA A 71 -10.081 -7.534 -26.738 1.00 0.00 C ATOM 960 C ALA A 71 -10.602 -7.770 -25.324 1.00 0.00 C ATOM 961 O ALA A 71 -11.811 -7.856 -25.103 1.00 0.00 O ATOM 962 CB ALA A 71 -10.266 -8.784 -27.586 1.00 0.00 C ATOM 0 H ALA A 71 -8.021 -7.907 -26.842 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.658 -6.721 -27.178 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.318 -9.069 -27.589 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.942 -8.582 -28.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.671 -9.597 -27.170 1.00 0.00 H new ATOM 968 N LEU A 72 -9.683 -7.875 -24.371 1.00 0.00 N ATOM 969 CA LEU A 72 -10.050 -8.102 -22.977 1.00 0.00 C ATOM 970 C LEU A 72 -11.040 -7.047 -22.496 1.00 0.00 C ATOM 971 O LEU A 72 -12.108 -7.358 -21.968 1.00 0.00 O ATOM 972 CB LEU A 72 -8.802 -8.088 -22.092 1.00 0.00 C ATOM 973 CG LEU A 72 -8.824 -9.027 -20.886 1.00 0.00 C ATOM 974 CD1 LEU A 72 -7.415 -9.482 -20.538 1.00 0.00 C ATOM 975 CD2 LEU A 72 -9.476 -8.345 -19.692 1.00 0.00 C ATOM 0 H LEU A 72 -8.679 -7.807 -24.537 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.527 -9.080 -22.907 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.940 -8.342 -22.709 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.647 -7.071 -21.732 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.414 -9.906 -21.145 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.450 -10.150 -19.677 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.982 -10.009 -21.388 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.801 -8.614 -20.299 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.483 -9.028 -18.842 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.913 -7.449 -19.433 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.500 -8.069 -19.945 1.00 0.00 H new ATOM 987 N PRO A 73 -10.681 -5.768 -22.683 1.00 0.00 N ATOM 988 CA PRO A 73 -11.526 -4.641 -22.277 1.00 0.00 C ATOM 989 C PRO A 73 -12.779 -4.517 -23.137 1.00 0.00 C ATOM 990 O PRO A 73 -13.891 -4.418 -22.620 1.00 0.00 O ATOM 991 CB PRO A 73 -10.617 -3.426 -22.479 1.00 0.00 C ATOM 992 CG PRO A 73 -9.640 -3.852 -23.520 1.00 0.00 C ATOM 993 CD PRO A 73 -9.423 -5.325 -23.306 1.00 0.00 C ATOM 0 HA PRO A 73 -11.892 -4.752 -21.256 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.187 -2.555 -22.804 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.113 -3.150 -21.553 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.025 -3.656 -24.521 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.704 -3.302 -23.425 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.235 -5.844 -24.246 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.566 -5.515 -22.660 1.00 0.00 H new ATOM 1001 N GLY A 74 -12.592 -4.524 -24.453 1.00 0.00 N ATOM 1002 CA GLY A 74 -13.717 -4.412 -25.363 1.00 0.00 C ATOM 1003 C GLY A 74 -14.750 -5.499 -25.144 1.00 0.00 C ATOM 1004 O GLY A 74 -15.953 -5.235 -25.160 1.00 0.00 O ATOM 0 H GLY A 74 -11.681 -4.605 -24.905 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.187 -3.437 -25.236 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.356 -4.460 -26.390 1.00 0.00 H new ATOM 1008 N LYS A 75 -14.282 -6.725 -24.940 1.00 0.00 N ATOM 1009 CA LYS A 75 -15.173 -7.858 -24.717 1.00 0.00 C ATOM 1010 C LYS A 75 -16.120 -7.584 -23.553 1.00 0.00 C ATOM 1011 O LYS A 75 -17.281 -7.994 -23.574 1.00 0.00 O ATOM 1012 CB LYS A 75 -14.362 -9.125 -24.441 1.00 0.00 C ATOM 1013 CG LYS A 75 -13.885 -9.829 -25.700 1.00 0.00 C ATOM 1014 CD LYS A 75 -15.052 -10.341 -26.528 1.00 0.00 C ATOM 1015 CE LYS A 75 -14.582 -11.266 -27.641 1.00 0.00 C ATOM 1016 NZ LYS A 75 -13.924 -10.515 -28.745 1.00 0.00 N ATOM 0 H LYS A 75 -13.290 -6.960 -24.924 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.767 -8.004 -25.619 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.497 -8.867 -23.830 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.970 -9.816 -23.857 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.287 -9.141 -26.298 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.237 -10.662 -25.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.752 -10.872 -25.883 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.592 -9.498 -26.958 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.885 -11.999 -27.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.433 -11.821 -28.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.725 -11.162 -29.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.554 -9.754 -29.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.033 -10.103 -28.402 1.00 0.00 H new ATOM 1030 N CYS A 76 -15.617 -6.888 -22.539 1.00 0.00 N ATOM 1031 CA CYS A 76 -16.418 -6.558 -21.366 1.00 0.00 C ATOM 1032 C CYS A 76 -16.980 -5.143 -21.472 1.00 0.00 C ATOM 1033 O CYS A 76 -17.501 -4.596 -20.500 1.00 0.00 O ATOM 1034 CB CYS A 76 -15.577 -6.690 -20.095 1.00 0.00 C ATOM 1035 SG CYS A 76 -15.631 -8.346 -19.337 1.00 0.00 S ATOM 0 H CYS A 76 -14.658 -6.542 -22.506 1.00 0.00 H new ATOM 0 HA CYS A 76 -17.251 -7.259 -21.317 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -14.542 -6.443 -20.330 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.922 -5.957 -19.366 1.00 0.00 H new ATOM 1040 N GLY A 77 -16.870 -4.555 -22.659 1.00 0.00 N ATOM 1041 CA GLY A 77 -17.371 -3.210 -22.871 1.00 0.00 C ATOM 1042 C GLY A 77 -16.855 -2.230 -21.837 1.00 0.00 C ATOM 1043 O GLY A 77 -17.585 -1.346 -21.388 1.00 0.00 O ATOM 0 H GLY A 77 -16.442 -4.987 -23.478 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.082 -2.870 -23.865 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.461 -3.223 -22.843 1.00 0.00 H new ATOM 1047 N VAL A 78 -15.591 -2.386 -21.455 1.00 0.00 N ATOM 1048 CA VAL A 78 -14.977 -1.507 -20.466 1.00 0.00 C ATOM 1049 C VAL A 78 -13.866 -0.670 -21.090 1.00 0.00 C ATOM 1050 O VAL A 78 -13.162 -1.125 -21.991 1.00 0.00 O ATOM 1051 CB VAL A 78 -14.399 -2.310 -19.285 1.00 0.00 C ATOM 1052 CG1 VAL A 78 -15.510 -2.753 -18.346 1.00 0.00 C ATOM 1053 CG2 VAL A 78 -13.608 -3.507 -19.791 1.00 0.00 C ATOM 0 H VAL A 78 -14.972 -3.113 -21.815 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.762 -0.846 -20.097 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.720 -1.665 -18.727 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.083 -3.319 -17.518 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.029 -1.877 -17.957 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.216 -3.382 -18.889 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.207 -4.063 -18.943 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.262 -4.156 -20.373 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.787 -3.161 -20.419 1.00 0.00 H new ATOM 1063 N SER A 79 -13.714 0.558 -20.603 1.00 0.00 N ATOM 1064 CA SER A 79 -12.691 1.462 -21.115 1.00 0.00 C ATOM 1065 C SER A 79 -11.634 1.744 -20.051 1.00 0.00 C ATOM 1066 O SER A 79 -11.960 2.058 -18.906 1.00 0.00 O ATOM 1067 CB SER A 79 -13.325 2.773 -21.581 1.00 0.00 C ATOM 1068 OG SER A 79 -12.377 3.826 -21.583 1.00 0.00 O ATOM 0 H SER A 79 -14.286 0.949 -19.855 1.00 0.00 H new ATOM 0 HA SER A 79 -12.207 0.980 -21.964 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.734 2.646 -22.583 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.158 3.031 -20.927 1.00 0.00 H new ATOM 0 HG SER A 79 -12.807 4.653 -21.886 1.00 0.00 H new ATOM 1074 N ILE A 80 -10.368 1.631 -20.439 1.00 0.00 N ATOM 1075 CA ILE A 80 -9.264 1.875 -19.519 1.00 0.00 C ATOM 1076 C ILE A 80 -8.268 2.869 -20.108 1.00 0.00 C ATOM 1077 O ILE A 80 -8.208 3.082 -21.319 1.00 0.00 O ATOM 1078 CB ILE A 80 -8.524 0.570 -19.169 1.00 0.00 C ATOM 1079 CG1 ILE A 80 -8.484 -0.360 -20.383 1.00 0.00 C ATOM 1080 CG2 ILE A 80 -9.193 -0.118 -17.989 1.00 0.00 C ATOM 1081 CD1 ILE A 80 -7.832 0.260 -21.599 1.00 0.00 C ATOM 0 H ILE A 80 -10.082 1.372 -21.383 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.697 2.293 -18.610 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.499 0.814 -18.888 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.945 -1.269 -20.116 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.502 -0.655 -20.638 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.659 -1.038 -17.754 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.174 0.544 -17.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.227 -0.353 -18.243 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.839 -0.456 -22.421 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.383 1.154 -21.892 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.803 0.530 -21.362 1.00 0.00 H new ATOM 1093 N PRO A 81 -7.465 3.491 -19.232 1.00 0.00 N ATOM 1094 CA PRO A 81 -6.455 4.471 -19.642 1.00 0.00 C ATOM 1095 C PRO A 81 -5.296 3.828 -20.396 1.00 0.00 C ATOM 1096 O PRO A 81 -4.496 4.518 -21.028 1.00 0.00 O ATOM 1097 CB PRO A 81 -5.969 5.056 -18.313 1.00 0.00 C ATOM 1098 CG PRO A 81 -6.237 3.989 -17.309 1.00 0.00 C ATOM 1099 CD PRO A 81 -7.482 3.285 -17.774 1.00 0.00 C ATOM 0 HA PRO A 81 -6.863 5.214 -20.327 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.908 5.304 -18.354 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.502 5.974 -18.066 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.398 3.296 -17.243 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.378 4.415 -16.315 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.464 2.226 -17.517 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.377 3.708 -17.319 1.00 0.00 H new ATOM 1107 N TYR A 82 -5.213 2.504 -20.326 1.00 0.00 N ATOM 1108 CA TYR A 82 -4.150 1.769 -21.001 1.00 0.00 C ATOM 1109 C TYR A 82 -4.571 0.326 -21.267 1.00 0.00 C ATOM 1110 O TYR A 82 -5.259 -0.293 -20.456 1.00 0.00 O ATOM 1111 CB TYR A 82 -2.872 1.792 -20.162 1.00 0.00 C ATOM 1112 CG TYR A 82 -3.101 1.481 -18.700 1.00 0.00 C ATOM 1113 CD1 TYR A 82 -3.413 0.192 -18.284 1.00 0.00 C ATOM 1114 CD2 TYR A 82 -3.005 2.475 -17.734 1.00 0.00 C ATOM 1115 CE1 TYR A 82 -3.625 -0.096 -16.950 1.00 0.00 C ATOM 1116 CE2 TYR A 82 -3.213 2.196 -16.397 1.00 0.00 C ATOM 1117 CZ TYR A 82 -3.523 0.908 -16.010 1.00 0.00 C ATOM 1118 OH TYR A 82 -3.731 0.625 -14.680 1.00 0.00 O ATOM 0 H TYR A 82 -5.869 1.918 -19.809 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.957 2.256 -21.957 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.165 1.070 -20.572 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.409 2.775 -20.247 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.491 -0.598 -19.016 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.763 3.484 -18.034 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.869 -1.103 -16.644 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.134 2.981 -15.659 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.620 1.442 -14.150 1.00 0.00 H new ATOM 1128 N LYS A 83 -4.150 -0.204 -22.411 1.00 0.00 N ATOM 1129 CA LYS A 83 -4.479 -1.574 -22.786 1.00 0.00 C ATOM 1130 C LYS A 83 -3.495 -2.560 -22.165 1.00 0.00 C ATOM 1131 O LYS A 83 -2.533 -2.160 -21.508 1.00 0.00 O ATOM 1132 CB LYS A 83 -4.474 -1.722 -24.309 1.00 0.00 C ATOM 1133 CG LYS A 83 -5.337 -0.697 -25.023 1.00 0.00 C ATOM 1134 CD LYS A 83 -5.064 -0.683 -26.518 1.00 0.00 C ATOM 1135 CE LYS A 83 -6.274 -0.195 -27.301 1.00 0.00 C ATOM 1136 NZ LYS A 83 -6.525 1.257 -27.087 1.00 0.00 N ATOM 0 H LYS A 83 -3.580 0.295 -23.094 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.477 -1.798 -22.408 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.449 -1.637 -24.670 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.822 -2.722 -24.570 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.389 -0.920 -24.846 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.147 0.293 -24.608 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.210 -0.039 -26.727 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.795 -1.686 -26.849 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.119 -0.384 -28.363 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.154 -0.764 -27.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.357 1.550 -27.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.698 1.434 -26.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.695 1.802 -27.397 1.00 0.00 H new ATOM 1150 N ILE A 84 -3.741 -3.848 -22.378 1.00 0.00 N ATOM 1151 CA ILE A 84 -2.875 -4.890 -21.841 1.00 0.00 C ATOM 1152 C ILE A 84 -1.986 -5.481 -22.930 1.00 0.00 C ATOM 1153 O ILE A 84 -1.554 -6.630 -22.837 1.00 0.00 O ATOM 1154 CB ILE A 84 -3.691 -6.021 -21.189 1.00 0.00 C ATOM 1155 CG1 ILE A 84 -4.878 -5.443 -20.415 1.00 0.00 C ATOM 1156 CG2 ILE A 84 -2.807 -6.852 -20.271 1.00 0.00 C ATOM 1157 CD1 ILE A 84 -5.718 -6.493 -19.723 1.00 0.00 C ATOM 0 H ILE A 84 -4.533 -4.195 -22.919 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.251 -4.420 -21.081 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.076 -6.670 -21.975 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.507 -4.738 -19.671 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.509 -4.879 -21.102 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.399 -7.647 -19.818 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.993 -7.290 -20.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.395 -6.215 -19.488 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.541 -6.011 -19.195 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.119 -7.185 -20.464 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.101 -7.041 -19.011 1.00 0.00 H new ATOM 1169 N SER A 85 -1.717 -4.688 -23.962 1.00 0.00 N ATOM 1170 CA SER A 85 -0.881 -5.134 -25.071 1.00 0.00 C ATOM 1171 C SER A 85 0.542 -4.604 -24.926 1.00 0.00 C ATOM 1172 O SER A 85 0.762 -3.517 -24.388 1.00 0.00 O ATOM 1173 CB SER A 85 -1.476 -4.673 -26.403 1.00 0.00 C ATOM 1174 OG SER A 85 -2.455 -5.586 -26.867 1.00 0.00 O ATOM 0 H SER A 85 -2.066 -3.734 -24.054 1.00 0.00 H new ATOM 0 HA SER A 85 -0.848 -6.223 -25.054 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.922 -3.686 -26.283 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.683 -4.576 -27.145 1.00 0.00 H new ATOM 0 HG SER A 85 -2.104 -6.499 -26.808 1.00 0.00 H new ATOM 1180 N THR A 86 1.508 -5.379 -25.409 1.00 0.00 N ATOM 1181 CA THR A 86 2.911 -4.990 -25.332 1.00 0.00 C ATOM 1182 C THR A 86 3.216 -3.843 -26.289 1.00 0.00 C ATOM 1183 O THR A 86 4.136 -3.059 -26.060 1.00 0.00 O ATOM 1184 CB THR A 86 3.841 -6.175 -25.656 1.00 0.00 C ATOM 1185 OG1 THR A 86 3.560 -6.674 -26.968 1.00 0.00 O ATOM 1186 CG2 THR A 86 3.670 -7.290 -24.636 1.00 0.00 C ATOM 0 H THR A 86 1.344 -6.280 -25.858 1.00 0.00 H new ATOM 0 HA THR A 86 3.093 -4.664 -24.308 1.00 0.00 H new ATOM 0 HB THR A 86 4.871 -5.822 -25.616 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.156 -7.426 -27.167 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.336 -8.116 -24.885 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.913 -6.914 -23.642 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.638 -7.640 -24.649 1.00 0.00 H new ATOM 1194 N SER A 87 2.437 -3.751 -27.363 1.00 0.00 N ATOM 1195 CA SER A 87 2.627 -2.701 -28.357 1.00 0.00 C ATOM 1196 C SER A 87 1.905 -1.423 -27.941 1.00 0.00 C ATOM 1197 O SER A 87 1.930 -0.421 -28.656 1.00 0.00 O ATOM 1198 CB SER A 87 2.119 -3.166 -29.723 1.00 0.00 C ATOM 1199 OG SER A 87 0.703 -3.146 -29.774 1.00 0.00 O ATOM 0 H SER A 87 1.669 -4.391 -27.567 1.00 0.00 H new ATOM 0 HA SER A 87 3.694 -2.489 -28.427 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.523 -2.522 -30.504 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.479 -4.175 -29.924 1.00 0.00 H new ATOM 0 HG SER A 87 0.403 -3.446 -30.658 1.00 0.00 H new ATOM 1205 N THR A 88 1.262 -1.465 -26.778 1.00 0.00 N ATOM 1206 CA THR A 88 0.532 -0.313 -26.266 1.00 0.00 C ATOM 1207 C THR A 88 1.483 0.821 -25.899 1.00 0.00 C ATOM 1208 O THR A 88 2.608 0.583 -25.464 1.00 0.00 O ATOM 1209 CB THR A 88 -0.308 -0.684 -25.029 1.00 0.00 C ATOM 1210 OG1 THR A 88 -1.247 -1.711 -25.366 1.00 0.00 O ATOM 1211 CG2 THR A 88 -1.049 0.532 -24.494 1.00 0.00 C ATOM 0 H THR A 88 1.232 -2.286 -26.173 1.00 0.00 H new ATOM 0 HA THR A 88 -0.135 0.018 -27.062 1.00 0.00 H new ATOM 0 HB THR A 88 0.366 -1.048 -24.254 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.843 -1.390 -26.074 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.635 0.246 -23.621 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.330 1.301 -24.212 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.713 0.922 -25.265 1.00 0.00 H new ATOM 1219 N ASN A 89 1.021 2.055 -26.077 1.00 0.00 N ATOM 1220 CA ASN A 89 1.831 3.226 -25.763 1.00 0.00 C ATOM 1221 C ASN A 89 1.581 3.695 -24.333 1.00 0.00 C ATOM 1222 O ASN A 89 1.507 4.894 -24.065 1.00 0.00 O ATOM 1223 CB ASN A 89 1.526 4.360 -26.744 1.00 0.00 C ATOM 1224 CG ASN A 89 2.724 5.261 -26.978 1.00 0.00 C ATOM 1225 OD1 ASN A 89 2.625 6.484 -26.875 1.00 0.00 O ATOM 1226 ND2 ASN A 89 3.864 4.658 -27.294 1.00 0.00 N ATOM 0 H ASN A 89 0.091 2.269 -26.437 1.00 0.00 H new ATOM 0 HA ASN A 89 2.880 2.946 -25.855 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.202 3.937 -27.695 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.697 4.955 -26.361 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.704 5.211 -27.462 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.900 3.641 -27.368 1.00 0.00 H new ATOM 1233 N CYS A 90 1.451 2.740 -23.418 1.00 0.00 N ATOM 1234 CA CYS A 90 1.208 3.053 -22.015 1.00 0.00 C ATOM 1235 C CYS A 90 2.452 3.657 -21.370 1.00 0.00 C ATOM 1236 O CYS A 90 2.363 4.363 -20.367 1.00 0.00 O ATOM 1237 CB CYS A 90 0.787 1.793 -21.255 1.00 0.00 C ATOM 1238 SG CYS A 90 0.479 2.064 -19.480 1.00 0.00 S ATOM 0 H CYS A 90 1.510 1.743 -23.623 1.00 0.00 H new ATOM 0 HA CYS A 90 0.402 3.785 -21.966 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.117 1.391 -21.712 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.564 1.037 -21.367 1.00 0.00 H new ATOM 1243 N ASN A 91 3.612 3.373 -21.954 1.00 0.00 N ATOM 1244 CA ASN A 91 4.875 3.888 -21.436 1.00 0.00 C ATOM 1245 C ASN A 91 4.934 5.407 -21.559 1.00 0.00 C ATOM 1246 O ASN A 91 5.752 6.063 -20.912 1.00 0.00 O ATOM 1247 CB ASN A 91 6.051 3.258 -22.184 1.00 0.00 C ATOM 1248 CG ASN A 91 6.276 3.889 -23.545 1.00 0.00 C ATOM 1249 OD1 ASN A 91 5.495 3.682 -24.474 1.00 0.00 O ATOM 1250 ND2 ASN A 91 7.348 4.663 -23.668 1.00 0.00 N ATOM 0 H ASN A 91 3.704 2.790 -22.786 1.00 0.00 H new ATOM 0 HA ASN A 91 4.941 3.624 -20.380 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.956 3.361 -21.585 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.870 2.190 -22.307 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.552 5.114 -24.560 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.968 4.806 -22.871 1.00 0.00 H new ATOM 1257 N THR A 92 4.061 5.963 -22.394 1.00 0.00 N ATOM 1258 CA THR A 92 4.014 7.404 -22.602 1.00 0.00 C ATOM 1259 C THR A 92 2.960 8.054 -21.713 1.00 0.00 C ATOM 1260 O THR A 92 3.026 9.250 -21.428 1.00 0.00 O ATOM 1261 CB THR A 92 3.712 7.749 -24.073 1.00 0.00 C ATOM 1262 OG1 THR A 92 2.396 7.304 -24.420 1.00 0.00 O ATOM 1263 CG2 THR A 92 4.732 7.106 -25.000 1.00 0.00 C ATOM 0 H THR A 92 3.377 5.436 -22.937 1.00 0.00 H new ATOM 0 HA THR A 92 4.997 7.794 -22.339 1.00 0.00 H new ATOM 0 HB THR A 92 3.771 8.831 -24.189 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.311 7.264 -25.395 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.498 7.364 -26.033 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.729 7.470 -24.752 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.701 6.023 -24.880 1.00 0.00 H new ATOM 1271 N VAL A 93 1.989 7.259 -21.276 1.00 0.00 N ATOM 1272 CA VAL A 93 0.922 7.757 -20.416 1.00 0.00 C ATOM 1273 C VAL A 93 1.488 8.433 -19.172 1.00 0.00 C ATOM 1274 O VAL A 93 1.894 7.765 -18.221 1.00 0.00 O ATOM 1275 CB VAL A 93 -0.027 6.623 -19.985 1.00 0.00 C ATOM 1276 CG1 VAL A 93 -1.073 7.143 -19.010 1.00 0.00 C ATOM 1277 CG2 VAL A 93 -0.687 5.989 -21.200 1.00 0.00 C ATOM 0 H VAL A 93 1.919 6.267 -21.503 1.00 0.00 H new ATOM 0 HA VAL A 93 0.361 8.488 -20.999 1.00 0.00 H new ATOM 0 HB VAL A 93 0.559 5.856 -19.477 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.734 6.328 -18.717 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.578 7.545 -18.126 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.657 7.930 -19.488 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.354 5.190 -20.876 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.260 6.744 -21.738 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.079 5.578 -21.857 1.00 0.00 H new ATOM 1287 N ARG A 94 1.511 9.761 -19.186 1.00 0.00 N ATOM 1288 CA ARG A 94 2.028 10.528 -18.059 1.00 0.00 C ATOM 1289 C ARG A 94 0.922 10.826 -17.051 1.00 0.00 C ATOM 1290 O ARG A 94 -0.181 11.225 -17.424 1.00 0.00 O ATOM 1291 CB ARG A 94 2.652 11.836 -18.548 1.00 0.00 C ATOM 1292 CG ARG A 94 4.098 11.691 -18.996 1.00 0.00 C ATOM 1293 CD ARG A 94 5.038 12.497 -18.113 1.00 0.00 C ATOM 1294 NE ARG A 94 5.159 11.924 -16.776 1.00 0.00 N ATOM 1295 CZ ARG A 94 6.086 12.292 -15.899 1.00 0.00 C ATOM 1296 NH1 ARG A 94 6.969 13.229 -16.218 1.00 0.00 N ATOM 1297 NH2 ARG A 94 6.132 11.724 -14.701 1.00 0.00 N ATOM 0 H ARG A 94 1.178 10.329 -19.965 1.00 0.00 H new ATOM 0 HA ARG A 94 2.794 9.930 -17.566 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.060 12.223 -19.378 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.601 12.575 -17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.384 10.640 -18.970 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.195 12.022 -20.030 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.023 12.542 -18.578 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.674 13.522 -18.037 1.00 0.00 H new ATOM 0 HE ARG A 94 4.495 11.201 -16.500 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.937 13.668 -17.138 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.680 13.510 -15.543 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.455 11.003 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.845 12.008 -14.029 1.00 0.00 H new ATOM 1311 N PHE A 95 1.226 10.628 -15.772 1.00 0.00 N ATOM 1312 CA PHE A 95 0.257 10.874 -14.710 1.00 0.00 C ATOM 1313 C PHE A 95 -1.075 10.198 -15.021 1.00 0.00 C ATOM 1314 O PHE A 95 -2.092 10.575 -14.442 1.00 0.00 O ATOM 1315 CB PHE A 95 0.047 12.378 -14.520 1.00 0.00 C ATOM 1316 CG PHE A 95 1.018 13.002 -13.560 1.00 0.00 C ATOM 1317 CD1 PHE A 95 2.349 12.618 -13.553 1.00 0.00 C ATOM 1318 CD2 PHE A 95 0.600 13.973 -12.664 1.00 0.00 C ATOM 1319 CE1 PHE A 95 3.246 13.192 -12.671 1.00 0.00 C ATOM 1320 CE2 PHE A 95 1.492 14.550 -11.780 1.00 0.00 C ATOM 1321 CZ PHE A 95 2.817 14.158 -11.782 1.00 0.00 C ATOM 0 H PHE A 95 2.135 10.298 -15.446 1.00 0.00 H new ATOM 0 HA PHE A 95 0.652 10.450 -13.787 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.135 12.874 -15.487 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.968 12.553 -14.163 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.690 11.862 -14.244 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.435 14.282 -12.656 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.281 12.885 -12.677 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.154 15.307 -11.088 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.515 14.606 -11.090 1.00 0.00 H new TER 1331 PHE A 95