USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 29 HIS : no HE2:sc= 0.649 K(o=0.52,f=-6.6!) USER MOD Set 1.2: A 61 THR OG1 : rot 72:sc= -0.13 USER MOD Set 2.1: A 34 TYR OH : rot -136:sc= 1.22 USER MOD Set 2.2: A 36 SER OG : rot 28:sc= 1.9 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.5 USER MOD Set 3.2: A 17 SER OG : rot -90:sc= 0.674 USER MOD Single : A 13 MET CE :methyl -167:sc= -0.0749 (180deg=-0.651) USER MOD Single : A 14 THR OG1 : rot -34:sc= 0.901 USER MOD Single : A 18 CYS SG : rot -108:sc= -0.038 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0566 F(o=-0.9,f=-0.057) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 34:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 18:sc= -0.303 USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.837 USER MOD Single : A 42 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 0.742 (180deg=0.215) USER MOD Single : A 45 HIS : no HE2:sc= -0.287 K(o=-0.29,f=-7.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 28:sc= 0.773 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.572 2.977 -11.162 1.00 1.52 N ATOM 40 CA GLY A 4 3.212 2.812 -11.642 1.00 2.20 C ATOM 41 C GLY A 4 2.473 1.603 -11.084 1.00 2.10 C ATOM 42 O GLY A 4 1.249 1.583 -11.160 1.00 2.88 O ATOM 0 HA2 GLY A 4 2.645 3.710 -11.397 1.00 2.20 H new ATOM 0 HA3 GLY A 4 3.233 2.736 -12.729 1.00 2.20 H new ATOM 46 N VAL A 5 3.156 0.586 -10.550 1.00 1.45 N ATOM 47 CA VAL A 5 2.493 -0.557 -9.927 1.00 1.38 C ATOM 48 C VAL A 5 3.424 -1.253 -8.925 1.00 1.35 C ATOM 49 O VAL A 5 4.289 -2.047 -9.289 1.00 1.97 O ATOM 50 CB VAL A 5 1.825 -1.473 -10.978 1.00 1.53 C ATOM 51 CG1 VAL A 5 2.547 -1.462 -12.324 1.00 1.92 C ATOM 52 CG2 VAL A 5 1.655 -2.921 -10.499 1.00 2.30 C ATOM 0 H VAL A 5 4.175 0.534 -10.538 1.00 1.45 H new ATOM 0 HA VAL A 5 1.656 -0.206 -9.323 1.00 1.38 H new ATOM 0 HB VAL A 5 0.833 -1.043 -11.116 1.00 1.53 H new ATOM 0 HG11 VAL A 5 2.031 -2.124 -13.019 1.00 1.92 H new ATOM 0 HG12 VAL A 5 2.554 -0.448 -12.725 1.00 1.92 H new ATOM 0 HG13 VAL A 5 3.573 -1.806 -12.190 1.00 1.92 H new ATOM 0 HG21 VAL A 5 1.180 -3.510 -11.283 1.00 2.30 H new ATOM 0 HG22 VAL A 5 2.632 -3.345 -10.268 1.00 2.30 H new ATOM 0 HG23 VAL A 5 1.031 -2.938 -9.605 1.00 2.30 H new ATOM 62 N LEU A 6 3.218 -0.948 -7.643 1.00 0.82 N ATOM 63 CA LEU A 6 3.876 -1.539 -6.491 1.00 0.78 C ATOM 64 C LEU A 6 2.886 -2.493 -5.846 1.00 0.69 C ATOM 65 O LEU A 6 1.988 -2.039 -5.138 1.00 0.77 O ATOM 66 CB LEU A 6 4.268 -0.397 -5.548 1.00 0.91 C ATOM 67 CG LEU A 6 5.142 -0.718 -4.319 1.00 1.14 C ATOM 68 CD1 LEU A 6 4.507 -1.702 -3.333 1.00 2.62 C ATOM 69 CD2 LEU A 6 6.545 -1.175 -4.717 1.00 2.55 C ATOM 0 H LEU A 6 2.542 -0.234 -7.371 1.00 0.82 H new ATOM 0 HA LEU A 6 4.776 -2.095 -6.753 1.00 0.78 H new ATOM 0 HB2 LEU A 6 4.792 0.354 -6.139 1.00 0.91 H new ATOM 0 HB3 LEU A 6 3.349 0.065 -5.188 1.00 0.91 H new ATOM 0 HG LEU A 6 5.224 0.229 -3.785 1.00 1.14 H new ATOM 0 HD11 LEU A 6 5.188 -1.872 -2.499 1.00 2.62 H new ATOM 0 HD12 LEU A 6 3.571 -1.288 -2.958 1.00 2.62 H new ATOM 0 HD13 LEU A 6 4.310 -2.647 -3.839 1.00 2.62 H new ATOM 0 HD21 LEU A 6 7.126 -1.390 -3.820 1.00 2.55 H new ATOM 0 HD22 LEU A 6 6.475 -2.075 -5.328 1.00 2.55 H new ATOM 0 HD23 LEU A 6 7.037 -0.386 -5.287 1.00 2.55 H new ATOM 81 N GLU A 7 3.045 -3.798 -6.093 1.00 0.74 N ATOM 82 CA GLU A 7 2.263 -4.825 -5.422 1.00 0.74 C ATOM 83 C GLU A 7 3.067 -5.379 -4.267 1.00 0.77 C ATOM 84 O GLU A 7 4.027 -6.127 -4.474 1.00 1.09 O ATOM 85 CB GLU A 7 1.783 -5.937 -6.352 1.00 0.96 C ATOM 86 CG GLU A 7 1.257 -5.263 -7.610 1.00 1.12 C ATOM 87 CD GLU A 7 0.345 -6.133 -8.455 1.00 1.29 C ATOM 88 OE1 GLU A 7 -0.246 -7.080 -7.895 1.00 2.02 O ATOM 89 OE2 GLU A 7 0.171 -5.779 -9.644 1.00 2.44 O ATOM 0 H GLU A 7 3.720 -4.165 -6.764 1.00 0.74 H new ATOM 0 HA GLU A 7 1.351 -4.356 -5.052 1.00 0.74 H new ATOM 0 HB2 GLU A 7 2.599 -6.619 -6.591 1.00 0.96 H new ATOM 0 HB3 GLU A 7 1.002 -6.529 -5.875 1.00 0.96 H new ATOM 0 HG2 GLU A 7 0.716 -4.361 -7.325 1.00 1.12 H new ATOM 0 HG3 GLU A 7 2.104 -4.947 -8.219 1.00 1.12 H new ATOM 96 N LEU A 8 2.655 -5.012 -3.059 1.00 0.56 N ATOM 97 CA LEU A 8 3.123 -5.672 -1.861 1.00 0.66 C ATOM 98 C LEU A 8 2.067 -6.667 -1.400 1.00 0.63 C ATOM 99 O LEU A 8 0.880 -6.442 -1.632 1.00 0.73 O ATOM 100 CB LEU A 8 3.571 -4.648 -0.806 1.00 0.84 C ATOM 101 CG LEU A 8 2.585 -3.519 -0.456 1.00 1.05 C ATOM 102 CD1 LEU A 8 1.486 -3.992 0.501 1.00 2.33 C ATOM 103 CD2 LEU A 8 3.349 -2.378 0.223 1.00 1.61 C ATOM 0 H LEU A 8 1.993 -4.255 -2.890 1.00 0.56 H new ATOM 0 HA LEU A 8 4.023 -6.254 -2.060 1.00 0.66 H new ATOM 0 HB2 LEU A 8 3.804 -5.189 0.111 1.00 0.84 H new ATOM 0 HB3 LEU A 8 4.498 -4.191 -1.152 1.00 0.84 H new ATOM 0 HG LEU A 8 2.119 -3.190 -1.385 1.00 1.05 H new ATOM 0 HD11 LEU A 8 0.813 -3.163 0.721 1.00 2.33 H new ATOM 0 HD12 LEU A 8 0.924 -4.803 0.037 1.00 2.33 H new ATOM 0 HD13 LEU A 8 1.938 -4.347 1.427 1.00 2.33 H new ATOM 0 HD21 LEU A 8 2.656 -1.575 0.474 1.00 1.61 H new ATOM 0 HD22 LEU A 8 3.821 -2.747 1.133 1.00 1.61 H new ATOM 0 HD23 LEU A 8 4.114 -1.999 -0.454 1.00 1.61 H new ATOM 115 N VAL A 9 2.497 -7.770 -0.785 1.00 0.60 N ATOM 116 CA VAL A 9 1.664 -8.562 0.098 1.00 0.54 C ATOM 117 C VAL A 9 1.643 -7.825 1.438 1.00 0.50 C ATOM 118 O VAL A 9 2.637 -7.187 1.790 1.00 0.57 O ATOM 119 CB VAL A 9 2.163 -10.017 0.193 1.00 0.63 C ATOM 120 CG1 VAL A 9 3.480 -10.164 0.963 1.00 1.54 C ATOM 121 CG2 VAL A 9 1.112 -10.934 0.833 1.00 1.72 C ATOM 0 H VAL A 9 3.443 -8.135 -0.892 1.00 0.60 H new ATOM 0 HA VAL A 9 0.646 -8.659 -0.280 1.00 0.54 H new ATOM 0 HB VAL A 9 2.343 -10.319 -0.839 1.00 0.63 H new ATOM 0 HG11 VAL A 9 3.771 -11.214 0.990 1.00 1.54 H new ATOM 0 HG12 VAL A 9 4.258 -9.585 0.466 1.00 1.54 H new ATOM 0 HG13 VAL A 9 3.349 -9.798 1.981 1.00 1.54 H new ATOM 0 HG21 VAL A 9 1.499 -11.952 0.883 1.00 1.72 H new ATOM 0 HG22 VAL A 9 0.886 -10.582 1.839 1.00 1.72 H new ATOM 0 HG23 VAL A 9 0.203 -10.921 0.232 1.00 1.72 H new ATOM 131 N VAL A 10 0.517 -7.878 2.152 1.00 0.59 N ATOM 132 CA VAL A 10 0.310 -7.205 3.425 1.00 0.54 C ATOM 133 C VAL A 10 -0.405 -8.164 4.378 1.00 0.54 C ATOM 134 O VAL A 10 -1.303 -8.892 3.951 1.00 0.92 O ATOM 135 CB VAL A 10 -0.449 -5.883 3.201 1.00 0.62 C ATOM 136 CG1 VAL A 10 -1.775 -6.066 2.454 1.00 2.29 C ATOM 137 CG2 VAL A 10 -0.676 -5.134 4.519 1.00 2.25 C ATOM 0 H VAL A 10 -0.299 -8.409 1.846 1.00 0.59 H new ATOM 0 HA VAL A 10 1.260 -6.936 3.887 1.00 0.54 H new ATOM 0 HB VAL A 10 0.194 -5.279 2.561 1.00 0.62 H new ATOM 0 HG11 VAL A 10 -2.259 -5.097 2.329 1.00 2.29 H new ATOM 0 HG12 VAL A 10 -1.583 -6.505 1.475 1.00 2.29 H new ATOM 0 HG13 VAL A 10 -2.427 -6.726 3.026 1.00 2.29 H new ATOM 0 HG21 VAL A 10 -1.214 -4.207 4.322 1.00 2.25 H new ATOM 0 HG22 VAL A 10 -1.262 -5.757 5.195 1.00 2.25 H new ATOM 0 HG23 VAL A 10 0.286 -4.905 4.978 1.00 2.25 H new ATOM 147 N ARG A 11 -0.003 -8.185 5.654 1.00 0.58 N ATOM 148 CA ARG A 11 -0.569 -9.068 6.668 1.00 0.75 C ATOM 149 C ARG A 11 -0.876 -8.300 7.955 1.00 0.67 C ATOM 150 O ARG A 11 -0.251 -7.279 8.239 1.00 0.77 O ATOM 151 CB ARG A 11 0.365 -10.256 6.935 1.00 1.00 C ATOM 152 CG ARG A 11 1.763 -9.828 7.388 1.00 1.58 C ATOM 153 CD ARG A 11 2.604 -11.010 7.890 1.00 1.86 C ATOM 154 NE ARG A 11 2.121 -11.500 9.196 1.00 3.89 N ATOM 155 CZ ARG A 11 2.856 -12.115 10.143 1.00 4.89 C ATOM 156 NH1 ARG A 11 4.187 -12.180 10.050 1.00 4.45 N ATOM 157 NH2 ARG A 11 2.241 -12.682 11.187 1.00 6.85 N ATOM 0 H ARG A 11 0.735 -7.579 6.011 1.00 0.58 H new ATOM 0 HA ARG A 11 -1.512 -9.463 6.289 1.00 0.75 H new ATOM 0 HB2 ARG A 11 -0.078 -10.895 7.699 1.00 1.00 H new ATOM 0 HB3 ARG A 11 0.450 -10.855 6.028 1.00 1.00 H new ATOM 0 HG2 ARG A 11 2.279 -9.345 6.558 1.00 1.58 H new ATOM 0 HG3 ARG A 11 1.673 -9.086 8.182 1.00 1.58 H new ATOM 0 HD2 ARG A 11 2.569 -11.819 7.161 1.00 1.86 H new ATOM 0 HD3 ARG A 11 3.647 -10.705 7.977 1.00 1.86 H new ATOM 0 HE ARG A 11 1.132 -11.359 9.402 1.00 3.89 H new ATOM 0 HH11 ARG A 11 4.664 -11.760 9.252 1.00 4.45 H new ATOM 0 HH12 ARG A 11 4.727 -12.650 10.777 1.00 4.45 H new ATOM 0 HH21 ARG A 11 1.224 -12.646 11.261 1.00 6.85 H new ATOM 0 HH22 ARG A 11 2.789 -13.150 11.909 1.00 6.85 H new ATOM 171 N GLY A 12 -1.850 -8.805 8.720 1.00 0.95 N ATOM 172 CA GLY A 12 -2.378 -8.172 9.923 1.00 1.07 C ATOM 173 C GLY A 12 -3.795 -7.641 9.686 1.00 1.23 C ATOM 174 O GLY A 12 -4.549 -7.432 10.633 1.00 1.95 O ATOM 0 H GLY A 12 -2.304 -9.694 8.508 1.00 0.95 H new ATOM 0 HA2 GLY A 12 -2.387 -8.891 10.742 1.00 1.07 H new ATOM 0 HA3 GLY A 12 -1.725 -7.353 10.224 1.00 1.07 H new ATOM 178 N MET A 13 -4.165 -7.423 8.421 1.00 0.92 N ATOM 179 CA MET A 13 -5.515 -7.026 8.056 1.00 1.07 C ATOM 180 C MET A 13 -6.486 -8.168 8.355 1.00 1.26 C ATOM 181 O MET A 13 -6.102 -9.333 8.264 1.00 1.80 O ATOM 182 CB MET A 13 -5.590 -6.695 6.564 1.00 1.29 C ATOM 183 CG MET A 13 -4.448 -5.799 6.079 1.00 1.17 C ATOM 184 SD MET A 13 -4.689 -5.104 4.431 1.00 1.52 S ATOM 185 CE MET A 13 -5.221 -6.552 3.508 1.00 1.19 C ATOM 0 H MET A 13 -3.533 -7.518 7.626 1.00 0.92 H new ATOM 0 HA MET A 13 -5.783 -6.143 8.636 1.00 1.07 H new ATOM 0 HB2 MET A 13 -5.580 -7.623 5.993 1.00 1.29 H new ATOM 0 HB3 MET A 13 -6.540 -6.203 6.356 1.00 1.29 H new ATOM 0 HG2 MET A 13 -4.318 -4.982 6.789 1.00 1.17 H new ATOM 0 HG3 MET A 13 -3.523 -6.376 6.084 1.00 1.17 H new ATOM 0 HE1 MET A 13 -5.185 -6.336 2.440 1.00 1.19 H new ATOM 0 HE2 MET A 13 -4.560 -7.389 3.732 1.00 1.19 H new ATOM 0 HE3 MET A 13 -6.241 -6.810 3.792 1.00 1.19 H new ATOM 195 N THR A 14 -7.744 -7.844 8.665 1.00 1.05 N ATOM 196 CA THR A 14 -8.754 -8.869 8.910 1.00 1.25 C ATOM 197 C THR A 14 -10.176 -8.408 8.564 1.00 1.31 C ATOM 198 O THR A 14 -11.128 -9.098 8.925 1.00 2.44 O ATOM 199 CB THR A 14 -8.625 -9.369 10.363 1.00 1.50 C ATOM 200 OG1 THR A 14 -9.509 -10.442 10.613 1.00 2.33 O ATOM 201 CG2 THR A 14 -8.880 -8.258 11.388 1.00 1.40 C ATOM 0 H THR A 14 -8.083 -6.886 8.751 1.00 1.05 H new ATOM 0 HA THR A 14 -8.568 -9.704 8.234 1.00 1.25 H new ATOM 0 HB THR A 14 -7.596 -9.709 10.477 1.00 1.50 H new ATOM 0 HG1 THR A 14 -10.332 -10.315 10.096 1.00 2.33 H new ATOM 0 HG21 THR A 14 -8.777 -8.662 12.395 1.00 1.40 H new ATOM 0 HG22 THR A 14 -8.156 -7.456 11.243 1.00 1.40 H new ATOM 0 HG23 THR A 14 -9.888 -7.865 11.256 1.00 1.40 H new ATOM 209 N CYS A 15 -10.354 -7.263 7.892 1.00 0.81 N ATOM 210 CA CYS A 15 -11.679 -6.701 7.636 1.00 0.79 C ATOM 211 C CYS A 15 -11.554 -5.508 6.679 1.00 0.67 C ATOM 212 O CYS A 15 -10.517 -4.842 6.670 1.00 1.01 O ATOM 213 CB CYS A 15 -12.323 -6.300 8.977 1.00 1.14 C ATOM 214 SG CYS A 15 -13.884 -5.419 8.730 1.00 2.29 S ATOM 0 H CYS A 15 -9.587 -6.706 7.514 1.00 0.81 H new ATOM 0 HA CYS A 15 -12.323 -7.440 7.159 1.00 0.79 H new ATOM 0 HB2 CYS A 15 -12.499 -7.192 9.578 1.00 1.14 H new ATOM 0 HB3 CYS A 15 -11.633 -5.669 9.538 1.00 1.14 H new ATOM 0 HG CYS A 15 -14.391 -5.103 9.884 1.00 2.29 H new ATOM 220 N ALA A 16 -12.604 -5.241 5.890 1.00 0.58 N ATOM 221 CA ALA A 16 -12.746 -4.105 4.977 1.00 0.67 C ATOM 222 C ALA A 16 -12.275 -2.779 5.591 1.00 0.67 C ATOM 223 O ALA A 16 -11.782 -1.897 4.898 1.00 1.20 O ATOM 224 CB ALA A 16 -14.212 -3.991 4.548 1.00 0.90 C ATOM 0 H ALA A 16 -13.423 -5.849 5.873 1.00 0.58 H new ATOM 0 HA ALA A 16 -12.105 -4.293 4.116 1.00 0.67 H new ATOM 0 HB1 ALA A 16 -14.327 -3.147 3.868 1.00 0.90 H new ATOM 0 HB2 ALA A 16 -14.516 -4.908 4.044 1.00 0.90 H new ATOM 0 HB3 ALA A 16 -14.837 -3.836 5.427 1.00 0.90 H new ATOM 230 N SER A 17 -12.432 -2.635 6.903 1.00 0.48 N ATOM 231 CA SER A 17 -11.866 -1.544 7.684 1.00 0.50 C ATOM 232 C SER A 17 -10.349 -1.383 7.487 1.00 0.48 C ATOM 233 O SER A 17 -9.896 -0.381 6.950 1.00 0.72 O ATOM 234 CB SER A 17 -12.181 -1.833 9.143 1.00 0.62 C ATOM 235 OG SER A 17 -11.646 -3.106 9.476 1.00 0.70 O ATOM 0 H SER A 17 -12.971 -3.293 7.466 1.00 0.48 H new ATOM 0 HA SER A 17 -12.306 -0.604 7.351 1.00 0.50 H new ATOM 0 HB2 SER A 17 -11.751 -1.062 9.783 1.00 0.62 H new ATOM 0 HB3 SER A 17 -13.258 -1.820 9.308 1.00 0.62 H new ATOM 0 HG SER A 17 -12.319 -3.798 9.306 1.00 0.70 H new ATOM 241 N CYS A 18 -9.548 -2.351 7.946 1.00 0.44 N ATOM 242 CA CYS A 18 -8.099 -2.394 7.779 1.00 0.44 C ATOM 243 C CYS A 18 -7.770 -1.992 6.351 1.00 0.46 C ATOM 244 O CYS A 18 -6.982 -1.080 6.111 1.00 0.57 O ATOM 245 CB CYS A 18 -7.566 -3.812 8.035 1.00 0.63 C ATOM 246 SG CYS A 18 -7.726 -4.297 9.770 1.00 1.07 S ATOM 0 H CYS A 18 -9.909 -3.153 8.462 1.00 0.44 H new ATOM 0 HA CYS A 18 -7.634 -1.713 8.492 1.00 0.44 H new ATOM 0 HB2 CYS A 18 -8.108 -4.521 7.410 1.00 0.63 H new ATOM 0 HB3 CYS A 18 -6.518 -3.863 7.740 1.00 0.63 H new ATOM 0 HG CYS A 18 -6.551 -4.318 10.325 1.00 1.07 H new ATOM 252 N VAL A 19 -8.450 -2.654 5.414 1.00 0.50 N ATOM 253 CA VAL A 19 -8.329 -2.387 3.999 1.00 0.59 C ATOM 254 C VAL A 19 -8.478 -0.891 3.693 1.00 0.55 C ATOM 255 O VAL A 19 -7.520 -0.243 3.262 1.00 0.63 O ATOM 256 CB VAL A 19 -9.318 -3.279 3.234 1.00 0.68 C ATOM 257 CG1 VAL A 19 -9.643 -2.773 1.826 1.00 0.81 C ATOM 258 CG2 VAL A 19 -8.815 -4.723 3.208 1.00 0.84 C ATOM 0 H VAL A 19 -9.109 -3.402 5.631 1.00 0.50 H new ATOM 0 HA VAL A 19 -7.326 -2.642 3.656 1.00 0.59 H new ATOM 0 HB VAL A 19 -10.262 -3.238 3.778 1.00 0.68 H new ATOM 0 HG11 VAL A 19 -10.347 -3.454 1.348 1.00 0.81 H new ATOM 0 HG12 VAL A 19 -10.086 -1.779 1.890 1.00 0.81 H new ATOM 0 HG13 VAL A 19 -8.728 -2.725 1.236 1.00 0.81 H new ATOM 0 HG21 VAL A 19 -9.524 -5.346 2.663 1.00 0.84 H new ATOM 0 HG22 VAL A 19 -7.844 -4.761 2.714 1.00 0.84 H new ATOM 0 HG23 VAL A 19 -8.717 -5.093 4.229 1.00 0.84 H new ATOM 268 N HIS A 20 -9.673 -0.333 3.923 1.00 0.47 N ATOM 269 CA HIS A 20 -9.953 1.025 3.489 1.00 0.52 C ATOM 270 C HIS A 20 -9.085 2.038 4.248 1.00 0.50 C ATOM 271 O HIS A 20 -8.731 3.088 3.717 1.00 0.54 O ATOM 272 CB HIS A 20 -11.459 1.335 3.354 1.00 0.61 C ATOM 273 CG HIS A 20 -12.206 1.935 4.520 1.00 0.60 C ATOM 274 ND1 HIS A 20 -11.840 1.929 5.833 1.00 0.98 N flip ATOM 275 CD2 HIS A 20 -13.391 2.633 4.438 1.00 0.67 C flip ATOM 276 CE1 HIS A 20 -12.792 2.632 6.570 1.00 0.94 C flip ATOM 277 NE2 HIS A 20 -13.709 3.036 5.680 1.00 0.81 N flip ATOM 0 H HIS A 20 -10.445 -0.799 4.400 1.00 0.47 H new ATOM 0 HA HIS A 20 -9.634 1.133 2.452 1.00 0.52 H new ATOM 0 HB2 HIS A 20 -11.578 2.012 2.508 1.00 0.61 H new ATOM 0 HB3 HIS A 20 -11.961 0.404 3.090 1.00 0.61 H new ATOM 0 HD2 HIS A 20 -13.960 2.822 3.540 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -12.791 2.813 7.635 1.00 0.94 H new ATOM 0 HE2 HIS A 20 -14.540 3.579 5.915 1.00 0.81 H new ATOM 285 N LYS A 21 -8.709 1.701 5.487 1.00 0.48 N ATOM 286 CA LYS A 21 -7.917 2.528 6.377 1.00 0.48 C ATOM 287 C LYS A 21 -6.536 2.699 5.766 1.00 0.44 C ATOM 288 O LYS A 21 -6.070 3.828 5.616 1.00 0.42 O ATOM 289 CB LYS A 21 -7.870 1.877 7.770 1.00 0.62 C ATOM 290 CG LYS A 21 -6.963 2.611 8.767 1.00 0.59 C ATOM 291 CD LYS A 21 -7.030 1.898 10.127 1.00 1.70 C ATOM 292 CE LYS A 21 -5.937 2.353 11.107 1.00 2.16 C ATOM 293 NZ LYS A 21 -6.026 3.789 11.439 1.00 3.06 N ATOM 0 H LYS A 21 -8.963 0.806 5.905 1.00 0.48 H new ATOM 0 HA LYS A 21 -8.358 3.517 6.501 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -8.881 1.835 8.175 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -7.525 0.848 7.668 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -5.937 2.626 8.401 1.00 0.59 H new ATOM 0 HG3 LYS A 21 -7.280 3.649 8.870 1.00 0.59 H new ATOM 0 HD2 LYS A 21 -8.007 2.077 10.575 1.00 1.70 H new ATOM 0 HD3 LYS A 21 -6.943 0.823 9.970 1.00 1.70 H new ATOM 0 HE2 LYS A 21 -6.011 1.768 12.024 1.00 2.16 H new ATOM 0 HE3 LYS A 21 -4.958 2.145 10.674 1.00 2.16 H new ATOM 0 HZ1 LYS A 21 -5.265 4.040 12.103 1.00 3.06 H new ATOM 0 HZ2 LYS A 21 -5.928 4.353 10.571 1.00 3.06 H new ATOM 0 HZ3 LYS A 21 -6.948 3.987 11.878 1.00 3.06 H new ATOM 307 N ILE A 22 -5.890 1.584 5.408 1.00 0.56 N ATOM 308 CA ILE A 22 -4.644 1.634 4.658 1.00 0.59 C ATOM 309 C ILE A 22 -4.861 2.517 3.441 1.00 0.56 C ATOM 310 O ILE A 22 -4.243 3.568 3.298 1.00 0.49 O ATOM 311 CB ILE A 22 -4.201 0.225 4.218 1.00 0.64 C ATOM 312 CG1 ILE A 22 -3.865 -0.620 5.445 1.00 0.67 C ATOM 313 CG2 ILE A 22 -2.957 0.308 3.317 1.00 0.76 C ATOM 314 CD1 ILE A 22 -3.717 -2.098 5.102 1.00 0.71 C ATOM 0 H ILE A 22 -6.213 0.642 5.628 1.00 0.56 H new ATOM 0 HA ILE A 22 -3.855 2.041 5.291 1.00 0.59 H new ATOM 0 HB ILE A 22 -5.019 -0.233 3.662 1.00 0.64 H new ATOM 0 HG12 ILE A 22 -2.939 -0.258 5.891 1.00 0.67 H new ATOM 0 HG13 ILE A 22 -4.648 -0.499 6.193 1.00 0.67 H new ATOM 0 HG21 ILE A 22 -2.658 -0.696 3.016 1.00 0.76 H new ATOM 0 HG22 ILE A 22 -3.188 0.899 2.431 1.00 0.76 H new ATOM 0 HG23 ILE A 22 -2.142 0.780 3.865 1.00 0.76 H new ATOM 0 HD11 ILE A 22 -3.478 -2.659 6.005 1.00 0.71 H new ATOM 0 HD12 ILE A 22 -4.651 -2.469 4.681 1.00 0.71 H new ATOM 0 HD13 ILE A 22 -2.915 -2.224 4.374 1.00 0.71 H new ATOM 326 N GLU A 23 -5.721 2.061 2.540 1.00 0.65 N ATOM 327 CA GLU A 23 -5.673 2.530 1.174 1.00 0.93 C ATOM 328 C GLU A 23 -6.045 4.016 1.096 1.00 0.86 C ATOM 329 O GLU A 23 -5.355 4.795 0.435 1.00 1.00 O ATOM 330 CB GLU A 23 -6.486 1.551 0.327 1.00 1.43 C ATOM 331 CG GLU A 23 -7.981 1.766 0.330 1.00 1.01 C ATOM 332 CD GLU A 23 -8.698 0.540 -0.245 1.00 1.79 C ATOM 333 OE1 GLU A 23 -8.009 -0.288 -0.891 1.00 2.96 O ATOM 334 OE2 GLU A 23 -9.920 0.443 -0.010 1.00 2.55 O ATOM 0 H GLU A 23 -6.450 1.375 2.733 1.00 0.65 H new ATOM 0 HA GLU A 23 -4.669 2.525 0.751 1.00 0.93 H new ATOM 0 HB2 GLU A 23 -6.131 1.608 -0.702 1.00 1.43 H new ATOM 0 HB3 GLU A 23 -6.282 0.539 0.678 1.00 1.43 H new ATOM 0 HG2 GLU A 23 -8.326 1.953 1.347 1.00 1.01 H new ATOM 0 HG3 GLU A 23 -8.229 2.649 -0.258 1.00 1.01 H new ATOM 341 N SER A 24 -7.074 4.419 1.850 1.00 0.80 N ATOM 342 CA SER A 24 -7.469 5.812 2.001 1.00 0.99 C ATOM 343 C SER A 24 -6.315 6.634 2.588 1.00 0.91 C ATOM 344 O SER A 24 -6.004 7.717 2.084 1.00 1.17 O ATOM 345 CB SER A 24 -8.747 5.906 2.849 1.00 1.09 C ATOM 346 OG SER A 24 -9.225 7.236 2.894 1.00 1.55 O ATOM 0 H SER A 24 -7.660 3.772 2.378 1.00 0.80 H new ATOM 0 HA SER A 24 -7.695 6.236 1.023 1.00 0.99 H new ATOM 0 HB2 SER A 24 -9.514 5.253 2.432 1.00 1.09 H new ATOM 0 HB3 SER A 24 -8.544 5.554 3.860 1.00 1.09 H new ATOM 0 HG SER A 24 -10.040 7.273 3.438 1.00 1.55 H new ATOM 352 N SER A 25 -5.654 6.123 3.637 1.00 0.62 N ATOM 353 CA SER A 25 -4.532 6.821 4.248 1.00 0.59 C ATOM 354 C SER A 25 -3.430 7.035 3.211 1.00 0.53 C ATOM 355 O SER A 25 -2.953 8.150 3.026 1.00 0.74 O ATOM 356 CB SER A 25 -4.021 6.055 5.475 1.00 0.58 C ATOM 357 OG SER A 25 -3.022 6.802 6.144 1.00 0.97 O ATOM 0 H SER A 25 -5.883 5.230 4.074 1.00 0.62 H new ATOM 0 HA SER A 25 -4.863 7.800 4.596 1.00 0.59 H new ATOM 0 HB2 SER A 25 -4.848 5.852 6.155 1.00 0.58 H new ATOM 0 HB3 SER A 25 -3.617 5.090 5.167 1.00 0.58 H new ATOM 0 HG SER A 25 -2.707 6.301 6.925 1.00 0.97 H new ATOM 363 N LEU A 26 -3.046 5.980 2.493 1.00 0.43 N ATOM 364 CA LEU A 26 -1.998 6.069 1.490 1.00 0.59 C ATOM 365 C LEU A 26 -2.312 7.160 0.465 1.00 0.64 C ATOM 366 O LEU A 26 -1.449 7.980 0.168 1.00 0.72 O ATOM 367 CB LEU A 26 -1.778 4.710 0.828 1.00 0.70 C ATOM 368 CG LEU A 26 -0.779 3.822 1.586 1.00 0.65 C ATOM 369 CD1 LEU A 26 -1.024 3.654 3.088 1.00 2.04 C ATOM 370 CD2 LEU A 26 -0.816 2.447 0.925 1.00 2.49 C ATOM 0 H LEU A 26 -3.452 5.049 2.592 1.00 0.43 H new ATOM 0 HA LEU A 26 -1.067 6.352 1.982 1.00 0.59 H new ATOM 0 HB2 LEU A 26 -2.733 4.190 0.754 1.00 0.70 H new ATOM 0 HB3 LEU A 26 -1.419 4.863 -0.190 1.00 0.70 H new ATOM 0 HG LEU A 26 0.187 4.323 1.523 1.00 0.65 H new ATOM 0 HD11 LEU A 26 -0.256 3.007 3.512 1.00 2.04 H new ATOM 0 HD12 LEU A 26 -0.986 4.629 3.574 1.00 2.04 H new ATOM 0 HD13 LEU A 26 -2.005 3.206 3.249 1.00 2.04 H new ATOM 0 HD21 LEU A 26 -0.119 1.780 1.433 1.00 2.49 H new ATOM 0 HD22 LEU A 26 -1.824 2.038 0.993 1.00 2.49 H new ATOM 0 HD23 LEU A 26 -0.531 2.539 -0.123 1.00 2.49 H new ATOM 382 N THR A 27 -3.542 7.244 -0.044 1.00 0.64 N ATOM 383 CA THR A 27 -3.880 8.287 -1.011 1.00 0.76 C ATOM 384 C THR A 27 -3.733 9.723 -0.475 1.00 0.84 C ATOM 385 O THR A 27 -3.842 10.670 -1.250 1.00 1.38 O ATOM 386 CB THR A 27 -5.272 8.025 -1.596 1.00 0.90 C ATOM 387 OG1 THR A 27 -6.135 7.475 -0.622 1.00 1.32 O ATOM 388 CG2 THR A 27 -5.169 7.019 -2.747 1.00 2.27 C ATOM 0 H THR A 27 -4.308 6.614 0.192 1.00 0.64 H new ATOM 0 HA THR A 27 -3.140 8.226 -1.809 1.00 0.76 H new ATOM 0 HB THR A 27 -5.669 8.978 -1.945 1.00 0.90 H new ATOM 0 HG1 THR A 27 -5.918 7.850 0.257 1.00 1.32 H new ATOM 0 HG21 THR A 27 -6.161 6.836 -3.160 1.00 2.27 H new ATOM 0 HG22 THR A 27 -4.521 7.422 -3.525 1.00 2.27 H new ATOM 0 HG23 THR A 27 -4.752 6.083 -2.376 1.00 2.27 H new ATOM 396 N LYS A 28 -3.462 9.918 0.821 1.00 0.74 N ATOM 397 CA LYS A 28 -3.091 11.223 1.356 1.00 0.76 C ATOM 398 C LYS A 28 -1.726 11.665 0.808 1.00 0.79 C ATOM 399 O LYS A 28 -1.473 12.861 0.671 1.00 0.93 O ATOM 400 CB LYS A 28 -3.030 11.156 2.888 1.00 0.88 C ATOM 401 CG LYS A 28 -4.332 10.657 3.540 1.00 1.43 C ATOM 402 CD LYS A 28 -5.340 11.776 3.838 1.00 2.61 C ATOM 403 CE LYS A 28 -4.916 12.626 5.045 1.00 3.17 C ATOM 404 NZ LYS A 28 -5.925 13.652 5.382 1.00 4.35 N ATOM 0 H LYS A 28 -3.495 9.177 1.521 1.00 0.74 H new ATOM 0 HA LYS A 28 -3.844 11.949 1.049 1.00 0.76 H new ATOM 0 HB2 LYS A 28 -2.212 10.498 3.181 1.00 0.88 H new ATOM 0 HB3 LYS A 28 -2.797 12.147 3.277 1.00 0.88 H new ATOM 0 HG2 LYS A 28 -4.800 9.924 2.883 1.00 1.43 H new ATOM 0 HG3 LYS A 28 -4.089 10.142 4.469 1.00 1.43 H new ATOM 0 HD2 LYS A 28 -5.441 12.416 2.961 1.00 2.61 H new ATOM 0 HD3 LYS A 28 -6.320 11.339 4.028 1.00 2.61 H new ATOM 0 HE2 LYS A 28 -4.756 11.978 5.907 1.00 3.17 H new ATOM 0 HE3 LYS A 28 -3.964 13.111 4.830 1.00 3.17 H new ATOM 0 HZ1 LYS A 28 -5.599 14.203 6.202 1.00 4.35 H new ATOM 0 HZ2 LYS A 28 -6.059 14.287 4.569 1.00 4.35 H new ATOM 0 HZ3 LYS A 28 -6.827 13.189 5.612 1.00 4.35 H new ATOM 418 N HIS A 29 -0.829 10.709 0.542 1.00 0.77 N ATOM 419 CA HIS A 29 0.529 10.980 0.096 1.00 0.90 C ATOM 420 C HIS A 29 0.482 11.649 -1.282 1.00 1.02 C ATOM 421 O HIS A 29 -0.037 11.078 -2.244 1.00 2.26 O ATOM 422 CB HIS A 29 1.329 9.681 -0.008 1.00 1.00 C ATOM 423 CG HIS A 29 1.618 8.897 1.247 1.00 0.89 C ATOM 424 ND1 HIS A 29 2.774 8.189 1.451 1.00 1.87 N ATOM 425 CD2 HIS A 29 0.729 8.483 2.201 1.00 0.68 C ATOM 426 CE1 HIS A 29 2.582 7.366 2.487 1.00 1.56 C ATOM 427 NE2 HIS A 29 1.346 7.508 2.994 1.00 0.71 N ATOM 0 H HIS A 29 -1.035 9.714 0.634 1.00 0.77 H new ATOM 0 HA HIS A 29 1.012 11.636 0.820 1.00 0.90 H new ATOM 0 HB2 HIS A 29 0.797 9.021 -0.693 1.00 1.00 H new ATOM 0 HB3 HIS A 29 2.285 9.920 -0.474 1.00 1.00 H new ATOM 0 HD1 HIS A 29 3.632 8.275 0.907 1.00 1.87 H new ATOM 0 HD2 HIS A 29 -0.280 8.848 2.322 1.00 0.68 H new ATOM 0 HE1 HIS A 29 3.323 6.678 2.866 1.00 1.56 H new ATOM 435 N ARG A 30 1.046 12.853 -1.398 1.00 1.43 N ATOM 436 CA ARG A 30 0.831 13.745 -2.535 1.00 1.54 C ATOM 437 C ARG A 30 1.679 13.382 -3.767 1.00 1.43 C ATOM 438 O ARG A 30 2.262 14.252 -4.408 1.00 2.23 O ATOM 439 CB ARG A 30 1.058 15.190 -2.057 1.00 1.94 C ATOM 440 CG ARG A 30 0.391 16.241 -2.955 1.00 2.39 C ATOM 441 CD ARG A 30 0.761 17.645 -2.459 1.00 3.08 C ATOM 442 NE ARG A 30 0.144 18.700 -3.281 1.00 4.00 N ATOM 443 CZ ARG A 30 -1.116 19.147 -3.158 1.00 4.18 C ATOM 444 NH1 ARG A 30 -1.939 18.577 -2.269 1.00 3.95 N ATOM 445 NH2 ARG A 30 -1.547 20.157 -3.921 1.00 5.60 N ATOM 0 H ARG A 30 1.674 13.240 -0.693 1.00 1.43 H new ATOM 0 HA ARG A 30 -0.195 13.633 -2.885 1.00 1.54 H new ATOM 0 HB2 ARG A 30 0.674 15.294 -1.042 1.00 1.94 H new ATOM 0 HB3 ARG A 30 2.129 15.387 -2.014 1.00 1.94 H new ATOM 0 HG2 ARG A 30 0.715 16.111 -3.988 1.00 2.39 H new ATOM 0 HG3 ARG A 30 -0.691 16.112 -2.942 1.00 2.39 H new ATOM 0 HD2 ARG A 30 0.442 17.759 -1.423 1.00 3.08 H new ATOM 0 HD3 ARG A 30 1.845 17.761 -2.474 1.00 3.08 H new ATOM 0 HE ARG A 30 0.723 19.127 -4.004 1.00 4.00 H new ATOM 0 HH11 ARG A 30 -1.608 17.806 -1.689 1.00 3.95 H new ATOM 0 HH12 ARG A 30 -2.897 18.913 -2.172 1.00 3.95 H new ATOM 0 HH21 ARG A 30 -0.918 20.589 -4.598 1.00 5.60 H new ATOM 0 HH22 ARG A 30 -2.505 20.495 -3.826 1.00 5.60 H new ATOM 459 N GLY A 31 1.715 12.099 -4.119 1.00 0.96 N ATOM 460 CA GLY A 31 2.212 11.608 -5.399 1.00 1.41 C ATOM 461 C GLY A 31 1.778 10.161 -5.647 1.00 1.18 C ATOM 462 O GLY A 31 2.383 9.462 -6.461 1.00 1.21 O ATOM 0 H GLY A 31 1.390 11.353 -3.504 1.00 0.96 H new ATOM 0 HA2 GLY A 31 1.842 12.244 -6.203 1.00 1.41 H new ATOM 0 HA3 GLY A 31 3.300 11.672 -5.418 1.00 1.41 H new ATOM 466 N ILE A 32 0.726 9.713 -4.948 1.00 1.11 N ATOM 467 CA ILE A 32 0.115 8.413 -5.155 1.00 0.96 C ATOM 468 C ILE A 32 -1.098 8.599 -6.051 1.00 0.86 C ATOM 469 O ILE A 32 -1.824 9.583 -5.924 1.00 1.09 O ATOM 470 CB ILE A 32 -0.232 7.763 -3.809 1.00 0.96 C ATOM 471 CG1 ILE A 32 1.077 7.486 -3.065 1.00 2.02 C ATOM 472 CG2 ILE A 32 -1.048 6.477 -3.994 1.00 1.80 C ATOM 473 CD1 ILE A 32 0.897 6.564 -1.869 1.00 2.38 C ATOM 0 H ILE A 32 0.276 10.260 -4.214 1.00 1.11 H new ATOM 0 HA ILE A 32 0.807 7.731 -5.648 1.00 0.96 H new ATOM 0 HB ILE A 32 -0.857 8.440 -3.227 1.00 0.96 H new ATOM 0 HG12 ILE A 32 1.794 7.041 -3.755 1.00 2.02 H new ATOM 0 HG13 ILE A 32 1.504 8.431 -2.728 1.00 2.02 H new ATOM 0 HG21 ILE A 32 -1.274 6.046 -3.019 1.00 1.80 H new ATOM 0 HG22 ILE A 32 -1.978 6.708 -4.513 1.00 1.80 H new ATOM 0 HG23 ILE A 32 -0.472 5.762 -4.582 1.00 1.80 H new ATOM 0 HD11 ILE A 32 1.860 6.406 -1.383 1.00 2.38 H new ATOM 0 HD12 ILE A 32 0.204 7.018 -1.161 1.00 2.38 H new ATOM 0 HD13 ILE A 32 0.498 5.607 -2.204 1.00 2.38 H new ATOM 485 N LEU A 33 -1.283 7.654 -6.971 1.00 0.70 N ATOM 486 CA LEU A 33 -2.298 7.704 -8.000 1.00 0.75 C ATOM 487 C LEU A 33 -3.399 6.685 -7.745 1.00 0.67 C ATOM 488 O LEU A 33 -4.553 6.970 -8.062 1.00 0.78 O ATOM 489 CB LEU A 33 -1.658 7.488 -9.381 1.00 0.83 C ATOM 490 CG LEU A 33 -0.519 8.471 -9.701 1.00 0.96 C ATOM 491 CD1 LEU A 33 0.141 8.066 -11.024 1.00 1.41 C ATOM 492 CD2 LEU A 33 -1.022 9.915 -9.799 1.00 1.60 C ATOM 0 H LEU A 33 -0.710 6.811 -7.015 1.00 0.70 H new ATOM 0 HA LEU A 33 -2.759 8.691 -7.978 1.00 0.75 H new ATOM 0 HB2 LEU A 33 -1.272 6.470 -9.437 1.00 0.83 H new ATOM 0 HB3 LEU A 33 -2.429 7.579 -10.146 1.00 0.83 H new ATOM 0 HG LEU A 33 0.204 8.427 -8.887 1.00 0.96 H new ATOM 0 HD11 LEU A 33 0.949 8.760 -11.255 1.00 1.41 H new ATOM 0 HD12 LEU A 33 0.543 7.057 -10.936 1.00 1.41 H new ATOM 0 HD13 LEU A 33 -0.600 8.093 -11.823 1.00 1.41 H new ATOM 0 HD21 LEU A 33 -0.186 10.577 -10.026 1.00 1.60 H new ATOM 0 HD22 LEU A 33 -1.768 9.988 -10.591 1.00 1.60 H new ATOM 0 HD23 LEU A 33 -1.470 10.209 -8.850 1.00 1.60 H new ATOM 504 N TYR A 34 -3.086 5.496 -7.214 1.00 0.56 N ATOM 505 CA TYR A 34 -4.110 4.493 -7.022 1.00 0.58 C ATOM 506 C TYR A 34 -3.696 3.538 -5.914 1.00 0.53 C ATOM 507 O TYR A 34 -2.511 3.433 -5.609 1.00 0.53 O ATOM 508 CB TYR A 34 -4.329 3.759 -8.346 1.00 0.66 C ATOM 509 CG TYR A 34 -5.598 2.956 -8.381 1.00 0.77 C ATOM 510 CD1 TYR A 34 -6.832 3.625 -8.381 1.00 1.60 C ATOM 511 CD2 TYR A 34 -5.550 1.557 -8.264 1.00 2.05 C ATOM 512 CE1 TYR A 34 -8.017 2.901 -8.205 1.00 1.63 C ATOM 513 CE2 TYR A 34 -6.740 0.832 -8.133 1.00 2.24 C ATOM 514 CZ TYR A 34 -7.973 1.505 -8.057 1.00 1.23 C ATOM 515 OH TYR A 34 -9.114 0.811 -7.789 1.00 1.52 O ATOM 0 H TYR A 34 -2.149 5.220 -6.919 1.00 0.56 H new ATOM 0 HA TYR A 34 -5.049 4.958 -6.720 1.00 0.58 H new ATOM 0 HB2 TYR A 34 -4.346 4.486 -9.158 1.00 0.66 H new ATOM 0 HB3 TYR A 34 -3.483 3.096 -8.529 1.00 0.66 H new ATOM 0 HD1 TYR A 34 -6.867 4.696 -8.516 1.00 1.60 H new ATOM 0 HD2 TYR A 34 -4.600 1.044 -8.275 1.00 2.05 H new ATOM 0 HE1 TYR A 34 -8.966 3.416 -8.183 1.00 1.63 H new ATOM 0 HE2 TYR A 34 -6.712 -0.247 -8.090 1.00 2.24 H new ATOM 0 HH TYR A 34 -8.938 0.150 -7.087 1.00 1.52 H new ATOM 525 N CYS A 35 -4.685 2.864 -5.331 1.00 0.65 N ATOM 526 CA CYS A 35 -4.593 1.936 -4.215 1.00 0.71 C ATOM 527 C CYS A 35 -5.813 1.025 -4.341 1.00 0.85 C ATOM 528 O CYS A 35 -6.877 1.468 -4.775 1.00 1.64 O ATOM 529 CB CYS A 35 -4.569 2.716 -2.894 1.00 0.77 C ATOM 530 SG CYS A 35 -6.141 3.580 -2.629 1.00 3.13 S ATOM 0 H CYS A 35 -5.647 2.963 -5.656 1.00 0.65 H new ATOM 0 HA CYS A 35 -3.679 1.342 -4.227 1.00 0.71 H new ATOM 0 HB2 CYS A 35 -4.380 2.033 -2.066 1.00 0.77 H new ATOM 0 HB3 CYS A 35 -3.751 3.436 -2.906 1.00 0.77 H new ATOM 0 HG CYS A 35 -7.055 3.064 -3.397 1.00 3.13 H new ATOM 536 N SER A 36 -5.635 -0.267 -4.073 1.00 0.78 N ATOM 537 CA SER A 36 -6.705 -1.247 -3.944 1.00 0.85 C ATOM 538 C SER A 36 -6.151 -2.376 -3.090 1.00 0.74 C ATOM 539 O SER A 36 -5.507 -3.294 -3.605 1.00 0.89 O ATOM 540 CB SER A 36 -7.174 -1.752 -5.312 1.00 1.04 C ATOM 541 OG SER A 36 -7.998 -0.778 -5.920 1.00 1.55 O ATOM 0 H SER A 36 -4.709 -0.672 -3.935 1.00 0.78 H new ATOM 0 HA SER A 36 -7.585 -0.803 -3.478 1.00 0.85 H new ATOM 0 HB2 SER A 36 -6.314 -1.963 -5.947 1.00 1.04 H new ATOM 0 HB3 SER A 36 -7.723 -2.687 -5.197 1.00 1.04 H new ATOM 0 HG SER A 36 -7.742 0.113 -5.601 1.00 1.55 H new ATOM 547 N VAL A 37 -6.335 -2.266 -1.779 1.00 0.59 N ATOM 548 CA VAL A 37 -5.729 -3.165 -0.818 1.00 0.54 C ATOM 549 C VAL A 37 -6.641 -4.383 -0.686 1.00 0.70 C ATOM 550 O VAL A 37 -7.402 -4.535 0.268 1.00 1.16 O ATOM 551 CB VAL A 37 -5.488 -2.385 0.485 1.00 0.58 C ATOM 552 CG1 VAL A 37 -4.787 -3.251 1.523 1.00 1.73 C ATOM 553 CG2 VAL A 37 -4.574 -1.176 0.251 1.00 1.92 C ATOM 0 H VAL A 37 -6.915 -1.542 -1.355 1.00 0.59 H new ATOM 0 HA VAL A 37 -4.753 -3.540 -1.125 1.00 0.54 H new ATOM 0 HB VAL A 37 -6.472 -2.070 0.833 1.00 0.58 H new ATOM 0 HG11 VAL A 37 -4.630 -2.673 2.433 1.00 1.73 H new ATOM 0 HG12 VAL A 37 -5.404 -4.121 1.748 1.00 1.73 H new ATOM 0 HG13 VAL A 37 -3.824 -3.580 1.132 1.00 1.73 H new ATOM 0 HG21 VAL A 37 -4.424 -0.646 1.192 1.00 1.92 H new ATOM 0 HG22 VAL A 37 -3.612 -1.516 -0.132 1.00 1.92 H new ATOM 0 HG23 VAL A 37 -5.036 -0.505 -0.473 1.00 1.92 H new ATOM 563 N ALA A 38 -6.591 -5.263 -1.686 1.00 0.58 N ATOM 564 CA ALA A 38 -7.514 -6.368 -1.781 1.00 0.77 C ATOM 565 C ALA A 38 -7.071 -7.474 -0.825 1.00 0.62 C ATOM 566 O ALA A 38 -6.288 -8.352 -1.189 1.00 0.54 O ATOM 567 CB ALA A 38 -7.595 -6.828 -3.235 1.00 1.00 C ATOM 0 H ALA A 38 -5.909 -5.221 -2.444 1.00 0.58 H new ATOM 0 HA ALA A 38 -8.519 -6.071 -1.482 1.00 0.77 H new ATOM 0 HB1 ALA A 38 -8.291 -7.663 -3.314 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -7.944 -6.005 -3.858 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -6.608 -7.145 -3.572 1.00 1.00 H new ATOM 573 N LEU A 39 -7.626 -7.447 0.390 1.00 0.73 N ATOM 574 CA LEU A 39 -7.545 -8.520 1.378 1.00 0.73 C ATOM 575 C LEU A 39 -7.753 -9.892 0.736 1.00 0.63 C ATOM 576 O LEU A 39 -7.069 -10.844 1.093 1.00 0.56 O ATOM 577 CB LEU A 39 -8.559 -8.253 2.502 1.00 1.08 C ATOM 578 CG LEU A 39 -8.485 -9.243 3.679 1.00 1.40 C ATOM 579 CD1 LEU A 39 -8.870 -8.526 4.979 1.00 2.17 C ATOM 580 CD2 LEU A 39 -9.438 -10.435 3.501 1.00 1.65 C ATOM 0 H LEU A 39 -8.163 -6.646 0.722 1.00 0.73 H new ATOM 0 HA LEU A 39 -6.543 -8.533 1.808 1.00 0.73 H new ATOM 0 HB2 LEU A 39 -8.403 -7.244 2.883 1.00 1.08 H new ATOM 0 HB3 LEU A 39 -9.564 -8.283 2.082 1.00 1.08 H new ATOM 0 HG LEU A 39 -7.461 -9.616 3.715 1.00 1.40 H new ATOM 0 HD11 LEU A 39 -8.817 -9.228 5.811 1.00 2.17 H new ATOM 0 HD12 LEU A 39 -8.181 -7.700 5.157 1.00 2.17 H new ATOM 0 HD13 LEU A 39 -9.886 -8.140 4.894 1.00 2.17 H new ATOM 0 HD21 LEU A 39 -9.348 -11.104 4.357 1.00 1.65 H new ATOM 0 HD22 LEU A 39 -10.464 -10.073 3.429 1.00 1.65 H new ATOM 0 HD23 LEU A 39 -9.179 -10.975 2.590 1.00 1.65 H new ATOM 592 N ALA A 40 -8.649 -9.986 -0.253 1.00 0.77 N ATOM 593 CA ALA A 40 -8.926 -11.220 -0.982 1.00 0.85 C ATOM 594 C ALA A 40 -7.654 -11.870 -1.537 1.00 0.78 C ATOM 595 O ALA A 40 -7.575 -13.090 -1.642 1.00 0.88 O ATOM 596 CB ALA A 40 -9.898 -10.925 -2.126 1.00 1.11 C ATOM 0 H ALA A 40 -9.208 -9.194 -0.571 1.00 0.77 H new ATOM 0 HA ALA A 40 -9.368 -11.926 -0.280 1.00 0.85 H new ATOM 0 HB1 ALA A 40 -10.107 -11.845 -2.672 1.00 1.11 H new ATOM 0 HB2 ALA A 40 -10.827 -10.525 -1.720 1.00 1.11 H new ATOM 0 HB3 ALA A 40 -9.453 -10.194 -2.802 1.00 1.11 H new ATOM 602 N THR A 41 -6.672 -11.046 -1.912 1.00 0.71 N ATOM 603 CA THR A 41 -5.376 -11.463 -2.427 1.00 0.77 C ATOM 604 C THR A 41 -4.258 -11.023 -1.466 1.00 0.65 C ATOM 605 O THR A 41 -3.087 -11.076 -1.838 1.00 0.80 O ATOM 606 CB THR A 41 -5.229 -10.935 -3.871 1.00 0.94 C ATOM 607 OG1 THR A 41 -3.929 -11.110 -4.405 1.00 1.20 O ATOM 608 CG2 THR A 41 -5.655 -9.480 -4.049 1.00 1.60 C ATOM 0 H THR A 41 -6.767 -10.032 -1.861 1.00 0.71 H new ATOM 0 HA THR A 41 -5.295 -12.549 -2.479 1.00 0.77 H new ATOM 0 HB THR A 41 -5.923 -11.558 -4.435 1.00 0.94 H new ATOM 0 HG1 THR A 41 -3.272 -11.098 -3.678 1.00 1.20 H new ATOM 0 HG21 THR A 41 -5.521 -9.186 -5.090 1.00 1.60 H new ATOM 0 HG22 THR A 41 -6.704 -9.372 -3.773 1.00 1.60 H new ATOM 0 HG23 THR A 41 -5.044 -8.841 -3.411 1.00 1.60 H new ATOM 616 N ASN A 42 -4.614 -10.586 -0.248 1.00 0.50 N ATOM 617 CA ASN A 42 -3.729 -10.036 0.780 1.00 0.55 C ATOM 618 C ASN A 42 -2.664 -9.111 0.189 1.00 0.52 C ATOM 619 O ASN A 42 -1.527 -9.091 0.653 1.00 0.54 O ATOM 620 CB ASN A 42 -3.158 -11.174 1.651 1.00 0.85 C ATOM 621 CG ASN A 42 -3.935 -11.313 2.955 1.00 1.08 C ATOM 622 OD1 ASN A 42 -4.806 -12.164 3.086 1.00 2.14 O ATOM 623 ND2 ASN A 42 -3.623 -10.480 3.944 1.00 1.24 N ATOM 0 H ASN A 42 -5.586 -10.610 0.060 1.00 0.50 H new ATOM 0 HA ASN A 42 -4.312 -9.394 1.441 1.00 0.55 H new ATOM 0 HB2 ASN A 42 -3.198 -12.113 1.099 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -2.108 -10.977 1.869 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -4.113 -10.542 4.836 1.00 1.24 H new ATOM 0 HD22 ASN A 42 -2.894 -9.780 3.810 1.00 1.24 H new ATOM 630 N LYS A 43 -3.040 -8.326 -0.826 1.00 0.51 N ATOM 631 CA LYS A 43 -2.106 -7.552 -1.632 1.00 0.55 C ATOM 632 C LYS A 43 -2.559 -6.101 -1.693 1.00 0.42 C ATOM 633 O LYS A 43 -3.752 -5.820 -1.583 1.00 0.49 O ATOM 634 CB LYS A 43 -1.932 -8.224 -3.013 1.00 0.70 C ATOM 635 CG LYS A 43 -1.544 -7.314 -4.195 1.00 0.72 C ATOM 636 CD LYS A 43 -2.772 -6.604 -4.801 1.00 0.80 C ATOM 637 CE LYS A 43 -3.404 -7.432 -5.923 1.00 0.98 C ATOM 638 NZ LYS A 43 -2.654 -7.382 -7.197 1.00 1.44 N ATOM 0 H LYS A 43 -4.013 -8.213 -1.110 1.00 0.51 H new ATOM 0 HA LYS A 43 -1.116 -7.537 -1.177 1.00 0.55 H new ATOM 0 HB2 LYS A 43 -1.171 -8.998 -2.918 1.00 0.70 H new ATOM 0 HB3 LYS A 43 -2.867 -8.725 -3.265 1.00 0.70 H new ATOM 0 HG2 LYS A 43 -0.823 -6.569 -3.858 1.00 0.72 H new ATOM 0 HG3 LYS A 43 -1.052 -7.909 -4.965 1.00 0.72 H new ATOM 0 HD2 LYS A 43 -3.511 -6.424 -4.020 1.00 0.80 H new ATOM 0 HD3 LYS A 43 -2.475 -5.630 -5.190 1.00 0.80 H new ATOM 0 HE2 LYS A 43 -3.480 -8.469 -5.598 1.00 0.98 H new ATOM 0 HE3 LYS A 43 -4.420 -7.077 -6.096 1.00 0.98 H new ATOM 0 HZ1 LYS A 43 -2.855 -8.238 -7.752 1.00 1.44 H new ATOM 0 HZ2 LYS A 43 -2.944 -6.542 -7.738 1.00 1.44 H new ATOM 0 HZ3 LYS A 43 -1.635 -7.331 -6.998 1.00 1.44 H new ATOM 652 N ALA A 44 -1.608 -5.192 -1.923 1.00 0.58 N ATOM 653 CA ALA A 44 -1.877 -3.806 -2.235 1.00 0.50 C ATOM 654 C ALA A 44 -1.022 -3.436 -3.430 1.00 0.38 C ATOM 655 O ALA A 44 0.201 -3.406 -3.319 1.00 0.42 O ATOM 656 CB ALA A 44 -1.548 -2.904 -1.053 1.00 0.61 C ATOM 0 H ALA A 44 -0.613 -5.414 -1.894 1.00 0.58 H new ATOM 0 HA ALA A 44 -2.936 -3.672 -2.458 1.00 0.50 H new ATOM 0 HB1 ALA A 44 -1.760 -1.868 -1.316 1.00 0.61 H new ATOM 0 HB2 ALA A 44 -2.156 -3.192 -0.195 1.00 0.61 H new ATOM 0 HB3 ALA A 44 -0.493 -3.006 -0.800 1.00 0.61 H new ATOM 662 N HIS A 45 -1.695 -3.191 -4.552 1.00 0.50 N ATOM 663 CA HIS A 45 -1.187 -2.638 -5.793 1.00 0.56 C ATOM 664 C HIS A 45 -1.407 -1.138 -5.663 1.00 0.41 C ATOM 665 O HIS A 45 -2.519 -0.652 -5.864 1.00 0.55 O ATOM 666 CB HIS A 45 -1.988 -3.316 -6.913 1.00 0.76 C ATOM 667 CG HIS A 45 -1.825 -2.780 -8.307 1.00 0.57 C ATOM 668 ND1 HIS A 45 -1.383 -3.506 -9.394 1.00 0.81 N ATOM 669 CD2 HIS A 45 -2.518 -1.704 -8.793 1.00 0.85 C ATOM 670 CE1 HIS A 45 -1.790 -2.866 -10.500 1.00 0.89 C ATOM 671 NE2 HIS A 45 -2.484 -1.758 -10.189 1.00 1.29 N ATOM 0 H HIS A 45 -2.693 -3.393 -4.615 1.00 0.50 H new ATOM 0 HA HIS A 45 -0.133 -2.807 -6.012 1.00 0.56 H new ATOM 0 HB2 HIS A 45 -1.720 -4.372 -6.926 1.00 0.76 H new ATOM 0 HB3 HIS A 45 -3.045 -3.259 -6.652 1.00 0.76 H new ATOM 0 HD1 HIS A 45 -0.845 -4.372 -9.362 1.00 0.81 H new ATOM 0 HD2 HIS A 45 -3.006 -0.945 -8.200 1.00 0.85 H new ATOM 0 HE1 HIS A 45 -1.587 -3.197 -11.508 1.00 0.89 H new ATOM 679 N ILE A 46 -0.363 -0.419 -5.253 1.00 0.42 N ATOM 680 CA ILE A 46 -0.378 1.032 -5.228 1.00 0.47 C ATOM 681 C ILE A 46 0.204 1.447 -6.569 1.00 0.50 C ATOM 682 O ILE A 46 1.216 0.890 -6.991 1.00 0.70 O ATOM 683 CB ILE A 46 0.458 1.627 -4.080 1.00 0.68 C ATOM 684 CG1 ILE A 46 0.001 1.246 -2.669 1.00 0.77 C ATOM 685 CG2 ILE A 46 0.371 3.161 -4.092 1.00 1.10 C ATOM 686 CD1 ILE A 46 -0.013 -0.245 -2.392 1.00 1.57 C ATOM 0 H ILE A 46 0.513 -0.831 -4.931 1.00 0.42 H new ATOM 0 HA ILE A 46 -1.390 1.400 -5.061 1.00 0.47 H new ATOM 0 HB ILE A 46 1.454 1.224 -4.266 1.00 0.68 H new ATOM 0 HG12 ILE A 46 0.657 1.731 -1.946 1.00 0.77 H new ATOM 0 HG13 ILE A 46 -1.001 1.642 -2.506 1.00 0.77 H new ATOM 0 HG21 ILE A 46 0.967 3.566 -3.274 1.00 1.10 H new ATOM 0 HG22 ILE A 46 0.752 3.540 -5.041 1.00 1.10 H new ATOM 0 HG23 ILE A 46 -0.668 3.467 -3.970 1.00 1.10 H new ATOM 0 HD11 ILE A 46 -0.349 -0.422 -1.370 1.00 1.57 H new ATOM 0 HD12 ILE A 46 -0.692 -0.738 -3.088 1.00 1.57 H new ATOM 0 HD13 ILE A 46 0.992 -0.648 -2.518 1.00 1.57 H new ATOM 698 N LYS A 47 -0.408 2.419 -7.234 1.00 0.51 N ATOM 699 CA LYS A 47 0.188 3.053 -8.393 1.00 0.54 C ATOM 700 C LYS A 47 0.603 4.454 -7.955 1.00 0.62 C ATOM 701 O LYS A 47 -0.212 5.153 -7.353 1.00 0.66 O ATOM 702 CB LYS A 47 -0.818 3.066 -9.543 1.00 0.60 C ATOM 703 CG LYS A 47 -1.385 1.661 -9.817 1.00 0.74 C ATOM 704 CD LYS A 47 -1.945 1.543 -11.241 1.00 1.19 C ATOM 705 CE LYS A 47 -3.163 2.447 -11.468 1.00 2.32 C ATOM 706 NZ LYS A 47 -3.672 2.336 -12.850 1.00 3.20 N ATOM 0 H LYS A 47 -1.326 2.785 -6.983 1.00 0.51 H new ATOM 0 HA LYS A 47 1.063 2.516 -8.760 1.00 0.54 H new ATOM 0 HB2 LYS A 47 -1.634 3.748 -9.305 1.00 0.60 H new ATOM 0 HB3 LYS A 47 -0.337 3.447 -10.444 1.00 0.60 H new ATOM 0 HG2 LYS A 47 -0.601 0.918 -9.671 1.00 0.74 H new ATOM 0 HG3 LYS A 47 -2.172 1.439 -9.097 1.00 0.74 H new ATOM 0 HD2 LYS A 47 -1.165 1.802 -11.957 1.00 1.19 H new ATOM 0 HD3 LYS A 47 -2.224 0.507 -11.434 1.00 1.19 H new ATOM 0 HE2 LYS A 47 -3.952 2.178 -10.766 1.00 2.32 H new ATOM 0 HE3 LYS A 47 -2.892 3.482 -11.261 1.00 2.32 H new ATOM 0 HZ1 LYS A 47 -4.495 2.960 -12.968 1.00 3.20 H new ATOM 0 HZ2 LYS A 47 -2.926 2.616 -13.518 1.00 3.20 H new ATOM 0 HZ3 LYS A 47 -3.954 1.353 -13.038 1.00 3.20 H new ATOM 720 N TYR A 48 1.861 4.841 -8.188 1.00 0.83 N ATOM 721 CA TYR A 48 2.432 6.093 -7.711 1.00 0.95 C ATOM 722 C TYR A 48 3.737 6.378 -8.448 1.00 0.75 C ATOM 723 O TYR A 48 4.274 5.485 -9.108 1.00 0.84 O ATOM 724 CB TYR A 48 2.692 6.023 -6.200 1.00 1.20 C ATOM 725 CG TYR A 48 3.783 5.065 -5.774 1.00 1.20 C ATOM 726 CD1 TYR A 48 3.482 3.707 -5.596 1.00 2.58 C ATOM 727 CD2 TYR A 48 5.059 5.543 -5.422 1.00 2.08 C ATOM 728 CE1 TYR A 48 4.418 2.868 -4.985 1.00 2.98 C ATOM 729 CE2 TYR A 48 6.055 4.648 -4.996 1.00 2.14 C ATOM 730 CZ TYR A 48 5.733 3.301 -4.794 1.00 1.98 C ATOM 731 OH TYR A 48 6.682 2.419 -4.378 1.00 2.50 O ATOM 0 H TYR A 48 2.520 4.277 -8.725 1.00 0.83 H new ATOM 0 HA TYR A 48 1.723 6.898 -7.906 1.00 0.95 H new ATOM 0 HB2 TYR A 48 2.950 7.021 -5.846 1.00 1.20 H new ATOM 0 HB3 TYR A 48 1.766 5.737 -5.702 1.00 1.20 H new ATOM 0 HD1 TYR A 48 2.533 3.312 -5.929 1.00 2.58 H new ATOM 0 HD2 TYR A 48 5.273 6.600 -5.479 1.00 2.08 H new ATOM 0 HE1 TYR A 48 4.124 1.881 -4.659 1.00 2.98 H new ATOM 0 HE2 TYR A 48 7.063 4.997 -4.826 1.00 2.14 H new ATOM 0 HH TYR A 48 7.543 2.880 -4.295 1.00 2.50 H new ATOM 741 N ASP A 49 4.243 7.605 -8.284 1.00 0.78 N ATOM 742 CA ASP A 49 5.562 8.016 -8.750 1.00 0.79 C ATOM 743 C ASP A 49 6.578 7.799 -7.621 1.00 0.67 C ATOM 744 O ASP A 49 6.423 8.399 -6.554 1.00 0.81 O ATOM 745 CB ASP A 49 5.516 9.499 -9.136 1.00 1.20 C ATOM 746 CG ASP A 49 6.896 10.098 -9.395 1.00 2.90 C ATOM 747 OD1 ASP A 49 7.865 9.316 -9.516 1.00 3.97 O ATOM 748 OD2 ASP A 49 6.955 11.343 -9.459 1.00 4.00 O ATOM 0 H ASP A 49 3.732 8.352 -7.813 1.00 0.78 H new ATOM 0 HA ASP A 49 5.857 7.428 -9.619 1.00 0.79 H new ATOM 0 HB2 ASP A 49 4.903 9.616 -10.030 1.00 1.20 H new ATOM 0 HB3 ASP A 49 5.028 10.060 -8.339 1.00 1.20 H new ATOM 753 N PRO A 50 7.608 6.956 -7.801 1.00 0.74 N ATOM 754 CA PRO A 50 8.630 6.781 -6.789 1.00 0.90 C ATOM 755 C PRO A 50 9.384 8.073 -6.470 1.00 1.10 C ATOM 756 O PRO A 50 9.759 8.255 -5.311 1.00 2.15 O ATOM 757 CB PRO A 50 9.544 5.659 -7.289 1.00 0.94 C ATOM 758 CG PRO A 50 9.342 5.670 -8.803 1.00 0.90 C ATOM 759 CD PRO A 50 7.899 6.143 -8.972 1.00 0.80 C ATOM 0 HA PRO A 50 8.180 6.509 -5.834 1.00 0.90 H new ATOM 0 HB2 PRO A 50 10.585 5.843 -7.023 1.00 0.94 H new ATOM 0 HB3 PRO A 50 9.270 4.697 -6.856 1.00 0.94 H new ATOM 0 HG2 PRO A 50 10.044 6.342 -9.296 1.00 0.90 H new ATOM 0 HG3 PRO A 50 9.492 4.680 -9.234 1.00 0.90 H new ATOM 0 HD2 PRO A 50 7.782 6.721 -9.888 1.00 0.80 H new ATOM 0 HD3 PRO A 50 7.216 5.297 -9.040 1.00 0.80 H new ATOM 767 N GLU A 51 9.585 8.983 -7.431 1.00 0.76 N ATOM 768 CA GLU A 51 10.543 10.082 -7.313 1.00 1.01 C ATOM 769 C GLU A 51 9.940 11.288 -6.587 1.00 0.93 C ATOM 770 O GLU A 51 10.050 12.433 -7.022 1.00 1.56 O ATOM 771 CB GLU A 51 11.080 10.441 -8.703 1.00 1.43 C ATOM 772 CG GLU A 51 11.612 9.198 -9.433 1.00 2.92 C ATOM 773 CD GLU A 51 12.698 8.473 -8.645 1.00 4.58 C ATOM 774 OE1 GLU A 51 13.729 9.124 -8.373 1.00 5.55 O ATOM 775 OE2 GLU A 51 12.475 7.285 -8.318 1.00 5.55 O ATOM 0 H GLU A 51 9.082 8.975 -8.318 1.00 0.76 H new ATOM 0 HA GLU A 51 11.381 9.757 -6.697 1.00 1.01 H new ATOM 0 HB2 GLU A 51 10.288 10.901 -9.294 1.00 1.43 H new ATOM 0 HB3 GLU A 51 11.877 11.179 -8.608 1.00 1.43 H new ATOM 0 HG2 GLU A 51 10.787 8.512 -9.622 1.00 2.92 H new ATOM 0 HG3 GLU A 51 12.009 9.494 -10.404 1.00 2.92 H new ATOM 782 N ILE A 52 9.339 11.003 -5.434 1.00 1.58 N ATOM 783 CA ILE A 52 8.701 11.933 -4.518 1.00 1.70 C ATOM 784 C ILE A 52 8.405 11.183 -3.221 1.00 1.61 C ATOM 785 O ILE A 52 8.694 11.676 -2.135 1.00 2.19 O ATOM 786 CB ILE A 52 7.444 12.572 -5.152 1.00 1.77 C ATOM 787 CG1 ILE A 52 6.747 13.575 -4.211 1.00 3.32 C ATOM 788 CG2 ILE A 52 6.460 11.581 -5.789 1.00 2.55 C ATOM 789 CD1 ILE A 52 5.665 12.985 -3.296 1.00 4.15 C ATOM 0 H ILE A 52 9.284 10.043 -5.094 1.00 1.58 H new ATOM 0 HA ILE A 52 9.363 12.770 -4.295 1.00 1.70 H new ATOM 0 HB ILE A 52 7.834 13.141 -5.996 1.00 1.77 H new ATOM 0 HG12 ILE A 52 7.506 14.049 -3.588 1.00 3.32 H new ATOM 0 HG13 ILE A 52 6.296 14.361 -4.817 1.00 3.32 H new ATOM 0 HG21 ILE A 52 5.613 12.126 -6.205 1.00 2.55 H new ATOM 0 HG22 ILE A 52 6.962 11.029 -6.584 1.00 2.55 H new ATOM 0 HG23 ILE A 52 6.105 10.883 -5.031 1.00 2.55 H new ATOM 0 HD11 ILE A 52 5.241 13.776 -2.677 1.00 4.15 H new ATOM 0 HD12 ILE A 52 4.878 12.538 -3.904 1.00 4.15 H new ATOM 0 HD13 ILE A 52 6.107 12.221 -2.656 1.00 4.15 H new ATOM 801 N ILE A 53 7.828 9.987 -3.354 1.00 1.03 N ATOM 802 CA ILE A 53 7.349 9.178 -2.241 1.00 0.87 C ATOM 803 C ILE A 53 8.395 8.115 -1.891 1.00 1.17 C ATOM 804 O ILE A 53 8.827 8.008 -0.746 1.00 2.84 O ATOM 805 CB ILE A 53 5.954 8.623 -2.625 1.00 0.77 C ATOM 806 CG1 ILE A 53 4.797 9.344 -1.911 1.00 1.23 C ATOM 807 CG2 ILE A 53 5.734 7.126 -2.438 1.00 1.40 C ATOM 808 CD1 ILE A 53 3.780 9.729 -2.975 1.00 2.48 C ATOM 0 H ILE A 53 7.679 9.547 -4.262 1.00 1.03 H new ATOM 0 HA ILE A 53 7.219 9.758 -1.327 1.00 0.87 H new ATOM 0 HB ILE A 53 5.949 8.822 -3.697 1.00 0.77 H new ATOM 0 HG12 ILE A 53 4.343 8.695 -1.162 1.00 1.23 H new ATOM 0 HG13 ILE A 53 5.160 10.229 -1.388 1.00 1.23 H new ATOM 0 HG21 ILE A 53 4.720 6.866 -2.742 1.00 1.40 H new ATOM 0 HG22 ILE A 53 6.449 6.574 -3.049 1.00 1.40 H new ATOM 0 HG23 ILE A 53 5.876 6.866 -1.389 1.00 1.40 H new ATOM 0 HD11 ILE A 53 2.941 10.244 -2.507 1.00 2.48 H new ATOM 0 HD12 ILE A 53 4.249 10.388 -3.705 1.00 2.48 H new ATOM 0 HD13 ILE A 53 3.420 8.831 -3.476 1.00 2.48 H new ATOM 820 N GLY A 54 8.822 7.325 -2.879 1.00 0.92 N ATOM 821 CA GLY A 54 9.585 6.109 -2.653 1.00 0.84 C ATOM 822 C GLY A 54 8.743 5.032 -1.947 1.00 0.69 C ATOM 823 O GLY A 54 7.914 5.341 -1.093 1.00 0.67 O ATOM 0 H GLY A 54 8.643 7.519 -3.864 1.00 0.92 H new ATOM 0 HA2 GLY A 54 9.945 5.723 -3.607 1.00 0.84 H new ATOM 0 HA3 GLY A 54 10.464 6.337 -2.050 1.00 0.84 H new ATOM 827 N PRO A 55 8.950 3.741 -2.262 1.00 0.75 N ATOM 828 CA PRO A 55 8.221 2.650 -1.621 1.00 0.73 C ATOM 829 C PRO A 55 8.308 2.742 -0.096 1.00 0.61 C ATOM 830 O PRO A 55 7.315 2.527 0.596 1.00 0.58 O ATOM 831 CB PRO A 55 8.827 1.351 -2.168 1.00 0.92 C ATOM 832 CG PRO A 55 10.164 1.768 -2.786 1.00 0.94 C ATOM 833 CD PRO A 55 9.979 3.238 -3.155 1.00 0.94 C ATOM 0 HA PRO A 55 7.155 2.694 -1.846 1.00 0.73 H new ATOM 0 HB2 PRO A 55 8.970 0.618 -1.375 1.00 0.92 H new ATOM 0 HB3 PRO A 55 8.174 0.893 -2.911 1.00 0.92 H new ATOM 0 HG2 PRO A 55 10.984 1.637 -2.080 1.00 0.94 H new ATOM 0 HG3 PRO A 55 10.399 1.166 -3.664 1.00 0.94 H new ATOM 0 HD2 PRO A 55 10.909 3.793 -3.032 1.00 0.94 H new ATOM 0 HD3 PRO A 55 9.679 3.345 -4.197 1.00 0.94 H new ATOM 841 N ARG A 56 9.490 3.111 0.408 1.00 0.62 N ATOM 842 CA ARG A 56 9.755 3.409 1.810 1.00 0.74 C ATOM 843 C ARG A 56 8.597 4.148 2.486 1.00 0.66 C ATOM 844 O ARG A 56 8.195 3.759 3.579 1.00 0.63 O ATOM 845 CB ARG A 56 11.035 4.250 1.919 1.00 1.22 C ATOM 846 CG ARG A 56 12.281 3.487 1.450 1.00 2.19 C ATOM 847 CD ARG A 56 13.512 4.396 1.543 1.00 3.36 C ATOM 848 NE ARG A 56 14.723 3.700 1.076 1.00 4.70 N ATOM 849 CZ ARG A 56 15.927 4.276 0.923 1.00 6.24 C ATOM 850 NH1 ARG A 56 16.089 5.569 1.228 1.00 6.83 N ATOM 851 NH2 ARG A 56 16.960 3.557 0.468 1.00 7.66 N ATOM 0 H ARG A 56 10.319 3.213 -0.178 1.00 0.62 H new ATOM 0 HA ARG A 56 9.875 2.457 2.328 1.00 0.74 H new ATOM 0 HB2 ARG A 56 10.922 5.156 1.324 1.00 1.22 H new ATOM 0 HB3 ARG A 56 11.173 4.563 2.954 1.00 1.22 H new ATOM 0 HG2 ARG A 56 12.427 2.598 2.064 1.00 2.19 H new ATOM 0 HG3 ARG A 56 12.145 3.147 0.423 1.00 2.19 H new ATOM 0 HD2 ARG A 56 13.351 5.293 0.945 1.00 3.36 H new ATOM 0 HD3 ARG A 56 13.651 4.721 2.574 1.00 3.36 H new ATOM 0 HE ARG A 56 14.642 2.708 0.852 1.00 4.70 H new ATOM 0 HH11 ARG A 56 15.300 6.114 1.575 1.00 6.83 H new ATOM 0 HH12 ARG A 56 17.002 6.010 1.113 1.00 6.83 H new ATOM 0 HH21 ARG A 56 16.833 2.572 0.237 1.00 7.66 H new ATOM 0 HH22 ARG A 56 17.874 3.994 0.352 1.00 7.66 H new ATOM 865 N ASP A 57 8.076 5.214 1.870 1.00 0.75 N ATOM 866 CA ASP A 57 7.090 6.063 2.517 1.00 0.74 C ATOM 867 C ASP A 57 5.786 5.282 2.703 1.00 0.64 C ATOM 868 O ASP A 57 5.247 5.170 3.804 1.00 0.61 O ATOM 869 CB ASP A 57 6.948 7.312 1.648 1.00 0.81 C ATOM 870 CG ASP A 57 5.851 8.254 2.088 1.00 2.57 C ATOM 871 OD1 ASP A 57 5.573 8.307 3.301 1.00 3.69 O ATOM 872 OD2 ASP A 57 5.276 8.888 1.176 1.00 3.65 O ATOM 0 H ASP A 57 8.325 5.503 0.924 1.00 0.75 H new ATOM 0 HA ASP A 57 7.388 6.374 3.518 1.00 0.74 H new ATOM 0 HB2 ASP A 57 7.896 7.851 1.649 1.00 0.81 H new ATOM 0 HB3 ASP A 57 6.757 7.005 0.620 1.00 0.81 H new ATOM 877 N ILE A 58 5.310 4.657 1.625 1.00 0.60 N ATOM 878 CA ILE A 58 4.132 3.800 1.665 1.00 0.54 C ATOM 879 C ILE A 58 4.305 2.682 2.696 1.00 0.46 C ATOM 880 O ILE A 58 3.439 2.507 3.553 1.00 0.44 O ATOM 881 CB ILE A 58 3.826 3.275 0.255 1.00 0.58 C ATOM 882 CG1 ILE A 58 3.265 4.433 -0.579 1.00 0.68 C ATOM 883 CG2 ILE A 58 2.828 2.113 0.283 1.00 0.60 C ATOM 884 CD1 ILE A 58 3.618 4.238 -2.048 1.00 1.04 C ATOM 0 H ILE A 58 5.733 4.733 0.700 1.00 0.60 H new ATOM 0 HA ILE A 58 3.268 4.379 1.991 1.00 0.54 H new ATOM 0 HB ILE A 58 4.747 2.894 -0.187 1.00 0.58 H new ATOM 0 HG12 ILE A 58 2.183 4.486 -0.461 1.00 0.68 H new ATOM 0 HG13 ILE A 58 3.671 5.379 -0.222 1.00 0.68 H new ATOM 0 HG21 ILE A 58 2.639 1.771 -0.735 1.00 0.60 H new ATOM 0 HG22 ILE A 58 3.241 1.293 0.870 1.00 0.60 H new ATOM 0 HG23 ILE A 58 1.893 2.447 0.733 1.00 0.60 H new ATOM 0 HD11 ILE A 58 3.215 5.066 -2.632 1.00 1.04 H new ATOM 0 HD12 ILE A 58 4.702 4.208 -2.161 1.00 1.04 H new ATOM 0 HD13 ILE A 58 3.190 3.301 -2.404 1.00 1.04 H new ATOM 896 N ILE A 59 5.409 1.929 2.616 1.00 0.48 N ATOM 897 CA ILE A 59 5.706 0.871 3.578 1.00 0.50 C ATOM 898 C ILE A 59 5.607 1.445 4.995 1.00 0.51 C ATOM 899 O ILE A 59 4.879 0.904 5.825 1.00 0.51 O ATOM 900 CB ILE A 59 7.066 0.202 3.266 1.00 0.59 C ATOM 901 CG1 ILE A 59 6.905 -0.982 2.292 1.00 1.07 C ATOM 902 CG2 ILE A 59 7.737 -0.368 4.526 1.00 1.01 C ATOM 903 CD1 ILE A 59 6.436 -0.597 0.889 1.00 1.71 C ATOM 0 H ILE A 59 6.114 2.038 1.887 1.00 0.48 H new ATOM 0 HA ILE A 59 4.972 0.069 3.500 1.00 0.50 H new ATOM 0 HB ILE A 59 7.678 0.992 2.830 1.00 0.59 H new ATOM 0 HG12 ILE A 59 7.860 -1.501 2.211 1.00 1.07 H new ATOM 0 HG13 ILE A 59 6.193 -1.690 2.717 1.00 1.07 H new ATOM 0 HG21 ILE A 59 8.688 -0.827 4.256 1.00 1.01 H new ATOM 0 HG22 ILE A 59 7.912 0.436 5.240 1.00 1.01 H new ATOM 0 HG23 ILE A 59 7.087 -1.118 4.977 1.00 1.01 H new ATOM 0 HD11 ILE A 59 6.352 -1.494 0.275 1.00 1.71 H new ATOM 0 HD12 ILE A 59 5.464 -0.107 0.952 1.00 1.71 H new ATOM 0 HD13 ILE A 59 7.157 0.085 0.439 1.00 1.71 H new ATOM 915 N HIS A 60 6.280 2.569 5.250 1.00 0.62 N ATOM 916 CA HIS A 60 6.281 3.210 6.547 1.00 0.70 C ATOM 917 C HIS A 60 4.854 3.497 6.998 1.00 0.62 C ATOM 918 O HIS A 60 4.508 3.191 8.136 1.00 0.64 O ATOM 919 CB HIS A 60 7.136 4.479 6.512 1.00 0.85 C ATOM 920 CG HIS A 60 7.257 5.121 7.865 1.00 2.10 C ATOM 921 ND1 HIS A 60 6.411 6.069 8.393 1.00 3.77 N ATOM 922 CD2 HIS A 60 8.163 4.780 8.831 1.00 2.50 C ATOM 923 CE1 HIS A 60 6.814 6.304 9.654 1.00 5.05 C ATOM 924 NE2 HIS A 60 7.880 5.547 9.965 1.00 4.31 N ATOM 0 H HIS A 60 6.841 3.056 4.551 1.00 0.62 H new ATOM 0 HA HIS A 60 6.725 2.536 7.279 1.00 0.70 H new ATOM 0 HB2 HIS A 60 8.130 4.235 6.138 1.00 0.85 H new ATOM 0 HB3 HIS A 60 6.698 5.191 5.812 1.00 0.85 H new ATOM 0 HD2 HIS A 60 8.954 4.051 8.735 1.00 2.50 H new ATOM 0 HE1 HIS A 60 6.344 7.007 10.326 1.00 5.05 H new ATOM 0 HE2 HIS A 60 8.383 5.535 10.852 1.00 4.31 H new ATOM 932 N THR A 61 4.006 4.065 6.134 1.00 0.57 N ATOM 933 CA THR A 61 2.614 4.285 6.505 1.00 0.52 C ATOM 934 C THR A 61 1.920 2.959 6.840 1.00 0.38 C ATOM 935 O THR A 61 1.271 2.863 7.878 1.00 0.39 O ATOM 936 CB THR A 61 1.881 5.108 5.438 1.00 0.66 C ATOM 937 OG1 THR A 61 2.522 6.359 5.344 1.00 0.95 O ATOM 938 CG2 THR A 61 0.426 5.389 5.829 1.00 0.81 C ATOM 0 H THR A 61 4.256 4.373 5.194 1.00 0.57 H new ATOM 0 HA THR A 61 2.583 4.882 7.417 1.00 0.52 H new ATOM 0 HB THR A 61 1.898 4.544 4.506 1.00 0.66 H new ATOM 0 HG1 THR A 61 3.390 6.249 4.903 1.00 0.95 H new ATOM 0 HG21 THR A 61 -0.055 5.974 5.045 1.00 0.81 H new ATOM 0 HG22 THR A 61 -0.105 4.446 5.955 1.00 0.81 H new ATOM 0 HG23 THR A 61 0.402 5.947 6.765 1.00 0.81 H new ATOM 946 N ILE A 62 2.051 1.932 5.997 1.00 0.35 N ATOM 947 CA ILE A 62 1.409 0.636 6.226 1.00 0.39 C ATOM 948 C ILE A 62 1.805 0.064 7.598 1.00 0.44 C ATOM 949 O ILE A 62 0.936 -0.302 8.400 1.00 0.46 O ATOM 950 CB ILE A 62 1.733 -0.320 5.060 1.00 0.47 C ATOM 951 CG1 ILE A 62 1.085 0.189 3.762 1.00 0.53 C ATOM 952 CG2 ILE A 62 1.225 -1.737 5.350 1.00 0.62 C ATOM 953 CD1 ILE A 62 1.653 -0.509 2.528 1.00 0.88 C ATOM 0 H ILE A 62 2.603 1.975 5.140 1.00 0.35 H new ATOM 0 HA ILE A 62 0.327 0.763 6.251 1.00 0.39 H new ATOM 0 HB ILE A 62 2.817 -0.350 4.946 1.00 0.47 H new ATOM 0 HG12 ILE A 62 0.008 0.027 3.807 1.00 0.53 H new ATOM 0 HG13 ILE A 62 1.243 1.264 3.675 1.00 0.53 H new ATOM 0 HG21 ILE A 62 1.467 -2.389 4.511 1.00 0.62 H new ATOM 0 HG22 ILE A 62 1.701 -2.116 6.254 1.00 0.62 H new ATOM 0 HG23 ILE A 62 0.144 -1.714 5.492 1.00 0.62 H new ATOM 0 HD11 ILE A 62 1.167 -0.119 1.634 1.00 0.88 H new ATOM 0 HD12 ILE A 62 2.726 -0.325 2.468 1.00 0.88 H new ATOM 0 HD13 ILE A 62 1.472 -1.581 2.601 1.00 0.88 H new ATOM 965 N GLU A 63 3.111 0.005 7.868 1.00 0.58 N ATOM 966 CA GLU A 63 3.663 -0.450 9.136 1.00 0.81 C ATOM 967 C GLU A 63 3.119 0.407 10.279 1.00 0.81 C ATOM 968 O GLU A 63 2.534 -0.103 11.232 1.00 0.89 O ATOM 969 CB GLU A 63 5.196 -0.375 9.072 1.00 1.13 C ATOM 970 CG GLU A 63 5.775 -1.375 8.058 1.00 1.16 C ATOM 971 CD GLU A 63 7.280 -1.213 7.880 1.00 1.89 C ATOM 972 OE1 GLU A 63 7.756 -0.064 8.007 1.00 2.80 O ATOM 973 OE2 GLU A 63 7.927 -2.244 7.598 1.00 2.86 O ATOM 0 H GLU A 63 3.825 0.279 7.194 1.00 0.58 H new ATOM 0 HA GLU A 63 3.368 -1.483 9.321 1.00 0.81 H new ATOM 0 HB2 GLU A 63 5.499 0.636 8.799 1.00 1.13 H new ATOM 0 HB3 GLU A 63 5.611 -0.577 10.059 1.00 1.13 H new ATOM 0 HG2 GLU A 63 5.558 -2.391 8.388 1.00 1.16 H new ATOM 0 HG3 GLU A 63 5.281 -1.240 7.096 1.00 1.16 H new ATOM 980 N SER A 64 3.308 1.722 10.165 1.00 0.77 N ATOM 981 CA SER A 64 2.925 2.704 11.166 1.00 0.84 C ATOM 982 C SER A 64 1.429 2.628 11.487 1.00 0.76 C ATOM 983 O SER A 64 1.042 2.871 12.628 1.00 0.92 O ATOM 984 CB SER A 64 3.355 4.100 10.693 1.00 0.88 C ATOM 985 OG SER A 64 3.058 5.093 11.659 1.00 1.03 O ATOM 0 H SER A 64 3.746 2.141 9.345 1.00 0.77 H new ATOM 0 HA SER A 64 3.440 2.485 12.102 1.00 0.84 H new ATOM 0 HB2 SER A 64 4.425 4.101 10.487 1.00 0.88 H new ATOM 0 HB3 SER A 64 2.850 4.339 9.757 1.00 0.88 H new ATOM 0 HG SER A 64 3.346 5.969 11.327 1.00 1.03 H new ATOM 991 N LEU A 65 0.580 2.325 10.502 1.00 0.62 N ATOM 992 CA LEU A 65 -0.829 2.064 10.742 1.00 0.56 C ATOM 993 C LEU A 65 -1.003 0.742 11.484 1.00 0.57 C ATOM 994 O LEU A 65 -1.665 0.712 12.521 1.00 0.83 O ATOM 995 CB LEU A 65 -1.610 2.051 9.420 1.00 0.63 C ATOM 996 CG LEU A 65 -2.303 3.387 9.115 1.00 0.91 C ATOM 997 CD1 LEU A 65 -1.359 4.593 9.127 1.00 2.37 C ATOM 998 CD2 LEU A 65 -2.967 3.276 7.740 1.00 1.78 C ATOM 0 H LEU A 65 0.855 2.256 9.522 1.00 0.62 H new ATOM 0 HA LEU A 65 -1.229 2.865 11.364 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -0.928 1.808 8.605 1.00 0.63 H new ATOM 0 HB3 LEU A 65 -2.359 1.260 9.456 1.00 0.63 H new ATOM 0 HG LEU A 65 -3.030 3.565 9.908 1.00 0.91 H new ATOM 0 HD11 LEU A 65 -1.923 5.499 8.903 1.00 2.37 H new ATOM 0 HD12 LEU A 65 -0.900 4.686 10.111 1.00 2.37 H new ATOM 0 HD13 LEU A 65 -0.582 4.454 8.375 1.00 2.37 H new ATOM 0 HD21 LEU A 65 -3.467 4.215 7.501 1.00 1.78 H new ATOM 0 HD22 LEU A 65 -2.209 3.066 6.986 1.00 1.78 H new ATOM 0 HD23 LEU A 65 -3.699 2.468 7.754 1.00 1.78 H new ATOM 1010 N GLY A 66 -0.513 -0.360 10.909 1.00 0.69 N ATOM 1011 CA GLY A 66 -0.714 -1.670 11.515 1.00 0.70 C ATOM 1012 C GLY A 66 0.257 -2.764 11.073 1.00 0.92 C ATOM 1013 O GLY A 66 0.583 -3.647 11.865 1.00 1.57 O ATOM 0 H GLY A 66 0.017 -0.368 10.038 1.00 0.69 H new ATOM 0 HA2 GLY A 66 -0.643 -1.563 12.597 1.00 0.70 H new ATOM 0 HA3 GLY A 66 -1.729 -2.000 11.293 1.00 0.70 H new ATOM 1017 N PHE A 67 0.576 -2.816 9.779 1.00 0.66 N ATOM 1018 CA PHE A 67 0.605 -4.092 9.071 1.00 0.50 C ATOM 1019 C PHE A 67 2.003 -4.419 8.558 1.00 0.70 C ATOM 1020 O PHE A 67 2.699 -3.528 8.079 1.00 1.40 O ATOM 1021 CB PHE A 67 -0.389 -3.999 7.908 1.00 0.48 C ATOM 1022 CG PHE A 67 -1.745 -3.450 8.305 1.00 0.49 C ATOM 1023 CD1 PHE A 67 -2.652 -4.276 8.990 1.00 1.90 C ATOM 1024 CD2 PHE A 67 -2.041 -2.084 8.132 1.00 1.74 C ATOM 1025 CE1 PHE A 67 -3.898 -3.772 9.399 1.00 1.98 C ATOM 1026 CE2 PHE A 67 -3.282 -1.576 8.551 1.00 1.70 C ATOM 1027 CZ PHE A 67 -4.231 -2.432 9.133 1.00 0.62 C ATOM 0 H PHE A 67 0.814 -2.004 9.210 1.00 0.66 H new ATOM 0 HA PHE A 67 0.327 -4.896 9.752 1.00 0.50 H new ATOM 0 HB2 PHE A 67 0.035 -3.365 7.129 1.00 0.48 H new ATOM 0 HB3 PHE A 67 -0.521 -4.991 7.475 1.00 0.48 H new ATOM 0 HD1 PHE A 67 -2.390 -5.302 9.203 1.00 1.90 H new ATOM 0 HD2 PHE A 67 -1.314 -1.427 7.677 1.00 1.74 H new ATOM 0 HE1 PHE A 67 -4.598 -4.412 9.916 1.00 1.98 H new ATOM 0 HE2 PHE A 67 -3.506 -0.527 8.425 1.00 1.70 H new ATOM 0 HZ PHE A 67 -5.216 -2.061 9.376 1.00 0.62 H new ATOM 1037 N GLU A 68 2.403 -5.694 8.596 1.00 0.41 N ATOM 1038 CA GLU A 68 3.669 -6.089 7.992 1.00 0.43 C ATOM 1039 C GLU A 68 3.423 -6.212 6.489 1.00 0.51 C ATOM 1040 O GLU A 68 2.303 -6.543 6.086 1.00 1.01 O ATOM 1041 CB GLU A 68 4.180 -7.422 8.554 1.00 0.60 C ATOM 1042 CG GLU A 68 3.994 -7.624 10.066 1.00 1.97 C ATOM 1043 CD GLU A 68 4.222 -9.082 10.438 1.00 2.55 C ATOM 1044 OE1 GLU A 68 5.055 -9.735 9.768 1.00 2.82 O ATOM 1045 OE2 GLU A 68 3.493 -9.582 11.320 1.00 3.69 O ATOM 0 H GLU A 68 1.878 -6.453 9.030 1.00 0.41 H new ATOM 0 HA GLU A 68 4.434 -5.345 8.215 1.00 0.43 H new ATOM 0 HB2 GLU A 68 3.672 -8.233 8.033 1.00 0.60 H new ATOM 0 HB3 GLU A 68 5.242 -7.510 8.322 1.00 0.60 H new ATOM 0 HG2 GLU A 68 4.691 -6.989 10.613 1.00 1.97 H new ATOM 0 HG3 GLU A 68 2.989 -7.320 10.359 1.00 1.97 H new ATOM 1052 N ALA A 69 4.442 -5.970 5.660 1.00 0.67 N ATOM 1053 CA ALA A 69 4.281 -5.990 4.215 1.00 0.81 C ATOM 1054 C ALA A 69 5.566 -6.406 3.502 1.00 0.79 C ATOM 1055 O ALA A 69 6.636 -6.458 4.106 1.00 1.09 O ATOM 1056 CB ALA A 69 3.812 -4.613 3.741 1.00 1.01 C ATOM 0 H ALA A 69 5.389 -5.758 5.973 1.00 0.67 H new ATOM 0 HA ALA A 69 3.529 -6.737 3.962 1.00 0.81 H new ATOM 0 HB1 ALA A 69 3.690 -4.623 2.658 1.00 1.01 H new ATOM 0 HB2 ALA A 69 2.859 -4.371 4.211 1.00 1.01 H new ATOM 0 HB3 ALA A 69 4.553 -3.862 4.016 1.00 1.01 H new ATOM 1062 N SER A 70 5.449 -6.763 2.219 1.00 0.65 N ATOM 1063 CA SER A 70 6.573 -7.193 1.396 1.00 0.68 C ATOM 1064 C SER A 70 6.253 -7.014 -0.089 1.00 0.67 C ATOM 1065 O SER A 70 5.197 -7.456 -0.510 1.00 0.60 O ATOM 1066 CB SER A 70 6.849 -8.662 1.724 1.00 0.78 C ATOM 1067 OG SER A 70 7.735 -8.721 2.825 1.00 1.40 O ATOM 0 H SER A 70 4.559 -6.760 1.721 1.00 0.65 H new ATOM 0 HA SER A 70 7.455 -6.589 1.608 1.00 0.68 H new ATOM 0 HB2 SER A 70 5.918 -9.178 1.960 1.00 0.78 H new ATOM 0 HB3 SER A 70 7.284 -9.167 0.861 1.00 0.78 H new ATOM 0 HG SER A 70 7.623 -7.920 3.378 1.00 1.40 H new ATOM 1073 N LEU A 71 7.138 -6.418 -0.894 1.00 0.90 N ATOM 1074 CA LEU A 71 6.992 -6.354 -2.355 1.00 1.05 C ATOM 1075 C LEU A 71 6.960 -7.783 -2.911 1.00 1.14 C ATOM 1076 O LEU A 71 7.850 -8.568 -2.593 1.00 1.57 O ATOM 1077 CB LEU A 71 8.186 -5.595 -2.962 1.00 1.46 C ATOM 1078 CG LEU A 71 8.552 -4.278 -2.251 1.00 1.08 C ATOM 1079 CD1 LEU A 71 9.558 -3.500 -3.106 1.00 1.77 C ATOM 1080 CD2 LEU A 71 7.322 -3.405 -2.002 1.00 2.55 C ATOM 0 H LEU A 71 7.983 -5.962 -0.549 1.00 0.90 H new ATOM 0 HA LEU A 71 6.069 -5.833 -2.611 1.00 1.05 H new ATOM 0 HB2 LEU A 71 9.057 -6.250 -2.951 1.00 1.46 H new ATOM 0 HB3 LEU A 71 7.965 -5.377 -4.007 1.00 1.46 H new ATOM 0 HG LEU A 71 8.987 -4.531 -1.284 1.00 1.08 H new ATOM 0 HD11 LEU A 71 9.818 -2.568 -2.604 1.00 1.77 H new ATOM 0 HD12 LEU A 71 10.457 -4.100 -3.246 1.00 1.77 H new ATOM 0 HD13 LEU A 71 9.115 -3.278 -4.077 1.00 1.77 H new ATOM 0 HD21 LEU A 71 7.624 -2.486 -1.499 1.00 2.55 H new ATOM 0 HD22 LEU A 71 6.851 -3.160 -2.954 1.00 2.55 H new ATOM 0 HD23 LEU A 71 6.613 -3.946 -1.375 1.00 2.55 H new ATOM 1092 N VAL A 72 5.960 -8.124 -3.733 1.00 1.10 N ATOM 1093 CA VAL A 72 5.852 -9.438 -4.371 1.00 1.22 C ATOM 1094 C VAL A 72 5.744 -9.328 -5.893 1.00 1.66 C ATOM 1095 O VAL A 72 5.245 -10.245 -6.542 1.00 3.05 O ATOM 1096 CB VAL A 72 4.675 -10.227 -3.771 1.00 1.20 C ATOM 1097 CG1 VAL A 72 4.936 -10.485 -2.289 1.00 1.13 C ATOM 1098 CG2 VAL A 72 3.326 -9.513 -3.945 1.00 1.39 C ATOM 0 H VAL A 72 5.198 -7.490 -3.975 1.00 1.10 H new ATOM 0 HA VAL A 72 6.771 -9.988 -4.167 1.00 1.22 H new ATOM 0 HB VAL A 72 4.608 -11.169 -4.316 1.00 1.20 H new ATOM 0 HG11 VAL A 72 4.102 -11.044 -1.865 1.00 1.13 H new ATOM 0 HG12 VAL A 72 5.854 -11.062 -2.176 1.00 1.13 H new ATOM 0 HG13 VAL A 72 5.039 -9.534 -1.767 1.00 1.13 H new ATOM 0 HG21 VAL A 72 2.535 -10.118 -3.502 1.00 1.39 H new ATOM 0 HG22 VAL A 72 3.361 -8.543 -3.450 1.00 1.39 H new ATOM 0 HG23 VAL A 72 3.123 -9.371 -5.007 1.00 1.39 H new