USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 24 SER OG : rot -99:sc= 0.412 USER MOD Set 1.2: A 27 THR OG1 : rot 100:sc= -0.312 USER MOD Single : A 1 ALA N :NH3+ -176:sc= 0.187 (180deg=0.0504) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -52:sc= 1.11 USER MOD Single : A 10 TYR OH : rot -33:sc= 0.398 USER MOD Single : A 12 TYR OH : rot 163:sc= 0.339 USER MOD Single : A 21 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.487 USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -2.31! (180deg=-3.09) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00785 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.704 -8.300 -3.675 1.00 0.00 N ATOM 2 CA ALA A 1 2.747 -7.243 -3.812 1.00 0.00 C ATOM 3 C ALA A 1 2.515 -6.133 -2.783 1.00 0.00 C ATOM 4 O ALA A 1 1.391 -5.832 -2.423 1.00 0.00 O ATOM 5 CB ALA A 1 2.582 -6.702 -5.231 1.00 0.00 C ATOM 0 H1 ALA A 1 1.911 -9.079 -4.332 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.701 -8.661 -2.700 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.771 -7.898 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 1 3.751 -7.631 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.317 -5.917 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.732 -7.509 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.579 -6.293 -5.350 1.00 0.00 H new ATOM 13 N LYS A 2 3.574 -5.530 -2.305 1.00 0.00 N ATOM 14 CA LYS A 2 3.432 -4.443 -1.294 1.00 0.00 C ATOM 15 C LYS A 2 3.284 -3.075 -1.981 1.00 0.00 C ATOM 16 O LYS A 2 3.813 -2.847 -3.052 1.00 0.00 O ATOM 17 CB LYS A 2 4.720 -4.523 -0.456 1.00 0.00 C ATOM 18 CG LYS A 2 5.940 -4.077 -1.279 1.00 0.00 C ATOM 19 CD LYS A 2 7.210 -4.193 -0.424 1.00 0.00 C ATOM 20 CE LYS A 2 8.027 -5.409 -0.871 1.00 0.00 C ATOM 21 NZ LYS A 2 9.106 -4.851 -1.734 1.00 0.00 N ATOM 0 H LYS A 2 4.534 -5.746 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 2 2.541 -4.559 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.623 -3.893 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.867 -5.544 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.034 -4.694 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.808 -3.048 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.808 -3.287 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.943 -4.289 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.442 -5.942 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.409 -6.119 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.709 -5.625 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.681 -4.355 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.682 -4.183 -1.182 1.00 0.00 H new ATOM 35 N TRP A 3 2.566 -2.170 -1.365 1.00 0.00 N ATOM 36 CA TRP A 3 2.376 -0.812 -1.964 1.00 0.00 C ATOM 37 C TRP A 3 3.037 0.250 -1.079 1.00 0.00 C ATOM 38 O TRP A 3 3.497 -0.042 0.006 1.00 0.00 O ATOM 39 CB TRP A 3 0.859 -0.610 -1.999 1.00 0.00 C ATOM 40 CG TRP A 3 0.287 -1.380 -3.141 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.337 -2.724 -3.295 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.420 -0.863 -4.291 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.304 -3.059 -4.477 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.789 -1.940 -5.127 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.768 0.433 -4.677 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.490 -1.731 -6.315 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.473 0.654 -5.872 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.835 -0.428 -6.689 1.00 0.00 C ATOM 0 H TRP A 3 2.101 -2.313 -0.469 1.00 0.00 H new ATOM 0 HA TRP A 3 2.824 -0.726 -2.954 1.00 0.00 H new ATOM 0 HB2 TRP A 3 0.414 -0.943 -1.061 1.00 0.00 H new ATOM 0 HB3 TRP A 3 0.624 0.449 -2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.800 -3.420 -2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.405 -4.013 -4.824 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.494 1.271 -4.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.764 -2.568 -6.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.737 1.660 -6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.379 -0.255 -7.606 1.00 0.00 H new ATOM 59 N VAL A 4 3.083 1.479 -1.532 1.00 0.00 N ATOM 60 CA VAL A 4 3.707 2.558 -0.705 1.00 0.00 C ATOM 61 C VAL A 4 2.773 3.766 -0.617 1.00 0.00 C ATOM 62 O VAL A 4 2.108 4.124 -1.571 1.00 0.00 O ATOM 63 CB VAL A 4 5.014 2.930 -1.417 1.00 0.00 C ATOM 64 CG1 VAL A 4 4.715 3.406 -2.843 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.723 4.051 -0.640 1.00 0.00 C ATOM 0 H VAL A 4 2.717 1.781 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 4 3.894 2.227 0.316 1.00 0.00 H new ATOM 0 HB VAL A 4 5.659 2.052 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.648 3.668 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.219 2.608 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.065 4.280 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.651 4.314 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.075 4.926 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.946 3.709 0.370 1.00 0.00 H new ATOM 75 N LEU A 5 2.729 4.391 0.526 1.00 0.00 N ATOM 76 CA LEU A 5 1.855 5.578 0.706 1.00 0.00 C ATOM 77 C LEU A 5 2.720 6.839 0.831 1.00 0.00 C ATOM 78 O LEU A 5 3.515 6.968 1.741 1.00 0.00 O ATOM 79 CB LEU A 5 1.098 5.301 2.007 1.00 0.00 C ATOM 80 CG LEU A 5 -0.375 5.684 1.858 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.089 5.450 3.189 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.496 7.163 1.479 1.00 0.00 C ATOM 0 H LEU A 5 3.268 4.125 1.350 1.00 0.00 H new ATOM 0 HA LEU A 5 1.176 5.742 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.182 4.246 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.547 5.866 2.824 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.827 5.074 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.140 5.721 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.010 4.398 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.627 6.064 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.548 7.427 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.043 7.776 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.017 7.340 0.534 1.00 0.00 H new ATOM 94 N LYS A 6 2.576 7.759 -0.090 1.00 0.00 N ATOM 95 CA LYS A 6 3.396 9.017 -0.051 1.00 0.00 C ATOM 96 C LYS A 6 3.292 9.713 1.313 1.00 0.00 C ATOM 97 O LYS A 6 4.161 10.476 1.692 1.00 0.00 O ATOM 98 CB LYS A 6 2.808 9.909 -1.146 1.00 0.00 C ATOM 99 CG LYS A 6 3.095 9.296 -2.518 1.00 0.00 C ATOM 100 CD LYS A 6 4.373 9.908 -3.096 1.00 0.00 C ATOM 101 CE LYS A 6 4.650 9.304 -4.475 1.00 0.00 C ATOM 102 NZ LYS A 6 5.792 10.091 -5.016 1.00 0.00 N ATOM 0 H LYS A 6 1.924 7.696 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 6 4.454 8.806 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.733 10.017 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.239 10.908 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.205 8.215 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.257 9.476 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.267 10.990 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.214 9.718 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.900 8.246 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.776 9.380 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.041 9.736 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.522 11.093 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.611 9.994 -4.383 1.00 0.00 H new ATOM 116 N ILE A 7 2.235 9.466 2.045 1.00 0.00 N ATOM 117 CA ILE A 7 2.073 10.125 3.380 1.00 0.00 C ATOM 118 C ILE A 7 3.233 9.746 4.314 1.00 0.00 C ATOM 119 O ILE A 7 3.928 10.608 4.819 1.00 0.00 O ATOM 120 CB ILE A 7 0.728 9.616 3.921 1.00 0.00 C ATOM 121 CG1 ILE A 7 -0.409 10.097 3.001 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.493 10.146 5.343 1.00 0.00 C ATOM 123 CD1 ILE A 7 -0.458 11.632 2.960 1.00 0.00 C ATOM 0 H ILE A 7 1.477 8.838 1.778 1.00 0.00 H new ATOM 0 HA ILE A 7 2.086 11.212 3.307 1.00 0.00 H new ATOM 0 HB ILE A 7 0.746 8.526 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.260 9.705 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.362 9.707 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.463 9.778 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.294 9.801 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.481 11.236 5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.268 11.953 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.630 12.018 3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.489 12.016 2.581 1.00 0.00 H new ATOM 135 N THR A 8 3.443 8.472 4.558 1.00 0.00 N ATOM 136 CA THR A 8 4.557 8.064 5.473 1.00 0.00 C ATOM 137 C THR A 8 5.174 6.726 5.044 1.00 0.00 C ATOM 138 O THR A 8 5.564 5.925 5.875 1.00 0.00 O ATOM 139 CB THR A 8 3.912 7.940 6.859 1.00 0.00 C ATOM 140 OG1 THR A 8 4.894 7.523 7.797 1.00 0.00 O ATOM 141 CG2 THR A 8 2.773 6.915 6.824 1.00 0.00 C ATOM 0 H THR A 8 2.897 7.705 4.167 1.00 0.00 H new ATOM 0 HA THR A 8 5.370 8.790 5.459 1.00 0.00 H new ATOM 0 HB THR A 8 3.507 8.909 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.349 6.723 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.324 6.836 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.017 7.235 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.167 5.943 6.526 1.00 0.00 H new ATOM 149 N GLY A 9 5.276 6.481 3.762 1.00 0.00 N ATOM 150 CA GLY A 9 5.879 5.201 3.286 1.00 0.00 C ATOM 151 C GLY A 9 5.087 4.001 3.818 1.00 0.00 C ATOM 152 O GLY A 9 5.585 2.892 3.847 1.00 0.00 O ATOM 0 H GLY A 9 4.967 7.114 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.891 5.181 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.915 5.135 3.617 1.00 0.00 H new ATOM 156 N TYR A 10 3.852 4.203 4.224 1.00 0.00 N ATOM 157 CA TYR A 10 3.030 3.056 4.736 1.00 0.00 C ATOM 158 C TYR A 10 2.933 1.987 3.630 1.00 0.00 C ATOM 159 O TYR A 10 3.254 2.252 2.486 1.00 0.00 O ATOM 160 CB TYR A 10 1.658 3.679 5.082 1.00 0.00 C ATOM 161 CG TYR A 10 0.570 2.625 5.123 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.044 2.230 3.934 1.00 0.00 C ATOM 163 CD2 TYR A 10 0.180 2.051 6.339 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.048 1.261 3.950 1.00 0.00 C ATOM 165 CE2 TYR A 10 -0.828 1.078 6.359 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.442 0.684 5.163 1.00 0.00 C ATOM 167 OH TYR A 10 -2.435 -0.274 5.181 1.00 0.00 O ATOM 0 H TYR A 10 3.380 5.107 4.223 1.00 0.00 H new ATOM 0 HA TYR A 10 3.452 2.560 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.717 4.181 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.404 4.438 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.259 2.676 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.655 2.357 7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.520 0.957 3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.131 0.632 7.295 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.089 -0.080 4.477 1.00 0.00 H new ATOM 177 N ILE A 11 2.522 0.785 3.963 1.00 0.00 N ATOM 178 CA ILE A 11 2.444 -0.279 2.917 1.00 0.00 C ATOM 179 C ILE A 11 1.218 -1.176 3.094 1.00 0.00 C ATOM 180 O ILE A 11 0.588 -1.217 4.133 1.00 0.00 O ATOM 181 CB ILE A 11 3.730 -1.100 3.099 1.00 0.00 C ATOM 182 CG1 ILE A 11 4.938 -0.189 2.826 1.00 0.00 C ATOM 183 CG2 ILE A 11 3.741 -2.305 2.132 1.00 0.00 C ATOM 184 CD1 ILE A 11 6.229 -1.006 2.870 1.00 0.00 C ATOM 0 H ILE A 11 2.241 0.500 4.901 1.00 0.00 H new ATOM 0 HA ILE A 11 2.351 0.156 1.922 1.00 0.00 H new ATOM 0 HB ILE A 11 3.779 -1.484 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.832 0.287 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.977 0.609 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.658 -2.876 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.881 -2.943 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.691 -1.947 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.080 -0.353 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.338 -1.461 3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.191 -1.788 2.111 1.00 0.00 H new ATOM 196 N TYR A 12 0.930 -1.928 2.072 1.00 0.00 N ATOM 197 CA TYR A 12 -0.198 -2.894 2.112 1.00 0.00 C ATOM 198 C TYR A 12 0.354 -4.266 1.725 1.00 0.00 C ATOM 199 O TYR A 12 0.713 -4.493 0.582 1.00 0.00 O ATOM 200 CB TYR A 12 -1.225 -2.398 1.074 1.00 0.00 C ATOM 201 CG TYR A 12 -2.296 -3.455 0.841 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.277 -3.693 1.812 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.298 -4.199 -0.348 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.258 -4.673 1.592 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.279 -5.178 -0.565 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.256 -5.413 0.407 1.00 0.00 C ATOM 207 OH TYR A 12 -5.224 -6.374 0.195 1.00 0.00 O ATOM 0 H TYR A 12 1.442 -1.913 1.190 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.666 -2.971 3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.687 -1.474 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.721 -2.168 0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.279 -3.123 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.543 -4.018 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.015 -4.855 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.280 -5.749 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.258 -6.600 -0.758 1.00 0.00 H new ATOM 217 N ASP A 13 0.428 -5.171 2.660 1.00 0.00 N ATOM 218 CA ASP A 13 0.960 -6.526 2.339 1.00 0.00 C ATOM 219 C ASP A 13 -0.138 -7.340 1.656 1.00 0.00 C ATOM 220 O ASP A 13 -0.818 -8.136 2.272 1.00 0.00 O ATOM 221 CB ASP A 13 1.354 -7.143 3.689 1.00 0.00 C ATOM 222 CG ASP A 13 0.146 -7.201 4.639 1.00 0.00 C ATOM 223 OD1 ASP A 13 -0.899 -6.674 4.289 1.00 0.00 O ATOM 224 OD2 ASP A 13 0.290 -7.777 5.705 1.00 0.00 O ATOM 0 H ASP A 13 0.144 -5.033 3.630 1.00 0.00 H new ATOM 0 HA ASP A 13 1.815 -6.499 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.748 -8.147 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.151 -6.555 4.143 1.00 0.00 H new ATOM 229 N GLU A 14 -0.318 -7.131 0.372 1.00 0.00 N ATOM 230 CA GLU A 14 -1.380 -7.869 -0.389 1.00 0.00 C ATOM 231 C GLU A 14 -1.318 -9.376 -0.114 1.00 0.00 C ATOM 232 O GLU A 14 -2.313 -10.067 -0.218 1.00 0.00 O ATOM 233 CB GLU A 14 -1.095 -7.570 -1.865 1.00 0.00 C ATOM 234 CG GLU A 14 -2.220 -8.134 -2.726 1.00 0.00 C ATOM 235 CD GLU A 14 -1.643 -8.688 -4.031 1.00 0.00 C ATOM 236 OE1 GLU A 14 -0.771 -8.043 -4.591 1.00 0.00 O ATOM 237 OE2 GLU A 14 -2.084 -9.745 -4.450 1.00 0.00 O ATOM 0 H GLU A 14 0.229 -6.476 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.380 -7.552 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.010 -6.494 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.142 -8.011 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.744 -8.922 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.951 -7.355 -2.942 1.00 0.00 H new ATOM 244 N ASP A 15 -0.169 -9.885 0.265 1.00 0.00 N ATOM 245 CA ASP A 15 -0.066 -11.343 0.579 1.00 0.00 C ATOM 246 C ASP A 15 -0.965 -11.657 1.779 1.00 0.00 C ATOM 247 O ASP A 15 -1.496 -12.744 1.907 1.00 0.00 O ATOM 248 CB ASP A 15 1.404 -11.581 0.929 1.00 0.00 C ATOM 249 CG ASP A 15 2.234 -11.627 -0.354 1.00 0.00 C ATOM 250 OD1 ASP A 15 1.819 -12.303 -1.281 1.00 0.00 O ATOM 251 OD2 ASP A 15 3.271 -10.985 -0.389 1.00 0.00 O ATOM 0 H ASP A 15 0.697 -9.356 0.370 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.381 -11.978 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.767 -10.786 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.511 -12.517 1.478 1.00 0.00 H new ATOM 256 N ALA A 16 -1.142 -10.695 2.650 1.00 0.00 N ATOM 257 CA ALA A 16 -2.010 -10.897 3.845 1.00 0.00 C ATOM 258 C ALA A 16 -3.269 -10.036 3.716 1.00 0.00 C ATOM 259 O ALA A 16 -4.332 -10.402 4.177 1.00 0.00 O ATOM 260 CB ALA A 16 -1.167 -10.427 5.031 1.00 0.00 C ATOM 0 H ALA A 16 -0.717 -9.770 2.581 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.330 -11.933 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.738 -10.544 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.257 -11.024 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.905 -9.378 4.898 1.00 0.00 H new ATOM 266 N GLY A 17 -3.147 -8.892 3.093 1.00 0.00 N ATOM 267 CA GLY A 17 -4.325 -7.991 2.926 1.00 0.00 C ATOM 268 C GLY A 17 -4.287 -6.893 3.988 1.00 0.00 C ATOM 269 O GLY A 17 -3.530 -5.947 3.887 1.00 0.00 O ATOM 0 H GLY A 17 -2.277 -8.542 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.318 -7.548 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.248 -8.563 3.014 1.00 0.00 H new ATOM 273 N ASP A 18 -5.098 -7.012 5.009 1.00 0.00 N ATOM 274 CA ASP A 18 -5.121 -5.976 6.086 1.00 0.00 C ATOM 275 C ASP A 18 -6.051 -6.420 7.224 1.00 0.00 C ATOM 276 O ASP A 18 -7.221 -6.096 7.220 1.00 0.00 O ATOM 277 CB ASP A 18 -5.668 -4.704 5.426 1.00 0.00 C ATOM 278 CG ASP A 18 -5.091 -3.477 6.133 1.00 0.00 C ATOM 279 OD1 ASP A 18 -5.079 -3.471 7.354 1.00 0.00 O ATOM 280 OD2 ASP A 18 -4.671 -2.563 5.442 1.00 0.00 O ATOM 0 H ASP A 18 -5.748 -7.786 5.143 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.131 -5.816 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.403 -4.687 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.756 -4.691 5.482 1.00 0.00 H new ATOM 285 N PRO A 19 -5.503 -7.144 8.174 1.00 0.00 N ATOM 286 CA PRO A 19 -6.315 -7.614 9.324 1.00 0.00 C ATOM 287 C PRO A 19 -6.786 -6.425 10.172 1.00 0.00 C ATOM 288 O PRO A 19 -7.732 -6.535 10.928 1.00 0.00 O ATOM 289 CB PRO A 19 -5.355 -8.517 10.099 1.00 0.00 C ATOM 290 CG PRO A 19 -3.994 -8.047 9.708 1.00 0.00 C ATOM 291 CD PRO A 19 -4.104 -7.586 8.279 1.00 0.00 C ATOM 0 HA PRO A 19 -7.223 -8.138 9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.510 -8.430 11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.501 -9.566 9.840 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.662 -7.235 10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.263 -8.850 9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.408 -6.775 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.883 -8.391 7.578 1.00 0.00 H new ATOM 299 N ASP A 20 -6.145 -5.286 10.040 1.00 0.00 N ATOM 300 CA ASP A 20 -6.572 -4.090 10.824 1.00 0.00 C ATOM 301 C ASP A 20 -7.786 -3.444 10.150 1.00 0.00 C ATOM 302 O ASP A 20 -8.668 -2.923 10.806 1.00 0.00 O ATOM 303 CB ASP A 20 -5.375 -3.140 10.793 1.00 0.00 C ATOM 304 CG ASP A 20 -4.520 -3.349 12.045 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.309 -4.495 12.408 1.00 0.00 O ATOM 306 OD2 ASP A 20 -4.093 -2.362 12.618 1.00 0.00 O ATOM 0 H ASP A 20 -5.346 -5.137 9.423 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.859 -4.341 11.845 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.778 -3.320 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.719 -2.107 10.744 1.00 0.00 H new ATOM 311 N ASN A 21 -7.833 -3.482 8.841 1.00 0.00 N ATOM 312 CA ASN A 21 -8.987 -2.880 8.106 1.00 0.00 C ATOM 313 C ASN A 21 -10.093 -3.921 7.883 1.00 0.00 C ATOM 314 O ASN A 21 -11.016 -3.691 7.124 1.00 0.00 O ATOM 315 CB ASN A 21 -8.404 -2.430 6.760 1.00 0.00 C ATOM 316 CG ASN A 21 -7.602 -1.143 6.954 1.00 0.00 C ATOM 317 OD1 ASN A 21 -6.462 -1.057 6.543 1.00 0.00 O ATOM 318 ND2 ASN A 21 -8.151 -0.131 7.568 1.00 0.00 N ATOM 0 H ASN A 21 -7.119 -3.906 8.249 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.438 -2.057 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.764 -3.211 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.207 -2.266 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.623 0.731 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.108 -0.202 7.913 1.00 0.00 H new ATOM 325 N GLY A 22 -10.011 -5.072 8.524 1.00 0.00 N ATOM 326 CA GLY A 22 -11.062 -6.124 8.330 1.00 0.00 C ATOM 327 C GLY A 22 -11.191 -6.435 6.837 1.00 0.00 C ATOM 328 O GLY A 22 -12.257 -6.322 6.260 1.00 0.00 O ATOM 0 H GLY A 22 -9.263 -5.324 9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.796 -7.027 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.017 -5.779 8.726 1.00 0.00 H new ATOM 332 N ILE A 23 -10.103 -6.796 6.208 1.00 0.00 N ATOM 333 CA ILE A 23 -10.143 -7.082 4.744 1.00 0.00 C ATOM 334 C ILE A 23 -9.900 -8.567 4.462 1.00 0.00 C ATOM 335 O ILE A 23 -9.457 -9.315 5.312 1.00 0.00 O ATOM 336 CB ILE A 23 -9.019 -6.223 4.148 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.275 -4.737 4.459 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.958 -6.425 2.631 1.00 0.00 C ATOM 339 CD1 ILE A 23 -10.631 -4.298 3.885 1.00 0.00 C ATOM 0 H ILE A 23 -9.188 -6.905 6.646 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.116 -6.850 4.311 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.070 -6.526 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.259 -4.576 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.478 -4.127 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.158 -5.813 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.763 -7.475 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.909 -6.132 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.799 -3.245 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.632 -4.440 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.426 -4.897 4.330 1.00 0.00 H new ATOM 351 N SER A 24 -10.194 -8.982 3.259 1.00 0.00 N ATOM 352 CA SER A 24 -9.993 -10.412 2.874 1.00 0.00 C ATOM 353 C SER A 24 -8.494 -10.762 2.903 1.00 0.00 C ATOM 354 O SER A 24 -7.671 -9.946 2.540 1.00 0.00 O ATOM 355 CB SER A 24 -10.545 -10.508 1.448 1.00 0.00 C ATOM 356 OG SER A 24 -9.989 -11.642 0.795 1.00 0.00 O ATOM 0 H SER A 24 -10.568 -8.388 2.519 1.00 0.00 H new ATOM 0 HA SER A 24 -10.490 -11.104 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.632 -10.587 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.304 -9.602 0.892 1.00 0.00 H new ATOM 0 HG SER A 24 -9.241 -11.359 0.228 1.00 0.00 H new ATOM 362 N PRO A 25 -8.177 -11.969 3.329 1.00 0.00 N ATOM 363 CA PRO A 25 -6.755 -12.391 3.385 1.00 0.00 C ATOM 364 C PRO A 25 -6.234 -12.665 1.972 1.00 0.00 C ATOM 365 O PRO A 25 -6.793 -13.465 1.245 1.00 0.00 O ATOM 366 CB PRO A 25 -6.788 -13.673 4.211 1.00 0.00 C ATOM 367 CG PRO A 25 -8.171 -14.213 4.040 1.00 0.00 C ATOM 368 CD PRO A 25 -9.081 -13.037 3.789 1.00 0.00 C ATOM 0 HA PRO A 25 -6.098 -11.636 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.041 -14.386 3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.571 -13.471 5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.210 -14.914 3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.484 -14.758 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.835 -13.271 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.613 -12.745 4.695 1.00 0.00 H new ATOM 376 N GLY A 26 -5.180 -11.996 1.570 1.00 0.00 N ATOM 377 CA GLY A 26 -4.641 -12.209 0.197 1.00 0.00 C ATOM 378 C GLY A 26 -5.549 -11.487 -0.792 1.00 0.00 C ATOM 379 O GLY A 26 -6.249 -12.101 -1.575 1.00 0.00 O ATOM 0 H GLY A 26 -4.673 -11.314 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.623 -11.827 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.599 -13.274 -0.033 1.00 0.00 H new ATOM 383 N THR A 27 -5.555 -10.182 -0.741 1.00 0.00 N ATOM 384 CA THR A 27 -6.431 -9.393 -1.653 1.00 0.00 C ATOM 385 C THR A 27 -5.592 -8.416 -2.483 1.00 0.00 C ATOM 386 O THR A 27 -4.883 -7.587 -1.947 1.00 0.00 O ATOM 387 CB THR A 27 -7.381 -8.649 -0.693 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.346 -9.563 -0.195 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.101 -7.496 -1.409 1.00 0.00 C ATOM 0 H THR A 27 -4.987 -9.626 -0.102 1.00 0.00 H new ATOM 0 HA THR A 27 -6.971 -10.007 -2.373 1.00 0.00 H new ATOM 0 HB THR A 27 -6.791 -8.233 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.088 -9.853 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.764 -6.990 -0.708 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.365 -6.787 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.686 -7.892 -2.239 1.00 0.00 H new ATOM 397 N LYS A 28 -5.693 -8.495 -3.788 1.00 0.00 N ATOM 398 CA LYS A 28 -4.930 -7.558 -4.663 1.00 0.00 C ATOM 399 C LYS A 28 -5.307 -6.114 -4.313 1.00 0.00 C ATOM 400 O LYS A 28 -6.463 -5.744 -4.386 1.00 0.00 O ATOM 401 CB LYS A 28 -5.369 -7.891 -6.093 1.00 0.00 C ATOM 402 CG LYS A 28 -4.322 -8.790 -6.757 1.00 0.00 C ATOM 403 CD LYS A 28 -4.436 -10.208 -6.195 1.00 0.00 C ATOM 404 CE LYS A 28 -5.561 -10.954 -6.916 1.00 0.00 C ATOM 405 NZ LYS A 28 -4.901 -11.614 -8.077 1.00 0.00 N ATOM 0 H LYS A 28 -6.274 -9.171 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.851 -7.658 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.337 -8.392 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.493 -6.974 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.470 -8.802 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.322 -8.396 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.493 -10.739 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.637 -10.171 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.033 -11.686 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.343 -10.269 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.609 -12.147 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.467 -10.892 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.166 -12.265 -7.734 1.00 0.00 H new ATOM 419 N PHE A 29 -4.350 -5.299 -3.912 1.00 0.00 N ATOM 420 CA PHE A 29 -4.668 -3.873 -3.538 1.00 0.00 C ATOM 421 C PHE A 29 -5.573 -3.209 -4.590 1.00 0.00 C ATOM 422 O PHE A 29 -6.584 -2.616 -4.261 1.00 0.00 O ATOM 423 CB PHE A 29 -3.312 -3.160 -3.477 1.00 0.00 C ATOM 424 CG PHE A 29 -3.526 -1.713 -3.092 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.557 -1.341 -1.743 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.711 -0.747 -4.089 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.771 -0.006 -1.389 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.926 0.591 -3.735 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.957 0.960 -2.384 1.00 0.00 C ATOM 0 H PHE A 29 -3.367 -5.558 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.206 -3.821 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.663 -3.649 -2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.812 -3.221 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.415 -2.087 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.688 -1.034 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.793 0.280 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.068 1.337 -4.503 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.125 1.991 -2.110 1.00 0.00 H new ATOM 439 N GLU A 30 -5.219 -3.313 -5.843 1.00 0.00 N ATOM 440 CA GLU A 30 -6.061 -2.697 -6.914 1.00 0.00 C ATOM 441 C GLU A 30 -7.479 -3.288 -6.890 1.00 0.00 C ATOM 442 O GLU A 30 -8.410 -2.698 -7.404 1.00 0.00 O ATOM 443 CB GLU A 30 -5.358 -3.042 -8.223 1.00 0.00 C ATOM 444 CG GLU A 30 -4.485 -1.865 -8.664 1.00 0.00 C ATOM 445 CD GLU A 30 -5.378 -0.716 -9.137 1.00 0.00 C ATOM 446 OE1 GLU A 30 -6.156 -0.936 -10.051 1.00 0.00 O ATOM 447 OE2 GLU A 30 -5.270 0.361 -8.577 1.00 0.00 O ATOM 0 H GLU A 30 -4.384 -3.797 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.167 -1.620 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.745 -3.934 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.094 -3.270 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.857 -1.535 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.817 -2.175 -9.468 1.00 0.00 H new ATOM 454 N GLU A 31 -7.647 -4.445 -6.293 1.00 0.00 N ATOM 455 CA GLU A 31 -9.003 -5.072 -6.233 1.00 0.00 C ATOM 456 C GLU A 31 -9.824 -4.456 -5.095 1.00 0.00 C ATOM 457 O GLU A 31 -11.036 -4.387 -5.165 1.00 0.00 O ATOM 458 CB GLU A 31 -8.745 -6.554 -5.968 1.00 0.00 C ATOM 459 CG GLU A 31 -10.009 -7.354 -6.291 1.00 0.00 C ATOM 460 CD GLU A 31 -9.618 -8.741 -6.808 1.00 0.00 C ATOM 461 OE1 GLU A 31 -8.665 -8.822 -7.565 1.00 0.00 O ATOM 462 OE2 GLU A 31 -10.280 -9.697 -6.438 1.00 0.00 O ATOM 0 H GLU A 31 -6.903 -4.980 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.569 -4.916 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.913 -6.905 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.462 -6.705 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.630 -7.448 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.603 -6.829 -7.040 1.00 0.00 H new ATOM 469 N LEU A 32 -9.171 -4.004 -4.051 1.00 0.00 N ATOM 470 CA LEU A 32 -9.913 -3.385 -2.904 1.00 0.00 C ATOM 471 C LEU A 32 -10.741 -2.186 -3.403 1.00 0.00 C ATOM 472 O LEU A 32 -10.369 -1.547 -4.367 1.00 0.00 O ATOM 473 CB LEU A 32 -8.832 -2.922 -1.923 1.00 0.00 C ATOM 474 CG LEU A 32 -8.544 -4.027 -0.904 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.354 -3.620 -0.031 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.774 -4.252 -0.020 1.00 0.00 C ATOM 0 H LEU A 32 -8.157 -4.036 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.606 -4.084 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.921 -2.669 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.158 -2.018 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.309 -4.951 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.149 -4.407 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.477 -3.469 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.588 -2.694 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.563 -5.040 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.016 -3.330 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.620 -4.547 -0.641 1.00 0.00 H new ATOM 488 N PRO A 33 -11.848 -1.918 -2.742 1.00 0.00 N ATOM 489 CA PRO A 33 -12.714 -0.792 -3.158 1.00 0.00 C ATOM 490 C PRO A 33 -12.174 0.535 -2.618 1.00 0.00 C ATOM 491 O PRO A 33 -11.204 0.570 -1.885 1.00 0.00 O ATOM 492 CB PRO A 33 -14.060 -1.122 -2.523 1.00 0.00 C ATOM 493 CG PRO A 33 -13.749 -1.995 -1.345 1.00 0.00 C ATOM 494 CD PRO A 33 -12.392 -2.619 -1.568 1.00 0.00 C ATOM 0 HA PRO A 33 -12.770 -0.678 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.579 -0.215 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.711 -1.636 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.752 -1.409 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.509 -2.768 -1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.749 -2.491 -0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.474 -3.691 -1.749 1.00 0.00 H new ATOM 502 N ASP A 34 -12.803 1.627 -2.975 1.00 0.00 N ATOM 503 CA ASP A 34 -12.339 2.960 -2.484 1.00 0.00 C ATOM 504 C ASP A 34 -12.641 3.121 -0.991 1.00 0.00 C ATOM 505 O ASP A 34 -12.100 3.993 -0.338 1.00 0.00 O ATOM 506 CB ASP A 34 -13.116 3.989 -3.307 1.00 0.00 C ATOM 507 CG ASP A 34 -12.673 3.914 -4.770 1.00 0.00 C ATOM 508 OD1 ASP A 34 -12.811 2.853 -5.356 1.00 0.00 O ATOM 509 OD2 ASP A 34 -12.204 4.919 -5.278 1.00 0.00 O ATOM 0 H ASP A 34 -13.619 1.652 -3.586 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.262 3.081 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.186 3.798 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.942 4.991 -2.914 1.00 0.00 H new ATOM 514 N ASP A 35 -13.483 2.278 -0.440 1.00 0.00 N ATOM 515 CA ASP A 35 -13.795 2.379 1.017 1.00 0.00 C ATOM 516 C ASP A 35 -12.570 1.984 1.858 1.00 0.00 C ATOM 517 O ASP A 35 -12.563 2.157 3.062 1.00 0.00 O ATOM 518 CB ASP A 35 -14.942 1.396 1.253 1.00 0.00 C ATOM 519 CG ASP A 35 -16.235 1.966 0.668 1.00 0.00 C ATOM 520 OD1 ASP A 35 -16.280 2.165 -0.535 1.00 0.00 O ATOM 521 OD2 ASP A 35 -17.158 2.194 1.432 1.00 0.00 O ATOM 0 H ASP A 35 -13.965 1.528 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.063 3.395 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.713 0.436 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.064 1.213 2.321 1.00 0.00 H new ATOM 526 N TRP A 36 -11.534 1.456 1.238 1.00 0.00 N ATOM 527 CA TRP A 36 -10.324 1.056 2.013 1.00 0.00 C ATOM 528 C TRP A 36 -9.319 2.215 2.059 1.00 0.00 C ATOM 529 O TRP A 36 -9.115 2.913 1.084 1.00 0.00 O ATOM 530 CB TRP A 36 -9.742 -0.141 1.253 1.00 0.00 C ATOM 531 CG TRP A 36 -8.530 -0.651 1.968 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.481 -1.772 2.725 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.195 -0.074 2.008 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.201 -1.917 3.226 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.371 -0.895 2.812 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.624 1.072 1.429 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.029 -0.590 3.035 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.275 1.382 1.650 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.479 0.553 2.452 1.00 0.00 C ATOM 0 H TRP A 36 -11.481 1.288 0.233 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.558 0.802 3.047 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.488 -0.931 1.173 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.480 0.154 0.237 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.307 -2.443 2.908 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.906 -2.686 3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.228 1.718 0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.420 -1.233 3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.846 2.265 1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.441 0.798 2.619 1.00 0.00 H new ATOM 550 N VAL A 37 -8.685 2.409 3.188 1.00 0.00 N ATOM 551 CA VAL A 37 -7.681 3.502 3.331 1.00 0.00 C ATOM 552 C VAL A 37 -6.702 3.118 4.440 1.00 0.00 C ATOM 553 O VAL A 37 -6.595 1.958 4.796 1.00 0.00 O ATOM 554 CB VAL A 37 -8.473 4.767 3.710 1.00 0.00 C ATOM 555 CG1 VAL A 37 -9.316 5.226 2.520 1.00 0.00 C ATOM 556 CG2 VAL A 37 -9.388 4.483 4.909 1.00 0.00 C ATOM 0 H VAL A 37 -8.824 1.847 4.028 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.111 3.672 2.418 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.768 5.553 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.874 6.121 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.663 5.449 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.012 4.435 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.942 5.386 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.089 3.688 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.784 4.173 5.762 1.00 0.00 H new ATOM 566 N ALA A 38 -5.988 4.065 4.988 1.00 0.00 N ATOM 567 CA ALA A 38 -5.020 3.733 6.070 1.00 0.00 C ATOM 568 C ALA A 38 -5.334 4.536 7.342 1.00 0.00 C ATOM 569 O ALA A 38 -5.941 5.587 7.269 1.00 0.00 O ATOM 570 CB ALA A 38 -3.663 4.121 5.496 1.00 0.00 C ATOM 0 H ALA A 38 -6.034 5.052 4.733 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.058 2.683 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.884 3.910 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.474 3.546 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.659 5.185 5.258 1.00 0.00 H new ATOM 576 N PRO A 39 -4.922 4.012 8.479 1.00 0.00 N ATOM 577 CA PRO A 39 -5.187 4.704 9.767 1.00 0.00 C ATOM 578 C PRO A 39 -4.314 5.956 9.903 1.00 0.00 C ATOM 579 O PRO A 39 -3.266 5.928 10.520 1.00 0.00 O ATOM 580 CB PRO A 39 -4.812 3.664 10.819 1.00 0.00 C ATOM 581 CG PRO A 39 -3.831 2.761 10.141 1.00 0.00 C ATOM 582 CD PRO A 39 -4.184 2.752 8.677 1.00 0.00 C ATOM 0 HA PRO A 39 -6.218 5.046 9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.373 4.134 11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.689 3.111 11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.812 3.117 10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.881 1.755 10.557 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.292 2.710 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.795 1.887 8.419 1.00 0.00 H new ATOM 590 N ILE A 40 -4.747 7.053 9.337 1.00 0.00 N ATOM 591 CA ILE A 40 -3.958 8.319 9.432 1.00 0.00 C ATOM 592 C ILE A 40 -4.800 9.500 8.927 1.00 0.00 C ATOM 593 O ILE A 40 -4.788 10.570 9.507 1.00 0.00 O ATOM 594 CB ILE A 40 -2.722 8.098 8.546 1.00 0.00 C ATOM 595 CG1 ILE A 40 -1.846 9.354 8.564 1.00 0.00 C ATOM 596 CG2 ILE A 40 -3.154 7.798 7.108 1.00 0.00 C ATOM 597 CD1 ILE A 40 -0.378 8.958 8.389 1.00 0.00 C ATOM 0 H ILE A 40 -5.617 7.127 8.810 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.671 8.554 10.457 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.155 7.251 8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.148 10.032 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.979 9.889 9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.271 7.643 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.770 6.899 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.728 8.638 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.244 9.853 8.402 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.080 8.297 9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.251 8.442 7.437 1.00 0.00 H new ATOM 609 N THR A 41 -5.533 9.305 7.860 1.00 0.00 N ATOM 610 CA THR A 41 -6.384 10.404 7.312 1.00 0.00 C ATOM 611 C THR A 41 -7.455 9.824 6.382 1.00 0.00 C ATOM 612 O THR A 41 -8.608 10.209 6.431 1.00 0.00 O ATOM 613 CB THR A 41 -5.427 11.302 6.523 1.00 0.00 C ATOM 614 OG1 THR A 41 -4.384 11.753 7.376 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.189 12.508 5.969 1.00 0.00 C ATOM 0 H THR A 41 -5.578 8.427 7.343 1.00 0.00 H new ATOM 0 HA THR A 41 -6.900 10.954 8.099 1.00 0.00 H new ATOM 0 HB THR A 41 -5.001 10.733 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.696 11.747 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.505 13.145 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.986 12.163 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.620 13.076 6.793 1.00 0.00 H new ATOM 623 N GLY A 42 -7.075 8.904 5.532 1.00 0.00 N ATOM 624 CA GLY A 42 -8.056 8.294 4.586 1.00 0.00 C ATOM 625 C GLY A 42 -7.490 8.350 3.167 1.00 0.00 C ATOM 626 O GLY A 42 -7.858 9.200 2.377 1.00 0.00 O ATOM 0 H GLY A 42 -6.122 8.548 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.258 7.261 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.005 8.828 4.633 1.00 0.00 H new ATOM 630 N ALA A 43 -6.589 7.456 2.839 1.00 0.00 N ATOM 631 CA ALA A 43 -5.988 7.459 1.472 1.00 0.00 C ATOM 632 C ALA A 43 -6.595 6.337 0.608 1.00 0.00 C ATOM 633 O ALA A 43 -6.421 5.175 0.913 1.00 0.00 O ATOM 634 CB ALA A 43 -4.497 7.206 1.697 1.00 0.00 C ATOM 0 H ALA A 43 -6.245 6.724 3.461 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.175 8.396 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.981 7.193 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.083 7.999 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.362 6.245 2.194 1.00 0.00 H new ATOM 640 N PRO A 44 -7.287 6.711 -0.454 1.00 0.00 N ATOM 641 CA PRO A 44 -7.901 5.690 -1.344 1.00 0.00 C ATOM 642 C PRO A 44 -6.815 4.961 -2.146 1.00 0.00 C ATOM 643 O PRO A 44 -5.647 5.015 -1.813 1.00 0.00 O ATOM 644 CB PRO A 44 -8.805 6.509 -2.264 1.00 0.00 C ATOM 645 CG PRO A 44 -8.212 7.878 -2.269 1.00 0.00 C ATOM 646 CD PRO A 44 -7.565 8.079 -0.924 1.00 0.00 C ATOM 0 HA PRO A 44 -8.447 4.919 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.832 6.087 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.831 6.525 -1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.479 7.978 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.980 8.631 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.651 8.667 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.226 8.610 -0.239 1.00 0.00 H new ATOM 654 N LYS A 45 -7.195 4.279 -3.198 1.00 0.00 N ATOM 655 CA LYS A 45 -6.190 3.539 -4.025 1.00 0.00 C ATOM 656 C LYS A 45 -5.417 4.513 -4.911 1.00 0.00 C ATOM 657 O LYS A 45 -4.235 4.352 -5.152 1.00 0.00 O ATOM 658 CB LYS A 45 -7.006 2.566 -4.896 1.00 0.00 C ATOM 659 CG LYS A 45 -7.931 1.700 -4.025 1.00 0.00 C ATOM 660 CD LYS A 45 -7.106 0.964 -2.969 1.00 0.00 C ATOM 661 CE LYS A 45 -8.022 0.108 -2.095 1.00 0.00 C ATOM 662 NZ LYS A 45 -7.095 -0.675 -1.230 1.00 0.00 N ATOM 0 H LYS A 45 -8.159 4.202 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.463 3.016 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.599 3.127 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.331 1.927 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.682 2.325 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.466 0.983 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.359 0.335 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.567 1.682 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.692 0.727 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.648 -0.548 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.574 -0.919 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.814 -1.547 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.249 -0.106 -1.023 1.00 0.00 H new ATOM 676 N SER A 46 -6.087 5.517 -5.397 1.00 0.00 N ATOM 677 CA SER A 46 -5.417 6.523 -6.284 1.00 0.00 C ATOM 678 C SER A 46 -4.235 7.190 -5.566 1.00 0.00 C ATOM 679 O SER A 46 -3.366 7.759 -6.199 1.00 0.00 O ATOM 680 CB SER A 46 -6.497 7.558 -6.602 1.00 0.00 C ATOM 681 OG SER A 46 -7.652 6.893 -7.098 1.00 0.00 O ATOM 0 H SER A 46 -7.076 5.691 -5.221 1.00 0.00 H new ATOM 0 HA SER A 46 -5.012 6.058 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.747 8.127 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.128 8.271 -7.340 1.00 0.00 H new ATOM 0 HG SER A 46 -8.347 7.553 -7.301 1.00 0.00 H new ATOM 687 N GLU A 47 -4.199 7.132 -4.257 1.00 0.00 N ATOM 688 CA GLU A 47 -3.074 7.773 -3.507 1.00 0.00 C ATOM 689 C GLU A 47 -1.934 6.774 -3.264 1.00 0.00 C ATOM 690 O GLU A 47 -0.804 7.164 -3.034 1.00 0.00 O ATOM 691 CB GLU A 47 -3.685 8.216 -2.179 1.00 0.00 C ATOM 692 CG GLU A 47 -4.474 9.511 -2.385 1.00 0.00 C ATOM 693 CD GLU A 47 -3.510 10.643 -2.746 1.00 0.00 C ATOM 694 OE1 GLU A 47 -2.459 10.719 -2.133 1.00 0.00 O ATOM 695 OE2 GLU A 47 -3.841 11.417 -3.631 1.00 0.00 O ATOM 0 H GLU A 47 -4.899 6.669 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.642 8.606 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.340 7.437 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.900 8.370 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.210 9.379 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.024 9.763 -1.478 1.00 0.00 H new ATOM 702 N PHE A 48 -2.219 5.495 -3.304 1.00 0.00 N ATOM 703 CA PHE A 48 -1.148 4.477 -3.065 1.00 0.00 C ATOM 704 C PHE A 48 -0.374 4.187 -4.353 1.00 0.00 C ATOM 705 O PHE A 48 -0.672 4.717 -5.407 1.00 0.00 O ATOM 706 CB PHE A 48 -1.885 3.221 -2.613 1.00 0.00 C ATOM 707 CG PHE A 48 -1.984 3.195 -1.118 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.936 3.972 -0.455 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.123 2.371 -0.396 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.027 3.923 0.939 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.207 2.320 0.991 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.162 3.095 1.664 1.00 0.00 C ATOM 0 H PHE A 48 -3.146 5.112 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.424 4.825 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.882 3.197 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.359 2.334 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.601 4.610 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.390 1.771 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.763 4.522 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.537 1.684 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.230 3.053 2.741 1.00 0.00 H new ATOM 722 N GLU A 49 0.609 3.329 -4.269 1.00 0.00 N ATOM 723 CA GLU A 49 1.411 2.964 -5.466 1.00 0.00 C ATOM 724 C GLU A 49 2.127 1.633 -5.210 1.00 0.00 C ATOM 725 O GLU A 49 2.490 1.328 -4.089 1.00 0.00 O ATOM 726 CB GLU A 49 2.420 4.106 -5.647 1.00 0.00 C ATOM 727 CG GLU A 49 2.134 4.845 -6.959 1.00 0.00 C ATOM 728 CD GLU A 49 3.453 5.305 -7.587 1.00 0.00 C ATOM 729 OE1 GLU A 49 4.028 4.534 -8.339 1.00 0.00 O ATOM 730 OE2 GLU A 49 3.863 6.419 -7.307 1.00 0.00 O ATOM 0 H GLU A 49 0.891 2.861 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 49 0.799 2.837 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.355 4.798 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.435 3.709 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.600 4.190 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.490 5.704 -6.771 1.00 0.00 H new ATOM 737 N LYS A 50 2.329 0.840 -6.233 1.00 0.00 N ATOM 738 CA LYS A 50 3.020 -0.472 -6.037 1.00 0.00 C ATOM 739 C LYS A 50 4.508 -0.237 -5.769 1.00 0.00 C ATOM 740 O LYS A 50 5.055 0.788 -6.130 1.00 0.00 O ATOM 741 CB LYS A 50 2.831 -1.254 -7.346 1.00 0.00 C ATOM 742 CG LYS A 50 1.343 -1.316 -7.727 1.00 0.00 C ATOM 743 CD LYS A 50 0.909 -2.775 -7.916 1.00 0.00 C ATOM 744 CE LYS A 50 1.666 -3.390 -9.095 1.00 0.00 C ATOM 745 NZ LYS A 50 0.735 -3.269 -10.252 1.00 0.00 N ATOM 0 H LYS A 50 2.047 1.043 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 50 2.613 -1.021 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.398 -0.778 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.226 -2.264 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.740 -0.847 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.171 -0.755 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.107 -3.344 -7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.165 -2.825 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.601 -2.862 -9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.922 -4.432 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.182 -3.670 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.143 -3.787 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.515 -2.266 -10.417 1.00 0.00 H new ATOM 759 N LEU A 51 5.163 -1.178 -5.140 1.00 0.00 N ATOM 760 CA LEU A 51 6.616 -1.014 -4.848 1.00 0.00 C ATOM 761 C LEU A 51 7.446 -1.772 -5.888 1.00 0.00 C ATOM 762 O LEU A 51 8.485 -2.327 -5.586 1.00 0.00 O ATOM 763 CB LEU A 51 6.809 -1.614 -3.449 1.00 0.00 C ATOM 764 CG LEU A 51 7.862 -0.816 -2.661 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.205 -0.849 -3.398 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.401 0.639 -2.498 1.00 0.00 C ATOM 0 H LEU A 51 4.753 -2.054 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 51 6.937 0.027 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.861 -1.608 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.121 -2.655 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 51 7.982 -1.268 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.944 -0.281 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.540 -1.882 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.088 -0.408 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.151 1.198 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.269 1.091 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.454 0.662 -1.958 1.00 0.00 H new ATOM 778 N GLU A 52 6.984 -1.796 -7.111 1.00 0.00 N ATOM 779 CA GLU A 52 7.729 -2.513 -8.187 1.00 0.00 C ATOM 780 C GLU A 52 9.120 -1.896 -8.370 1.00 0.00 C ATOM 781 O GLU A 52 9.601 -1.168 -7.521 1.00 0.00 O ATOM 782 CB GLU A 52 6.883 -2.343 -9.457 1.00 0.00 C ATOM 783 CG GLU A 52 6.677 -0.853 -9.758 1.00 0.00 C ATOM 784 CD GLU A 52 6.717 -0.625 -11.271 1.00 0.00 C ATOM 785 OE1 GLU A 52 5.916 -1.231 -11.963 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.548 0.151 -11.712 1.00 0.00 O ATOM 0 H GLU A 52 6.119 -1.348 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 52 7.880 -3.566 -7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.377 -2.827 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.918 -2.833 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.721 -0.519 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.453 -0.262 -9.270 1.00 0.00 H new ATOM 793 N ASP A 53 9.775 -2.184 -9.471 1.00 0.00 N ATOM 794 CA ASP A 53 11.145 -1.622 -9.724 1.00 0.00 C ATOM 795 C ASP A 53 12.083 -1.936 -8.551 1.00 0.00 C ATOM 796 O ASP A 53 13.139 -1.327 -8.484 1.00 0.00 O ATOM 797 CB ASP A 53 10.952 -0.108 -9.862 1.00 0.00 C ATOM 798 CG ASP A 53 12.258 0.533 -10.334 1.00 0.00 C ATOM 799 OD1 ASP A 53 12.474 0.577 -11.534 1.00 0.00 O ATOM 800 OD2 ASP A 53 13.020 0.971 -9.487 1.00 0.00 O ATOM 801 OXT ASP A 53 11.727 -2.778 -7.743 1.00 0.00 O ATOM 0 H ASP A 53 9.418 -2.788 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 53 11.597 -2.055 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.153 0.104 -10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.650 0.319 -8.906 1.00 0.00 H new TER 806 ASP A 53