USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -2.09 K(o=-3.5,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -172:sc= -1.43 (180deg=-0.319) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.194 (180deg=-0.683) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.295 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 69:sc= 0.926 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 74:sc= 0.3 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00891 (180deg=-0.235) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.775 9.060 74.172 1.00 0.00 N ATOM 2 CA GLY A 1 -4.218 10.397 74.215 1.00 0.00 C ATOM 3 C GLY A 1 -3.218 10.580 73.085 1.00 0.00 C ATOM 4 O GLY A 1 -2.982 9.667 72.298 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.812 9.114 74.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.506 8.601 73.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.407 8.505 74.971 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.015 11.135 74.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.730 10.566 75.175 1.00 0.00 H new ATOM 8 N VAL A 2 -2.637 11.776 73.020 1.00 0.00 N ATOM 9 CA VAL A 2 -1.655 12.111 71.994 1.00 0.00 C ATOM 10 C VAL A 2 -0.361 11.347 72.225 1.00 0.00 C ATOM 11 O VAL A 2 0.235 10.808 71.293 1.00 0.00 O ATOM 12 CB VAL A 2 -1.324 13.615 71.999 1.00 0.00 C ATOM 13 CG1 VAL A 2 -0.168 13.909 71.055 1.00 0.00 C ATOM 14 CG2 VAL A 2 -2.529 14.427 71.552 1.00 0.00 C ATOM 0 H VAL A 2 -2.833 12.535 73.673 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.094 11.838 71.035 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.049 13.891 73.017 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.052 14.976 71.071 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.713 13.352 71.374 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.440 13.610 70.043 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.277 15.487 71.562 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.813 14.131 70.542 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.362 14.246 72.231 1.00 0.00 H new ATOM 24 N ILE A 3 0.066 11.306 73.484 1.00 0.00 N ATOM 25 CA ILE A 3 1.290 10.612 73.871 1.00 0.00 C ATOM 26 C ILE A 3 1.141 9.114 73.663 1.00 0.00 C ATOM 27 O ILE A 3 2.068 8.438 73.219 1.00 0.00 O ATOM 28 CB ILE A 3 1.631 10.852 75.354 1.00 0.00 C ATOM 29 CG1 ILE A 3 1.996 12.320 75.586 1.00 0.00 C ATOM 30 CG2 ILE A 3 2.810 9.990 75.776 1.00 0.00 C ATOM 31 CD1 ILE A 3 2.104 12.699 77.046 1.00 0.00 C ATOM 0 H ILE A 3 -0.424 11.750 74.261 1.00 0.00 H new ATOM 0 HA ILE A 3 2.089 11.008 73.245 1.00 0.00 H new ATOM 0 HB ILE A 3 0.753 10.590 75.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.946 12.531 75.094 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.245 12.951 75.111 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.037 10.173 76.826 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.560 8.938 75.636 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.680 10.240 75.168 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.365 13.754 77.130 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.148 12.522 77.540 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.876 12.095 77.523 1.00 0.00 H new ATOM 43 N ASP A 4 -0.042 8.603 73.991 1.00 0.00 N ATOM 44 CA ASP A 4 -0.344 7.182 73.851 1.00 0.00 C ATOM 45 C ASP A 4 -0.013 6.704 72.446 1.00 0.00 C ATOM 46 O ASP A 4 0.521 5.612 72.255 1.00 0.00 O ATOM 47 CB ASP A 4 -1.829 6.921 74.114 1.00 0.00 C ATOM 48 CG ASP A 4 -2.197 7.075 75.576 1.00 0.00 C ATOM 49 OD1 ASP A 4 -3.346 6.745 75.937 1.00 0.00 O ATOM 50 OD2 ASP A 4 -1.337 7.527 76.361 1.00 0.00 O ATOM 0 H ASP A 4 -0.814 9.158 74.359 1.00 0.00 H new ATOM 0 HA ASP A 4 0.261 6.640 74.578 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.427 7.611 73.518 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.081 5.913 73.784 1.00 0.00 H new ATOM 56 N THR A 5 -0.340 7.539 71.463 1.00 0.00 N ATOM 57 CA THR A 5 -0.090 7.227 70.059 1.00 0.00 C ATOM 58 C THR A 5 1.232 7.828 69.608 1.00 0.00 C ATOM 59 O THR A 5 1.646 7.665 68.462 1.00 0.00 O ATOM 60 CB THR A 5 -1.200 7.787 69.150 1.00 0.00 C ATOM 61 OG1 THR A 5 -1.241 9.215 69.265 1.00 0.00 O ATOM 62 CG2 THR A 5 -2.553 7.222 69.552 1.00 0.00 C ATOM 0 H THR A 5 -0.783 8.445 71.616 1.00 0.00 H new ATOM 0 HA THR A 5 -0.065 6.141 69.975 1.00 0.00 H new ATOM 0 HB THR A 5 -0.982 7.500 68.121 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.647 9.502 69.990 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.326 7.628 68.899 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.535 6.136 69.461 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.769 7.496 70.585 1.00 0.00 H new ATOM 70 N SER A 6 1.889 8.528 70.529 1.00 0.00 N ATOM 71 CA SER A 6 3.171 9.168 70.253 1.00 0.00 C ATOM 72 C SER A 6 4.122 8.191 69.581 1.00 0.00 C ATOM 73 O SER A 6 4.584 8.418 68.464 1.00 0.00 O ATOM 74 CB SER A 6 3.817 9.655 71.551 1.00 0.00 C ATOM 75 OG SER A 6 5.068 10.271 71.299 1.00 0.00 O ATOM 0 H SER A 6 1.550 8.667 71.481 1.00 0.00 H new ATOM 0 HA SER A 6 2.983 10.014 69.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.153 10.363 72.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.953 8.814 72.231 1.00 0.00 H new ATOM 0 HG SER A 6 5.459 10.575 72.145 1.00 0.00 H new ATOM 81 N ALA A 7 4.408 7.096 70.280 1.00 0.00 N ATOM 82 CA ALA A 7 5.305 6.060 69.774 1.00 0.00 C ATOM 83 C ALA A 7 4.767 5.477 68.477 1.00 0.00 C ATOM 84 O ALA A 7 5.514 5.232 67.531 1.00 0.00 O ATOM 85 CB ALA A 7 5.441 4.935 70.788 1.00 0.00 C ATOM 0 H ALA A 7 4.028 6.902 71.206 1.00 0.00 H new ATOM 0 HA ALA A 7 6.278 6.519 69.597 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.112 4.171 70.396 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.846 5.331 71.719 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.462 4.495 70.977 1.00 0.00 H new ATOM 91 N VAL A 8 3.455 5.258 68.446 1.00 0.00 N ATOM 92 CA VAL A 8 2.784 4.703 67.274 1.00 0.00 C ATOM 93 C VAL A 8 2.920 5.643 66.088 1.00 0.00 C ATOM 94 O VAL A 8 3.158 5.214 64.960 1.00 0.00 O ATOM 95 CB VAL A 8 1.282 4.484 67.535 1.00 0.00 C ATOM 96 CG1 VAL A 8 0.568 4.106 66.246 1.00 0.00 C ATOM 97 CG2 VAL A 8 1.074 3.366 68.545 1.00 0.00 C ATOM 0 H VAL A 8 2.831 5.459 69.227 1.00 0.00 H new ATOM 0 HA VAL A 8 3.260 3.746 67.060 1.00 0.00 H new ATOM 0 HB VAL A 8 0.873 5.416 67.926 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.492 3.955 66.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.688 4.906 65.516 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.996 3.186 65.849 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.007 3.225 68.717 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.504 2.442 68.159 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.562 3.629 69.484 1.00 0.00 H new ATOM 107 N GLU A 9 2.765 6.936 66.358 1.00 0.00 N ATOM 108 CA GLU A 9 2.867 7.967 65.328 1.00 0.00 C ATOM 109 C GLU A 9 4.215 7.892 64.631 1.00 0.00 C ATOM 110 O GLU A 9 4.315 8.069 63.418 1.00 0.00 O ATOM 111 CB GLU A 9 2.719 9.359 65.946 1.00 0.00 C ATOM 112 CG GLU A 9 2.743 10.493 64.935 1.00 0.00 C ATOM 113 CD GLU A 9 2.544 11.851 65.578 1.00 0.00 C ATOM 114 OE1 GLU A 9 2.389 11.905 66.816 1.00 0.00 O ATOM 115 OE2 GLU A 9 2.543 12.862 64.844 1.00 0.00 O ATOM 0 H GLU A 9 2.566 7.298 67.291 1.00 0.00 H new ATOM 0 HA GLU A 9 2.068 7.796 64.607 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.781 9.401 66.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.522 9.512 66.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.695 10.482 64.405 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.963 10.329 64.192 1.00 0.00 H new ATOM 123 N SER A 10 5.254 7.627 65.417 1.00 0.00 N ATOM 124 CA SER A 10 6.616 7.522 64.901 1.00 0.00 C ATOM 125 C SER A 10 6.854 6.147 64.300 1.00 0.00 C ATOM 126 O SER A 10 7.370 6.018 63.191 1.00 0.00 O ATOM 127 CB SER A 10 7.633 7.741 66.023 1.00 0.00 C ATOM 128 OG SER A 10 7.536 9.053 66.550 1.00 0.00 O ATOM 0 H SER A 10 5.177 7.480 66.423 1.00 0.00 H new ATOM 0 HA SER A 10 6.740 8.287 64.135 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.465 7.013 66.817 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.641 7.572 65.643 1.00 0.00 H new ATOM 0 HG SER A 10 8.195 9.167 67.266 1.00 0.00 H new ATOM 134 N ALA A 11 6.470 5.118 65.051 1.00 0.00 N ATOM 135 CA ALA A 11 6.629 3.733 64.616 1.00 0.00 C ATOM 136 C ALA A 11 5.737 3.444 63.420 1.00 0.00 C ATOM 137 O ALA A 11 6.127 2.739 62.491 1.00 0.00 O ATOM 138 CB ALA A 11 6.253 2.778 65.739 1.00 0.00 C ATOM 0 H ALA A 11 6.043 5.219 65.972 1.00 0.00 H new ATOM 0 HA ALA A 11 7.674 3.588 64.340 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.377 1.750 65.399 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.898 2.956 66.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.214 2.943 66.024 1.00 0.00 H new ATOM 144 N ILE A 12 4.529 4.000 63.456 1.00 0.00 N ATOM 145 CA ILE A 12 3.555 3.820 62.385 1.00 0.00 C ATOM 146 C ILE A 12 4.031 4.500 61.112 1.00 0.00 C ATOM 147 O ILE A 12 3.970 3.928 60.024 1.00 0.00 O ATOM 148 CB ILE A 12 2.187 4.421 62.759 1.00 0.00 C ATOM 149 CG1 ILE A 12 1.559 3.638 63.914 1.00 0.00 C ATOM 150 CG2 ILE A 12 1.240 4.369 61.571 1.00 0.00 C ATOM 151 CD1 ILE A 12 1.308 2.180 63.599 1.00 0.00 C ATOM 0 H ILE A 12 4.200 4.585 64.224 1.00 0.00 H new ATOM 0 HA ILE A 12 3.451 2.746 62.229 1.00 0.00 H new ATOM 0 HB ILE A 12 2.348 5.457 63.057 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.213 3.705 64.784 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.615 4.108 64.188 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.278 4.798 61.853 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.663 4.939 60.744 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.099 3.333 61.263 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.862 1.692 64.466 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.629 2.103 62.750 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.252 1.693 63.354 1.00 0.00 H new ATOM 163 N THR A 13 4.508 5.732 61.263 1.00 0.00 N ATOM 164 CA THR A 13 5.005 6.520 60.138 1.00 0.00 C ATOM 165 C THR A 13 6.236 5.865 59.532 1.00 0.00 C ATOM 166 O THR A 13 6.384 5.796 58.313 1.00 0.00 O ATOM 167 CB THR A 13 5.393 7.945 60.575 1.00 0.00 C ATOM 168 OG1 THR A 13 4.238 8.624 61.082 1.00 0.00 O ATOM 169 CG2 THR A 13 5.949 8.730 59.397 1.00 0.00 C ATOM 0 H THR A 13 4.561 6.210 62.162 1.00 0.00 H new ATOM 0 HA THR A 13 4.199 6.570 59.406 1.00 0.00 H new ATOM 0 HB THR A 13 6.156 7.874 61.351 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.966 8.218 61.931 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.218 9.735 59.724 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.834 8.226 59.009 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.194 8.793 58.613 1.00 0.00 H new ATOM 177 N ASP A 14 7.119 5.384 60.403 1.00 0.00 N ATOM 178 CA ASP A 14 8.352 4.728 59.981 1.00 0.00 C ATOM 179 C ASP A 14 8.046 3.395 59.320 1.00 0.00 C ATOM 180 O ASP A 14 8.530 3.100 58.228 1.00 0.00 O ATOM 181 CB ASP A 14 9.262 4.473 61.184 1.00 0.00 C ATOM 182 CG ASP A 14 9.871 5.748 61.734 1.00 0.00 C ATOM 183 OD1 ASP A 14 10.737 5.655 62.629 1.00 0.00 O ATOM 184 OD2 ASP A 14 9.481 6.841 61.271 1.00 0.00 O ATOM 0 H ASP A 14 7.001 5.438 61.415 1.00 0.00 H new ATOM 0 HA ASP A 14 8.852 5.387 59.271 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.690 3.979 61.970 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.060 3.789 60.893 1.00 0.00 H new ATOM 190 N GLY A 15 7.233 2.590 59.998 1.00 0.00 N ATOM 191 CA GLY A 15 6.841 1.275 59.498 1.00 0.00 C ATOM 192 C GLY A 15 5.681 1.400 58.523 1.00 0.00 C ATOM 193 O GLY A 15 5.826 1.151 57.327 1.00 0.00 O ATOM 0 H GLY A 15 6.829 2.828 60.904 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.689 0.799 59.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.556 0.633 60.331 1.00 0.00 H new ATOM 197 N GLN A 16 4.525 1.788 59.052 1.00 0.00 N ATOM 198 CA GLN A 16 3.317 1.956 58.250 1.00 0.00 C ATOM 199 C GLN A 16 3.612 2.785 57.010 1.00 0.00 C ATOM 200 O GLN A 16 3.340 2.368 55.886 1.00 0.00 O ATOM 201 CB GLN A 16 2.231 2.667 59.060 1.00 0.00 C ATOM 202 CG GLN A 16 0.918 2.846 58.314 1.00 0.00 C ATOM 203 CD GLN A 16 0.249 1.526 57.987 1.00 0.00 C ATOM 204 OE1 GLN A 16 0.002 0.707 58.872 1.00 0.00 O ATOM 205 NE2 GLN A 16 -0.046 1.315 56.709 1.00 0.00 N ATOM 0 H GLN A 16 4.399 1.994 60.043 1.00 0.00 H new ATOM 0 HA GLN A 16 2.971 0.964 57.958 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.044 2.101 59.972 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.601 3.647 59.363 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.242 3.452 58.917 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.101 3.395 57.390 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.178 2.023 56.010 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.496 0.445 56.427 1.00 0.00 H new ATOM 214 N GLY A 17 4.175 3.970 57.232 1.00 0.00 N ATOM 215 CA GLY A 17 4.520 4.884 56.147 1.00 0.00 C ATOM 216 C GLY A 17 5.337 4.165 55.085 1.00 0.00 C ATOM 217 O GLY A 17 5.065 4.276 53.891 1.00 0.00 O ATOM 0 H GLY A 17 4.403 4.322 58.162 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.611 5.290 55.702 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.086 5.728 56.541 1.00 0.00 H new ATOM 221 N ASP A 18 6.345 3.425 55.538 1.00 0.00 N ATOM 222 CA ASP A 18 7.223 2.674 54.646 1.00 0.00 C ATOM 223 C ASP A 18 6.411 1.736 53.767 1.00 0.00 C ATOM 224 O ASP A 18 6.908 1.206 52.774 1.00 0.00 O ATOM 225 CB ASP A 18 8.220 1.840 55.453 1.00 0.00 C ATOM 226 CG ASP A 18 9.265 2.691 56.147 1.00 0.00 C ATOM 227 OD1 ASP A 18 10.438 2.265 56.202 1.00 0.00 O ATOM 228 OD2 ASP A 18 8.911 3.784 56.636 1.00 0.00 O ATOM 0 H ASP A 18 6.575 3.329 56.527 1.00 0.00 H new ATOM 0 HA ASP A 18 7.759 3.392 54.025 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.680 1.255 56.198 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.716 1.131 54.790 1.00 0.00 H new ATOM 234 N MET A 19 5.153 1.537 54.146 1.00 0.00 N ATOM 235 CA MET A 19 4.243 0.665 53.409 1.00 0.00 C ATOM 236 C MET A 19 3.982 1.222 52.019 1.00 0.00 C ATOM 237 O MET A 19 3.963 0.487 51.033 1.00 0.00 O ATOM 238 CB MET A 19 2.905 0.545 54.141 1.00 0.00 C ATOM 239 CG MET A 19 1.923 -0.413 53.487 1.00 0.00 C ATOM 240 SD MET A 19 0.366 -0.536 54.388 1.00 0.00 S ATOM 241 CE MET A 19 0.897 -1.396 55.866 1.00 0.00 C ATOM 0 H MET A 19 4.736 1.973 54.969 1.00 0.00 H new ATOM 0 HA MET A 19 4.712 -0.316 53.333 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.091 0.216 55.163 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.447 1.532 54.202 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.723 -0.082 52.468 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.377 -1.401 53.418 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.025 -1.673 56.459 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.446 -2.295 55.586 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.543 -0.744 56.454 1.00 0.00 H new ATOM 251 N LYS A 20 3.780 2.534 51.954 1.00 0.00 N ATOM 252 CA LYS A 20 3.516 3.221 50.693 1.00 0.00 C ATOM 253 C LYS A 20 4.651 2.984 49.710 1.00 0.00 C ATOM 254 O LYS A 20 4.427 2.755 48.523 1.00 0.00 O ATOM 255 CB LYS A 20 3.381 4.728 50.922 1.00 0.00 C ATOM 256 CG LYS A 20 3.043 5.518 49.668 1.00 0.00 C ATOM 257 CD LYS A 20 2.868 6.996 49.977 1.00 0.00 C ATOM 258 CE LYS A 20 2.544 7.788 48.721 1.00 0.00 C ATOM 259 NZ LYS A 20 2.359 9.237 49.011 1.00 0.00 N ATOM 0 H LYS A 20 3.794 3.148 52.768 1.00 0.00 H new ATOM 0 HA LYS A 20 2.586 2.824 50.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.607 4.903 51.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.315 5.107 51.337 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.835 5.390 48.930 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.128 5.126 49.224 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.069 7.125 50.707 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.780 7.385 50.430 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.348 7.663 47.995 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.637 7.390 48.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.140 9.742 48.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.576 9.359 49.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.233 9.623 49.423 1.00 0.00 H new ATOM 273 N ALA A 21 5.877 3.044 50.223 1.00 0.00 N ATOM 274 CA ALA A 21 7.073 2.839 49.411 1.00 0.00 C ATOM 275 C ALA A 21 7.164 1.392 48.953 1.00 0.00 C ATOM 276 O ALA A 21 7.509 1.109 47.807 1.00 0.00 O ATOM 277 CB ALA A 21 8.322 3.170 50.214 1.00 0.00 C ATOM 0 H ALA A 21 6.069 3.235 51.206 1.00 0.00 H new ATOM 0 HA ALA A 21 7.005 3.496 48.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.205 3.012 49.595 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.284 4.212 50.533 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.373 2.524 51.090 1.00 0.00 H new ATOM 283 N ILE A 22 6.850 0.479 49.868 1.00 0.00 N ATOM 284 CA ILE A 22 6.889 -0.953 49.585 1.00 0.00 C ATOM 285 C ILE A 22 5.862 -1.313 48.523 1.00 0.00 C ATOM 286 O ILE A 22 6.170 -1.995 47.547 1.00 0.00 O ATOM 287 CB ILE A 22 6.581 -1.786 50.843 1.00 0.00 C ATOM 288 CG1 ILE A 22 7.704 -1.633 51.872 1.00 0.00 C ATOM 289 CG2 ILE A 22 6.450 -3.259 50.489 1.00 0.00 C ATOM 290 CD1 ILE A 22 7.372 -2.214 53.229 1.00 0.00 C ATOM 0 H ILE A 22 6.563 0.708 50.820 1.00 0.00 H new ATOM 0 HA ILE A 22 7.896 -1.180 49.236 1.00 0.00 H new ATOM 0 HB ILE A 22 5.642 -1.423 51.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.603 -2.117 51.490 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.937 -0.574 51.987 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.232 -3.832 51.390 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.640 -3.390 49.771 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.384 -3.612 50.051 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.215 -2.067 53.904 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.492 -1.714 53.634 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.169 -3.280 53.128 1.00 0.00 H new ATOM 302 N GLY A 23 4.635 -0.844 48.727 1.00 0.00 N ATOM 303 CA GLY A 23 3.537 -1.101 47.799 1.00 0.00 C ATOM 304 C GLY A 23 3.792 -0.412 46.468 1.00 0.00 C ATOM 305 O GLY A 23 3.592 -0.993 45.402 1.00 0.00 O ATOM 0 H GLY A 23 4.374 -0.278 49.535 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.428 -2.174 47.644 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.600 -0.743 48.227 1.00 0.00 H new ATOM 309 N GLY A 24 4.238 0.838 46.545 1.00 0.00 N ATOM 310 CA GLY A 24 4.530 1.636 45.358 1.00 0.00 C ATOM 311 C GLY A 24 5.733 1.070 44.619 1.00 0.00 C ATOM 312 O GLY A 24 5.667 0.780 43.426 1.00 0.00 O ATOM 0 H GLY A 24 4.406 1.324 47.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.663 1.648 44.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.725 2.669 45.646 1.00 0.00 H new ATOM 316 N TYR A 25 6.835 0.918 45.347 1.00 0.00 N ATOM 317 CA TYR A 25 8.074 0.387 44.785 1.00 0.00 C ATOM 318 C TYR A 25 7.832 -0.975 44.156 1.00 0.00 C ATOM 319 O TYR A 25 8.372 -1.292 43.097 1.00 0.00 O ATOM 320 CB TYR A 25 9.135 0.234 45.877 1.00 0.00 C ATOM 321 CG TYR A 25 10.449 -0.326 45.380 1.00 0.00 C ATOM 322 CD1 TYR A 25 11.351 0.479 44.696 1.00 0.00 C ATOM 323 CD2 TYR A 25 10.782 -1.657 45.596 1.00 0.00 C ATOM 324 CE1 TYR A 25 12.555 -0.024 44.238 1.00 0.00 C ATOM 325 CE2 TYR A 25 11.981 -2.177 45.145 1.00 0.00 C ATOM 326 CZ TYR A 25 12.869 -1.347 44.462 1.00 0.00 C ATOM 327 OH TYR A 25 14.066 -1.850 44.007 1.00 0.00 O ATOM 0 H TYR A 25 6.895 1.157 46.337 1.00 0.00 H new ATOM 0 HA TYR A 25 8.422 1.088 44.026 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.315 1.207 46.334 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.746 -0.418 46.659 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.108 1.516 44.519 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.092 -2.297 46.126 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.245 0.616 43.708 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.227 -3.214 45.320 1.00 0.00 H new ATOM 0 HH TYR A 25 14.135 -2.798 44.247 1.00 0.00 H new ATOM 337 N ILE A 26 7.010 -1.779 44.824 1.00 0.00 N ATOM 338 CA ILE A 26 6.675 -3.120 44.352 1.00 0.00 C ATOM 339 C ILE A 26 5.708 -3.046 43.182 1.00 0.00 C ATOM 340 O ILE A 26 5.873 -3.734 42.176 1.00 0.00 O ATOM 341 CB ILE A 26 6.014 -3.960 45.461 1.00 0.00 C ATOM 342 CG1 ILE A 26 7.013 -4.243 46.584 1.00 0.00 C ATOM 343 CG2 ILE A 26 5.526 -5.288 44.903 1.00 0.00 C ATOM 344 CD1 ILE A 26 6.387 -4.847 47.821 1.00 0.00 C ATOM 0 H ILE A 26 6.559 -1.522 45.702 1.00 0.00 H new ATOM 0 HA ILE A 26 7.609 -3.591 44.047 1.00 0.00 H new ATOM 0 HB ILE A 26 5.170 -3.392 45.852 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.783 -4.919 46.211 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.511 -3.313 46.858 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.062 -5.869 45.700 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.796 -5.105 44.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.370 -5.843 44.494 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.158 -5.019 48.572 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.637 -4.164 48.220 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.914 -5.795 47.564 1.00 0.00 H new ATOM 356 N VAL A 27 4.694 -2.199 43.328 1.00 0.00 N ATOM 357 CA VAL A 27 3.678 -2.012 42.295 1.00 0.00 C ATOM 358 C VAL A 27 4.235 -1.189 41.144 1.00 0.00 C ATOM 359 O VAL A 27 3.837 -1.357 39.992 1.00 0.00 O ATOM 360 CB VAL A 27 2.441 -1.279 42.846 1.00 0.00 C ATOM 361 CG1 VAL A 27 2.755 0.189 43.087 1.00 0.00 C ATOM 362 CG2 VAL A 27 1.286 -1.368 41.860 1.00 0.00 C ATOM 0 H VAL A 27 4.553 -1.626 44.160 1.00 0.00 H new ATOM 0 HA VAL A 27 3.389 -3.005 41.951 1.00 0.00 H new ATOM 0 HB VAL A 27 2.163 -1.757 43.785 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.869 0.691 43.476 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.567 0.274 43.809 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.054 0.656 42.149 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.420 -0.845 42.266 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.578 -0.909 40.915 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.031 -2.414 41.691 1.00 0.00 H new ATOM 372 N GLY A 28 5.164 -0.296 41.472 1.00 0.00 N ATOM 373 CA GLY A 28 5.796 0.571 40.483 1.00 0.00 C ATOM 374 C GLY A 28 6.802 -0.212 39.655 1.00 0.00 C ATOM 375 O GLY A 28 7.127 0.161 38.529 1.00 0.00 O ATOM 0 H GLY A 28 5.498 -0.153 42.425 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.037 1.003 39.831 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.295 1.401 40.984 1.00 0.00 H new ATOM 379 N ALA A 29 7.293 -1.306 40.231 1.00 0.00 N ATOM 380 CA ALA A 29 8.269 -2.165 39.569 1.00 0.00 C ATOM 381 C ALA A 29 7.569 -3.167 38.664 1.00 0.00 C ATOM 382 O ALA A 29 8.088 -3.551 37.617 1.00 0.00 O ATOM 383 CB ALA A 29 9.084 -2.932 40.598 1.00 0.00 C ATOM 0 H ALA A 29 7.027 -1.620 41.164 1.00 0.00 H new ATOM 0 HA ALA A 29 8.926 -1.529 38.976 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.808 -3.568 40.088 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.610 -2.228 41.243 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.419 -3.550 41.201 1.00 0.00 H new ATOM 389 N LEU A 30 6.379 -3.586 39.085 1.00 0.00 N ATOM 390 CA LEU A 30 5.580 -4.548 38.330 1.00 0.00 C ATOM 391 C LEU A 30 5.350 -4.052 36.912 1.00 0.00 C ATOM 392 O LEU A 30 5.228 -4.839 35.975 1.00 0.00 O ATOM 393 CB LEU A 30 4.219 -4.754 38.997 1.00 0.00 C ATOM 394 CG LEU A 30 4.224 -5.505 40.330 1.00 0.00 C ATOM 395 CD1 LEU A 30 2.831 -5.526 40.940 1.00 0.00 C ATOM 396 CD2 LEU A 30 4.680 -6.943 40.136 1.00 0.00 C ATOM 0 H LEU A 30 5.943 -3.272 39.952 1.00 0.00 H new ATOM 0 HA LEU A 30 6.128 -5.490 38.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.765 -3.776 39.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.576 -5.294 38.302 1.00 0.00 H new ATOM 0 HG LEU A 30 4.913 -4.984 40.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.857 -6.065 41.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.494 -4.504 41.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.142 -6.024 40.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.676 -7.459 41.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.002 -7.450 39.449 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.689 -6.952 39.723 1.00 0.00 H new ATOM 408 N VAL A 31 5.292 -2.731 36.767 1.00 0.00 N ATOM 409 CA VAL A 31 5.077 -2.096 35.469 1.00 0.00 C ATOM 410 C VAL A 31 6.117 -2.570 34.467 1.00 0.00 C ATOM 411 O VAL A 31 5.832 -2.727 33.281 1.00 0.00 O ATOM 412 CB VAL A 31 5.178 -0.562 35.567 1.00 0.00 C ATOM 413 CG1 VAL A 31 5.180 0.061 34.180 1.00 0.00 C ATOM 414 CG2 VAL A 31 3.998 0.000 36.346 1.00 0.00 C ATOM 0 H VAL A 31 5.392 -2.074 37.540 1.00 0.00 H new ATOM 0 HA VAL A 31 4.075 -2.374 35.142 1.00 0.00 H new ATOM 0 HB VAL A 31 6.109 -0.322 36.081 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.252 1.145 34.268 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.032 -0.314 33.614 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.257 -0.201 33.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.085 1.085 36.406 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.069 -0.262 35.839 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.993 -0.420 37.352 1.00 0.00 H new ATOM 424 N ILE A 32 7.331 -2.797 34.961 1.00 0.00 N ATOM 425 CA ILE A 32 8.439 -3.256 34.128 1.00 0.00 C ATOM 426 C ILE A 32 8.159 -4.650 33.590 1.00 0.00 C ATOM 427 O ILE A 32 8.413 -4.944 32.423 1.00 0.00 O ATOM 428 CB ILE A 32 9.757 -3.311 34.922 1.00 0.00 C ATOM 429 CG1 ILE A 32 10.202 -1.901 35.316 1.00 0.00 C ATOM 430 CG2 ILE A 32 10.857 -3.948 34.086 1.00 0.00 C ATOM 431 CD1 ILE A 32 11.348 -1.876 36.303 1.00 0.00 C ATOM 0 H ILE A 32 7.574 -2.669 35.943 1.00 0.00 H new ATOM 0 HA ILE A 32 8.536 -2.543 33.310 1.00 0.00 H new ATOM 0 HB ILE A 32 9.582 -3.908 35.817 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.497 -1.359 34.418 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.353 -1.369 35.745 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.781 -3.979 34.663 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.566 -4.962 33.813 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.013 -3.360 33.182 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.607 -0.843 36.534 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.051 -2.389 37.218 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.213 -2.378 35.869 1.00 0.00 H new ATOM 443 N LEU A 33 7.631 -5.505 34.460 1.00 0.00 N ATOM 444 CA LEU A 33 7.304 -6.882 34.099 1.00 0.00 C ATOM 445 C LEU A 33 6.246 -6.909 33.008 1.00 0.00 C ATOM 446 O LEU A 33 6.381 -7.613 32.008 1.00 0.00 O ATOM 447 CB LEU A 33 6.766 -7.641 35.314 1.00 0.00 C ATOM 448 CG LEU A 33 7.784 -7.990 36.401 1.00 0.00 C ATOM 449 CD1 LEU A 33 7.095 -8.625 37.599 1.00 0.00 C ATOM 450 CD2 LEU A 33 8.820 -8.970 35.873 1.00 0.00 C ATOM 0 H LEU A 33 7.419 -5.266 35.429 1.00 0.00 H new ATOM 0 HA LEU A 33 8.217 -7.357 33.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.974 -7.045 35.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.308 -8.566 34.964 1.00 0.00 H new ATOM 0 HG LEU A 33 8.271 -7.062 36.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.837 -8.865 38.360 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.365 -7.928 38.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.588 -9.538 37.286 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.534 -9.205 36.662 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.324 -9.885 35.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.346 -8.524 35.029 1.00 0.00 H new ATOM 462 N ALA A 34 5.188 -6.131 33.214 1.00 0.00 N ATOM 463 CA ALA A 34 4.085 -6.045 32.260 1.00 0.00 C ATOM 464 C ALA A 34 4.589 -5.575 30.905 1.00 0.00 C ATOM 465 O ALA A 34 4.173 -6.078 29.862 1.00 0.00 O ATOM 466 CB ALA A 34 3.034 -5.061 32.751 1.00 0.00 C ATOM 0 H ALA A 34 5.070 -5.546 34.041 1.00 0.00 H new ATOM 0 HA ALA A 34 3.647 -7.039 32.166 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.219 -5.009 32.029 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.645 -5.394 33.713 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.483 -4.074 32.863 1.00 0.00 H new ATOM 472 N VAL A 35 5.493 -4.600 30.934 1.00 0.00 N ATOM 473 CA VAL A 35 6.074 -4.039 29.718 1.00 0.00 C ATOM 474 C VAL A 35 6.709 -5.134 28.877 1.00 0.00 C ATOM 475 O VAL A 35 6.550 -5.173 27.658 1.00 0.00 O ATOM 476 CB VAL A 35 7.163 -2.999 30.041 1.00 0.00 C ATOM 477 CG1 VAL A 35 7.895 -2.584 28.774 1.00 0.00 C ATOM 478 CG2 VAL A 35 6.545 -1.758 30.667 1.00 0.00 C ATOM 0 H VAL A 35 5.842 -4.179 31.795 1.00 0.00 H new ATOM 0 HA VAL A 35 5.262 -3.559 29.171 1.00 0.00 H new ATOM 0 HB VAL A 35 7.863 -3.457 30.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.661 -1.849 29.021 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.363 -3.458 28.321 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.186 -2.147 28.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.329 -1.034 30.889 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.830 -1.318 29.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.033 -2.032 31.589 1.00 0.00 H new ATOM 488 N ALA A 36 7.432 -6.026 29.547 1.00 0.00 N ATOM 489 CA ALA A 36 8.107 -7.140 28.885 1.00 0.00 C ATOM 490 C ALA A 36 7.090 -8.088 28.271 1.00 0.00 C ATOM 491 O ALA A 36 7.226 -8.510 27.123 1.00 0.00 O ATOM 492 CB ALA A 36 8.950 -7.918 29.884 1.00 0.00 C ATOM 0 H ALA A 36 7.567 -5.999 30.558 1.00 0.00 H new ATOM 0 HA ALA A 36 8.746 -6.727 28.104 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.446 -8.745 29.375 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.700 -7.257 30.320 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.309 -8.310 30.673 1.00 0.00 H new ATOM 498 N GLY A 37 6.067 -8.419 29.053 1.00 0.00 N ATOM 499 CA GLY A 37 5.007 -9.321 28.612 1.00 0.00 C ATOM 500 C GLY A 37 4.476 -8.893 27.253 1.00 0.00 C ATOM 501 O GLY A 37 4.535 -9.644 26.281 1.00 0.00 O ATOM 0 H GLY A 37 5.949 -8.072 30.005 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.389 -10.340 28.555 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.197 -9.324 29.341 1.00 0.00 H new ATOM 505 N LEU A 38 3.956 -7.670 27.199 1.00 0.00 N ATOM 506 CA LEU A 38 3.404 -7.110 25.968 1.00 0.00 C ATOM 507 C LEU A 38 4.472 -7.043 24.889 1.00 0.00 C ATOM 508 O LEU A 38 4.209 -7.311 23.718 1.00 0.00 O ATOM 509 CB LEU A 38 2.874 -5.696 26.213 1.00 0.00 C ATOM 510 CG LEU A 38 1.601 -5.585 27.054 1.00 0.00 C ATOM 511 CD1 LEU A 38 1.261 -4.128 27.325 1.00 0.00 C ATOM 512 CD2 LEU A 38 0.423 -6.222 26.333 1.00 0.00 C ATOM 0 H LEU A 38 3.905 -7.042 28.001 1.00 0.00 H new ATOM 0 HA LEU A 38 2.590 -7.758 25.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.658 -5.117 26.701 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.687 -5.229 25.246 1.00 0.00 H new ATOM 0 HG LEU A 38 1.786 -6.104 27.994 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.352 -4.072 27.924 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.082 -3.657 27.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.104 -3.609 26.379 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.472 -6.132 26.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.262 -5.715 25.382 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.634 -7.276 26.152 1.00 0.00 H new ATOM 524 N ILE A 39 5.683 -6.681 25.300 1.00 0.00 N ATOM 525 CA ILE A 39 6.817 -6.570 24.387 1.00 0.00 C ATOM 526 C ILE A 39 7.073 -7.896 23.692 1.00 0.00 C ATOM 527 O ILE A 39 7.301 -7.948 22.484 1.00 0.00 O ATOM 528 CB ILE A 39 8.104 -6.170 25.132 1.00 0.00 C ATOM 529 CG1 ILE A 39 7.988 -4.742 25.669 1.00 0.00 C ATOM 530 CG2 ILE A 39 9.303 -6.238 24.198 1.00 0.00 C ATOM 531 CD1 ILE A 39 7.782 -3.700 24.591 1.00 0.00 C ATOM 0 H ILE A 39 5.906 -6.457 26.270 1.00 0.00 H new ATOM 0 HA ILE A 39 6.563 -5.800 23.659 1.00 0.00 H new ATOM 0 HB ILE A 39 8.241 -6.867 25.959 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.156 -4.694 26.371 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.892 -4.499 26.228 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.204 -5.952 24.741 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.414 -7.255 23.821 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.152 -5.556 23.362 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.709 -2.713 25.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.626 -3.719 23.901 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.863 -3.917 24.046 1.00 0.00 H new ATOM 543 N TYR A 40 7.033 -8.972 24.474 1.00 0.00 N ATOM 544 CA TYR A 40 7.258 -10.320 23.959 1.00 0.00 C ATOM 545 C TYR A 40 6.111 -10.744 23.058 1.00 0.00 C ATOM 546 O TYR A 40 6.318 -11.347 22.006 1.00 0.00 O ATOM 547 CB TYR A 40 7.365 -11.322 25.110 1.00 0.00 C ATOM 548 CG TYR A 40 7.625 -12.743 24.663 1.00 0.00 C ATOM 549 CD1 TYR A 40 8.896 -13.144 24.272 1.00 0.00 C ATOM 550 CD2 TYR A 40 6.598 -13.679 24.633 1.00 0.00 C ATOM 551 CE1 TYR A 40 9.143 -14.441 23.862 1.00 0.00 C ATOM 552 CE2 TYR A 40 6.827 -14.979 24.225 1.00 0.00 C ATOM 553 CZ TYR A 40 8.113 -15.355 23.838 1.00 0.00 C ATOM 554 OH TYR A 40 8.356 -16.647 23.430 1.00 0.00 O ATOM 0 H TYR A 40 6.845 -8.935 25.476 1.00 0.00 H new ATOM 0 HA TYR A 40 8.189 -10.308 23.391 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.168 -11.009 25.778 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.441 -11.297 25.688 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.706 -12.430 24.289 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.603 -13.385 24.934 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.138 -14.736 23.562 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.019 -15.696 24.206 1.00 0.00 H new ATOM 0 HH TYR A 40 7.525 -17.165 23.472 1.00 0.00 H new ATOM 564 N SER A 41 4.893 -10.421 23.486 1.00 0.00 N ATOM 565 CA SER A 41 3.688 -10.757 22.735 1.00 0.00 C ATOM 566 C SER A 41 3.722 -10.117 21.357 1.00 0.00 C ATOM 567 O SER A 41 3.501 -10.776 20.343 1.00 0.00 O ATOM 568 CB SER A 41 2.442 -10.257 23.469 1.00 0.00 C ATOM 569 OG SER A 41 2.265 -10.940 24.698 1.00 0.00 O ATOM 0 H SER A 41 4.715 -9.922 24.358 1.00 0.00 H new ATOM 0 HA SER A 41 3.650 -11.842 22.638 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.530 -9.186 23.654 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.564 -10.401 22.840 1.00 0.00 H new ATOM 0 HG SER A 41 2.927 -10.622 25.347 1.00 0.00 H new ATOM 575 N MET A 42 4.004 -8.817 21.335 1.00 0.00 N ATOM 576 CA MET A 42 4.076 -8.055 20.091 1.00 0.00 C ATOM 577 C MET A 42 5.210 -8.566 19.218 1.00 0.00 C ATOM 578 O MET A 42 5.071 -8.691 18.002 1.00 0.00 O ATOM 579 CB MET A 42 4.321 -6.573 20.384 1.00 0.00 C ATOM 580 CG MET A 42 4.327 -5.689 19.147 1.00 0.00 C ATOM 581 SD MET A 42 4.588 -3.948 19.538 1.00 0.00 S ATOM 582 CE MET A 42 6.308 -3.967 20.035 1.00 0.00 C ATOM 0 H MET A 42 4.188 -8.265 22.173 1.00 0.00 H new ATOM 0 HA MET A 42 3.126 -8.177 19.571 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.551 -6.217 21.068 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.277 -6.468 20.897 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.110 -6.026 18.468 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.379 -5.801 18.621 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.689 -2.946 20.068 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.396 -4.419 21.023 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.888 -4.547 19.317 1.00 0.00 H new ATOM 592 N LEU A 43 6.339 -8.861 19.857 1.00 0.00 N ATOM 593 CA LEU A 43 7.521 -9.363 19.163 1.00 0.00 C ATOM 594 C LEU A 43 7.330 -10.820 18.772 1.00 0.00 C ATOM 595 O LEU A 43 7.715 -11.241 17.683 1.00 0.00 O ATOM 596 CB LEU A 43 8.754 -9.261 20.063 1.00 0.00 C ATOM 597 CG LEU A 43 9.277 -7.850 20.340 1.00 0.00 C ATOM 598 CD1 LEU A 43 10.419 -7.888 21.344 1.00 0.00 C ATOM 599 CD2 LEU A 43 9.789 -7.206 19.061 1.00 0.00 C ATOM 0 H LEU A 43 6.460 -8.760 20.865 1.00 0.00 H new ATOM 0 HA LEU A 43 7.664 -8.756 18.269 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.521 -9.733 21.018 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.558 -9.841 19.609 1.00 0.00 H new ATOM 0 HG LEU A 43 8.448 -7.268 20.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.776 -6.875 21.527 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.067 -8.323 22.279 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.233 -8.494 20.946 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.156 -6.203 19.280 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.600 -7.808 18.650 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.978 -7.145 18.335 1.00 0.00 H new ATOM 611 N ARG A 44 6.727 -11.584 19.678 1.00 0.00 N ATOM 612 CA ARG A 44 6.470 -13.003 19.455 1.00 0.00 C ATOM 613 C ARG A 44 5.205 -13.193 18.634 1.00 0.00 C ATOM 614 O ARG A 44 5.096 -14.124 17.838 1.00 0.00 O ATOM 615 CB ARG A 44 6.294 -13.732 20.789 1.00 0.00 C ATOM 616 CG ARG A 44 6.113 -15.235 20.655 1.00 0.00 C ATOM 617 CD ARG A 44 7.375 -15.899 20.131 1.00 0.00 C ATOM 618 NE ARG A 44 7.222 -17.348 20.012 1.00 0.00 N ATOM 619 CZ ARG A 44 8.109 -18.147 19.427 1.00 0.00 C ATOM 620 NH1 ARG A 44 9.216 -17.638 18.904 1.00 0.00 N ATOM 621 NH2 ARG A 44 7.885 -19.452 19.366 1.00 0.00 N ATOM 0 H ARG A 44 6.404 -11.240 20.582 1.00 0.00 H new ATOM 0 HA ARG A 44 7.325 -13.414 18.918 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.164 -13.536 21.416 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.429 -13.317 21.306 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.852 -15.660 21.624 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.283 -15.445 19.981 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.628 -15.480 19.157 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.207 -15.676 20.799 1.00 0.00 H new ATOM 0 HE ARG A 44 6.381 -17.773 20.403 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.387 -16.634 18.951 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.897 -18.251 18.455 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.033 -19.842 19.768 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.565 -20.066 18.917 1.00 0.00 H new ATOM 635 N LYS A 45 4.247 -12.293 18.840 1.00 0.00 N ATOM 636 CA LYS A 45 2.972 -12.335 18.130 1.00 0.00 C ATOM 637 C LYS A 45 3.152 -11.898 16.686 1.00 0.00 C ATOM 638 O LYS A 45 2.654 -12.538 15.761 1.00 0.00 O ATOM 639 CB LYS A 45 1.958 -11.402 18.794 1.00 0.00 C ATOM 640 CG LYS A 45 0.581 -11.422 18.150 1.00 0.00 C ATOM 641 CD LYS A 45 -0.389 -10.518 18.893 1.00 0.00 C ATOM 642 CE LYS A 45 -1.762 -10.526 18.240 1.00 0.00 C ATOM 643 NZ LYS A 45 -2.727 -9.654 18.964 1.00 0.00 N ATOM 0 H LYS A 45 4.331 -11.519 19.499 1.00 0.00 H new ATOM 0 HA LYS A 45 2.608 -13.362 18.163 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.860 -11.678 19.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.345 -10.384 18.767 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.658 -11.101 17.111 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.196 -12.442 18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.475 -10.846 19.929 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.001 -9.500 18.912 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.674 -10.190 17.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.145 -11.546 18.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.651 -9.687 18.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.831 -9.989 19.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.375 -8.675 18.968 1.00 0.00 H new ATOM 657 N ALA A 46 3.872 -10.794 16.505 1.00 0.00 N ATOM 658 CA ALA A 46 4.136 -10.244 15.179 1.00 0.00 C ATOM 659 C ALA A 46 4.984 -8.986 15.302 1.00 0.00 C ATOM 660 O ALA A 46 5.340 -8.579 16.406 1.00 0.00 O ATOM 661 CB ALA A 46 2.812 -9.938 14.483 1.00 0.00 C ATOM 0 H ALA A 46 4.286 -10.259 17.268 1.00 0.00 H new ATOM 0 HA ALA A 46 4.686 -10.972 14.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.008 -9.527 13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.231 -10.855 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.250 -9.213 15.072 1.00 0.00 H new