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= -1.99 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -174:sc= -1.44 (180deg=-0.332) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.191 (180deg=-0.663) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.261 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 105:sc= 0.955 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 73:sc= 0.294 USER MOD Single : A 42 MET CE :methyl 166:sc= -0.0103 (180deg=-0.238) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.772 5.485 56.773 1.00 0.00 N ATOM 2 CA GLY A 1 17.058 6.152 56.815 1.00 0.00 C ATOM 3 C GLY A 1 17.942 5.649 55.685 1.00 0.00 C ATOM 4 O GLY A 1 17.536 4.797 54.898 1.00 0.00 O ATOM 0 H1 GLY A 1 15.012 6.192 56.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.682 4.960 55.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.698 4.824 57.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.921 7.230 56.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.541 5.968 57.775 1.00 0.00 H new ATOM 8 N VAL A 2 19.155 6.192 55.620 1.00 0.00 N ATOM 9 CA VAL A 2 20.123 5.817 54.594 1.00 0.00 C ATOM 10 C VAL A 2 20.623 4.400 54.825 1.00 0.00 C ATOM 11 O VAL A 2 20.734 3.605 53.893 1.00 0.00 O ATOM 12 CB VAL A 2 21.344 6.756 54.599 1.00 0.00 C ATOM 13 CG1 VAL A 2 22.418 6.238 53.656 1.00 0.00 C ATOM 14 CG2 VAL A 2 20.943 8.153 54.152 1.00 0.00 C ATOM 0 H VAL A 2 19.493 6.900 56.272 1.00 0.00 H new ATOM 0 HA VAL A 2 19.611 5.890 53.635 1.00 0.00 H new ATOM 0 HB VAL A 2 21.732 6.791 55.617 1.00 0.00 H new ATOM 0 HG11 VAL A 2 23.273 6.914 53.672 1.00 0.00 H new ATOM 0 HG12 VAL A 2 22.734 5.245 53.975 1.00 0.00 H new ATOM 0 HG13 VAL A 2 22.018 6.184 52.644 1.00 0.00 H new ATOM 0 HG21 VAL A 2 21.818 8.803 54.162 1.00 0.00 H new ATOM 0 HG22 VAL A 2 20.535 8.109 53.142 1.00 0.00 H new ATOM 0 HG23 VAL A 2 20.189 8.550 54.831 1.00 0.00 H new ATOM 24 N ILE A 3 20.924 4.095 56.084 1.00 0.00 N ATOM 25 CA ILE A 3 21.415 2.776 56.471 1.00 0.00 C ATOM 26 C ILE A 3 20.338 1.724 56.263 1.00 0.00 C ATOM 27 O ILE A 3 20.614 0.611 55.819 1.00 0.00 O ATOM 28 CB ILE A 3 21.830 2.741 57.954 1.00 0.00 C ATOM 29 CG1 ILE A 3 23.054 3.630 58.186 1.00 0.00 C ATOM 30 CG2 ILE A 3 22.178 1.322 58.376 1.00 0.00 C ATOM 31 CD1 ILE A 3 23.380 3.850 59.647 1.00 0.00 C ATOM 0 H ILE A 3 20.835 4.751 56.860 1.00 0.00 H new ATOM 0 HA ILE A 3 22.282 2.565 55.844 1.00 0.00 H new ATOM 0 HB ILE A 3 20.990 3.106 58.545 1.00 0.00 H new ATOM 0 HG12 ILE A 3 23.917 3.180 57.694 1.00 0.00 H new ATOM 0 HG13 ILE A 3 22.885 4.597 57.711 1.00 0.00 H new ATOM 0 HG21 ILE A 3 22.469 1.316 59.426 1.00 0.00 H new ATOM 0 HG22 ILE A 3 21.310 0.678 58.236 1.00 0.00 H new ATOM 0 HG23 ILE A 3 23.005 0.954 57.768 1.00 0.00 H new ATOM 0 HD11 ILE A 3 24.259 4.489 59.731 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.534 4.329 60.140 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.582 2.891 60.123 1.00 0.00 H new ATOM 43 N ASP A 4 19.104 2.093 56.591 1.00 0.00 N ATOM 44 CA ASP A 4 17.959 1.199 56.451 1.00 0.00 C ATOM 45 C ASP A 4 17.905 0.620 55.046 1.00 0.00 C ATOM 46 O ASP A 4 17.612 -0.559 54.855 1.00 0.00 O ATOM 47 CB ASP A 4 16.654 1.954 56.714 1.00 0.00 C ATOM 48 CG ASP A 4 16.471 2.309 58.176 1.00 0.00 C ATOM 49 OD1 ASP A 4 15.378 2.795 58.537 1.00 0.00 O ATOM 50 OD2 ASP A 4 17.420 2.102 58.961 1.00 0.00 O ATOM 0 H ASP A 4 18.870 3.015 56.959 1.00 0.00 H new ATOM 0 HA ASP A 4 18.074 0.395 57.178 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.640 2.866 56.118 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.813 1.344 56.384 1.00 0.00 H new ATOM 56 N THR A 5 18.191 1.469 54.063 1.00 0.00 N ATOM 57 CA THR A 5 18.182 1.069 52.659 1.00 0.00 C ATOM 58 C THR A 5 19.581 0.681 52.208 1.00 0.00 C ATOM 59 O THR A 5 19.794 0.290 51.062 1.00 0.00 O ATOM 60 CB THR A 5 17.691 2.211 51.750 1.00 0.00 C ATOM 61 OG1 THR A 5 18.576 3.332 51.865 1.00 0.00 O ATOM 62 CG2 THR A 5 16.290 2.647 52.152 1.00 0.00 C ATOM 0 H THR A 5 18.434 2.448 54.215 1.00 0.00 H new ATOM 0 HA THR A 5 17.504 0.220 52.575 1.00 0.00 H new ATOM 0 HB THR A 5 17.674 1.851 50.721 1.00 0.00 H new ATOM 0 HG1 THR A 5 19.206 3.178 52.600 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.959 3.455 51.499 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.606 1.803 52.061 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.300 2.996 53.185 1.00 0.00 H new ATOM 70 N SER A 6 20.534 0.794 53.129 1.00 0.00 N ATOM 71 CA SER A 6 21.928 0.461 52.853 1.00 0.00 C ATOM 72 C SER A 6 22.028 -0.899 52.181 1.00 0.00 C ATOM 73 O SER A 6 22.529 -1.022 51.064 1.00 0.00 O ATOM 74 CB SER A 6 22.736 0.419 54.152 1.00 0.00 C ATOM 75 OG SER A 6 24.090 0.088 53.899 1.00 0.00 O ATOM 0 H SER A 6 20.363 1.117 54.081 1.00 0.00 H new ATOM 0 HA SER A 6 22.328 1.230 52.193 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.682 1.387 54.649 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.300 -0.313 54.832 1.00 0.00 H new ATOM 0 HG SER A 6 24.586 0.069 54.744 1.00 0.00 H new ATOM 81 N ALA A 7 21.544 -1.922 52.880 1.00 0.00 N ATOM 82 CA ALA A 7 21.565 -3.291 52.374 1.00 0.00 C ATOM 83 C ALA A 7 20.778 -3.392 51.077 1.00 0.00 C ATOM 84 O ALA A 7 21.193 -4.061 50.131 1.00 0.00 O ATOM 85 CB ALA A 7 20.946 -4.241 53.388 1.00 0.00 C ATOM 0 H ALA A 7 21.129 -1.827 53.807 1.00 0.00 H new ATOM 0 HA ALA A 7 22.605 -3.565 52.197 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.969 -5.258 52.996 1.00 0.00 H new ATOM 0 HB2 ALA A 7 21.511 -4.198 54.319 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.913 -3.949 53.577 1.00 0.00 H new ATOM 91 N VAL A 8 19.633 -2.717 51.046 1.00 0.00 N ATOM 92 CA VAL A 8 18.762 -2.711 49.874 1.00 0.00 C ATOM 93 C VAL A 8 19.470 -2.078 48.688 1.00 0.00 C ATOM 94 O VAL A 8 19.377 -2.560 47.560 1.00 0.00 O ATOM 95 CB VAL A 8 17.470 -1.914 50.135 1.00 0.00 C ATOM 96 CG1 VAL A 8 16.680 -1.744 48.846 1.00 0.00 C ATOM 97 CG2 VAL A 8 16.593 -2.637 51.145 1.00 0.00 C ATOM 0 H VAL A 8 19.284 -2.162 51.827 1.00 0.00 H new ATOM 0 HA VAL A 8 18.512 -3.750 49.660 1.00 0.00 H new ATOM 0 HB VAL A 8 17.755 -0.937 50.526 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.770 -1.179 49.049 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.286 -1.207 48.116 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.417 -2.724 48.448 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.685 -2.060 51.317 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.329 -3.622 50.759 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.135 -2.749 52.084 1.00 0.00 H new ATOM 107 N GLU A 9 20.183 -0.988 48.958 1.00 0.00 N ATOM 108 CA GLU A 9 20.923 -0.264 47.928 1.00 0.00 C ATOM 109 C GLU A 9 21.908 -1.188 47.231 1.00 0.00 C ATOM 110 O GLU A 9 22.098 -1.117 46.018 1.00 0.00 O ATOM 111 CB GLU A 9 21.704 0.898 48.546 1.00 0.00 C ATOM 112 CG GLU A 9 22.451 1.751 47.534 1.00 0.00 C ATOM 113 CD GLU A 9 23.171 2.920 48.177 1.00 0.00 C ATOM 114 OE1 GLU A 9 23.087 3.062 49.415 1.00 0.00 O ATOM 115 OE2 GLU A 9 23.819 3.695 47.442 1.00 0.00 O ATOM 0 H GLU A 9 20.264 -0.583 49.891 1.00 0.00 H new ATOM 0 HA GLU A 9 20.200 0.118 47.207 1.00 0.00 H new ATOM 0 HB2 GLU A 9 21.012 1.533 49.100 1.00 0.00 H new ATOM 0 HB3 GLU A 9 22.418 0.499 49.267 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.174 1.131 47.004 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.748 2.126 46.791 1.00 0.00 H new ATOM 123 N SER A 10 22.534 -2.059 48.017 1.00 0.00 N ATOM 124 CA SER A 10 23.509 -3.014 47.501 1.00 0.00 C ATOM 125 C SER A 10 22.808 -4.221 46.900 1.00 0.00 C ATOM 126 O SER A 10 23.119 -4.651 45.791 1.00 0.00 O ATOM 127 CB SER A 10 24.429 -3.499 48.623 1.00 0.00 C ATOM 128 OG SER A 10 25.199 -2.432 49.149 1.00 0.00 O ATOM 0 H SER A 10 22.381 -2.123 49.023 1.00 0.00 H new ATOM 0 HA SER A 10 24.095 -2.507 46.734 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.833 -3.948 49.418 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.091 -4.277 48.243 1.00 0.00 H new ATOM 0 HG SER A 10 25.777 -2.768 49.865 1.00 0.00 H new ATOM 134 N ALA A 11 21.851 -4.762 47.651 1.00 0.00 N ATOM 135 CA ALA A 11 21.084 -5.925 47.216 1.00 0.00 C ATOM 136 C ALA A 11 20.215 -5.573 46.020 1.00 0.00 C ATOM 137 O ALA A 11 20.061 -6.364 45.091 1.00 0.00 O ATOM 138 CB ALA A 11 20.183 -6.416 48.339 1.00 0.00 C ATOM 0 H ALA A 11 21.588 -4.409 48.571 1.00 0.00 H new ATOM 0 HA ALA A 11 21.791 -6.707 46.940 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.618 -7.284 47.999 1.00 0.00 H new ATOM 0 HB2 ALA A 11 20.792 -6.694 49.199 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.493 -5.622 48.625 1.00 0.00 H new ATOM 144 N ILE A 12 19.647 -4.371 46.056 1.00 0.00 N ATOM 145 CA ILE A 12 18.784 -3.883 44.985 1.00 0.00 C ATOM 146 C ILE A 12 19.586 -3.668 43.712 1.00 0.00 C ATOM 147 O ILE A 12 19.172 -4.066 42.624 1.00 0.00 O ATOM 148 CB ILE A 12 18.122 -2.544 45.360 1.00 0.00 C ATOM 149 CG1 ILE A 12 17.139 -2.740 46.515 1.00 0.00 C ATOM 150 CG2 ILE A 12 17.362 -1.975 44.171 1.00 0.00 C ATOM 151 CD1 ILE A 12 16.009 -3.696 46.200 1.00 0.00 C ATOM 0 H ILE A 12 19.771 -3.711 46.824 1.00 0.00 H new ATOM 0 HA ILE A 12 18.014 -4.639 44.829 1.00 0.00 H new ATOM 0 HB ILE A 12 18.911 -1.854 45.659 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.683 -3.109 47.384 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.718 -1.773 46.790 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.900 -1.029 44.453 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.052 -1.810 43.344 1.00 0.00 H new ATOM 0 HG23 ILE A 12 16.588 -2.679 43.863 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.354 -3.783 47.067 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.439 -3.318 45.351 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.419 -4.676 45.955 1.00 0.00 H new ATOM 163 N THR A 13 20.744 -3.031 43.863 1.00 0.00 N ATOM 164 CA THR A 13 21.631 -2.747 42.738 1.00 0.00 C ATOM 165 C THR A 13 22.153 -4.039 42.132 1.00 0.00 C ATOM 166 O THR A 13 22.222 -4.188 40.913 1.00 0.00 O ATOM 167 CB THR A 13 22.844 -1.905 43.174 1.00 0.00 C ATOM 168 OG1 THR A 13 22.396 -0.642 43.681 1.00 0.00 O ATOM 169 CG2 THR A 13 23.774 -1.660 41.996 1.00 0.00 C ATOM 0 H THR A 13 21.093 -2.699 44.762 1.00 0.00 H new ATOM 0 HA THR A 13 21.045 -2.191 42.006 1.00 0.00 H new ATOM 0 HB THR A 13 23.382 -2.451 43.949 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.465 -0.639 44.659 1.00 0.00 H new ATOM 0 HG21 THR A 13 24.626 -1.063 42.323 1.00 0.00 H new ATOM 0 HG22 THR A 13 24.128 -2.615 41.607 1.00 0.00 H new ATOM 0 HG23 THR A 13 23.236 -1.126 41.213 1.00 0.00 H new ATOM 177 N ASP A 14 22.521 -4.976 43.003 1.00 0.00 N ATOM 178 CA ASP A 14 23.043 -6.271 42.581 1.00 0.00 C ATOM 179 C ASP A 14 21.951 -7.096 41.920 1.00 0.00 C ATOM 180 O ASP A 14 22.132 -7.632 40.828 1.00 0.00 O ATOM 181 CB ASP A 14 23.577 -7.051 43.784 1.00 0.00 C ATOM 182 CG ASP A 14 24.863 -6.466 44.334 1.00 0.00 C ATOM 183 OD1 ASP A 14 25.467 -7.095 45.228 1.00 0.00 O ATOM 184 OD2 ASP A 14 25.267 -5.379 43.870 1.00 0.00 O ATOM 0 H ASP A 14 22.466 -4.859 44.015 1.00 0.00 H new ATOM 0 HA ASP A 14 23.849 -6.088 41.871 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.822 -7.061 44.570 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.749 -8.087 43.493 1.00 0.00 H new ATOM 190 N GLY A 15 20.811 -7.189 42.598 1.00 0.00 N ATOM 191 CA GLY A 15 19.666 -7.944 42.098 1.00 0.00 C ATOM 192 C GLY A 15 18.857 -7.104 41.123 1.00 0.00 C ATOM 193 O GLY A 15 18.809 -7.387 39.927 1.00 0.00 O ATOM 0 H GLY A 15 20.655 -6.746 43.504 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.010 -8.853 41.605 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.035 -8.253 42.931 1.00 0.00 H new ATOM 197 N GLN A 16 18.222 -6.063 41.652 1.00 0.00 N ATOM 198 CA GLN A 16 17.404 -5.158 40.850 1.00 0.00 C ATOM 199 C GLN A 16 18.163 -4.712 39.610 1.00 0.00 C ATOM 200 O GLN A 16 17.686 -4.857 38.486 1.00 0.00 O ATOM 201 CB GLN A 16 17.028 -3.916 41.660 1.00 0.00 C ATOM 202 CG GLN A 16 16.137 -2.935 40.915 1.00 0.00 C ATOM 203 CD GLN A 16 14.777 -3.517 40.587 1.00 0.00 C ATOM 204 OE1 GLN A 16 14.062 -3.986 41.472 1.00 0.00 O ATOM 205 NE2 GLN A 16 14.415 -3.489 39.309 1.00 0.00 N ATOM 0 H GLN A 16 18.259 -5.823 42.643 1.00 0.00 H new ATOM 0 HA GLN A 16 16.502 -5.696 40.558 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.521 -4.230 42.572 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.941 -3.403 41.963 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.008 -2.037 41.519 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.630 -2.631 39.992 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.042 -3.090 38.610 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.511 -3.867 39.027 1.00 0.00 H new ATOM 214 N GLY A 17 19.356 -4.167 39.832 1.00 0.00 N ATOM 215 CA GLY A 17 20.208 -3.688 38.747 1.00 0.00 C ATOM 216 C GLY A 17 20.372 -4.764 37.685 1.00 0.00 C ATOM 217 O GLY A 17 20.235 -4.504 36.491 1.00 0.00 O ATOM 0 H GLY A 17 19.757 -4.045 40.762 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.772 -2.793 38.302 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.184 -3.405 39.141 1.00 0.00 H new ATOM 221 N ASP A 18 20.668 -5.979 38.138 1.00 0.00 N ATOM 222 CA ASP A 18 20.858 -7.119 37.246 1.00 0.00 C ATOM 223 C ASP A 18 19.633 -7.316 36.367 1.00 0.00 C ATOM 224 O ASP A 18 19.673 -8.041 35.374 1.00 0.00 O ATOM 225 CB ASP A 18 21.086 -8.399 38.053 1.00 0.00 C ATOM 226 CG ASP A 18 22.433 -8.418 38.747 1.00 0.00 C ATOM 227 OD1 ASP A 18 23.058 -9.498 38.802 1.00 0.00 O ATOM 228 OD2 ASP A 18 22.865 -7.353 39.236 1.00 0.00 O ATOM 0 H ASP A 18 20.782 -6.200 39.127 1.00 0.00 H new ATOM 0 HA ASP A 18 21.730 -6.914 36.625 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.296 -8.500 38.798 1.00 0.00 H new ATOM 0 HB3 ASP A 18 21.011 -9.261 37.390 1.00 0.00 H new ATOM 234 N MET A 19 18.541 -6.658 36.746 1.00 0.00 N ATOM 235 CA MET A 19 17.284 -6.742 36.009 1.00 0.00 C ATOM 236 C MET A 19 17.441 -6.148 34.619 1.00 0.00 C ATOM 237 O MET A 19 16.955 -6.699 33.633 1.00 0.00 O ATOM 238 CB MET A 19 16.181 -5.974 36.741 1.00 0.00 C ATOM 239 CG MET A 19 14.813 -6.078 36.086 1.00 0.00 C ATOM 240 SD MET A 19 13.541 -5.172 36.987 1.00 0.00 S ATOM 241 CE MET A 19 13.395 -6.173 38.465 1.00 0.00 C ATOM 0 H MET A 19 18.502 -6.055 37.568 1.00 0.00 H new ATOM 0 HA MET A 19 17.014 -7.795 35.933 1.00 0.00 H new ATOM 0 HB2 MET A 19 16.112 -6.345 37.763 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.464 -4.923 36.802 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.873 -5.696 35.067 1.00 0.00 H new ATOM 0 HG3 MET A 19 14.526 -7.127 36.017 1.00 0.00 H new ATOM 0 HE1 MET A 19 12.571 -5.803 39.075 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.202 -7.209 38.185 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.322 -6.117 39.035 1.00 0.00 H new ATOM 251 N LYS A 20 18.130 -5.012 34.554 1.00 0.00 N ATOM 252 CA LYS A 20 18.370 -4.316 33.293 1.00 0.00 C ATOM 253 C LYS A 20 19.087 -5.228 32.310 1.00 0.00 C ATOM 254 O LYS A 20 18.768 -5.260 31.123 1.00 0.00 O ATOM 255 CB LYS A 20 19.236 -3.076 33.522 1.00 0.00 C ATOM 256 CG LYS A 20 19.485 -2.253 32.269 1.00 0.00 C ATOM 257 CD LYS A 20 20.303 -1.009 32.578 1.00 0.00 C ATOM 258 CE LYS A 20 20.564 -0.194 31.322 1.00 0.00 C ATOM 259 NZ LYS A 20 21.354 1.035 31.612 1.00 0.00 N ATOM 0 H LYS A 20 18.535 -4.550 35.368 1.00 0.00 H new ATOM 0 HA LYS A 20 17.402 -4.021 32.887 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.756 -2.444 34.269 1.00 0.00 H new ATOM 0 HB3 LYS A 20 20.195 -3.387 33.936 1.00 0.00 H new ATOM 0 HG2 LYS A 20 20.008 -2.860 31.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.532 -1.963 31.826 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.775 -0.396 33.309 1.00 0.00 H new ATOM 0 HD3 LYS A 20 21.252 -1.298 33.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 21.099 -0.807 30.596 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.614 0.084 30.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.511 1.563 30.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.832 1.632 32.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 22.271 0.769 32.024 1.00 0.00 H new ATOM 273 N ALA A 21 20.065 -5.971 32.823 1.00 0.00 N ATOM 274 CA ALA A 21 20.849 -6.896 32.011 1.00 0.00 C ATOM 275 C ALA A 21 19.989 -8.063 31.553 1.00 0.00 C ATOM 276 O ALA A 21 20.070 -8.501 30.407 1.00 0.00 O ATOM 277 CB ALA A 21 22.019 -7.445 32.813 1.00 0.00 C ATOM 0 H ALA A 21 20.334 -5.949 33.807 1.00 0.00 H new ATOM 0 HA ALA A 21 21.219 -6.348 31.144 1.00 0.00 H new ATOM 0 HB1 ALA A 21 22.594 -8.133 32.193 1.00 0.00 H new ATOM 0 HB2 ALA A 21 22.659 -6.623 33.132 1.00 0.00 H new ATOM 0 HB3 ALA A 21 21.643 -7.973 33.689 1.00 0.00 H new ATOM 283 N ILE A 22 19.161 -8.560 32.468 1.00 0.00 N ATOM 284 CA ILE A 22 18.270 -9.682 32.185 1.00 0.00 C ATOM 285 C ILE A 22 17.252 -9.298 31.123 1.00 0.00 C ATOM 286 O ILE A 22 17.050 -10.018 30.147 1.00 0.00 O ATOM 287 CB ILE A 22 17.499 -10.122 33.443 1.00 0.00 C ATOM 288 CG1 ILE A 22 18.457 -10.726 34.472 1.00 0.00 C ATOM 289 CG2 ILE A 22 16.451 -11.166 33.089 1.00 0.00 C ATOM 290 CD1 ILE A 22 17.829 -10.958 35.829 1.00 0.00 C ATOM 0 H ILE A 22 19.089 -8.200 33.420 1.00 0.00 H new ATOM 0 HA ILE A 22 18.896 -10.503 31.836 1.00 0.00 H new ATOM 0 HB ILE A 22 17.014 -9.240 33.861 1.00 0.00 H new ATOM 0 HG12 ILE A 22 18.835 -11.674 34.090 1.00 0.00 H new ATOM 0 HG13 ILE A 22 19.315 -10.064 34.588 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.916 -11.465 33.991 1.00 0.00 H new ATOM 0 HG22 ILE A 22 15.746 -10.745 32.372 1.00 0.00 H new ATOM 0 HG23 ILE A 22 16.938 -12.037 32.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.569 -11.388 36.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.476 -10.009 36.234 1.00 0.00 H new ATOM 0 HD13 ILE A 22 16.988 -11.644 35.728 1.00 0.00 H new ATOM 302 N GLY A 23 16.614 -8.150 31.327 1.00 0.00 N ATOM 303 CA GLY A 23 15.607 -7.641 30.399 1.00 0.00 C ATOM 304 C GLY A 23 16.246 -7.278 29.068 1.00 0.00 C ATOM 305 O GLY A 23 15.720 -7.594 28.002 1.00 0.00 O ATOM 0 H GLY A 23 16.778 -7.549 32.134 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.833 -8.393 30.245 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.120 -6.765 30.826 1.00 0.00 H new ATOM 309 N GLY A 24 17.391 -6.606 29.145 1.00 0.00 N ATOM 310 CA GLY A 24 18.128 -6.183 27.958 1.00 0.00 C ATOM 311 C GLY A 24 18.685 -7.389 27.219 1.00 0.00 C ATOM 312 O GLY A 24 18.448 -7.570 26.026 1.00 0.00 O ATOM 0 H GLY A 24 17.832 -6.341 30.026 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.471 -5.616 27.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.942 -5.518 28.246 1.00 0.00 H new ATOM 316 N TYR A 25 19.432 -8.215 27.947 1.00 0.00 N ATOM 317 CA TYR A 25 20.040 -9.417 27.385 1.00 0.00 C ATOM 318 C TYR A 25 18.979 -10.305 26.756 1.00 0.00 C ATOM 319 O TYR A 25 19.189 -10.895 25.697 1.00 0.00 O ATOM 320 CB TYR A 25 20.755 -10.216 28.476 1.00 0.00 C ATOM 321 CG TYR A 25 21.402 -11.489 27.979 1.00 0.00 C ATOM 322 CD1 TYR A 25 22.611 -11.452 27.295 1.00 0.00 C ATOM 323 CD2 TYR A 25 20.803 -12.723 28.195 1.00 0.00 C ATOM 324 CE1 TYR A 25 23.210 -12.610 26.837 1.00 0.00 C ATOM 325 CE2 TYR A 25 21.387 -13.892 27.744 1.00 0.00 C ATOM 326 CZ TYR A 25 22.601 -13.826 27.060 1.00 0.00 C ATOM 327 OH TYR A 25 23.195 -14.980 26.605 1.00 0.00 O ATOM 0 H TYR A 25 19.632 -8.071 28.937 1.00 0.00 H new ATOM 0 HA TYR A 25 20.757 -9.103 26.627 1.00 0.00 H new ATOM 0 HB2 TYR A 25 21.519 -9.586 28.932 1.00 0.00 H new ATOM 0 HB3 TYR A 25 20.038 -10.466 29.258 1.00 0.00 H new ATOM 0 HD1 TYR A 25 23.091 -10.501 27.118 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.863 -12.770 28.725 1.00 0.00 H new ATOM 0 HE1 TYR A 25 24.150 -12.562 26.307 1.00 0.00 H new ATOM 0 HE2 TYR A 25 20.909 -14.845 27.919 1.00 0.00 H new ATOM 0 HH TYR A 25 22.639 -15.751 26.845 1.00 0.00 H new ATOM 337 N ILE A 26 17.832 -10.393 27.424 1.00 0.00 N ATOM 338 CA ILE A 26 16.714 -11.205 26.952 1.00 0.00 C ATOM 339 C ILE A 26 16.021 -10.526 25.782 1.00 0.00 C ATOM 340 O ILE A 26 15.705 -11.159 24.776 1.00 0.00 O ATOM 341 CB ILE A 26 15.668 -11.424 28.061 1.00 0.00 C ATOM 342 CG1 ILE A 26 16.252 -12.283 29.183 1.00 0.00 C ATOM 343 CG2 ILE A 26 14.440 -12.128 27.503 1.00 0.00 C ATOM 344 CD1 ILE A 26 15.384 -12.344 30.421 1.00 0.00 C ATOM 0 H ILE A 26 17.652 -9.907 28.302 1.00 0.00 H new ATOM 0 HA ILE A 26 17.127 -12.166 26.646 1.00 0.00 H new ATOM 0 HB ILE A 26 15.387 -10.446 28.452 1.00 0.00 H new ATOM 0 HG12 ILE A 26 16.407 -13.295 28.810 1.00 0.00 H new ATOM 0 HG13 ILE A 26 17.231 -11.890 29.456 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.711 -12.275 28.300 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.998 -11.519 26.715 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.730 -13.096 27.094 1.00 0.00 H new ATOM 0 HD11 ILE A 26 15.865 -12.971 31.172 1.00 0.00 H new ATOM 0 HD12 ILE A 26 15.249 -11.339 30.821 1.00 0.00 H new ATOM 0 HD13 ILE A 26 14.412 -12.766 30.164 1.00 0.00 H new ATOM 356 N VAL A 27 15.788 -9.225 25.928 1.00 0.00 N ATOM 357 CA VAL A 27 15.130 -8.429 24.895 1.00 0.00 C ATOM 358 C VAL A 27 16.085 -8.157 23.744 1.00 0.00 C ATOM 359 O VAL A 27 15.673 -8.030 22.592 1.00 0.00 O ATOM 360 CB VAL A 27 14.654 -7.072 25.446 1.00 0.00 C ATOM 361 CG1 VAL A 27 14.138 -6.191 24.318 1.00 0.00 C ATOM 362 CG2 VAL A 27 13.531 -7.270 26.453 1.00 0.00 C ATOM 0 H VAL A 27 16.048 -8.695 26.760 1.00 0.00 H new ATOM 0 HA VAL A 27 14.270 -9.004 24.551 1.00 0.00 H new ATOM 0 HB VAL A 27 15.505 -6.593 25.930 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.806 -5.236 24.725 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.936 -6.020 23.596 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.302 -6.685 23.824 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.207 -6.301 26.832 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.692 -7.769 25.969 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.888 -7.882 27.281 1.00 0.00 H new ATOM 372 N GLY A 28 17.371 -8.070 24.072 1.00 0.00 N ATOM 373 CA GLY A 28 18.413 -7.812 23.083 1.00 0.00 C ATOM 374 C GLY A 28 18.681 -9.059 22.255 1.00 0.00 C ATOM 375 O GLY A 28 19.169 -8.982 21.129 1.00 0.00 O ATOM 0 H GLY A 28 17.719 -8.176 25.025 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.109 -6.993 22.431 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.328 -7.497 23.584 1.00 0.00 H new ATOM 379 N ALA A 29 18.353 -10.212 22.831 1.00 0.00 N ATOM 380 CA ALA A 29 18.549 -11.498 22.169 1.00 0.00 C ATOM 381 C ALA A 29 17.368 -11.816 21.264 1.00 0.00 C ATOM 382 O ALA A 29 17.519 -12.443 20.217 1.00 0.00 O ATOM 383 CB ALA A 29 18.681 -12.610 23.199 1.00 0.00 C ATOM 0 H ALA A 29 17.946 -10.282 23.764 1.00 0.00 H new ATOM 0 HA ALA A 29 19.461 -11.433 21.576 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.827 -13.563 22.689 1.00 0.00 H new ATOM 0 HB2 ALA A 29 19.536 -12.409 23.844 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.775 -12.656 23.803 1.00 0.00 H new ATOM 389 N LEU A 30 16.187 -11.372 21.685 1.00 0.00 N ATOM 390 CA LEU A 30 14.957 -11.595 20.930 1.00 0.00 C ATOM 391 C LEU A 30 15.100 -11.067 19.512 1.00 0.00 C ATOM 392 O LEU A 30 14.500 -11.591 18.575 1.00 0.00 O ATOM 393 CB LEU A 30 13.781 -10.878 21.597 1.00 0.00 C ATOM 394 CG LEU A 30 13.303 -11.456 22.930 1.00 0.00 C ATOM 395 CD1 LEU A 30 12.222 -10.577 23.540 1.00 0.00 C ATOM 396 CD2 LEU A 30 12.728 -12.851 22.736 1.00 0.00 C ATOM 0 H LEU A 30 16.055 -10.851 22.552 1.00 0.00 H new ATOM 0 HA LEU A 30 14.771 -12.669 20.908 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.061 -9.837 21.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.941 -10.879 20.902 1.00 0.00 H new ATOM 0 HG LEU A 30 14.166 -11.499 23.595 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.896 -11.006 24.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.620 -9.577 23.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.374 -10.517 22.858 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.394 -13.244 23.696 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.883 -12.804 22.049 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.495 -13.506 22.323 1.00 0.00 H new ATOM 408 N VAL A 31 15.905 -10.018 19.367 1.00 0.00 N ATOM 409 CA VAL A 31 16.148 -9.394 18.069 1.00 0.00 C ATOM 410 C VAL A 31 16.640 -10.425 17.067 1.00 0.00 C ATOM 411 O VAL A 31 16.320 -10.362 15.881 1.00 0.00 O ATOM 412 CB VAL A 31 17.211 -8.284 18.167 1.00 0.00 C ATOM 413 CG1 VAL A 31 17.613 -7.808 16.779 1.00 0.00 C ATOM 414 CG2 VAL A 31 16.669 -7.094 18.944 1.00 0.00 C ATOM 0 H VAL A 31 16.404 -9.579 20.140 1.00 0.00 H new ATOM 0 HA VAL A 31 15.201 -8.964 17.742 1.00 0.00 H new ATOM 0 HB VAL A 31 18.077 -8.699 18.682 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.365 -7.024 16.867 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.025 -8.644 16.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.738 -7.415 16.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.434 -6.319 19.003 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.790 -6.698 18.436 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.395 -7.411 19.950 1.00 0.00 H new ATOM 424 N ILE A 32 17.424 -11.379 17.561 1.00 0.00 N ATOM 425 CA ILE A 32 17.978 -12.443 16.728 1.00 0.00 C ATOM 426 C ILE A 32 16.868 -13.331 16.190 1.00 0.00 C ATOM 427 O ILE A 32 16.873 -13.719 15.023 1.00 0.00 O ATOM 428 CB ILE A 32 18.952 -13.332 17.523 1.00 0.00 C ATOM 429 CG1 ILE A 32 20.199 -12.538 17.916 1.00 0.00 C ATOM 430 CG2 ILE A 32 19.386 -14.527 16.686 1.00 0.00 C ATOM 431 CD1 ILE A 32 21.094 -13.255 18.904 1.00 0.00 C ATOM 0 H ILE A 32 17.692 -11.437 18.543 1.00 0.00 H new ATOM 0 HA ILE A 32 18.511 -11.959 15.909 1.00 0.00 H new ATOM 0 HB ILE A 32 18.434 -13.676 18.418 1.00 0.00 H new ATOM 0 HG12 ILE A 32 20.773 -12.313 17.017 1.00 0.00 H new ATOM 0 HG13 ILE A 32 19.891 -11.584 18.345 1.00 0.00 H new ATOM 0 HG21 ILE A 32 20.074 -15.145 17.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.511 -15.117 16.413 1.00 0.00 H new ATOM 0 HG23 ILE A 32 19.884 -14.176 15.782 1.00 0.00 H new ATOM 0 HD11 ILE A 32 21.957 -12.630 19.134 1.00 0.00 H new ATOM 0 HD12 ILE A 32 20.538 -13.457 19.819 1.00 0.00 H new ATOM 0 HD13 ILE A 32 21.433 -14.196 18.471 1.00 0.00 H new ATOM 443 N LEU A 33 15.913 -13.646 17.060 1.00 0.00 N ATOM 444 CA LEU A 33 14.777 -14.491 16.699 1.00 0.00 C ATOM 445 C LEU A 33 13.950 -13.832 15.608 1.00 0.00 C ATOM 446 O LEU A 33 13.601 -14.457 14.608 1.00 0.00 O ATOM 447 CB LEU A 33 13.877 -14.726 17.914 1.00 0.00 C ATOM 448 CG LEU A 33 14.432 -15.647 19.001 1.00 0.00 C ATOM 449 CD1 LEU A 33 13.496 -15.690 20.199 1.00 0.00 C ATOM 450 CD2 LEU A 33 14.595 -17.064 18.474 1.00 0.00 C ATOM 0 H LEU A 33 15.903 -13.326 18.028 1.00 0.00 H new ATOM 0 HA LEU A 33 15.170 -15.442 16.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.653 -13.760 18.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.932 -15.141 17.564 1.00 0.00 H new ATOM 0 HG LEU A 33 15.401 -15.249 19.301 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.910 -16.351 20.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.385 -14.687 20.611 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.521 -16.063 19.886 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.991 -17.703 19.264 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.627 -17.445 18.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.284 -17.061 17.630 1.00 0.00 H new ATOM 462 N ALA A 34 13.640 -12.555 15.814 1.00 0.00 N ATOM 463 CA ALA A 34 12.850 -11.781 14.860 1.00 0.00 C ATOM 464 C ALA A 34 13.538 -11.744 13.505 1.00 0.00 C ATOM 465 O ALA A 34 12.896 -11.862 12.462 1.00 0.00 O ATOM 466 CB ALA A 34 12.676 -10.352 15.351 1.00 0.00 C ATOM 0 H ALA A 34 13.927 -12.030 16.640 1.00 0.00 H new ATOM 0 HA ALA A 34 11.876 -12.262 14.766 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.085 -9.789 14.629 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.164 -10.358 16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.654 -9.884 15.463 1.00 0.00 H new ATOM 472 N VAL A 35 14.857 -11.579 13.534 1.00 0.00 N ATOM 473 CA VAL A 35 15.663 -11.523 12.318 1.00 0.00 C ATOM 474 C VAL A 35 15.445 -12.769 11.477 1.00 0.00 C ATOM 475 O VAL A 35 15.298 -12.697 10.258 1.00 0.00 O ATOM 476 CB VAL A 35 17.166 -11.427 12.641 1.00 0.00 C ATOM 477 CG1 VAL A 35 17.994 -11.580 11.374 1.00 0.00 C ATOM 478 CG2 VAL A 35 17.491 -10.080 13.267 1.00 0.00 C ATOM 0 H VAL A 35 15.395 -11.481 14.395 1.00 0.00 H new ATOM 0 HA VAL A 35 15.350 -10.633 11.772 1.00 0.00 H new ATOM 0 HB VAL A 35 17.407 -12.228 13.340 1.00 0.00 H new ATOM 0 HG11 VAL A 35 19.053 -11.510 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.791 -12.551 10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.732 -10.790 10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.557 -10.030 13.489 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.227 -9.283 12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 35 16.923 -9.961 14.189 1.00 0.00 H new ATOM 488 N ALA A 36 15.426 -13.918 12.147 1.00 0.00 N ATOM 489 CA ALA A 36 15.227 -15.204 11.485 1.00 0.00 C ATOM 490 C ALA A 36 13.838 -15.278 10.871 1.00 0.00 C ATOM 491 O ALA A 36 13.671 -15.688 9.723 1.00 0.00 O ATOM 492 CB ALA A 36 15.374 -16.342 12.483 1.00 0.00 C ATOM 0 H ALA A 36 15.547 -13.984 13.158 1.00 0.00 H new ATOM 0 HA ALA A 36 15.981 -15.297 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.223 -17.294 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.373 -16.318 12.918 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.631 -16.231 13.273 1.00 0.00 H new ATOM 498 N GLY A 37 12.842 -14.873 11.653 1.00 0.00 N ATOM 499 CA GLY A 37 11.450 -14.883 11.212 1.00 0.00 C ATOM 500 C GLY A 37 11.319 -14.213 9.853 1.00 0.00 C ATOM 501 O GLY A 37 10.881 -14.827 8.881 1.00 0.00 O ATOM 0 H GLY A 37 12.975 -14.531 12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.087 -15.909 11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.827 -14.365 11.941 1.00 0.00 H new ATOM 505 N LEU A 38 11.706 -12.942 9.799 1.00 0.00 N ATOM 506 CA LEU A 38 11.643 -12.159 8.568 1.00 0.00 C ATOM 507 C LEU A 38 12.504 -12.794 7.489 1.00 0.00 C ATOM 508 O LEU A 38 12.131 -12.831 6.318 1.00 0.00 O ATOM 509 CB LEU A 38 12.146 -10.735 8.812 1.00 0.00 C ATOM 510 CG LEU A 38 11.242 -9.831 9.653 1.00 0.00 C ATOM 511 CD1 LEU A 38 11.918 -8.496 9.923 1.00 0.00 C ATOM 512 CD2 LEU A 38 9.930 -9.563 8.932 1.00 0.00 C ATOM 0 H LEU A 38 12.070 -12.428 10.601 1.00 0.00 H new ATOM 0 HA LEU A 38 10.603 -12.133 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.119 -10.795 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.303 -10.257 7.845 1.00 0.00 H new ATOM 0 HG LEU A 38 11.050 -10.346 10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.258 -7.869 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.850 -8.663 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.131 -7.998 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.302 -8.918 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.132 -9.072 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.415 -10.506 8.751 1.00 0.00 H new ATOM 524 N ILE A 39 13.665 -13.295 7.900 1.00 0.00 N ATOM 525 CA ILE A 39 14.604 -13.939 6.987 1.00 0.00 C ATOM 526 C ILE A 39 13.948 -15.119 6.292 1.00 0.00 C ATOM 527 O ILE A 39 14.090 -15.306 5.084 1.00 0.00 O ATOM 528 CB ILE A 39 15.847 -14.460 7.731 1.00 0.00 C ATOM 529 CG1 ILE A 39 16.677 -13.292 8.268 1.00 0.00 C ATOM 530 CG2 ILE A 39 16.721 -15.283 6.797 1.00 0.00 C ATOM 531 CD1 ILE A 39 17.189 -12.362 7.190 1.00 0.00 C ATOM 0 H ILE A 39 13.980 -13.267 8.870 1.00 0.00 H new ATOM 0 HA ILE A 39 14.904 -13.185 6.259 1.00 0.00 H new ATOM 0 HB ILE A 39 15.504 -15.081 8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 39 16.071 -12.720 8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 39 17.525 -13.687 8.827 1.00 0.00 H new ATOM 0 HG21 ILE A 39 17.595 -15.643 7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 39 16.152 -16.133 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 39 17.043 -14.663 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 17.768 -11.559 7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 39 17.823 -12.919 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 39 16.346 -11.937 6.646 1.00 0.00 H new ATOM 543 N TYR A 40 13.226 -15.917 7.074 1.00 0.00 N ATOM 544 CA TYR A 40 12.533 -17.095 6.559 1.00 0.00 C ATOM 545 C TYR A 40 11.381 -16.683 5.658 1.00 0.00 C ATOM 546 O TYR A 40 11.152 -17.277 4.606 1.00 0.00 O ATOM 547 CB TYR A 40 11.971 -17.932 7.710 1.00 0.00 C ATOM 548 CG TYR A 40 11.259 -19.188 7.263 1.00 0.00 C ATOM 549 CD1 TYR A 40 11.976 -20.312 6.872 1.00 0.00 C ATOM 550 CD2 TYR A 40 9.871 -19.247 7.233 1.00 0.00 C ATOM 551 CE1 TYR A 40 11.333 -21.465 6.462 1.00 0.00 C ATOM 552 CE2 TYR A 40 9.211 -20.391 6.826 1.00 0.00 C ATOM 553 CZ TYR A 40 9.956 -21.504 6.439 1.00 0.00 C ATOM 554 OH TYR A 40 9.313 -22.651 6.031 1.00 0.00 O ATOM 0 H TYR A 40 13.105 -15.767 8.076 1.00 0.00 H new ATOM 0 HA TYR A 40 13.254 -17.683 5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.787 -18.207 8.378 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.279 -17.319 8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.056 -20.284 6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.297 -18.383 7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.906 -22.330 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.132 -20.422 6.808 1.00 0.00 H new ATOM 0 HH TYR A 40 8.343 -22.515 6.074 1.00 0.00 H new ATOM 564 N SER A 41 10.655 -15.652 6.086 1.00 0.00 N ATOM 565 CA SER A 41 9.516 -15.135 5.335 1.00 0.00 C ATOM 566 C SER A 41 9.954 -14.666 3.957 1.00 0.00 C ATOM 567 O SER A 41 9.361 -15.029 2.943 1.00 0.00 O ATOM 568 CB SER A 41 8.883 -13.951 6.069 1.00 0.00 C ATOM 569 OG SER A 41 8.308 -14.362 7.298 1.00 0.00 O ATOM 0 H SER A 41 10.839 -15.155 6.958 1.00 0.00 H new ATOM 0 HA SER A 41 8.790 -15.942 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.639 -13.188 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.118 -13.496 5.440 1.00 0.00 H new ATOM 0 HG SER A 41 9.020 -14.560 7.942 1.00 0.00 H new ATOM 575 N MET A 42 11.006 -13.852 3.935 1.00 0.00 N ATOM 576 CA MET A 42 11.550 -13.315 2.691 1.00 0.00 C ATOM 577 C MET A 42 12.091 -14.435 1.818 1.00 0.00 C ATOM 578 O MET A 42 11.904 -14.441 0.602 1.00 0.00 O ATOM 579 CB MET A 42 12.690 -12.337 2.983 1.00 0.00 C ATOM 580 CG MET A 42 13.262 -11.663 1.746 1.00 0.00 C ATOM 581 SD MET A 42 14.579 -10.496 2.136 1.00 0.00 S ATOM 582 CE MET A 42 15.887 -11.615 2.633 1.00 0.00 C ATOM 0 H MET A 42 11.502 -13.548 4.773 1.00 0.00 H new ATOM 0 HA MET A 42 10.742 -12.799 2.172 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.329 -11.569 3.668 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.490 -12.871 3.495 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.646 -12.424 1.067 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.463 -11.140 1.220 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.834 -11.076 2.665 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.665 -12.018 3.621 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.959 -12.432 1.915 1.00 0.00 H new ATOM 592 N LEU A 43 12.766 -15.386 2.457 1.00 0.00 N ATOM 593 CA LEU A 43 13.348 -16.531 1.763 1.00 0.00 C ATOM 594 C LEU A 43 12.266 -17.524 1.372 1.00 0.00 C ATOM 595 O LEU A 43 12.290 -18.095 0.283 1.00 0.00 O ATOM 596 CB LEU A 43 14.358 -17.246 2.663 1.00 0.00 C ATOM 597 CG LEU A 43 15.666 -16.502 2.939 1.00 0.00 C ATOM 598 CD1 LEU A 43 16.516 -17.265 3.943 1.00 0.00 C ATOM 599 CD2 LEU A 43 16.472 -16.339 1.660 1.00 0.00 C ATOM 0 H LEU A 43 12.925 -15.386 3.465 1.00 0.00 H new ATOM 0 HA LEU A 43 13.848 -16.158 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.876 -17.457 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.600 -18.207 2.209 1.00 0.00 H new ATOM 0 HG LEU A 43 15.406 -15.523 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.442 -16.719 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.967 -17.371 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.750 -18.253 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.398 -15.807 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.706 -17.321 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.891 -15.771 0.933 1.00 0.00 H new ATOM 611 N ARG A 44 11.313 -17.722 2.278 1.00 0.00 N ATOM 612 CA ARG A 44 10.204 -18.644 2.055 1.00 0.00 C ATOM 613 C ARG A 44 9.113 -17.976 1.234 1.00 0.00 C ATOM 614 O ARG A 44 8.431 -18.619 0.438 1.00 0.00 O ATOM 615 CB ARG A 44 9.601 -19.090 3.389 1.00 0.00 C ATOM 616 CG ARG A 44 8.496 -20.124 3.255 1.00 0.00 C ATOM 617 CD ARG A 44 9.036 -21.445 2.731 1.00 0.00 C ATOM 618 NE ARG A 44 7.988 -22.456 2.612 1.00 0.00 N ATOM 619 CZ ARG A 44 8.153 -23.638 2.027 1.00 0.00 C ATOM 620 NH1 ARG A 44 9.329 -23.960 1.503 1.00 0.00 N ATOM 621 NH2 ARG A 44 7.143 -24.494 1.966 1.00 0.00 N ATOM 0 H ARG A 44 11.287 -17.251 3.182 1.00 0.00 H new ATOM 0 HA ARG A 44 10.594 -19.509 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.394 -19.500 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.206 -18.216 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.023 -20.281 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.725 -19.751 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.499 -21.287 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.816 -21.809 3.400 1.00 0.00 H new ATOM 0 HE ARG A 44 7.071 -22.241 3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.106 -23.301 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.456 -24.867 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.239 -24.246 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.270 -25.401 1.517 1.00 0.00 H new ATOM 635 N LYS A 45 8.957 -16.671 1.440 1.00 0.00 N ATOM 636 CA LYS A 45 7.954 -15.884 0.730 1.00 0.00 C ATOM 637 C LYS A 45 8.372 -15.664 -0.714 1.00 0.00 C ATOM 638 O LYS A 45 7.580 -15.835 -1.639 1.00 0.00 O ATOM 639 CB LYS A 45 7.776 -14.517 1.395 1.00 0.00 C ATOM 640 CG LYS A 45 6.709 -13.648 0.750 1.00 0.00 C ATOM 641 CD LYS A 45 6.547 -12.331 1.493 1.00 0.00 C ATOM 642 CE LYS A 45 5.490 -11.456 0.839 1.00 0.00 C ATOM 643 NZ LYS A 45 5.312 -10.167 1.564 1.00 0.00 N ATOM 0 H LYS A 45 9.519 -16.132 2.100 1.00 0.00 H new ATOM 0 HA LYS A 45 7.015 -16.437 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.523 -14.666 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.727 -13.985 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.975 -13.452 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.759 -14.182 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.270 -12.527 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.500 -11.802 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.773 -11.256 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.541 -11.992 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.583 -9.598 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.018 -10.357 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.211 -9.644 1.568 1.00 0.00 H new ATOM 657 N ALA A 46 9.633 -15.282 -0.895 1.00 0.00 N ATOM 658 CA ALA A 46 10.190 -15.030 -2.221 1.00 0.00 C ATOM 659 C ALA A 46 11.648 -14.613 -2.097 1.00 0.00 C ATOM 660 O ALA A 46 12.182 -14.531 -0.993 1.00 0.00 O ATOM 661 CB ALA A 46 9.374 -13.944 -2.917 1.00 0.00 C ATOM 0 H ALA A 46 10.294 -15.139 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 46 10.143 -15.940 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.789 -13.755 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.339 -14.272 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.410 -13.028 -2.328 1.00 0.00 H new