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= -2.06 K(o=-3.3,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -174:sc= -1.24 (180deg=-0.344) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.152 (180deg=-0.678) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.307 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 113:sc= 0.99 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= 0.3 USER MOD Single : A 42 MET CE :methyl 167:sc=-0.00695 (180deg=-0.249) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.098 -37.648 68.372 1.00 0.00 N ATOM 2 CA GLY A 1 26.689 -38.971 68.415 1.00 0.00 C ATOM 3 C GLY A 1 26.136 -39.824 67.285 1.00 0.00 C ATOM 4 O GLY A 1 25.309 -39.369 66.498 1.00 0.00 O ATOM 0 H1 GLY A 1 26.850 -36.931 68.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.551 -37.540 67.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.468 -37.523 69.190 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.773 -38.897 68.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.477 -39.442 69.375 1.00 0.00 H new ATOM 8 N VAL A 2 26.607 -41.067 67.220 1.00 0.00 N ATOM 9 CA VAL A 2 26.177 -42.011 66.194 1.00 0.00 C ATOM 10 C VAL A 2 24.733 -42.428 66.425 1.00 0.00 C ATOM 11 O VAL A 2 23.933 -42.492 65.493 1.00 0.00 O ATOM 12 CB VAL A 2 27.044 -43.284 66.199 1.00 0.00 C ATOM 13 CG1 VAL A 2 26.465 -44.326 65.255 1.00 0.00 C ATOM 14 CG2 VAL A 2 28.462 -42.965 65.752 1.00 0.00 C ATOM 0 H VAL A 2 27.293 -41.446 67.873 1.00 0.00 H new ATOM 0 HA VAL A 2 26.280 -41.504 65.235 1.00 0.00 H new ATOM 0 HB VAL A 2 27.056 -43.673 67.217 1.00 0.00 H new ATOM 0 HG11 VAL A 2 27.090 -45.219 65.271 1.00 0.00 H new ATOM 0 HG12 VAL A 2 25.455 -44.584 65.574 1.00 0.00 H new ATOM 0 HG13 VAL A 2 26.434 -43.923 64.243 1.00 0.00 H new ATOM 0 HG21 VAL A 2 29.060 -43.876 65.762 1.00 0.00 H new ATOM 0 HG22 VAL A 2 28.442 -42.555 64.742 1.00 0.00 H new ATOM 0 HG23 VAL A 2 28.902 -42.235 66.431 1.00 0.00 H new ATOM 24 N ILE A 3 24.411 -42.711 67.684 1.00 0.00 N ATOM 25 CA ILE A 3 23.066 -43.125 68.071 1.00 0.00 C ATOM 26 C ILE A 3 22.079 -41.989 67.863 1.00 0.00 C ATOM 27 O ILE A 3 20.951 -42.199 67.419 1.00 0.00 O ATOM 28 CB ILE A 3 23.007 -43.538 69.554 1.00 0.00 C ATOM 29 CG1 ILE A 3 23.824 -44.810 69.786 1.00 0.00 C ATOM 30 CG2 ILE A 3 21.570 -43.803 69.976 1.00 0.00 C ATOM 31 CD1 ILE A 3 24.025 -45.149 71.247 1.00 0.00 C ATOM 0 H ILE A 3 25.071 -42.660 68.460 1.00 0.00 H new ATOM 0 HA ILE A 3 22.805 -43.978 67.445 1.00 0.00 H new ATOM 0 HB ILE A 3 23.420 -42.720 70.145 1.00 0.00 H new ATOM 0 HG12 ILE A 3 23.326 -45.645 69.294 1.00 0.00 H new ATOM 0 HG13 ILE A 3 24.799 -44.696 69.312 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.547 -44.094 71.026 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.977 -42.899 69.836 1.00 0.00 H new ATOM 0 HG23 ILE A 3 21.155 -44.607 69.368 1.00 0.00 H new ATOM 0 HD11 ILE A 3 24.613 -46.063 71.331 1.00 0.00 H new ATOM 0 HD12 ILE A 3 24.551 -44.332 71.741 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.056 -45.296 71.723 1.00 0.00 H new ATOM 43 N ASP A 4 22.519 -40.777 68.191 1.00 0.00 N ATOM 44 CA ASP A 4 21.692 -39.583 68.051 1.00 0.00 C ATOM 45 C ASP A 4 21.118 -39.495 66.646 1.00 0.00 C ATOM 46 O ASP A 4 19.957 -39.134 66.455 1.00 0.00 O ATOM 47 CB ASP A 4 22.520 -38.324 68.315 1.00 0.00 C ATOM 48 CG ASP A 4 22.884 -38.162 69.778 1.00 0.00 C ATOM 49 OD1 ASP A 4 23.431 -37.099 70.140 1.00 0.00 O ATOM 50 OD2 ASP A 4 22.623 -39.098 70.562 1.00 0.00 O ATOM 0 H ASP A 4 23.453 -40.596 68.559 1.00 0.00 H new ATOM 0 HA ASP A 4 20.882 -39.652 68.778 1.00 0.00 H new ATOM 0 HB2 ASP A 4 23.432 -38.362 67.719 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.960 -37.449 67.985 1.00 0.00 H new ATOM 56 N THR A 5 21.949 -39.830 65.663 1.00 0.00 N ATOM 57 CA THR A 5 21.550 -39.798 64.259 1.00 0.00 C ATOM 58 C THR A 5 21.081 -41.172 63.808 1.00 0.00 C ATOM 59 O THR A 5 20.678 -41.362 62.662 1.00 0.00 O ATOM 60 CB THR A 5 22.718 -39.374 63.350 1.00 0.00 C ATOM 61 OG1 THR A 5 23.786 -40.323 63.465 1.00 0.00 O ATOM 62 CG2 THR A 5 23.235 -38.001 63.751 1.00 0.00 C ATOM 0 H THR A 5 22.912 -40.130 65.815 1.00 0.00 H new ATOM 0 HA THR A 5 20.742 -39.071 64.176 1.00 0.00 H new ATOM 0 HB THR A 5 22.359 -39.336 62.322 1.00 0.00 H new ATOM 0 HG1 THR A 5 23.588 -40.952 64.190 1.00 0.00 H new ATOM 0 HG21 THR A 5 24.060 -37.718 63.098 1.00 0.00 H new ATOM 0 HG22 THR A 5 22.432 -37.269 63.660 1.00 0.00 H new ATOM 0 HG23 THR A 5 23.583 -38.031 64.783 1.00 0.00 H new ATOM 70 N SER A 6 21.139 -42.130 64.729 1.00 0.00 N ATOM 71 CA SER A 6 20.725 -43.502 64.453 1.00 0.00 C ATOM 72 C SER A 6 19.361 -43.523 63.781 1.00 0.00 C ATOM 73 O SER A 6 19.209 -44.015 62.664 1.00 0.00 O ATOM 74 CB SER A 6 20.636 -44.306 65.751 1.00 0.00 C ATOM 75 OG SER A 6 20.226 -45.639 65.499 1.00 0.00 O ATOM 0 H SER A 6 21.472 -41.979 65.681 1.00 0.00 H new ATOM 0 HA SER A 6 21.470 -43.946 63.792 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.606 -44.309 66.248 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.931 -43.828 66.431 1.00 0.00 H new ATOM 0 HG SER A 6 20.179 -46.132 66.345 1.00 0.00 H new ATOM 81 N ALA A 7 18.368 -42.980 64.480 1.00 0.00 N ATOM 82 CA ALA A 7 17.000 -42.921 63.974 1.00 0.00 C ATOM 83 C ALA A 7 16.945 -42.130 62.677 1.00 0.00 C ATOM 84 O ALA A 7 16.254 -42.505 61.731 1.00 0.00 O ATOM 85 CB ALA A 7 16.088 -42.247 64.988 1.00 0.00 C ATOM 0 H ALA A 7 18.487 -42.571 65.407 1.00 0.00 H new ATOM 0 HA ALA A 7 16.666 -43.943 63.797 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.072 -42.211 64.596 1.00 0.00 H new ATOM 0 HB2 ALA A 7 16.098 -42.814 65.919 1.00 0.00 H new ATOM 0 HB3 ALA A 7 16.440 -41.233 65.177 1.00 0.00 H new ATOM 91 N VAL A 8 17.686 -41.026 62.646 1.00 0.00 N ATOM 92 CA VAL A 8 17.742 -40.157 61.474 1.00 0.00 C ATOM 93 C VAL A 8 18.333 -40.901 60.288 1.00 0.00 C ATOM 94 O VAL A 8 17.857 -40.779 59.160 1.00 0.00 O ATOM 95 CB VAL A 8 18.612 -38.913 61.734 1.00 0.00 C ATOM 96 CG1 VAL A 8 18.827 -38.134 60.446 1.00 0.00 C ATOM 97 CG2 VAL A 8 17.941 -37.996 62.745 1.00 0.00 C ATOM 0 H VAL A 8 18.261 -40.710 63.427 1.00 0.00 H new ATOM 0 HA VAL A 8 16.719 -39.847 61.260 1.00 0.00 H new ATOM 0 HB VAL A 8 19.571 -39.254 62.124 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.444 -37.259 60.649 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.328 -38.769 59.716 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.863 -37.815 60.049 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.569 -37.122 62.917 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.973 -37.676 62.360 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.799 -38.531 63.684 1.00 0.00 H new ATOM 107 N GLU A 9 19.380 -41.676 60.558 1.00 0.00 N ATOM 108 CA GLU A 9 20.060 -42.456 59.528 1.00 0.00 C ATOM 109 C GLU A 9 19.080 -43.386 58.831 1.00 0.00 C ATOM 110 O GLU A 9 19.140 -43.580 57.618 1.00 0.00 O ATOM 111 CB GLU A 9 21.175 -43.303 60.146 1.00 0.00 C ATOM 112 CG GLU A 9 21.984 -44.097 59.134 1.00 0.00 C ATOM 113 CD GLU A 9 23.110 -44.883 59.776 1.00 0.00 C ATOM 114 OE1 GLU A 9 23.256 -44.808 61.014 1.00 0.00 O ATOM 115 OE2 GLU A 9 23.846 -45.575 59.041 1.00 0.00 O ATOM 0 H GLU A 9 19.779 -41.781 61.491 1.00 0.00 H new ATOM 0 HA GLU A 9 20.483 -41.757 58.807 1.00 0.00 H new ATOM 0 HB2 GLU A 9 21.848 -42.649 60.701 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.736 -43.993 60.866 1.00 0.00 H new ATOM 0 HG2 GLU A 9 21.323 -44.783 58.604 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.399 -43.416 58.391 1.00 0.00 H new ATOM 123 N SER A 10 18.174 -43.960 59.617 1.00 0.00 N ATOM 124 CA SER A 10 17.164 -44.879 59.101 1.00 0.00 C ATOM 125 C SER A 10 16.000 -44.108 58.500 1.00 0.00 C ATOM 126 O SER A 10 15.552 -44.394 57.391 1.00 0.00 O ATOM 127 CB SER A 10 16.626 -45.769 60.223 1.00 0.00 C ATOM 128 OG SER A 10 17.647 -46.599 60.750 1.00 0.00 O ATOM 0 H SER A 10 18.119 -43.803 60.623 1.00 0.00 H new ATOM 0 HA SER A 10 17.636 -45.494 58.335 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.212 -45.148 61.017 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.811 -46.386 59.843 1.00 0.00 H new ATOM 0 HG SER A 10 17.278 -47.157 61.466 1.00 0.00 H new ATOM 134 N ALA A 11 15.515 -43.122 59.251 1.00 0.00 N ATOM 135 CA ALA A 11 14.399 -42.288 58.816 1.00 0.00 C ATOM 136 C ALA A 11 14.801 -41.441 57.620 1.00 0.00 C ATOM 137 O ALA A 11 14.020 -41.241 56.691 1.00 0.00 O ATOM 138 CB ALA A 11 13.962 -41.359 59.939 1.00 0.00 C ATOM 0 H ALA A 11 15.882 -42.880 60.172 1.00 0.00 H new ATOM 0 HA ALA A 11 13.577 -42.949 58.540 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.129 -40.744 59.599 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.649 -41.950 60.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.795 -40.716 60.224 1.00 0.00 H new ATOM 144 N ILE A 12 16.034 -40.944 57.656 1.00 0.00 N ATOM 145 CA ILE A 12 16.571 -40.111 56.585 1.00 0.00 C ATOM 146 C ILE A 12 16.739 -40.924 55.312 1.00 0.00 C ATOM 147 O ILE A 12 16.365 -40.487 54.224 1.00 0.00 O ATOM 148 CB ILE A 12 17.946 -39.528 56.959 1.00 0.00 C ATOM 149 CG1 ILE A 12 17.808 -38.535 58.115 1.00 0.00 C ATOM 150 CG2 ILE A 12 18.558 -38.802 55.771 1.00 0.00 C ATOM 151 CD1 ILE A 12 16.919 -37.351 57.800 1.00 0.00 C ATOM 0 H ILE A 12 16.686 -41.106 58.424 1.00 0.00 H new ATOM 0 HA ILE A 12 15.861 -39.299 56.429 1.00 0.00 H new ATOM 0 HB ILE A 12 18.589 -40.356 57.256 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.408 -39.057 58.984 1.00 0.00 H new ATOM 0 HG13 ILE A 12 18.798 -38.171 58.389 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.529 -38.396 56.054 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.683 -39.500 54.943 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.901 -37.989 55.464 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.870 -36.692 58.667 1.00 0.00 H new ATOM 0 HD12 ILE A 12 17.329 -36.804 56.951 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.917 -37.703 57.555 1.00 0.00 H new ATOM 163 N THR A 13 17.308 -42.117 55.463 1.00 0.00 N ATOM 164 CA THR A 13 17.540 -43.019 54.338 1.00 0.00 C ATOM 165 C THR A 13 16.219 -43.465 53.732 1.00 0.00 C ATOM 166 O THR A 13 16.067 -43.526 52.513 1.00 0.00 O ATOM 167 CB THR A 13 18.310 -44.279 54.774 1.00 0.00 C ATOM 168 OG1 THR A 13 19.597 -43.905 55.281 1.00 0.00 O ATOM 169 CG2 THR A 13 18.500 -45.222 53.596 1.00 0.00 C ATOM 0 H THR A 13 17.620 -42.484 56.362 1.00 0.00 H new ATOM 0 HA THR A 13 18.130 -42.467 53.606 1.00 0.00 H new ATOM 0 HB THR A 13 17.734 -44.785 55.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.638 -44.095 56.242 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.046 -46.107 53.923 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.526 -45.520 53.207 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.064 -44.716 52.812 1.00 0.00 H new ATOM 177 N ASP A 14 15.263 -43.778 54.603 1.00 0.00 N ATOM 178 CA ASP A 14 13.939 -44.224 54.181 1.00 0.00 C ATOM 179 C ASP A 14 13.180 -43.086 53.520 1.00 0.00 C ATOM 180 O ASP A 14 12.634 -43.236 52.428 1.00 0.00 O ATOM 181 CB ASP A 14 13.129 -44.711 55.384 1.00 0.00 C ATOM 182 CG ASP A 14 13.638 -46.029 55.934 1.00 0.00 C ATOM 183 OD1 ASP A 14 12.976 -46.594 56.829 1.00 0.00 O ATOM 184 OD2 ASP A 14 14.700 -46.495 55.471 1.00 0.00 O ATOM 0 H ASP A 14 15.383 -43.730 55.615 1.00 0.00 H new ATOM 0 HA ASP A 14 14.074 -45.040 53.471 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.163 -43.956 56.170 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.084 -44.822 55.093 1.00 0.00 H new ATOM 190 N GLY A 15 13.153 -41.942 54.198 1.00 0.00 N ATOM 191 CA GLY A 15 12.465 -40.755 53.698 1.00 0.00 C ATOM 192 C GLY A 15 13.352 -39.997 52.723 1.00 0.00 C ATOM 193 O GLY A 15 13.071 -39.932 51.527 1.00 0.00 O ATOM 0 H GLY A 15 13.604 -41.812 55.103 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.538 -41.046 53.205 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.193 -40.107 54.531 1.00 0.00 H new ATOM 197 N GLN A 16 14.428 -39.423 53.252 1.00 0.00 N ATOM 198 CA GLN A 16 15.379 -38.659 52.450 1.00 0.00 C ATOM 199 C GLN A 16 15.779 -39.443 51.210 1.00 0.00 C ATOM 200 O GLN A 16 15.662 -38.958 50.086 1.00 0.00 O ATOM 201 CB GLN A 16 16.641 -38.357 53.260 1.00 0.00 C ATOM 202 CG GLN A 16 17.672 -37.524 52.514 1.00 0.00 C ATOM 203 CD GLN A 16 17.171 -36.132 52.187 1.00 0.00 C ATOM 204 OE1 GLN A 16 16.744 -35.391 53.073 1.00 0.00 O ATOM 205 NE2 GLN A 16 17.220 -35.772 50.910 1.00 0.00 N ATOM 0 H GLN A 16 14.665 -39.473 54.243 1.00 0.00 H new ATOM 0 HA GLN A 16 14.895 -37.727 52.158 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.357 -37.833 54.173 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.100 -39.298 53.562 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.577 -37.448 53.117 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.946 -38.034 51.590 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.582 -36.420 50.211 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.895 -34.847 50.628 1.00 0.00 H new ATOM 214 N GLY A 17 16.255 -40.665 51.432 1.00 0.00 N ATOM 215 CA GLY A 17 16.683 -41.544 50.347 1.00 0.00 C ATOM 216 C GLY A 17 15.600 -41.645 49.285 1.00 0.00 C ATOM 217 O GLY A 17 15.867 -41.523 48.091 1.00 0.00 O ATOM 0 H GLY A 17 16.355 -41.072 52.362 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.602 -41.162 49.902 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.908 -42.535 50.741 1.00 0.00 H new ATOM 221 N ASP A 18 14.369 -41.870 49.738 1.00 0.00 N ATOM 222 CA ASP A 18 13.220 -41.993 48.846 1.00 0.00 C ATOM 223 C ASP A 18 13.095 -40.759 47.967 1.00 0.00 C ATOM 224 O ASP A 18 12.369 -40.756 46.974 1.00 0.00 O ATOM 225 CB ASP A 18 11.929 -42.145 49.653 1.00 0.00 C ATOM 226 CG ASP A 18 11.831 -43.489 50.347 1.00 0.00 C ATOM 227 OD1 ASP A 18 10.716 -44.050 50.402 1.00 0.00 O ATOM 228 OD2 ASP A 18 12.869 -43.983 50.836 1.00 0.00 O ATOM 0 H ASP A 18 14.141 -41.972 50.727 1.00 0.00 H new ATOM 0 HA ASP A 18 13.374 -42.876 48.225 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.875 -41.351 50.398 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.073 -42.019 48.990 1.00 0.00 H new ATOM 234 N MET A 19 13.814 -39.707 48.346 1.00 0.00 N ATOM 235 CA MET A 19 13.804 -38.447 47.609 1.00 0.00 C ATOM 236 C MET A 19 14.388 -38.639 46.219 1.00 0.00 C ATOM 237 O MET A 19 13.866 -38.121 45.233 1.00 0.00 O ATOM 238 CB MET A 19 14.635 -37.391 48.341 1.00 0.00 C ATOM 239 CG MET A 19 14.612 -36.020 47.687 1.00 0.00 C ATOM 240 SD MET A 19 15.591 -34.802 48.587 1.00 0.00 S ATOM 241 CE MET A 19 14.601 -34.599 50.066 1.00 0.00 C ATOM 0 H MET A 19 14.417 -39.703 49.168 1.00 0.00 H new ATOM 0 HA MET A 19 12.769 -38.115 47.533 1.00 0.00 H new ATOM 0 HB2 MET A 19 14.268 -37.300 49.363 1.00 0.00 H new ATOM 0 HB3 MET A 19 15.667 -37.735 48.402 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.990 -36.102 46.668 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.581 -35.672 47.618 1.00 0.00 H new ATOM 0 HE1 MET A 19 15.018 -33.798 50.676 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.578 -34.347 49.787 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.604 -35.528 50.636 1.00 0.00 H new ATOM 251 N LYS A 20 15.482 -39.393 46.154 1.00 0.00 N ATOM 252 CA LYS A 20 16.163 -39.672 44.893 1.00 0.00 C ATOM 253 C LYS A 20 15.211 -40.335 43.910 1.00 0.00 C ATOM 254 O LYS A 20 15.198 -40.015 42.723 1.00 0.00 O ATOM 255 CB LYS A 20 17.352 -40.608 45.122 1.00 0.00 C ATOM 256 CG LYS A 20 18.159 -40.903 43.868 1.00 0.00 C ATOM 257 CD LYS A 20 19.354 -41.791 44.177 1.00 0.00 C ATOM 258 CE LYS A 20 20.152 -42.099 42.921 1.00 0.00 C ATOM 259 NZ LYS A 20 21.333 -42.958 43.211 1.00 0.00 N ATOM 0 H LYS A 20 15.919 -39.825 46.968 1.00 0.00 H new ATOM 0 HA LYS A 20 16.513 -38.723 44.487 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.011 -40.165 45.869 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.987 -41.548 45.536 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.522 -41.390 43.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.503 -39.968 43.426 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.996 -41.299 44.907 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.011 -42.721 44.630 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.509 -42.598 42.196 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.484 -41.167 42.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.851 -43.145 42.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 21.959 -42.471 43.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 21.015 -43.858 43.623 1.00 0.00 H new ATOM 273 N ALA A 21 14.413 -41.268 44.423 1.00 0.00 N ATOM 274 CA ALA A 21 13.443 -41.997 43.611 1.00 0.00 C ATOM 275 C ALA A 21 12.328 -41.071 43.153 1.00 0.00 C ATOM 276 O ALA A 21 11.886 -41.126 42.007 1.00 0.00 O ATOM 277 CB ALA A 21 12.827 -43.133 44.413 1.00 0.00 C ATOM 0 H ALA A 21 14.420 -41.539 45.406 1.00 0.00 H new ATOM 0 HA ALA A 21 13.969 -42.398 42.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.106 -43.667 43.794 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.611 -43.820 44.731 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.322 -42.727 45.290 1.00 0.00 H new ATOM 283 N ILE A 22 11.880 -40.215 44.068 1.00 0.00 N ATOM 284 CA ILE A 22 10.812 -39.261 43.785 1.00 0.00 C ATOM 285 C ILE A 22 11.254 -38.267 42.723 1.00 0.00 C ATOM 286 O ILE A 22 10.547 -38.023 41.747 1.00 0.00 O ATOM 287 CB ILE A 22 10.418 -38.466 45.043 1.00 0.00 C ATOM 288 CG1 ILE A 22 9.759 -39.387 46.072 1.00 0.00 C ATOM 289 CG2 ILE A 22 9.436 -37.359 44.688 1.00 0.00 C ATOM 290 CD1 ILE A 22 9.564 -38.746 47.429 1.00 0.00 C ATOM 0 H ILE A 22 12.244 -40.163 45.019 1.00 0.00 H new ATOM 0 HA ILE A 22 9.956 -39.838 43.436 1.00 0.00 H new ATOM 0 HB ILE A 22 11.326 -38.033 45.462 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.790 -39.709 45.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.369 -40.283 46.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.168 -36.807 45.589 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.897 -36.680 43.970 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.538 -37.796 44.250 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.092 -39.460 48.104 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.532 -38.449 47.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.928 -37.867 47.328 1.00 0.00 H new ATOM 302 N GLY A 23 12.437 -37.696 42.927 1.00 0.00 N ATOM 303 CA GLY A 23 13.004 -36.721 41.999 1.00 0.00 C ATOM 304 C GLY A 23 13.330 -37.379 40.668 1.00 0.00 C ATOM 305 O GLY A 23 13.045 -36.836 39.602 1.00 0.00 O ATOM 0 H GLY A 23 13.027 -37.894 43.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.299 -35.904 41.844 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.907 -36.286 42.427 1.00 0.00 H new ATOM 309 N GLY A 24 13.933 -38.562 40.745 1.00 0.00 N ATOM 310 CA GLY A 24 14.313 -39.322 39.558 1.00 0.00 C ATOM 311 C GLY A 24 13.077 -39.808 38.819 1.00 0.00 C ATOM 312 O GLY A 24 12.910 -39.561 37.626 1.00 0.00 O ATOM 0 H GLY A 24 14.171 -39.018 41.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.917 -38.699 38.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.930 -40.173 39.846 1.00 0.00 H new ATOM 316 N TYR A 25 12.209 -40.506 39.547 1.00 0.00 N ATOM 317 CA TYR A 25 10.973 -41.042 38.985 1.00 0.00 C ATOM 318 C TYR A 25 10.148 -39.932 38.356 1.00 0.00 C ATOM 319 O TYR A 25 9.547 -40.108 37.297 1.00 0.00 O ATOM 320 CB TYR A 25 10.133 -41.709 40.076 1.00 0.00 C ATOM 321 CG TYR A 25 8.824 -42.280 39.579 1.00 0.00 C ATOM 322 CD1 TYR A 25 8.790 -43.488 38.895 1.00 0.00 C ATOM 323 CD2 TYR A 25 7.628 -41.609 39.795 1.00 0.00 C ATOM 324 CE1 TYR A 25 7.598 -44.018 38.437 1.00 0.00 C ATOM 325 CE2 TYR A 25 6.427 -42.123 39.345 1.00 0.00 C ATOM 326 CZ TYR A 25 6.421 -43.338 38.660 1.00 0.00 C ATOM 327 OH TYR A 25 5.233 -43.863 38.205 1.00 0.00 O ATOM 0 H TYR A 25 12.341 -40.715 40.537 1.00 0.00 H new ATOM 0 HA TYR A 25 11.245 -41.776 38.226 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.717 -42.508 40.532 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.926 -40.979 40.858 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.711 -44.023 38.718 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.636 -40.668 40.325 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.590 -44.959 37.908 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.504 -41.590 39.522 1.00 0.00 H new ATOM 0 HH TYR A 25 4.497 -43.262 38.444 1.00 0.00 H new ATOM 337 N ILE A 26 10.127 -38.782 39.024 1.00 0.00 N ATOM 338 CA ILE A 26 9.382 -37.619 38.552 1.00 0.00 C ATOM 339 C ILE A 26 10.100 -36.966 37.382 1.00 0.00 C ATOM 340 O ILE A 26 9.486 -36.614 36.376 1.00 0.00 O ATOM 341 CB ILE A 26 9.224 -36.562 39.661 1.00 0.00 C ATOM 342 CG1 ILE A 26 8.332 -37.095 40.783 1.00 0.00 C ATOM 343 CG2 ILE A 26 8.593 -35.295 39.103 1.00 0.00 C ATOM 344 CD1 ILE A 26 8.322 -36.225 42.021 1.00 0.00 C ATOM 0 H ILE A 26 10.623 -38.630 39.902 1.00 0.00 H new ATOM 0 HA ILE A 26 8.398 -37.976 38.246 1.00 0.00 H new ATOM 0 HB ILE A 26 10.216 -36.338 40.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.313 -37.191 40.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.667 -38.096 41.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.489 -34.559 39.900 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.227 -34.889 38.315 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.610 -35.528 38.693 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.667 -36.668 42.772 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.333 -36.149 42.421 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.958 -35.230 41.764 1.00 0.00 H new ATOM 356 N VAL A 27 11.412 -36.810 37.528 1.00 0.00 N ATOM 357 CA VAL A 27 12.245 -36.199 36.495 1.00 0.00 C ATOM 358 C VAL A 27 12.461 -37.168 35.344 1.00 0.00 C ATOM 359 O VAL A 27 12.612 -36.764 34.192 1.00 0.00 O ATOM 360 CB VAL A 27 13.627 -35.802 37.046 1.00 0.00 C ATOM 361 CG1 VAL A 27 14.480 -37.039 37.287 1.00 0.00 C ATOM 362 CG2 VAL A 27 14.355 -34.901 36.060 1.00 0.00 C ATOM 0 H VAL A 27 11.926 -37.101 38.359 1.00 0.00 H new ATOM 0 HA VAL A 27 11.721 -35.307 36.151 1.00 0.00 H new ATOM 0 HB VAL A 27 13.470 -35.272 37.985 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.453 -36.740 37.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.984 -37.688 38.009 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.614 -37.577 36.348 1.00 0.00 H new ATOM 0 HG21 VAL A 27 15.330 -34.630 36.466 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.489 -35.428 35.116 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.769 -33.998 35.891 1.00 0.00 H new ATOM 372 N GLY A 28 12.473 -38.457 35.672 1.00 0.00 N ATOM 373 CA GLY A 28 12.670 -39.512 34.683 1.00 0.00 C ATOM 374 C GLY A 28 11.410 -39.707 33.855 1.00 0.00 C ATOM 375 O GLY A 28 11.459 -40.199 32.729 1.00 0.00 O ATOM 0 H GLY A 28 12.347 -38.798 36.625 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.505 -39.256 34.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.931 -40.444 35.184 1.00 0.00 H new ATOM 379 N ALA A 29 10.278 -39.313 34.431 1.00 0.00 N ATOM 380 CA ALA A 29 8.983 -39.433 33.769 1.00 0.00 C ATOM 381 C ALA A 29 8.734 -38.236 32.864 1.00 0.00 C ATOM 382 O ALA A 29 8.099 -38.350 31.817 1.00 0.00 O ATOM 383 CB ALA A 29 7.865 -39.499 34.799 1.00 0.00 C ATOM 0 H ALA A 29 10.232 -38.904 35.364 1.00 0.00 H new ATOM 0 HA ALA A 29 8.995 -40.347 33.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.906 -39.588 34.289 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.015 -40.365 35.444 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.872 -38.591 35.402 1.00 0.00 H new ATOM 389 N LEU A 30 9.246 -37.083 33.285 1.00 0.00 N ATOM 390 CA LEU A 30 9.095 -35.842 32.530 1.00 0.00 C ATOM 391 C LEU A 30 9.614 -36.015 31.112 1.00 0.00 C ATOM 392 O LEU A 30 9.125 -35.386 30.175 1.00 0.00 O ATOM 393 CB LEU A 30 9.879 -34.710 33.197 1.00 0.00 C ATOM 394 CG LEU A 30 9.329 -34.199 34.530 1.00 0.00 C ATOM 395 CD1 LEU A 30 10.270 -33.171 35.141 1.00 0.00 C ATOM 396 CD2 LEU A 30 7.971 -33.544 34.336 1.00 0.00 C ATOM 0 H LEU A 30 9.773 -36.982 34.152 1.00 0.00 H new ATOM 0 HA LEU A 30 8.034 -35.594 32.508 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.902 -35.050 33.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.927 -33.871 32.502 1.00 0.00 H new ATOM 0 HG LEU A 30 9.235 -35.058 35.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.860 -32.820 36.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.245 -33.627 35.314 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.380 -32.328 34.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.598 -33.188 35.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.068 -32.703 33.650 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.272 -34.271 33.923 1.00 0.00 H new ATOM 408 N VAL A 31 10.614 -36.879 30.967 1.00 0.00 N ATOM 409 CA VAL A 31 11.223 -37.159 29.669 1.00 0.00 C ATOM 410 C VAL A 31 10.165 -37.590 28.667 1.00 0.00 C ATOM 411 O VAL A 31 10.247 -37.275 27.481 1.00 0.00 O ATOM 412 CB VAL A 31 12.269 -38.285 29.767 1.00 0.00 C ATOM 413 CG1 VAL A 31 12.721 -38.715 28.380 1.00 0.00 C ATOM 414 CG2 VAL A 31 13.488 -37.814 30.545 1.00 0.00 C ATOM 0 H VAL A 31 11.024 -37.403 31.740 1.00 0.00 H new ATOM 0 HA VAL A 31 11.708 -36.239 29.342 1.00 0.00 H new ATOM 0 HB VAL A 31 11.804 -39.126 30.282 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.460 -39.511 28.469 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.863 -39.078 27.814 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.164 -37.865 27.862 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.217 -38.623 30.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.935 -36.959 30.038 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.187 -37.522 31.551 1.00 0.00 H new ATOM 424 N ILE A 32 9.167 -38.317 29.161 1.00 0.00 N ATOM 425 CA ILE A 32 8.073 -38.808 28.328 1.00 0.00 C ATOM 426 C ILE A 32 7.251 -37.648 27.790 1.00 0.00 C ATOM 427 O ILE A 32 6.863 -37.631 26.623 1.00 0.00 O ATOM 428 CB ILE A 32 7.128 -39.729 29.122 1.00 0.00 C ATOM 429 CG1 ILE A 32 7.849 -41.020 29.516 1.00 0.00 C ATOM 430 CG2 ILE A 32 5.911 -40.092 28.286 1.00 0.00 C ATOM 431 CD1 ILE A 32 7.081 -41.871 30.503 1.00 0.00 C ATOM 0 H ILE A 32 9.093 -38.581 30.143 1.00 0.00 H new ATOM 0 HA ILE A 32 8.526 -39.368 27.510 1.00 0.00 H new ATOM 0 HB ILE A 32 6.813 -39.192 30.017 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.042 -41.606 28.618 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.818 -40.767 29.946 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.254 -40.743 28.863 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.373 -39.184 28.013 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.232 -40.609 27.382 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.655 -42.768 30.734 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.911 -41.303 31.418 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.122 -42.156 30.069 1.00 0.00 H new ATOM 443 N LEU A 33 6.991 -36.676 28.660 1.00 0.00 N ATOM 444 CA LEU A 33 6.214 -35.494 28.299 1.00 0.00 C ATOM 445 C LEU A 33 6.920 -34.706 27.208 1.00 0.00 C ATOM 446 O LEU A 33 6.316 -34.321 26.208 1.00 0.00 O ATOM 447 CB LEU A 33 6.031 -34.582 29.513 1.00 0.00 C ATOM 448 CG LEU A 33 5.079 -35.083 30.601 1.00 0.00 C ATOM 449 CD1 LEU A 33 5.090 -34.146 31.799 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.655 -35.164 30.073 1.00 0.00 C ATOM 0 H LEU A 33 7.310 -36.685 29.629 1.00 0.00 H new ATOM 0 HA LEU A 33 5.242 -35.832 27.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.009 -34.414 29.965 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.671 -33.615 29.163 1.00 0.00 H new ATOM 0 HG LEU A 33 5.420 -36.073 30.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.406 -34.521 32.561 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.098 -34.093 32.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.774 -33.151 31.486 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.994 -35.522 30.862 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.330 -34.175 29.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.619 -35.853 29.229 1.00 0.00 H new ATOM 462 N ALA A 34 8.213 -34.471 27.414 1.00 0.00 N ATOM 463 CA ALA A 34 9.032 -33.727 26.460 1.00 0.00 C ATOM 464 C ALA A 34 9.028 -34.416 25.105 1.00 0.00 C ATOM 465 O ALA A 34 8.948 -33.768 24.062 1.00 0.00 O ATOM 466 CB ALA A 34 10.469 -33.637 26.951 1.00 0.00 C ATOM 0 H ALA A 34 8.720 -34.788 28.240 1.00 0.00 H new ATOM 0 HA ALA A 34 8.610 -32.727 26.367 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.066 -33.080 26.229 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.493 -33.126 27.913 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.879 -34.641 27.063 1.00 0.00 H new ATOM 472 N VAL A 35 9.117 -35.743 25.134 1.00 0.00 N ATOM 473 CA VAL A 35 9.126 -36.551 23.918 1.00 0.00 C ATOM 474 C VAL A 35 7.894 -36.260 23.077 1.00 0.00 C ATOM 475 O VAL A 35 7.975 -36.118 21.858 1.00 0.00 O ATOM 476 CB VAL A 35 9.134 -38.057 24.241 1.00 0.00 C ATOM 477 CG1 VAL A 35 8.933 -38.874 22.974 1.00 0.00 C ATOM 478 CG2 VAL A 35 10.460 -38.460 24.868 1.00 0.00 C ATOM 0 H VAL A 35 9.185 -36.286 25.995 1.00 0.00 H new ATOM 0 HA VAL A 35 10.033 -36.291 23.372 1.00 0.00 H new ATOM 0 HB VAL A 35 8.320 -38.252 24.940 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.941 -39.936 23.221 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.976 -38.614 22.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.737 -38.659 22.271 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.448 -39.527 25.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.272 -38.243 24.174 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.612 -37.899 25.790 1.00 0.00 H new ATOM 488 N ALA A 36 6.748 -36.175 23.747 1.00 0.00 N ATOM 489 CA ALA A 36 5.476 -35.901 23.085 1.00 0.00 C ATOM 490 C ALA A 36 5.483 -34.511 22.471 1.00 0.00 C ATOM 491 O ALA A 36 5.083 -34.320 21.323 1.00 0.00 O ATOM 492 CB ALA A 36 4.331 -35.981 24.083 1.00 0.00 C ATOM 0 H ALA A 36 6.675 -36.293 24.757 1.00 0.00 H new ATOM 0 HA ALA A 36 5.340 -36.648 22.303 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.390 -35.774 23.574 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.297 -36.980 24.518 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.485 -35.246 24.873 1.00 0.00 H new ATOM 498 N GLY A 37 5.945 -33.539 23.253 1.00 0.00 N ATOM 499 CA GLY A 37 6.017 -32.150 22.812 1.00 0.00 C ATOM 500 C GLY A 37 6.692 -32.058 21.453 1.00 0.00 C ATOM 501 O GLY A 37 6.105 -31.585 20.481 1.00 0.00 O ATOM 0 H GLY A 37 6.278 -33.691 24.205 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.014 -31.728 22.756 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.571 -31.559 23.541 1.00 0.00 H new ATOM 505 N LEU A 38 7.939 -32.518 21.399 1.00 0.00 N ATOM 506 CA LEU A 38 8.725 -32.501 20.168 1.00 0.00 C ATOM 507 C LEU A 38 8.040 -33.323 19.089 1.00 0.00 C ATOM 508 O LEU A 38 8.025 -32.949 17.918 1.00 0.00 O ATOM 509 CB LEU A 38 10.117 -33.087 20.413 1.00 0.00 C ATOM 510 CG LEU A 38 11.072 -32.238 21.254 1.00 0.00 C ATOM 511 CD1 LEU A 38 12.365 -32.992 21.525 1.00 0.00 C ATOM 512 CD2 LEU A 38 11.417 -30.944 20.533 1.00 0.00 C ATOM 0 H LEU A 38 8.431 -32.911 22.202 1.00 0.00 H new ATOM 0 HA LEU A 38 8.813 -31.464 19.843 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.000 -34.055 20.901 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.585 -33.272 19.446 1.00 0.00 H new ATOM 0 HG LEU A 38 10.568 -32.016 22.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.030 -32.370 22.124 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.143 -33.912 22.066 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.850 -33.235 20.579 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.097 -30.355 21.148 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.896 -31.174 19.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.506 -30.374 20.352 1.00 0.00 H new ATOM 524 N ILE A 39 7.473 -34.453 19.500 1.00 0.00 N ATOM 525 CA ILE A 39 6.775 -35.354 18.587 1.00 0.00 C ATOM 526 C ILE A 39 5.635 -34.630 17.892 1.00 0.00 C ATOM 527 O ILE A 39 5.441 -34.760 16.684 1.00 0.00 O ATOM 528 CB ILE A 39 6.182 -36.564 19.332 1.00 0.00 C ATOM 529 CG1 ILE A 39 7.300 -37.460 19.869 1.00 0.00 C ATOM 530 CG2 ILE A 39 5.310 -37.390 18.398 1.00 0.00 C ATOM 531 CD1 ILE A 39 8.199 -38.026 18.791 1.00 0.00 C ATOM 0 H ILE A 39 7.484 -34.769 20.470 1.00 0.00 H new ATOM 0 HA ILE A 39 7.510 -35.698 17.859 1.00 0.00 H new ATOM 0 HB ILE A 39 5.581 -36.185 20.159 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.906 -36.888 20.571 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.856 -38.283 20.428 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.899 -38.241 18.941 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.495 -36.773 18.021 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.910 -37.749 17.562 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.967 -38.650 19.248 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.606 -38.627 18.101 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.672 -37.209 18.246 1.00 0.00 H new ATOM 543 N TYR A 40 4.880 -33.863 18.674 1.00 0.00 N ATOM 544 CA TYR A 40 3.745 -33.102 18.159 1.00 0.00 C ATOM 545 C TYR A 40 4.224 -31.976 17.258 1.00 0.00 C ATOM 546 O TYR A 40 3.643 -31.713 16.206 1.00 0.00 O ATOM 547 CB TYR A 40 2.942 -32.492 19.310 1.00 0.00 C ATOM 548 CG TYR A 40 1.730 -31.707 18.863 1.00 0.00 C ATOM 549 CD1 TYR A 40 0.566 -32.356 18.472 1.00 0.00 C ATOM 550 CD2 TYR A 40 1.754 -30.318 18.833 1.00 0.00 C ATOM 551 CE1 TYR A 40 -0.546 -31.647 18.062 1.00 0.00 C ATOM 552 CE2 TYR A 40 0.650 -29.592 18.425 1.00 0.00 C ATOM 553 CZ TYR A 40 -0.505 -30.270 18.038 1.00 0.00 C ATOM 554 OH TYR A 40 -1.612 -29.561 17.630 1.00 0.00 O ATOM 0 H TYR A 40 5.036 -33.752 19.676 1.00 0.00 H new ATOM 0 HA TYR A 40 3.116 -33.788 17.592 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.619 -33.291 19.978 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.594 -31.837 19.888 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.530 -33.435 18.489 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.651 -29.796 19.134 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.443 -32.169 17.762 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.682 -28.513 18.406 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.419 -28.601 17.672 1.00 0.00 H new ATOM 564 N SER A 41 5.294 -31.312 17.686 1.00 0.00 N ATOM 565 CA SER A 41 5.877 -30.205 16.935 1.00 0.00 C ATOM 566 C SER A 41 6.319 -30.669 15.557 1.00 0.00 C ATOM 567 O SER A 41 5.992 -30.055 14.543 1.00 0.00 O ATOM 568 CB SER A 41 7.096 -29.643 17.669 1.00 0.00 C ATOM 569 OG SER A 41 6.721 -29.045 18.898 1.00 0.00 O ATOM 0 H SER A 41 5.779 -31.525 18.558 1.00 0.00 H new ATOM 0 HA SER A 41 5.114 -29.433 16.838 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.813 -30.443 17.854 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.595 -28.906 17.040 1.00 0.00 H new ATOM 0 HG SER A 41 6.482 -29.744 19.542 1.00 0.00 H new ATOM 575 N MET A 42 7.071 -31.766 15.535 1.00 0.00 N ATOM 576 CA MET A 42 7.576 -32.341 14.291 1.00 0.00 C ATOM 577 C MET A 42 6.426 -32.815 13.418 1.00 0.00 C ATOM 578 O MET A 42 6.431 -32.628 12.202 1.00 0.00 O ATOM 579 CB MET A 42 8.485 -33.536 14.583 1.00 0.00 C ATOM 580 CG MET A 42 9.125 -34.147 13.347 1.00 0.00 C ATOM 581 SD MET A 42 10.212 -35.531 13.738 1.00 0.00 S ATOM 582 CE MET A 42 9.018 -36.770 14.234 1.00 0.00 C ATOM 0 H MET A 42 7.346 -32.279 16.373 1.00 0.00 H new ATOM 0 HA MET A 42 8.139 -31.566 13.772 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.272 -33.221 15.268 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.905 -34.303 15.095 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.343 -34.485 12.668 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.694 -33.381 12.821 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.504 -37.744 14.284 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.615 -36.515 15.214 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.207 -36.806 13.506 1.00 0.00 H new ATOM 592 N LEU A 43 5.437 -33.434 14.057 1.00 0.00 N ATOM 593 CA LEU A 43 4.261 -33.949 13.363 1.00 0.00 C ATOM 594 C LEU A 43 3.332 -32.811 12.972 1.00 0.00 C ATOM 595 O LEU A 43 2.761 -32.801 11.883 1.00 0.00 O ATOM 596 CB LEU A 43 3.489 -34.916 14.263 1.00 0.00 C ATOM 597 CG LEU A 43 4.156 -36.265 14.539 1.00 0.00 C ATOM 598 CD1 LEU A 43 3.345 -37.070 15.543 1.00 0.00 C ATOM 599 CD2 LEU A 43 4.273 -37.079 13.260 1.00 0.00 C ATOM 0 H LEU A 43 5.428 -33.592 15.065 1.00 0.00 H new ATOM 0 HA LEU A 43 4.604 -34.469 12.469 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.307 -34.423 15.218 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.516 -35.102 13.809 1.00 0.00 H new ATOM 0 HG LEU A 43 5.148 -36.062 14.941 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.837 -38.026 15.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.271 -36.516 16.479 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.345 -37.246 15.146 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.750 -38.034 13.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.279 -37.256 12.849 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.874 -36.531 12.534 1.00 0.00 H new ATOM 611 N ARG A 44 3.190 -31.848 13.878 1.00 0.00 N ATOM 612 CA ARG A 44 2.334 -30.687 13.655 1.00 0.00 C ATOM 613 C ARG A 44 3.065 -29.637 12.834 1.00 0.00 C ATOM 614 O ARG A 44 2.462 -28.919 12.038 1.00 0.00 O ATOM 615 CB ARG A 44 1.924 -30.059 14.989 1.00 0.00 C ATOM 616 CG ARG A 44 0.956 -28.895 14.855 1.00 0.00 C ATOM 617 CD ARG A 44 -0.394 -29.358 14.331 1.00 0.00 C ATOM 618 NE ARG A 44 -1.343 -28.253 14.212 1.00 0.00 N ATOM 619 CZ ARG A 44 -2.532 -28.349 13.626 1.00 0.00 C ATOM 620 NH1 ARG A 44 -2.922 -29.503 13.103 1.00 0.00 N ATOM 621 NH2 ARG A 44 -3.328 -27.291 13.565 1.00 0.00 N ATOM 0 H ARG A 44 3.662 -31.850 14.782 1.00 0.00 H new ATOM 0 HA ARG A 44 1.448 -31.026 13.118 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.468 -30.826 15.615 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.819 -29.715 15.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.827 -28.413 15.824 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.374 -28.147 14.181 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.263 -29.830 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.802 -30.116 15.000 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.076 -27.350 14.604 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.310 -30.317 13.150 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.835 -29.577 12.653 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.028 -26.403 13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.241 -27.365 13.115 1.00 0.00 H new ATOM 635 N LYS A 45 4.376 -29.557 13.040 1.00 0.00 N ATOM 636 CA LYS A 45 5.220 -28.601 12.330 1.00 0.00 C ATOM 637 C LYS A 45 5.415 -29.032 10.886 1.00 0.00 C ATOM 638 O LYS A 45 5.290 -28.231 9.961 1.00 0.00 O ATOM 639 CB LYS A 45 6.595 -28.503 12.995 1.00 0.00 C ATOM 640 CG LYS A 45 7.524 -27.488 12.350 1.00 0.00 C ATOM 641 CD LYS A 45 8.848 -27.402 13.093 1.00 0.00 C ATOM 642 CE LYS A 45 9.783 -26.397 12.440 1.00 0.00 C ATOM 643 NZ LYS A 45 11.080 -26.294 13.164 1.00 0.00 N ATOM 0 H LYS A 45 4.881 -30.149 13.700 1.00 0.00 H new ATOM 0 HA LYS A 45 4.723 -27.632 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.461 -28.242 14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.071 -29.483 12.968 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.705 -27.765 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.046 -26.509 12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.668 -27.115 14.129 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.321 -28.384 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.966 -26.690 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.303 -25.419 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.689 -25.599 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.908 -25.990 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.550 -27.222 13.167 1.00 0.00 H new ATOM 657 N ALA A 46 5.723 -30.313 10.705 1.00 0.00 N ATOM 658 CA ALA A 46 5.943 -30.883 9.379 1.00 0.00 C ATOM 659 C ALA A 46 6.274 -32.363 9.503 1.00 0.00 C ATOM 660 O ALA A 46 6.323 -32.901 10.606 1.00 0.00 O ATOM 661 CB ALA A 46 7.074 -30.131 8.684 1.00 0.00 C ATOM 0 H ALA A 46 5.827 -30.982 11.468 1.00 0.00 H new ATOM 0 HA ALA A 46 5.038 -30.783 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.239 -30.556 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.806 -29.079 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.986 -30.220 9.274 1.00 0.00 H new