USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 395 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 14 CYS SG : rot 166:sc= 0.707! USER MOD Set 1.2: A 23 CYS SG : rot 95:sc= -0.117! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.107 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.876 K(o=-0.77,f=-2.2) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.17 K(o=-4.5,f=-5!) USER MOD Set 3.2: A 26 CYS SG : rot -149:sc= -2.97! USER MOD Set 3.3: A 30 GLN : amide:sc= -0.341 K(o=-4.5,f=-5.2) USER MOD Set 4.1: A 7 THR OG1 : rot -15:sc= 1.1 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ 159:sc= -0.2 (180deg=-0.945) USER MOD Set 5.2: A 9 MET CE :methyl -125:sc= -0.0683 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.000665 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0533 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.0909 (180deg=-0.502) USER MOD Single : A 11 GLN : amide:sc= 0.161 K(o=0.16,f=-0.93) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.0577 (180deg=-0.0911) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 74:sc= 0.414 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.305 -45.942 -23.531 1.00100.00 N ATOM 2 CA GLY A 1 -26.886 -45.026 -22.534 1.00100.00 C ATOM 3 C GLY A 1 -28.049 -44.340 -23.157 1.00100.00 C ATOM 4 O GLY A 1 -27.912 -43.685 -24.191 1.00100.00 O ATOM 0 H1 GLY A 1 -25.321 -46.159 -23.272 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.858 -46.822 -23.558 1.00100.00 H new ATOM 0 H3 GLY A 1 -26.325 -45.492 -24.469 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.200 -45.578 -21.648 1.00100.00 H new ATOM 0 HA3 GLY A 1 -26.144 -44.297 -22.209 1.00100.00 H new ATOM 10 N SER A 2 -29.248 -44.704 -22.652 1.00100.00 N ATOM 11 CA SER A 2 -30.511 -44.161 -23.092 1.00100.00 C ATOM 12 C SER A 2 -30.557 -42.681 -22.816 1.00100.00 C ATOM 13 O SER A 2 -30.983 -41.898 -23.666 1.00100.00 O ATOM 14 CB SER A 2 -31.700 -44.875 -22.412 1.00100.00 C ATOM 15 OG SER A 2 -31.617 -44.733 -21.010 1.00100.00 O ATOM 0 H SER A 2 -29.345 -45.400 -21.912 1.00100.00 H new ATOM 0 HA SER A 2 -30.597 -44.328 -24.166 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.640 -44.456 -22.772 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.700 -45.932 -22.678 1.00100.00 H new ATOM 0 HG SER A 2 -32.376 -45.188 -20.590 1.00100.00 H new ATOM 21 N THR A 3 -30.095 -42.286 -21.607 1.00100.00 N ATOM 22 CA THR A 3 -30.027 -40.917 -21.177 1.00100.00 C ATOM 23 C THR A 3 -28.751 -40.309 -21.721 1.00100.00 C ATOM 24 O THR A 3 -27.874 -41.023 -22.222 1.00100.00 O ATOM 25 CB THR A 3 -30.164 -40.768 -19.664 1.00100.00 C ATOM 26 OG1 THR A 3 -30.276 -39.404 -19.321 1.00100.00 O ATOM 27 CG2 THR A 3 -28.947 -41.366 -18.961 1.00100.00 C ATOM 0 H THR A 3 -29.757 -42.945 -20.905 1.00100.00 H new ATOM 0 HA THR A 3 -30.879 -40.369 -21.579 1.00100.00 H new ATOM 0 HB THR A 3 -31.061 -41.299 -19.344 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.365 -39.317 -18.349 1.00100.00 H new ATOM 0 HG21 THR A 3 -29.058 -41.253 -17.883 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.867 -42.425 -19.209 1.00100.00 H new ATOM 0 HG23 THR A 3 -28.046 -40.848 -19.289 1.00100.00 H new ATOM 35 N ALA A 4 -28.635 -38.961 -21.649 1.00100.00 N ATOM 36 CA ALA A 4 -27.463 -38.297 -22.143 1.00100.00 C ATOM 37 C ALA A 4 -26.430 -38.369 -21.067 1.00100.00 C ATOM 38 O ALA A 4 -26.586 -37.808 -19.978 1.00100.00 O ATOM 39 CB ALA A 4 -27.683 -36.817 -22.513 1.00100.00 C ATOM 0 H ALA A 4 -29.343 -38.342 -21.254 1.00100.00 H new ATOM 0 HA ALA A 4 -27.164 -38.798 -23.064 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.749 -36.390 -22.877 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.442 -36.746 -23.292 1.00100.00 H new ATOM 0 HB3 ALA A 4 -28.014 -36.267 -21.632 1.00100.00 H new ATOM 45 N MET A 5 -25.347 -39.110 -21.378 1.00100.00 N ATOM 46 CA MET A 5 -24.254 -39.290 -20.472 1.00100.00 C ATOM 47 C MET A 5 -23.221 -38.379 -21.047 1.00100.00 C ATOM 48 O MET A 5 -22.707 -38.631 -22.138 1.00100.00 O ATOM 49 CB MET A 5 -23.682 -40.728 -20.491 1.00100.00 C ATOM 50 CG MET A 5 -24.743 -41.731 -20.040 1.00100.00 C ATOM 51 SD MET A 5 -25.392 -41.443 -18.374 1.00100.00 S ATOM 52 CE MET A 5 -23.856 -41.590 -17.426 1.00100.00 C ATOM 0 H MET A 5 -25.230 -39.590 -22.270 1.00100.00 H new ATOM 0 HA MET A 5 -24.552 -39.097 -19.441 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.341 -40.977 -21.496 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.813 -40.789 -19.836 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.572 -41.707 -20.748 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.318 -42.734 -20.082 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.092 -41.743 -16.373 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.280 -42.438 -17.796 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.270 -40.677 -17.538 1.00100.00 H new ATOM 62 N ALA A 6 -22.981 -37.243 -20.345 1.00100.00 N ATOM 63 CA ALA A 6 -22.047 -36.208 -20.729 1.00100.00 C ATOM 64 C ALA A 6 -22.268 -35.741 -22.147 1.00100.00 C ATOM 65 O ALA A 6 -21.334 -35.638 -22.948 1.00100.00 O ATOM 66 CB ALA A 6 -20.556 -36.541 -20.473 1.00100.00 C ATOM 0 H ALA A 6 -23.460 -37.036 -19.469 1.00100.00 H new ATOM 0 HA ALA A 6 -22.273 -35.383 -20.053 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.936 -35.704 -20.794 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.401 -36.721 -19.409 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.281 -37.433 -21.036 1.00100.00 H new ATOM 72 N THR A 7 -23.561 -35.489 -22.473 1.00100.00 N ATOM 73 CA THR A 7 -24.089 -35.032 -23.738 1.00100.00 C ATOM 74 C THR A 7 -24.073 -36.041 -24.851 1.00100.00 C ATOM 75 O THR A 7 -25.134 -36.298 -25.425 1.00100.00 O ATOM 76 CB THR A 7 -23.618 -33.668 -24.247 1.00100.00 C ATOM 77 OG1 THR A 7 -22.251 -33.707 -24.592 1.00100.00 O ATOM 78 CG2 THR A 7 -23.839 -32.606 -23.172 1.00100.00 C ATOM 0 H THR A 7 -24.304 -35.618 -21.786 1.00100.00 H new ATOM 0 HA THR A 7 -25.127 -34.886 -23.438 1.00100.00 H new ATOM 0 HB THR A 7 -24.198 -33.417 -25.135 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.840 -34.511 -24.211 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.501 -31.638 -23.542 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.900 -32.551 -22.928 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.274 -32.870 -22.278 1.00100.00 H new ATOM 86 N THR A 8 -22.904 -36.656 -25.164 1.00100.00 N ATOM 87 CA THR A 8 -22.838 -37.603 -26.249 1.00100.00 C ATOM 88 C THR A 8 -22.456 -38.964 -25.717 1.00100.00 C ATOM 89 O THR A 8 -21.616 -39.094 -24.824 1.00100.00 O ATOM 90 CB THR A 8 -21.863 -37.167 -27.321 1.00100.00 C ATOM 91 OG1 THR A 8 -22.214 -35.872 -27.762 1.00100.00 O ATOM 92 CG2 THR A 8 -21.913 -38.121 -28.513 1.00100.00 C ATOM 0 H THR A 8 -22.022 -36.501 -24.676 1.00100.00 H new ATOM 0 HA THR A 8 -23.825 -37.654 -26.709 1.00100.00 H new ATOM 0 HB THR A 8 -20.856 -37.172 -26.903 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.586 -35.581 -28.456 1.00100.00 H new ATOM 0 HG21 THR A 8 -21.205 -37.791 -29.273 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.651 -39.127 -28.185 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.919 -38.127 -28.932 1.00100.00 H new ATOM 100 N MET A 9 -23.106 -40.006 -26.284 1.00100.00 N ATOM 101 CA MET A 9 -22.917 -41.388 -25.932 1.00100.00 C ATOM 102 C MET A 9 -22.071 -42.141 -26.938 1.00100.00 C ATOM 103 O MET A 9 -21.728 -41.621 -28.001 1.00100.00 O ATOM 104 CB MET A 9 -24.284 -42.104 -25.719 1.00100.00 C ATOM 105 CG MET A 9 -24.128 -43.468 -25.049 1.00100.00 C ATOM 106 SD MET A 9 -23.369 -43.398 -23.407 1.00100.00 S ATOM 107 CE MET A 9 -22.912 -45.140 -23.240 1.00100.00 C ATOM 0 H MET A 9 -23.797 -39.878 -27.024 1.00100.00 H new ATOM 0 HA MET A 9 -22.368 -41.393 -24.991 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.930 -41.474 -25.108 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.779 -42.230 -26.682 1.00100.00 H new ATOM 0 HG2 MET A 9 -25.109 -43.935 -24.965 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.524 -44.110 -25.690 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.340 -45.542 -22.322 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.294 -45.700 -24.094 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.826 -45.229 -23.204 1.00100.00 H new ATOM 117 N GLU A 10 -21.438 -43.223 -26.412 1.00100.00 N ATOM 118 CA GLU A 10 -20.566 -44.193 -27.045 1.00100.00 C ATOM 119 C GLU A 10 -19.161 -43.750 -27.294 1.00100.00 C ATOM 120 O GLU A 10 -18.323 -44.560 -27.695 1.00100.00 O ATOM 121 CB GLU A 10 -21.139 -44.836 -28.334 1.00100.00 C ATOM 122 CG GLU A 10 -22.492 -45.486 -28.049 1.00100.00 C ATOM 123 CD GLU A 10 -23.032 -46.168 -29.297 1.00100.00 C ATOM 124 OE1 GLU A 10 -23.640 -45.449 -30.117 1.00100.00 O ATOM 125 OE2 GLU A 10 -22.826 -47.396 -29.408 1.00100.00 O ATOM 0 H GLU A 10 -21.553 -43.442 -25.422 1.00100.00 H new ATOM 0 HA GLU A 10 -20.523 -44.956 -26.267 1.00100.00 H new ATOM 0 HB2 GLU A 10 -21.249 -44.077 -29.109 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.443 -45.583 -28.716 1.00100.00 H new ATOM 0 HG2 GLU A 10 -22.389 -46.215 -27.245 1.00100.00 H new ATOM 0 HG3 GLU A 10 -23.199 -44.731 -27.706 1.00100.00 H new ATOM 132 N GLN A 11 -18.859 -42.470 -27.007 1.00100.00 N ATOM 133 CA GLN A 11 -17.536 -41.959 -27.173 1.00100.00 C ATOM 134 C GLN A 11 -16.756 -41.971 -25.870 1.00100.00 C ATOM 135 O GLN A 11 -15.618 -41.515 -25.828 1.00100.00 O ATOM 136 CB GLN A 11 -17.524 -40.675 -28.039 1.00100.00 C ATOM 137 CG GLN A 11 -18.365 -39.536 -27.474 1.00100.00 C ATOM 138 CD GLN A 11 -18.347 -38.361 -28.446 1.00100.00 C ATOM 139 OE1 GLN A 11 -18.905 -38.455 -29.536 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.696 -37.260 -28.062 1.00100.00 N ATOM 0 H GLN A 11 -19.534 -41.789 -26.659 1.00100.00 H new ATOM 0 HA GLN A 11 -16.941 -42.639 -27.782 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.495 -40.333 -28.148 1.00100.00 H new ATOM 0 HB3 GLN A 11 -17.887 -40.920 -29.037 1.00100.00 H new ATOM 0 HG2 GLN A 11 -19.389 -39.872 -27.311 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.973 -39.226 -26.505 1.00100.00 H new ATOM 0 HE21 GLN A 11 -17.247 -37.226 -27.147 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.648 -36.453 -28.684 1.00100.00 H new ATOM 149 N GLU A 12 -17.366 -42.529 -24.785 1.00100.00 N ATOM 150 CA GLU A 12 -16.842 -42.723 -23.441 1.00100.00 C ATOM 151 C GLU A 12 -16.586 -41.479 -22.634 1.00100.00 C ATOM 152 O GLU A 12 -16.723 -40.390 -23.175 1.00100.00 O ATOM 153 CB GLU A 12 -15.732 -43.779 -23.318 1.00100.00 C ATOM 154 CG GLU A 12 -16.237 -45.148 -23.763 1.00100.00 C ATOM 155 CD GLU A 12 -15.208 -46.243 -23.501 1.00100.00 C ATOM 156 OE1 GLU A 12 -14.118 -45.904 -22.989 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.533 -47.408 -23.815 1.00100.00 O ATOM 0 H GLU A 12 -18.321 -42.879 -24.858 1.00100.00 H new ATOM 0 HA GLU A 12 -17.705 -43.165 -22.943 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.876 -43.486 -23.926 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.386 -43.832 -22.286 1.00100.00 H new ATOM 0 HG2 GLU A 12 -17.161 -45.384 -23.235 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.475 -45.120 -24.826 1.00100.00 H new ATOM 164 N ILE A 13 -16.293 -41.582 -21.298 1.00100.00 N ATOM 165 CA ILE A 13 -16.073 -40.390 -20.488 1.00100.00 C ATOM 166 C ILE A 13 -14.976 -40.655 -19.461 1.00100.00 C ATOM 167 O ILE A 13 -15.071 -41.638 -18.720 1.00100.00 O ATOM 168 CB ILE A 13 -17.303 -40.079 -19.615 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.552 -39.930 -20.493 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.056 -38.778 -18.841 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.825 -39.823 -19.652 1.00100.00 C ATOM 0 H ILE A 13 -16.211 -42.464 -20.793 1.00100.00 H new ATOM 0 HA ILE A 13 -15.838 -39.586 -21.185 1.00100.00 H new ATOM 0 HB ILE A 13 -17.463 -40.899 -18.915 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.453 -39.043 -21.119 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.630 -40.786 -21.164 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.924 -38.553 -18.221 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.177 -38.893 -18.207 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.891 -37.962 -19.544 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.688 -39.719 -20.310 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.937 -40.722 -19.046 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.758 -38.952 -19.000 1.00100.00 H new ATOM 183 N CYS A 14 -13.919 -39.793 -19.389 1.00100.00 N ATOM 184 CA CYS A 14 -12.863 -39.911 -18.396 1.00100.00 C ATOM 185 C CYS A 14 -12.728 -38.570 -17.674 1.00100.00 C ATOM 186 O CYS A 14 -13.689 -38.140 -17.036 1.00100.00 O ATOM 187 CB CYS A 14 -11.498 -40.426 -18.900 1.00100.00 C ATOM 188 SG CYS A 14 -10.331 -40.447 -17.509 1.00100.00 S ATOM 0 H CYS A 14 -13.796 -39.006 -20.026 1.00100.00 H new ATOM 0 HA CYS A 14 -13.176 -40.703 -17.715 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.604 -41.427 -19.319 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.123 -39.784 -19.697 1.00100.00 H new ATOM 0 HG CYS A 14 -9.284 -41.148 -17.831 1.00100.00 H new ATOM 194 N ALA A 15 -11.556 -37.862 -17.771 1.00100.00 N ATOM 195 CA ALA A 15 -11.311 -36.588 -17.145 1.00100.00 C ATOM 196 C ALA A 15 -11.534 -35.368 -18.019 1.00100.00 C ATOM 197 O ALA A 15 -12.508 -34.670 -17.755 1.00100.00 O ATOM 198 CB ALA A 15 -9.896 -36.489 -16.554 1.00100.00 C ATOM 0 H ALA A 15 -10.758 -38.200 -18.308 1.00100.00 H new ATOM 0 HA ALA A 15 -12.068 -36.568 -16.361 1.00100.00 H new ATOM 0 HB1 ALA A 15 -9.762 -35.510 -16.094 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.761 -37.265 -15.801 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.160 -36.621 -17.347 1.00100.00 H new ATOM 204 N HIS A 16 -10.690 -35.038 -19.055 1.00100.00 N ATOM 205 CA HIS A 16 -10.983 -33.861 -19.870 1.00100.00 C ATOM 206 C HIS A 16 -10.765 -33.795 -21.374 1.00100.00 C ATOM 207 O HIS A 16 -9.693 -33.449 -21.867 1.00100.00 O ATOM 208 CB HIS A 16 -10.516 -32.499 -19.274 1.00100.00 C ATOM 209 CG HIS A 16 -9.039 -32.352 -19.051 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.367 -32.658 -17.890 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.148 -31.758 -19.904 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.092 -32.255 -18.051 1.00100.00 C ATOM 213 NE2 HIS A 16 -6.910 -31.701 -19.260 1.00100.00 N ATOM 0 H HIS A 16 -9.851 -35.555 -19.316 1.00100.00 H new ATOM 0 HA HIS A 16 -12.054 -34.047 -19.789 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.844 -31.701 -19.940 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.024 -32.348 -18.322 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.364 -31.397 -20.899 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.318 -32.363 -17.306 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.042 -31.316 -19.633 1.00100.00 H new ATOM 221 N SER A 17 -11.833 -34.106 -22.136 1.00100.00 N ATOM 222 CA SER A 17 -11.922 -34.053 -23.575 1.00100.00 C ATOM 223 C SER A 17 -10.898 -34.699 -24.493 1.00100.00 C ATOM 224 O SER A 17 -10.383 -34.025 -25.392 1.00100.00 O ATOM 225 CB SER A 17 -12.239 -32.597 -24.007 1.00100.00 C ATOM 226 OG SER A 17 -13.449 -32.176 -23.416 1.00100.00 O ATOM 0 H SER A 17 -12.707 -34.420 -21.714 1.00100.00 H new ATOM 0 HA SER A 17 -12.723 -34.772 -23.748 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.427 -31.934 -23.707 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.314 -32.538 -25.093 1.00100.00 H new ATOM 0 HG SER A 17 -13.644 -31.256 -23.690 1.00100.00 H new ATOM 232 N MET A 18 -10.565 -36.008 -24.308 1.00100.00 N ATOM 233 CA MET A 18 -9.604 -36.636 -25.199 1.00100.00 C ATOM 234 C MET A 18 -9.888 -37.951 -25.880 1.00100.00 C ATOM 235 O MET A 18 -10.727 -37.973 -26.769 1.00100.00 O ATOM 236 CB MET A 18 -8.116 -36.591 -24.779 1.00100.00 C ATOM 237 CG MET A 18 -7.399 -35.307 -25.201 1.00100.00 C ATOM 238 SD MET A 18 -7.770 -33.822 -24.239 1.00100.00 S ATOM 239 CE MET A 18 -6.745 -32.643 -25.154 1.00100.00 C ATOM 0 H MET A 18 -10.941 -36.610 -23.576 1.00100.00 H new ATOM 0 HA MET A 18 -9.806 -35.899 -25.976 1.00100.00 H new ATOM 0 HB2 MET A 18 -8.050 -36.695 -23.696 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.598 -37.446 -25.214 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.325 -35.485 -25.153 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.643 -35.107 -26.244 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.840 -31.654 -24.706 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.703 -32.960 -25.115 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.074 -32.604 -26.193 1.00100.00 H new ATOM 249 N THR A 19 -9.140 -39.047 -25.572 1.00100.00 N ATOM 250 CA THR A 19 -9.282 -40.327 -26.230 1.00100.00 C ATOM 251 C THR A 19 -9.129 -41.444 -25.227 1.00100.00 C ATOM 252 O THR A 19 -8.615 -41.245 -24.126 1.00100.00 O ATOM 253 CB THR A 19 -8.210 -40.501 -27.321 1.00100.00 C ATOM 254 OG1 THR A 19 -8.183 -39.337 -28.117 1.00100.00 O ATOM 255 CG2 THR A 19 -8.465 -41.698 -28.236 1.00100.00 C ATOM 0 H THR A 19 -8.421 -39.041 -24.849 1.00100.00 H new ATOM 0 HA THR A 19 -10.272 -40.362 -26.684 1.00100.00 H new ATOM 0 HB THR A 19 -7.263 -40.675 -26.811 1.00100.00 H new ATOM 0 HG1 THR A 19 -7.503 -39.434 -28.816 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.672 -41.762 -28.981 1.00100.00 H new ATOM 0 HG22 THR A 19 -8.480 -42.613 -27.643 1.00100.00 H new ATOM 0 HG23 THR A 19 -9.425 -41.575 -28.737 1.00100.00 H new ATOM 263 N PHE A 20 -9.569 -42.670 -25.599 1.00100.00 N ATOM 264 CA PHE A 20 -9.496 -43.860 -24.782 1.00100.00 C ATOM 265 C PHE A 20 -8.054 -44.146 -24.427 1.00100.00 C ATOM 266 O PHE A 20 -7.739 -44.401 -23.264 1.00100.00 O ATOM 267 CB PHE A 20 -10.065 -45.056 -25.596 1.00100.00 C ATOM 268 CG PHE A 20 -10.014 -46.377 -24.864 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.885 -47.201 -24.980 1.00100.00 C ATOM 270 CD2 PHE A 20 -11.096 -46.784 -24.075 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.844 -48.431 -24.309 1.00100.00 C ATOM 272 CE2 PHE A 20 -11.057 -48.012 -23.406 1.00100.00 C ATOM 273 CZ PHE A 20 -9.933 -48.837 -23.524 1.00100.00 C ATOM 0 H PHE A 20 -9.995 -42.841 -26.510 1.00100.00 H new ATOM 0 HA PHE A 20 -10.071 -43.715 -23.867 1.00100.00 H new ATOM 0 HB2 PHE A 20 -11.099 -44.841 -25.864 1.00100.00 H new ATOM 0 HB3 PHE A 20 -9.507 -45.147 -26.528 1.00100.00 H new ATOM 0 HD1 PHE A 20 -8.048 -46.888 -25.586 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.964 -46.148 -23.982 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.974 -49.066 -24.396 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.894 -48.323 -22.799 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.904 -49.787 -23.010 1.00100.00 H new ATOM 283 N GLU A 21 -7.154 -44.078 -25.432 1.00100.00 N ATOM 284 CA GLU A 21 -5.741 -44.302 -25.270 1.00100.00 C ATOM 285 C GLU A 21 -5.140 -43.242 -24.398 1.00100.00 C ATOM 286 O GLU A 21 -4.264 -43.516 -23.578 1.00100.00 O ATOM 287 CB GLU A 21 -4.990 -44.309 -26.611 1.00100.00 C ATOM 288 CG GLU A 21 -5.562 -45.386 -27.531 1.00100.00 C ATOM 289 CD GLU A 21 -4.827 -45.402 -28.863 1.00100.00 C ATOM 290 OE1 GLU A 21 -4.997 -44.417 -29.617 1.00100.00 O ATOM 291 OE2 GLU A 21 -4.107 -46.395 -29.106 1.00100.00 O ATOM 0 H GLU A 21 -7.418 -43.859 -26.393 1.00100.00 H new ATOM 0 HA GLU A 21 -5.636 -45.284 -24.809 1.00100.00 H new ATOM 0 HB2 GLU A 21 -5.073 -43.332 -27.087 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.929 -44.492 -26.441 1.00100.00 H new ATOM 0 HG2 GLU A 21 -5.479 -46.362 -27.052 1.00100.00 H new ATOM 0 HG3 GLU A 21 -6.623 -45.202 -27.698 1.00100.00 H new ATOM 298 N GLU A 22 -5.614 -41.994 -24.588 1.00100.00 N ATOM 299 CA GLU A 22 -5.194 -40.827 -23.869 1.00100.00 C ATOM 300 C GLU A 22 -5.669 -40.778 -22.446 1.00100.00 C ATOM 301 O GLU A 22 -5.049 -40.088 -21.637 1.00100.00 O ATOM 302 CB GLU A 22 -5.645 -39.539 -24.586 1.00100.00 C ATOM 303 CG GLU A 22 -5.020 -39.416 -25.974 1.00100.00 C ATOM 304 CD GLU A 22 -3.520 -39.189 -25.873 1.00100.00 C ATOM 305 OE1 GLU A 22 -3.145 -38.140 -25.305 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.777 -40.064 -26.367 1.00100.00 O ATOM 0 H GLU A 22 -6.331 -41.789 -25.283 1.00100.00 H new ATOM 0 HA GLU A 22 -4.106 -40.892 -23.847 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.731 -39.533 -24.674 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.370 -38.672 -23.985 1.00100.00 H new ATOM 0 HG2 GLU A 22 -5.217 -40.321 -26.548 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.482 -38.589 -26.514 1.00100.00 H new ATOM 313 N CYS A 23 -6.691 -41.593 -22.066 1.00100.00 N ATOM 314 CA CYS A 23 -7.274 -41.575 -20.743 1.00100.00 C ATOM 315 C CYS A 23 -6.310 -41.740 -19.592 1.00100.00 C ATOM 316 O CYS A 23 -6.467 -40.955 -18.657 1.00100.00 O ATOM 317 CB CYS A 23 -8.356 -42.644 -20.584 1.00100.00 C ATOM 318 SG CYS A 23 -8.919 -42.823 -18.876 1.00100.00 S ATOM 0 H CYS A 23 -7.119 -42.276 -22.691 1.00100.00 H new ATOM 0 HA CYS A 23 -7.684 -40.567 -20.683 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.206 -42.391 -21.217 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.970 -43.600 -20.936 1.00100.00 H new ATOM 0 HG CYS A 23 -9.979 -42.094 -18.690 1.00100.00 H new ATOM 324 N PRO A 24 -5.306 -42.680 -19.562 1.00100.00 N ATOM 325 CA PRO A 24 -4.387 -42.762 -18.448 1.00100.00 C ATOM 326 C PRO A 24 -3.579 -41.503 -18.263 1.00100.00 C ATOM 327 O PRO A 24 -3.192 -41.240 -17.123 1.00100.00 O ATOM 328 CB PRO A 24 -3.528 -44.007 -18.674 1.00100.00 C ATOM 329 CG PRO A 24 -3.614 -44.189 -20.193 1.00100.00 C ATOM 330 CD PRO A 24 -5.019 -43.699 -20.541 1.00100.00 C ATOM 0 HA PRO A 24 -4.933 -42.854 -17.509 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.501 -43.859 -18.339 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.917 -44.873 -18.138 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.849 -43.609 -20.709 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.471 -45.231 -20.480 1.00100.00 H new ATOM 0 HD2 PRO A 24 -5.058 -43.297 -21.553 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.745 -44.511 -20.492 1.00100.00 H new ATOM 338 N LYS A 25 -3.303 -40.741 -19.362 1.00100.00 N ATOM 339 CA LYS A 25 -2.565 -39.504 -19.287 1.00100.00 C ATOM 340 C LYS A 25 -3.324 -38.526 -18.463 1.00100.00 C ATOM 341 O LYS A 25 -2.726 -37.886 -17.592 1.00100.00 O ATOM 342 CB LYS A 25 -2.278 -38.813 -20.631 1.00100.00 C ATOM 343 CG LYS A 25 -1.478 -39.756 -21.525 1.00100.00 C ATOM 344 CD LYS A 25 -1.092 -39.030 -22.811 1.00100.00 C ATOM 345 CE LYS A 25 -0.303 -39.963 -23.728 1.00100.00 C ATOM 346 NZ LYS A 25 -1.114 -41.118 -24.140 1.00100.00 N ATOM 0 H LYS A 25 -3.597 -40.990 -20.306 1.00100.00 H new ATOM 0 HA LYS A 25 -1.604 -39.791 -18.860 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.213 -38.538 -21.118 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.721 -37.890 -20.467 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.583 -40.097 -21.004 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.068 -40.642 -21.758 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.989 -38.679 -23.322 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.494 -38.150 -22.575 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.028 -39.415 -24.610 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.593 -40.310 -23.213 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.642 -41.612 -24.924 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.224 -41.769 -23.337 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -2.051 -40.791 -24.451 1.00100.00 H new ATOM 360 N CYS A 26 -4.656 -38.413 -18.709 1.00100.00 N ATOM 361 CA CYS A 26 -5.381 -37.511 -17.887 1.00100.00 C ATOM 362 C CYS A 26 -6.431 -38.114 -17.052 1.00100.00 C ATOM 363 O CYS A 26 -7.527 -38.481 -17.474 1.00100.00 O ATOM 364 CB CYS A 26 -5.824 -36.182 -18.480 1.00100.00 C ATOM 365 SG CYS A 26 -6.799 -35.266 -17.266 1.00100.00 S ATOM 0 H CYS A 26 -5.186 -38.911 -19.424 1.00100.00 H new ATOM 0 HA CYS A 26 -4.564 -37.227 -17.224 1.00100.00 H new ATOM 0 HB2 CYS A 26 -4.953 -35.597 -18.777 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.415 -36.354 -19.380 1.00100.00 H new ATOM 0 HG CYS A 26 -7.678 -34.532 -17.881 1.00100.00 H new ATOM 371 N SER A 27 -5.976 -38.233 -15.805 1.00100.00 N ATOM 372 CA SER A 27 -6.637 -38.647 -14.609 1.00100.00 C ATOM 373 C SER A 27 -6.204 -37.495 -13.697 1.00100.00 C ATOM 374 O SER A 27 -6.094 -37.639 -12.478 1.00100.00 O ATOM 375 CB SER A 27 -6.064 -39.983 -14.086 1.00100.00 C ATOM 376 OG SER A 27 -6.277 -40.992 -15.049 1.00100.00 O ATOM 0 H SER A 27 -5.002 -38.006 -15.606 1.00100.00 H new ATOM 0 HA SER A 27 -7.710 -38.817 -14.702 1.00100.00 H new ATOM 0 HB2 SER A 27 -4.998 -39.879 -13.881 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.544 -40.255 -13.146 1.00100.00 H new ATOM 0 HG SER A 27 -5.913 -41.840 -14.720 1.00100.00 H new ATOM 382 N ALA A 28 -5.974 -36.300 -14.313 1.00100.00 N ATOM 383 CA ALA A 28 -5.505 -35.083 -13.746 1.00100.00 C ATOM 384 C ALA A 28 -6.520 -34.400 -12.903 1.00100.00 C ATOM 385 O ALA A 28 -7.710 -34.708 -12.940 1.00100.00 O ATOM 386 CB ALA A 28 -4.978 -34.090 -14.804 1.00100.00 C ATOM 0 H ALA A 28 -6.141 -36.197 -15.314 1.00100.00 H new ATOM 0 HA ALA A 28 -4.676 -35.388 -13.108 1.00100.00 H new ATOM 0 HB1 ALA A 28 -4.634 -33.181 -14.310 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.149 -34.543 -15.348 1.00100.00 H new ATOM 0 HB3 ALA A 28 -5.778 -33.844 -15.502 1.00100.00 H new ATOM 392 N LEU A 29 -6.018 -33.394 -12.164 1.00100.00 N ATOM 393 CA LEU A 29 -6.725 -32.596 -11.216 1.00100.00 C ATOM 394 C LEU A 29 -7.907 -31.886 -11.790 1.00100.00 C ATOM 395 O LEU A 29 -8.913 -31.777 -11.085 1.00100.00 O ATOM 396 CB LEU A 29 -5.821 -31.503 -10.612 1.00100.00 C ATOM 397 CG LEU A 29 -4.581 -32.103 -9.941 1.00100.00 C ATOM 398 CD1 LEU A 29 -3.707 -30.967 -9.411 1.00100.00 C ATOM 399 CD2 LEU A 29 -4.976 -33.014 -8.778 1.00100.00 C ATOM 0 H LEU A 29 -5.038 -33.120 -12.238 1.00100.00 H new ATOM 0 HA LEU A 29 -7.058 -33.311 -10.464 1.00100.00 H new ATOM 0 HB2 LEU A 29 -5.512 -30.811 -11.396 1.00100.00 H new ATOM 0 HB3 LEU A 29 -6.387 -30.925 -9.881 1.00100.00 H new ATOM 0 HG LEU A 29 -4.037 -32.695 -10.676 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.821 -31.383 -8.931 1.00100.00 H new ATOM 0 HD12 LEU A 29 -3.404 -30.325 -10.238 1.00100.00 H new ATOM 0 HD13 LEU A 29 -4.272 -30.382 -8.685 1.00100.00 H new ATOM 0 HD21 LEU A 29 -4.078 -33.427 -8.318 1.00100.00 H new ATOM 0 HD22 LEU A 29 -5.531 -32.438 -8.037 1.00100.00 H new ATOM 0 HD23 LEU A 29 -5.601 -33.827 -9.148 1.00100.00 H new ATOM 411 N GLN A 30 -7.845 -31.417 -13.059 1.00100.00 N ATOM 412 CA GLN A 30 -8.940 -30.689 -13.648 1.00100.00 C ATOM 413 C GLN A 30 -10.248 -31.430 -13.783 1.00100.00 C ATOM 414 O GLN A 30 -11.259 -30.895 -13.331 1.00100.00 O ATOM 415 CB GLN A 30 -8.540 -30.112 -15.018 1.00100.00 C ATOM 416 CG GLN A 30 -7.269 -29.273 -14.872 1.00100.00 C ATOM 417 CD GLN A 30 -6.845 -28.654 -16.197 1.00100.00 C ATOM 418 OE1 GLN A 30 -7.030 -29.250 -17.255 1.00100.00 O ATOM 419 NE2 GLN A 30 -6.267 -27.451 -16.135 1.00100.00 N ATOM 0 H GLN A 30 -7.041 -31.541 -13.674 1.00100.00 H new ATOM 0 HA GLN A 30 -9.135 -29.899 -12.923 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.374 -30.921 -15.730 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.349 -29.499 -15.415 1.00100.00 H new ATOM 0 HG2 GLN A 30 -7.437 -28.484 -14.139 1.00100.00 H new ATOM 0 HG3 GLN A 30 -6.463 -29.898 -14.488 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.135 -26.995 -15.232 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.958 -26.989 -16.990 1.00100.00 H new ATOM 428 N TYR A 31 -10.263 -32.672 -14.353 1.00100.00 N ATOM 429 CA TYR A 31 -11.467 -33.485 -14.542 1.00100.00 C ATOM 430 C TYR A 31 -12.612 -32.716 -15.203 1.00100.00 C ATOM 431 O TYR A 31 -13.784 -32.949 -14.890 1.00100.00 O ATOM 432 CB TYR A 31 -12.052 -34.158 -13.260 1.00100.00 C ATOM 433 CG TYR A 31 -11.091 -35.107 -12.583 1.00100.00 C ATOM 434 CD1 TYR A 31 -10.836 -36.361 -13.154 1.00100.00 C ATOM 435 CD2 TYR A 31 -10.475 -34.742 -11.378 1.00100.00 C ATOM 436 CE1 TYR A 31 -9.966 -37.258 -12.522 1.00100.00 C ATOM 437 CE2 TYR A 31 -9.604 -35.633 -10.737 1.00100.00 C ATOM 438 CZ TYR A 31 -9.348 -36.898 -11.306 1.00100.00 C ATOM 439 OH TYR A 31 -8.507 -37.771 -10.682 1.00100.00 O ATOM 0 H TYR A 31 -9.416 -33.128 -14.694 1.00100.00 H new ATOM 0 HA TYR A 31 -11.088 -34.273 -15.193 1.00100.00 H new ATOM 0 HB2 TYR A 31 -12.342 -33.381 -12.552 1.00100.00 H new ATOM 0 HB3 TYR A 31 -12.959 -34.701 -13.526 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.312 -36.636 -14.084 1.00100.00 H new ATOM 0 HD2 TYR A 31 -10.672 -33.773 -10.943 1.00100.00 H new ATOM 0 HE1 TYR A 31 -9.769 -38.223 -12.964 1.00100.00 H new ATOM 0 HE2 TYR A 31 -9.129 -35.352 -9.809 1.00100.00 H new ATOM 0 HH TYR A 31 -7.657 -37.811 -11.169 1.00100.00 H new ATOM 449 N ARG A 32 -12.309 -31.826 -16.176 1.00100.00 N ATOM 450 CA ARG A 32 -13.322 -30.996 -16.787 1.00100.00 C ATOM 451 C ARG A 32 -14.456 -31.600 -17.557 1.00100.00 C ATOM 452 O ARG A 32 -15.597 -31.184 -17.337 1.00100.00 O ATOM 453 CB ARG A 32 -12.776 -29.868 -17.687 1.00100.00 C ATOM 454 CG ARG A 32 -12.035 -28.839 -16.838 1.00100.00 C ATOM 455 CD ARG A 32 -11.684 -27.619 -17.685 1.00100.00 C ATOM 456 NE ARG A 32 -10.749 -27.966 -18.758 1.00100.00 N ATOM 457 CZ ARG A 32 -9.450 -27.634 -18.753 1.00100.00 C ATOM 458 NH1 ARG A 32 -8.928 -26.936 -17.735 1.00100.00 N ATOM 459 NH2 ARG A 32 -8.666 -28.007 -19.774 1.00100.00 N ATOM 0 H ARG A 32 -11.368 -31.679 -16.540 1.00100.00 H new ATOM 0 HA ARG A 32 -13.739 -30.650 -15.841 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.105 -30.283 -18.439 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.596 -29.389 -18.222 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.654 -28.539 -15.993 1.00100.00 H new ATOM 0 HG3 ARG A 32 -11.127 -29.280 -16.427 1.00100.00 H new ATOM 0 HD2 ARG A 32 -12.593 -27.198 -18.114 1.00100.00 H new ATOM 0 HD3 ARG A 32 -11.244 -26.849 -17.052 1.00100.00 H new ATOM 0 HE ARG A 32 -11.107 -28.491 -19.556 1.00100.00 H new ATOM 0 HH11 ARG A 32 -9.520 -26.652 -16.954 1.00100.00 H new ATOM 0 HH12 ARG A 32 -7.939 -26.688 -17.741 1.00100.00 H new ATOM 0 HH21 ARG A 32 -9.058 -28.541 -20.550 1.00100.00 H new ATOM 0 HH22 ARG A 32 -7.677 -27.757 -19.775 1.00100.00 H new ATOM 473 N ASN A 33 -14.198 -32.581 -18.454 1.00100.00 N ATOM 474 CA ASN A 33 -15.281 -33.120 -19.233 1.00100.00 C ATOM 475 C ASN A 33 -15.160 -34.625 -19.258 1.00100.00 C ATOM 476 O ASN A 33 -15.853 -35.310 -18.505 1.00100.00 O ATOM 477 CB ASN A 33 -15.247 -32.490 -20.648 1.00100.00 C ATOM 478 CG ASN A 33 -16.465 -32.879 -21.476 1.00100.00 C ATOM 479 OD1 ASN A 33 -17.417 -33.459 -20.960 1.00100.00 O ATOM 480 ND2 ASN A 33 -16.432 -32.545 -22.768 1.00100.00 N ATOM 0 H ASN A 33 -13.280 -32.987 -18.635 1.00100.00 H new ATOM 0 HA ASN A 33 -16.248 -32.876 -18.793 1.00100.00 H new ATOM 0 HB2 ASN A 33 -15.200 -31.405 -20.560 1.00100.00 H new ATOM 0 HB3 ASN A 33 -14.341 -32.808 -21.164 1.00100.00 H new ATOM 0 HD21 ASN A 33 -17.221 -32.771 -23.374 1.00100.00 H new ATOM 0 HD22 ASN A 33 -15.618 -32.064 -23.150 1.00100.00 H new ATOM 487 N GLY A 34 -14.247 -35.169 -20.106 1.00100.00 N ATOM 488 CA GLY A 34 -14.028 -36.593 -20.210 1.00100.00 C ATOM 489 C GLY A 34 -12.853 -36.818 -21.117 1.00100.00 C ATOM 490 O GLY A 34 -12.933 -36.571 -22.314 1.00100.00 O ATOM 0 H GLY A 34 -13.656 -34.614 -20.725 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.837 -37.022 -19.226 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.915 -37.087 -20.606 1.00100.00 H new ATOM 494 N PHE A 35 -11.743 -37.384 -20.588 1.00100.00 N ATOM 495 CA PHE A 35 -10.520 -37.609 -21.314 1.00100.00 C ATOM 496 C PHE A 35 -10.674 -38.766 -22.268 1.00100.00 C ATOM 497 O PHE A 35 -9.769 -38.987 -23.064 1.00100.00 O ATOM 498 CB PHE A 35 -9.301 -37.802 -20.389 1.00100.00 C ATOM 499 CG PHE A 35 -8.076 -37.113 -20.946 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.017 -35.713 -20.955 1.00100.00 C ATOM 501 CD2 PHE A 35 -7.001 -37.851 -21.450 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.895 -35.049 -21.465 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.865 -37.189 -21.940 1.00100.00 C ATOM 504 CZ PHE A 35 -5.816 -35.790 -21.959 1.00100.00 C ATOM 0 H PHE A 35 -11.696 -37.697 -19.618 1.00100.00 H new ATOM 0 HA PHE A 35 -10.322 -36.706 -21.892 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.526 -37.405 -19.399 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.099 -38.866 -20.267 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.845 -35.140 -20.565 1.00100.00 H new ATOM 0 HD2 PHE A 35 -7.045 -38.930 -21.462 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.863 -33.970 -21.477 1.00100.00 H new ATOM 0 HE2 PHE A 35 -5.025 -37.761 -22.304 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.947 -35.284 -22.354 1.00100.00 H new ATOM 514 N TYR A 36 -11.757 -39.580 -22.154 1.00100.00 N ATOM 515 CA TYR A 36 -12.017 -40.619 -23.120 1.00100.00 C ATOM 516 C TYR A 36 -13.048 -40.045 -24.085 1.00100.00 C ATOM 517 O TYR A 36 -13.132 -40.491 -25.229 1.00100.00 O ATOM 518 CB TYR A 36 -12.826 -41.883 -22.693 1.00100.00 C ATOM 519 CG TYR A 36 -12.317 -42.937 -21.733 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.680 -44.088 -22.202 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.720 -42.909 -20.399 1.00100.00 C ATOM 522 CE1 TYR A 36 -11.255 -45.091 -21.319 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.348 -43.916 -19.499 1.00100.00 C ATOM 524 CZ TYR A 36 -11.574 -45.000 -19.951 1.00100.00 C ATOM 525 OH TYR A 36 -11.193 -45.982 -19.086 1.00100.00 O ATOM 0 H TYR A 36 -12.443 -39.518 -21.402 1.00100.00 H new ATOM 0 HA TYR A 36 -11.011 -40.903 -23.428 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.762 -41.516 -22.271 1.00100.00 H new ATOM 0 HB3 TYR A 36 -13.076 -42.408 -23.615 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.512 -44.208 -23.262 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.334 -42.091 -20.051 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.685 -45.931 -21.687 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.654 -43.860 -18.465 1.00100.00 H new ATOM 0 HH TYR A 36 -11.495 -45.757 -18.181 1.00100.00 H new ATOM 535 N LEU A 37 -13.779 -38.975 -23.663 1.00100.00 N ATOM 536 CA LEU A 37 -14.893 -38.402 -24.364 1.00100.00 C ATOM 537 C LEU A 37 -14.798 -37.838 -25.722 1.00100.00 C ATOM 538 O LEU A 37 -15.661 -38.205 -26.514 1.00100.00 O ATOM 539 CB LEU A 37 -15.673 -37.395 -23.468 1.00100.00 C ATOM 540 CG LEU A 37 -16.986 -36.870 -24.059 1.00100.00 C ATOM 541 CD1 LEU A 37 -18.072 -37.944 -24.099 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.479 -35.732 -23.170 1.00100.00 C ATOM 0 H LEU A 37 -13.575 -38.492 -22.788 1.00100.00 H new ATOM 0 HA LEU A 37 -15.400 -39.343 -24.576 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.890 -37.876 -22.514 1.00100.00 H new ATOM 0 HB3 LEU A 37 -15.024 -36.545 -23.256 1.00100.00 H new ATOM 0 HG LEU A 37 -16.794 -36.545 -25.081 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.983 -37.524 -24.526 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.735 -38.779 -24.713 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.274 -38.296 -23.087 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.414 -35.338 -23.568 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.643 -36.105 -22.159 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.732 -34.938 -23.147 1.00100.00 H new ATOM 554 N LEU A 38 -13.774 -37.027 -26.072 1.00100.00 N ATOM 555 CA LEU A 38 -13.760 -36.422 -27.392 1.00100.00 C ATOM 556 C LEU A 38 -13.737 -37.455 -28.481 1.00100.00 C ATOM 557 O LEU A 38 -14.520 -37.344 -29.428 1.00100.00 O ATOM 558 CB LEU A 38 -12.591 -35.428 -27.576 1.00100.00 C ATOM 559 CG LEU A 38 -12.646 -34.688 -28.913 1.00100.00 C ATOM 560 CD1 LEU A 38 -13.892 -33.808 -29.006 1.00100.00 C ATOM 561 CD2 LEU A 38 -11.402 -33.808 -29.024 1.00100.00 C ATOM 0 H LEU A 38 -12.982 -36.792 -25.474 1.00100.00 H new ATOM 0 HA LEU A 38 -14.690 -35.859 -27.471 1.00100.00 H new ATOM 0 HB2 LEU A 38 -12.607 -34.702 -26.763 1.00100.00 H new ATOM 0 HB3 LEU A 38 -11.647 -35.968 -27.503 1.00100.00 H new ATOM 0 HG LEU A 38 -12.684 -35.417 -29.722 1.00100.00 H new ATOM 0 HD11 LEU A 38 -13.904 -33.294 -29.967 1.00100.00 H new ATOM 0 HD12 LEU A 38 -14.783 -34.429 -28.915 1.00100.00 H new ATOM 0 HD13 LEU A 38 -13.879 -33.072 -28.202 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.420 -33.270 -29.972 1.00100.00 H new ATOM 0 HD22 LEU A 38 -11.387 -33.093 -28.201 1.00100.00 H new ATOM 0 HD23 LEU A 38 -10.510 -34.432 -28.978 1.00100.00 H new ATOM 573 N LYS A 39 -12.878 -38.491 -28.355 1.00100.00 N ATOM 574 CA LYS A 39 -12.822 -39.521 -29.349 1.00100.00 C ATOM 575 C LYS A 39 -12.627 -40.907 -28.859 1.00100.00 C ATOM 576 O LYS A 39 -11.725 -41.197 -28.070 1.00100.00 O ATOM 577 CB LYS A 39 -11.772 -39.343 -30.477 1.00100.00 C ATOM 578 CG LYS A 39 -12.062 -38.082 -31.286 1.00100.00 C ATOM 579 CD LYS A 39 -11.100 -37.990 -32.467 1.00100.00 C ATOM 580 CE LYS A 39 -11.414 -36.738 -33.280 1.00100.00 C ATOM 581 NZ LYS A 39 -10.517 -36.625 -34.441 1.00100.00 N ATOM 0 H LYS A 39 -12.232 -38.612 -27.575 1.00100.00 H new ATOM 0 HA LYS A 39 -13.831 -39.389 -29.739 1.00100.00 H new ATOM 0 HB2 LYS A 39 -10.773 -39.283 -30.045 1.00100.00 H new ATOM 0 HB3 LYS A 39 -11.784 -40.213 -31.133 1.00100.00 H new ATOM 0 HG2 LYS A 39 -13.091 -38.098 -31.645 1.00100.00 H new ATOM 0 HG3 LYS A 39 -11.959 -37.201 -30.652 1.00100.00 H new ATOM 0 HD2 LYS A 39 -10.071 -37.956 -32.110 1.00100.00 H new ATOM 0 HD3 LYS A 39 -11.191 -38.877 -33.094 1.00100.00 H new ATOM 0 HE2 LYS A 39 -12.450 -36.770 -33.618 1.00100.00 H new ATOM 0 HE3 LYS A 39 -11.311 -35.855 -32.649 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -10.751 -35.765 -34.978 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -9.531 -36.572 -34.114 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -10.634 -37.458 -35.053 1.00100.00 H new ATOM 595 N TYR A 40 -13.519 -41.796 -29.341 1.00100.00 N ATOM 596 CA TYR A 40 -13.417 -43.207 -29.068 1.00100.00 C ATOM 597 C TYR A 40 -13.037 -43.834 -30.417 1.00100.00 C ATOM 598 O TYR A 40 -12.849 -45.047 -30.521 1.00100.00 O ATOM 599 CB TYR A 40 -14.720 -43.855 -28.512 1.00100.00 C ATOM 600 CG TYR A 40 -14.512 -45.277 -28.052 1.00100.00 C ATOM 601 CD1 TYR A 40 -13.770 -45.522 -26.889 1.00100.00 C ATOM 602 CD2 TYR A 40 -15.044 -46.346 -28.788 1.00100.00 C ATOM 603 CE1 TYR A 40 -13.555 -46.835 -26.456 1.00100.00 C ATOM 604 CE2 TYR A 40 -14.832 -47.664 -28.361 1.00100.00 C ATOM 605 CZ TYR A 40 -14.084 -47.914 -27.192 1.00100.00 C ATOM 606 OH TYR A 40 -13.870 -49.191 -26.768 1.00100.00 O ATOM 0 H TYR A 40 -14.316 -41.539 -29.923 1.00100.00 H new ATOM 0 HA TYR A 40 -12.685 -43.379 -28.279 1.00100.00 H new ATOM 0 HB2 TYR A 40 -15.091 -43.258 -27.679 1.00100.00 H new ATOM 0 HB3 TYR A 40 -15.489 -43.836 -29.284 1.00100.00 H new ATOM 0 HD1 TYR A 40 -13.363 -44.695 -26.325 1.00100.00 H new ATOM 0 HD2 TYR A 40 -15.617 -46.154 -29.683 1.00100.00 H new ATOM 0 HE1 TYR A 40 -12.984 -47.021 -25.558 1.00100.00 H new ATOM 0 HE2 TYR A 40 -15.241 -48.488 -28.927 1.00100.00 H new ATOM 0 HH TYR A 40 -14.302 -49.817 -27.386 1.00100.00 H new ATOM 616 N ASP A 41 -12.825 -42.988 -31.470 1.00100.00 N ATOM 617 CA ASP A 41 -12.485 -43.347 -32.822 1.00100.00 C ATOM 618 C ASP A 41 -13.514 -44.273 -33.430 1.00100.00 C ATOM 619 O ASP A 41 -13.200 -45.257 -34.105 1.00100.00 O ATOM 620 CB ASP A 41 -11.029 -43.879 -32.966 1.00100.00 C ATOM 621 CG ASP A 41 -10.644 -44.056 -34.430 1.00100.00 C ATOM 622 OD1 ASP A 41 -10.686 -43.038 -35.154 1.00100.00 O ATOM 623 OD2 ASP A 41 -10.320 -45.205 -34.798 1.00100.00 O ATOM 0 H ASP A 41 -12.900 -41.977 -31.356 1.00100.00 H new ATOM 0 HA ASP A 41 -12.509 -42.425 -33.403 1.00100.00 H new ATOM 0 HB2 ASP A 41 -10.338 -43.185 -32.488 1.00100.00 H new ATOM 0 HB3 ASP A 41 -10.935 -44.832 -32.446 1.00100.00 H new ATOM 628 N GLU A 42 -14.801 -43.949 -33.175 1.00100.00 N ATOM 629 CA GLU A 42 -15.895 -44.705 -33.714 1.00100.00 C ATOM 630 C GLU A 42 -16.374 -43.816 -34.827 1.00100.00 C ATOM 631 O GLU A 42 -16.524 -42.603 -34.651 1.00100.00 O ATOM 632 CB GLU A 42 -17.046 -44.981 -32.721 1.00100.00 C ATOM 633 CG GLU A 42 -18.170 -45.798 -33.353 1.00100.00 C ATOM 634 CD GLU A 42 -19.252 -46.103 -32.322 1.00100.00 C ATOM 635 OE1 GLU A 42 -18.885 -46.642 -31.255 1.00100.00 O ATOM 636 OE2 GLU A 42 -20.426 -45.790 -32.617 1.00100.00 O ATOM 0 H GLU A 42 -15.083 -43.160 -32.593 1.00100.00 H new ATOM 0 HA GLU A 42 -15.575 -45.704 -34.009 1.00100.00 H new ATOM 0 HB2 GLU A 42 -16.655 -45.514 -31.854 1.00100.00 H new ATOM 0 HB3 GLU A 42 -17.447 -44.034 -32.360 1.00100.00 H new ATOM 0 HG2 GLU A 42 -18.601 -45.248 -34.190 1.00100.00 H new ATOM 0 HG3 GLU A 42 -17.770 -46.729 -33.755 1.00100.00 H new ATOM 706 N PRO A 46 -21.838 -42.418 -41.255 1.00100.00 N ATOM 707 CA PRO A 46 -21.291 -42.751 -42.543 1.00100.00 C ATOM 708 C PRO A 46 -22.418 -42.771 -43.533 1.00100.00 C ATOM 709 O PRO A 46 -23.110 -43.779 -43.680 1.00100.00 O ATOM 710 CB PRO A 46 -20.574 -44.085 -42.338 1.00100.00 C ATOM 711 CG PRO A 46 -21.426 -44.746 -41.254 1.00100.00 C ATOM 712 CD PRO A 46 -21.846 -43.568 -40.375 1.00100.00 C ATOM 0 HA PRO A 46 -20.570 -42.039 -42.945 1.00100.00 H new ATOM 0 HB2 PRO A 46 -20.547 -44.678 -43.252 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.542 -43.947 -42.017 1.00100.00 H new ATOM 0 HG2 PRO A 46 -22.289 -45.260 -41.677 1.00100.00 H new ATOM 0 HG3 PRO A 46 -20.858 -45.487 -40.691 1.00100.00 H new ATOM 0 HD2 PRO A 46 -22.835 -43.729 -39.946 1.00100.00 H new ATOM 0 HD3 PRO A 46 -21.156 -43.432 -39.542 1.00100.00 H new ATOM 720 N GLU A 47 -22.591 -41.630 -44.230 1.00100.00 N ATOM 721 CA GLU A 47 -23.615 -41.404 -45.214 1.00100.00 C ATOM 722 C GLU A 47 -23.461 -42.363 -46.351 1.00100.00 C ATOM 723 O GLU A 47 -24.454 -42.920 -46.816 1.00100.00 O ATOM 724 CB GLU A 47 -23.541 -39.980 -45.800 1.00100.00 C ATOM 725 CG GLU A 47 -23.753 -38.947 -44.695 1.00100.00 C ATOM 726 CD GLU A 47 -23.727 -37.535 -45.262 1.00100.00 C ATOM 727 OE1 GLU A 47 -22.625 -37.106 -45.669 1.00100.00 O ATOM 728 OE2 GLU A 47 -24.810 -36.910 -45.280 1.00100.00 O ATOM 0 H GLU A 47 -21.984 -40.820 -44.101 1.00100.00 H new ATOM 0 HA GLU A 47 -24.571 -41.543 -44.709 1.00100.00 H new ATOM 0 HB2 GLU A 47 -22.572 -39.823 -46.274 1.00100.00 H new ATOM 0 HB3 GLU A 47 -24.298 -39.857 -46.574 1.00100.00 H new ATOM 0 HG2 GLU A 47 -24.708 -39.128 -44.201 1.00100.00 H new ATOM 0 HG3 GLU A 47 -22.977 -39.054 -43.938 1.00100.00 H new ATOM 735 N GLU A 48 -22.201 -42.596 -46.786 1.00100.00 N ATOM 736 CA GLU A 48 -21.879 -43.479 -47.875 1.00100.00 C ATOM 737 C GLU A 48 -22.320 -44.884 -47.582 1.00100.00 C ATOM 738 O GLU A 48 -22.937 -45.523 -48.433 1.00100.00 O ATOM 739 CB GLU A 48 -20.358 -43.597 -48.108 1.00100.00 C ATOM 740 CG GLU A 48 -19.770 -42.254 -48.534 1.00100.00 C ATOM 741 CD GLU A 48 -18.303 -42.404 -48.922 1.00100.00 C ATOM 742 OE1 GLU A 48 -17.535 -42.901 -48.070 1.00100.00 O ATOM 743 OE2 GLU A 48 -17.977 -42.020 -50.066 1.00100.00 O ATOM 0 H GLU A 48 -21.382 -42.156 -46.367 1.00100.00 H new ATOM 0 HA GLU A 48 -22.384 -43.049 -48.740 1.00100.00 H new ATOM 0 HB2 GLU A 48 -19.871 -43.939 -47.195 1.00100.00 H new ATOM 0 HB3 GLU A 48 -20.160 -44.346 -48.875 1.00100.00 H new ATOM 0 HG2 GLU A 48 -20.335 -41.855 -49.377 1.00100.00 H new ATOM 0 HG3 GLU A 48 -19.864 -41.536 -47.719 1.00100.00 H new ATOM 750 N LEU A 49 -22.015 -45.374 -46.355 1.00100.00 N ATOM 751 CA LEU A 49 -22.359 -46.704 -45.926 1.00100.00 C ATOM 752 C LEU A 49 -23.841 -46.898 -45.794 1.00100.00 C ATOM 753 O LEU A 49 -24.350 -47.949 -46.186 1.00100.00 O ATOM 754 CB LEU A 49 -21.620 -47.118 -44.642 1.00100.00 C ATOM 755 CG LEU A 49 -20.100 -47.018 -44.807 1.00100.00 C ATOM 756 CD1 LEU A 49 -19.433 -47.433 -43.497 1.00100.00 C ATOM 757 CD2 LEU A 49 -19.596 -47.927 -45.929 1.00100.00 C ATOM 0 H LEU A 49 -21.519 -44.833 -45.647 1.00100.00 H new ATOM 0 HA LEU A 49 -22.019 -47.371 -46.718 1.00100.00 H new ATOM 0 HB2 LEU A 49 -21.939 -46.481 -43.817 1.00100.00 H new ATOM 0 HB3 LEU A 49 -21.891 -48.141 -44.379 1.00100.00 H new ATOM 0 HG LEU A 49 -19.850 -45.988 -45.063 1.00100.00 H new ATOM 0 HD11 LEU A 49 -18.350 -47.366 -43.603 1.00100.00 H new ATOM 0 HD12 LEU A 49 -19.761 -46.771 -42.696 1.00100.00 H new ATOM 0 HD13 LEU A 49 -19.711 -48.459 -43.256 1.00100.00 H new ATOM 0 HD21 LEU A 49 -18.514 -47.830 -46.017 1.00100.00 H new ATOM 0 HD22 LEU A 49 -19.850 -48.962 -45.701 1.00100.00 H new ATOM 0 HD23 LEU A 49 -20.064 -47.638 -46.870 1.00100.00 H new ATOM 769 N LEU A 50 -24.558 -45.880 -45.249 1.00100.00 N ATOM 770 CA LEU A 50 -25.993 -45.914 -45.077 1.00100.00 C ATOM 771 C LEU A 50 -26.686 -46.004 -46.414 1.00100.00 C ATOM 772 O LEU A 50 -27.646 -46.762 -46.560 1.00100.00 O ATOM 773 CB LEU A 50 -26.528 -44.676 -44.317 1.00100.00 C ATOM 774 CG LEU A 50 -26.069 -44.679 -42.856 1.00100.00 C ATOM 775 CD1 LEU A 50 -26.362 -43.314 -42.237 1.00100.00 C ATOM 776 CD2 LEU A 50 -26.801 -45.759 -42.058 1.00100.00 C ATOM 0 H LEU A 50 -24.130 -45.014 -44.921 1.00100.00 H new ATOM 0 HA LEU A 50 -26.211 -46.800 -44.480 1.00100.00 H new ATOM 0 HB2 LEU A 50 -26.180 -43.767 -44.808 1.00100.00 H new ATOM 0 HB3 LEU A 50 -27.617 -44.664 -44.358 1.00100.00 H new ATOM 0 HG LEU A 50 -25.000 -44.888 -42.826 1.00100.00 H new ATOM 0 HD11 LEU A 50 -26.038 -43.309 -41.196 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.825 -42.542 -42.788 1.00100.00 H new ATOM 0 HD13 LEU A 50 -27.433 -43.115 -42.284 1.00100.00 H new ATOM 0 HD21 LEU A 50 -26.458 -45.742 -41.023 1.00100.00 H new ATOM 0 HD22 LEU A 50 -27.874 -45.569 -42.088 1.00100.00 H new ATOM 0 HD23 LEU A 50 -26.593 -46.737 -42.493 1.00100.00 H new ATOM 805 N ASP A 52 -27.302 -47.075 -50.238 1.00100.00 N ATOM 806 CA ASP A 52 -27.079 -48.305 -50.961 1.00100.00 C ATOM 807 C ASP A 52 -26.159 -48.019 -52.120 1.00100.00 C ATOM 808 O ASP A 52 -26.322 -47.026 -52.834 1.00100.00 O ATOM 809 CB ASP A 52 -28.388 -48.965 -51.472 1.00100.00 C ATOM 810 CG ASP A 52 -28.094 -50.288 -52.167 1.00100.00 C ATOM 811 OD1 ASP A 52 -27.713 -50.233 -53.357 1.00100.00 O ATOM 812 OD2 ASP A 52 -28.252 -51.330 -51.495 1.00100.00 O ATOM 0 HA ASP A 52 -26.631 -49.018 -50.269 1.00100.00 H new ATOM 0 HB2 ASP A 52 -29.066 -49.132 -50.635 1.00100.00 H new ATOM 0 HB3 ASP A 52 -28.894 -48.291 -52.163 1.00100.00 H new ATOM 817 N GLY A 53 -25.157 -48.902 -52.299 1.00100.00 N ATOM 818 CA GLY A 53 -24.184 -48.775 -53.351 1.00100.00 C ATOM 819 C GLY A 53 -23.077 -49.760 -53.110 1.00100.00 C ATOM 820 O GLY A 53 -23.227 -50.701 -52.325 1.00100.00 O ATOM 0 H GLY A 53 -25.017 -49.719 -51.705 1.00100.00 H new ATOM 0 HA2 GLY A 53 -24.649 -48.960 -54.319 1.00100.00 H new ATOM 0 HA3 GLY A 53 -23.787 -47.760 -53.377 1.00100.00 H new ATOM 824 N GLU A 54 -21.935 -49.558 -53.811 1.00100.00 N ATOM 825 CA GLU A 54 -20.775 -50.410 -53.689 1.00100.00 C ATOM 826 C GLU A 54 -20.126 -50.303 -52.344 1.00100.00 C ATOM 827 O GLU A 54 -20.263 -49.306 -51.632 1.00100.00 O ATOM 828 CB GLU A 54 -19.669 -50.238 -54.750 1.00100.00 C ATOM 829 CG GLU A 54 -20.184 -50.336 -56.186 1.00100.00 C ATOM 830 CD GLU A 54 -20.921 -49.077 -56.635 1.00100.00 C ATOM 831 OE1 GLU A 54 -20.748 -48.032 -55.971 1.00100.00 O ATOM 832 OE2 GLU A 54 -21.634 -49.179 -57.656 1.00100.00 O ATOM 0 H GLU A 54 -21.814 -48.792 -54.473 1.00100.00 H new ATOM 0 HA GLU A 54 -21.217 -51.393 -53.849 1.00100.00 H new ATOM 0 HB2 GLU A 54 -19.189 -49.270 -54.610 1.00100.00 H new ATOM 0 HB3 GLU A 54 -18.904 -50.999 -54.593 1.00100.00 H new ATOM 0 HG2 GLU A 54 -19.345 -50.519 -56.857 1.00100.00 H new ATOM 0 HG3 GLU A 54 -20.852 -51.193 -56.270 1.00100.00 H new ATOM 839 N ASP A 55 -19.446 -51.405 -51.958 1.00100.00 N ATOM 840 CA ASP A 55 -18.766 -51.543 -50.699 1.00100.00 C ATOM 841 C ASP A 55 -17.627 -50.587 -50.512 1.00100.00 C ATOM 842 O ASP A 55 -17.522 -49.975 -49.445 1.00100.00 O ATOM 843 CB ASP A 55 -18.218 -52.977 -50.484 1.00100.00 C ATOM 844 CG ASP A 55 -19.330 -54.011 -50.601 1.00100.00 C ATOM 845 OD1 ASP A 55 -20.398 -53.769 -49.997 1.00100.00 O ATOM 846 OD2 ASP A 55 -19.094 -55.023 -51.295 1.00100.00 O ATOM 0 H ASP A 55 -19.367 -52.234 -52.547 1.00100.00 H new ATOM 0 HA ASP A 55 -19.536 -51.313 -49.963 1.00100.00 H new ATOM 0 HB2 ASP A 55 -17.442 -53.188 -51.220 1.00100.00 H new ATOM 0 HB3 ASP A 55 -17.752 -53.048 -49.501 1.00100.00 H new ATOM 851 N ASP A 56 -16.790 -50.409 -51.565 1.00100.00 N ATOM 852 CA ASP A 56 -15.641 -49.549 -51.490 1.00100.00 C ATOM 853 C ASP A 56 -15.773 -48.387 -52.420 1.00100.00 C ATOM 854 O ASP A 56 -16.474 -48.443 -53.431 1.00100.00 O ATOM 855 CB ASP A 56 -14.310 -50.247 -51.852 1.00100.00 C ATOM 856 CG ASP A 56 -14.032 -51.406 -50.904 1.00100.00 C ATOM 857 OD1 ASP A 56 -14.118 -51.173 -49.680 1.00100.00 O ATOM 858 OD2 ASP A 56 -13.739 -52.506 -51.422 1.00100.00 O ATOM 0 H ASP A 56 -16.913 -50.864 -52.469 1.00100.00 H new ATOM 0 HA ASP A 56 -15.610 -49.236 -50.446 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.353 -50.613 -52.878 1.00100.00 H new ATOM 0 HB3 ASP A 56 -13.492 -49.528 -51.804 1.00100.00 H new ATOM 863 N VAL A 57 -15.092 -47.282 -52.044 1.00100.00 N ATOM 864 CA VAL A 57 -15.059 -46.024 -52.760 1.00100.00 C ATOM 865 C VAL A 57 -14.401 -46.224 -54.112 1.00100.00 C ATOM 866 O VAL A 57 -14.854 -45.680 -55.121 1.00100.00 O ATOM 867 CB VAL A 57 -14.329 -44.960 -51.934 1.00100.00 C ATOM 868 CG1 VAL A 57 -14.257 -43.645 -52.710 1.00100.00 C ATOM 869 CG2 VAL A 57 -15.075 -44.719 -50.620 1.00100.00 C ATOM 0 H VAL A 57 -14.531 -47.260 -51.193 1.00100.00 H new ATOM 0 HA VAL A 57 -16.078 -45.672 -52.923 1.00100.00 H new ATOM 0 HB VAL A 57 -13.320 -45.316 -51.727 1.00100.00 H new ATOM 0 HG11 VAL A 57 -13.736 -42.898 -52.112 1.00100.00 H new ATOM 0 HG12 VAL A 57 -13.718 -43.803 -53.644 1.00100.00 H new ATOM 0 HG13 VAL A 57 -15.266 -43.296 -52.928 1.00100.00 H new ATOM 0 HG21 VAL A 57 -14.551 -43.961 -50.038 1.00100.00 H new ATOM 0 HG22 VAL A 57 -16.087 -44.376 -50.834 1.00100.00 H new ATOM 0 HG23 VAL A 57 -15.119 -45.648 -50.051 1.00100.00 H new ATOM 879 N PHE A 58 -13.315 -47.026 -54.137 1.00100.00 N ATOM 880 CA PHE A 58 -12.527 -47.351 -55.298 1.00100.00 C ATOM 881 C PHE A 58 -13.251 -48.208 -56.298 1.00100.00 C ATOM 882 O PHE A 58 -12.955 -48.109 -57.488 1.00100.00 O ATOM 883 CB PHE A 58 -11.222 -48.100 -54.932 1.00100.00 C ATOM 884 CG PHE A 58 -10.340 -47.309 -53.997 1.00100.00 C ATOM 885 CD1 PHE A 58 -9.399 -46.409 -54.516 1.00100.00 C ATOM 886 CD2 PHE A 58 -10.474 -47.459 -52.610 1.00100.00 C ATOM 887 CE1 PHE A 58 -8.589 -45.665 -53.649 1.00100.00 C ATOM 888 CE2 PHE A 58 -9.666 -46.713 -51.742 1.00100.00 C ATOM 889 CZ PHE A 58 -8.722 -45.818 -52.262 1.00100.00 C ATOM 0 H PHE A 58 -12.964 -47.477 -53.292 1.00100.00 H new ATOM 0 HA PHE A 58 -12.309 -46.379 -55.740 1.00100.00 H new ATOM 0 HB2 PHE A 58 -11.473 -49.054 -54.468 1.00100.00 H new ATOM 0 HB3 PHE A 58 -10.669 -48.325 -55.844 1.00100.00 H new ATOM 0 HD1 PHE A 58 -9.299 -46.289 -55.585 1.00100.00 H new ATOM 0 HD2 PHE A 58 -11.201 -48.150 -52.210 1.00100.00 H new ATOM 0 HE1 PHE A 58 -7.862 -44.974 -54.049 1.00100.00 H new ATOM 0 HE2 PHE A 58 -9.771 -46.828 -50.673 1.00100.00 H new ATOM 0 HZ PHE A 58 -8.096 -45.245 -51.594 1.00100.00 H new ATOM 899 N ASP A 59 -14.231 -49.034 -55.840 1.00100.00 N ATOM 900 CA ASP A 59 -14.938 -49.957 -56.696 1.00100.00 C ATOM 901 C ASP A 59 -15.696 -49.358 -57.859 1.00100.00 C ATOM 902 O ASP A 59 -15.502 -49.877 -58.959 1.00100.00 O ATOM 903 CB ASP A 59 -15.916 -50.884 -55.924 1.00100.00 C ATOM 904 CG ASP A 59 -15.197 -51.841 -54.982 1.00100.00 C ATOM 905 OD1 ASP A 59 -13.967 -51.998 -55.145 1.00100.00 O ATOM 906 OD2 ASP A 59 -15.900 -52.406 -54.117 1.00100.00 O ATOM 0 H ASP A 59 -14.534 -49.060 -54.866 1.00100.00 H new ATOM 0 HA ASP A 59 -14.106 -50.526 -57.112 1.00100.00 H new ATOM 0 HB2 ASP A 59 -16.614 -50.273 -55.352 1.00100.00 H new ATOM 0 HB3 ASP A 59 -16.506 -51.458 -56.638 1.00100.00 H new