USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 514 hydrogens (14 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 NoAdj-H: A 45 PTR HN2 : A 45 PTR N : A 44 TRP C :(H bumps) USER MOD NoAdj-H: A 45 PTR H : A 45 PTR N : A 44 TRP C :(H bumps) USER MOD NoAdj-H: A 51 TPO H2 : A 51 TPO N : A 50 LEU C :(H bumps) USER MOD Set 1.1: A 14 CYS SG : rot 167:sc= 0.403! USER MOD Set 1.2: A 23 CYS SG : rot 92:sc= 0.0553! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot -160:sc= 0.394 USER MOD Set 2.2: A 33 ASN : amide:sc= 0.419 K(o=0.81,f=-0.51) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.14 K(o=-4.2,f=-4.8) USER MOD Set 3.2: A 26 CYS SG : rot -150:sc= -3.01! USER MOD Set 4.1: A 7 THR OG1 : rot -21:sc= 1.12 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= -0.198 (180deg=-0.954) USER MOD Set 5.2: A 9 MET CE :methyl -128:sc= -0.0627 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0486 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.0778 (180deg=-0.539) USER MOD Single : A 11 GLN : amide:sc= 0.127 K(o=0.13,f=-0.92) 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= 0.0491 (180deg=-0.0173) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.557 K(o=0.56,f=-4.4!) USER MOD Single : A 31 TYR OH : rot 65:sc= 0.501 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 Single : A 64 MET CE :methyl 166:sc= -0.0633 (180deg=-0.393) USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.0209 USER MOD Single : A 71 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.268 -46.104 -23.293 1.00100.00 N ATOM 2 CA GLY A 1 -26.834 -45.215 -22.264 1.00100.00 C ATOM 3 C GLY A 1 -28.021 -44.532 -22.844 1.00100.00 C ATOM 4 O GLY A 1 -27.919 -43.856 -23.868 1.00100.00 O ATOM 0 H1 GLY A 1 -25.276 -46.313 -23.063 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.811 -46.991 -23.323 1.00100.00 H new ATOM 0 H3 GLY A 1 -26.317 -45.637 -24.221 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.118 -45.788 -21.381 1.00100.00 H new ATOM 0 HA3 GLY A 1 -26.092 -44.483 -21.944 1.00100.00 H new ATOM 10 N SER A 2 -29.201 -44.921 -22.314 1.00100.00 N ATOM 11 CA SER A 2 -30.482 -44.385 -22.711 1.00100.00 C ATOM 12 C SER A 2 -30.539 -42.912 -22.405 1.00100.00 C ATOM 13 O SER A 2 -30.997 -42.118 -23.229 1.00100.00 O ATOM 14 CB SER A 2 -31.644 -45.127 -22.014 1.00100.00 C ATOM 15 OG SER A 2 -31.527 -45.010 -20.613 1.00100.00 O ATOM 0 H SER A 2 -29.270 -45.631 -21.585 1.00100.00 H new ATOM 0 HA SER A 2 -30.594 -44.532 -23.785 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.598 -44.714 -22.342 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.637 -46.179 -22.300 1.00100.00 H new ATOM 0 HG SER A 2 -32.270 -45.483 -20.182 1.00100.00 H new ATOM 21 N THR A 3 -30.050 -42.533 -21.202 1.00100.00 N ATOM 22 CA THR A 3 -29.988 -41.172 -20.747 1.00100.00 C ATOM 23 C THR A 3 -28.734 -40.538 -21.312 1.00100.00 C ATOM 24 O THR A 3 -27.862 -41.231 -21.850 1.00100.00 O ATOM 25 CB THR A 3 -30.087 -41.053 -19.229 1.00100.00 C ATOM 26 OG1 THR A 3 -30.207 -39.698 -18.857 1.00100.00 O ATOM 27 CG2 THR A 3 -28.845 -41.649 -18.569 1.00100.00 C ATOM 0 H THR A 3 -29.685 -43.200 -20.522 1.00100.00 H new ATOM 0 HA THR A 3 -30.857 -40.627 -21.115 1.00100.00 H new ATOM 0 HB THR A 3 -30.969 -41.601 -18.897 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.272 -39.631 -17.881 1.00100.00 H new ATOM 0 HG21 THR A 3 -28.929 -41.557 -17.486 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.759 -42.702 -18.839 1.00100.00 H new ATOM 0 HG23 THR A 3 -27.959 -41.114 -18.911 1.00100.00 H new ATOM 35 N ALA A 4 -28.633 -39.191 -21.217 1.00100.00 N ATOM 36 CA ALA A 4 -27.482 -38.502 -21.729 1.00100.00 C ATOM 37 C ALA A 4 -26.420 -38.581 -20.682 1.00100.00 C ATOM 38 O ALA A 4 -26.554 -38.044 -19.578 1.00100.00 O ATOM 39 CB ALA A 4 -27.730 -37.018 -22.065 1.00100.00 C ATOM 0 H ALA A 4 -29.338 -38.589 -20.792 1.00100.00 H new ATOM 0 HA ALA A 4 -27.201 -38.982 -22.667 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.811 -36.572 -22.445 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.510 -36.942 -22.822 1.00100.00 H new ATOM 0 HB3 ALA A 4 -28.044 -36.489 -21.165 1.00100.00 H new ATOM 45 N MET A 5 -25.337 -39.303 -21.034 1.00100.00 N ATOM 46 CA MET A 5 -24.219 -39.486 -20.161 1.00100.00 C ATOM 47 C MET A 5 -23.212 -38.551 -20.745 1.00100.00 C ATOM 48 O MET A 5 -22.724 -38.776 -21.854 1.00100.00 O ATOM 49 CB MET A 5 -23.630 -40.916 -20.222 1.00100.00 C ATOM 50 CG MET A 5 -24.667 -41.940 -19.764 1.00100.00 C ATOM 51 SD MET A 5 -25.275 -41.692 -18.076 1.00100.00 S ATOM 52 CE MET A 5 -23.713 -41.838 -17.171 1.00100.00 C ATOM 0 H MET A 5 -25.238 -39.765 -21.938 1.00100.00 H new ATOM 0 HA MET A 5 -24.492 -39.316 -19.120 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.312 -41.142 -21.240 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.744 -40.978 -19.590 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.514 -41.912 -20.449 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.231 -42.937 -19.837 1.00100.00 H new ATOM 0 HE1 MET A 5 -23.919 -42.014 -16.115 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.137 -42.672 -17.572 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.142 -40.916 -17.281 1.00100.00 H new ATOM 62 N ALA A 6 -22.968 -37.426 -20.028 1.00100.00 N ATOM 63 CA ALA A 6 -22.057 -36.372 -20.415 1.00100.00 C ATOM 64 C ALA A 6 -22.321 -35.881 -21.819 1.00100.00 C ATOM 65 O ALA A 6 -21.409 -35.752 -22.642 1.00100.00 O ATOM 66 CB ALA A 6 -20.556 -36.691 -20.205 1.00100.00 C ATOM 0 H ALA A 6 -23.427 -37.242 -19.136 1.00100.00 H new ATOM 0 HA ALA A 6 -22.275 -35.563 -19.717 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.955 -35.840 -20.525 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.371 -36.890 -19.150 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.285 -37.568 -20.793 1.00100.00 H new ATOM 72 N THR A 7 -23.624 -35.640 -22.106 1.00100.00 N ATOM 73 CA THR A 7 -24.191 -35.165 -23.348 1.00100.00 C ATOM 74 C THR A 7 -24.192 -36.153 -24.480 1.00100.00 C ATOM 75 O THR A 7 -25.265 -36.413 -25.031 1.00100.00 O ATOM 76 CB THR A 7 -23.750 -33.786 -23.843 1.00100.00 C ATOM 77 OG1 THR A 7 -22.392 -33.801 -24.223 1.00100.00 O ATOM 78 CG2 THR A 7 -23.956 -32.747 -22.742 1.00100.00 C ATOM 0 H THR A 7 -24.347 -35.792 -21.403 1.00100.00 H new ATOM 0 HA THR A 7 -25.222 -35.036 -23.018 1.00100.00 H new ATOM 0 HB THR A 7 -24.355 -33.526 -24.711 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.940 -34.555 -23.790 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.640 -31.768 -23.102 1.00100.00 H new ATOM 0 HG22 THR A 7 -25.011 -32.710 -22.469 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.365 -33.021 -21.868 1.00100.00 H new ATOM 86 N THR A 8 -23.024 -36.747 -24.834 1.00100.00 N ATOM 87 CA THR A 8 -22.975 -37.673 -25.940 1.00100.00 C ATOM 88 C THR A 8 -22.562 -39.038 -25.443 1.00100.00 C ATOM 89 O THR A 8 -21.698 -39.175 -24.575 1.00100.00 O ATOM 90 CB THR A 8 -22.033 -37.204 -27.028 1.00100.00 C ATOM 91 OG1 THR A 8 -22.412 -35.906 -27.434 1.00100.00 O ATOM 92 CG2 THR A 8 -22.103 -38.136 -28.236 1.00100.00 C ATOM 0 H THR A 8 -22.132 -36.590 -24.365 1.00100.00 H new ATOM 0 HA THR A 8 -23.973 -37.728 -26.376 1.00100.00 H new ATOM 0 HB THR A 8 -21.015 -37.203 -26.637 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.806 -35.593 -28.138 1.00100.00 H new ATOM 0 HG21 THR A 8 -21.419 -37.783 -29.008 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.820 -39.145 -27.934 1.00100.00 H new ATOM 0 HG23 THR A 8 -23.120 -38.146 -28.629 1.00100.00 H new ATOM 100 N MET A 9 -23.214 -40.077 -26.014 1.00100.00 N ATOM 101 CA MET A 9 -23.000 -41.464 -25.693 1.00100.00 C ATOM 102 C MET A 9 -22.171 -42.187 -26.735 1.00100.00 C ATOM 103 O MET A 9 -21.862 -41.642 -27.797 1.00100.00 O ATOM 104 CB MET A 9 -24.352 -42.200 -25.459 1.00100.00 C ATOM 105 CG MET A 9 -24.162 -43.575 -24.819 1.00100.00 C ATOM 106 SD MET A 9 -23.360 -43.526 -23.197 1.00100.00 S ATOM 107 CE MET A 9 -22.878 -45.265 -23.074 1.00100.00 C ATOM 0 H MET A 9 -23.924 -39.943 -26.734 1.00100.00 H new ATOM 0 HA MET A 9 -22.427 -41.481 -24.766 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.989 -41.589 -24.820 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.871 -42.314 -26.411 1.00100.00 H new ATOM 0 HG2 MET A 9 -25.135 -44.055 -24.718 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.568 -44.197 -25.488 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.231 -45.674 -22.127 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.320 -45.824 -23.899 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.792 -45.346 -23.122 1.00100.00 H new ATOM 117 N GLU A 10 -21.511 -43.270 -26.246 1.00100.00 N ATOM 118 CA GLU A 10 -20.644 -44.217 -26.920 1.00100.00 C ATOM 119 C GLU A 10 -19.252 -43.752 -27.197 1.00100.00 C ATOM 120 O GLU A 10 -18.415 -44.543 -27.635 1.00100.00 O ATOM 121 CB GLU A 10 -21.243 -44.842 -28.206 1.00100.00 C ATOM 122 CG GLU A 10 -22.579 -45.514 -27.898 1.00100.00 C ATOM 123 CD GLU A 10 -23.144 -46.180 -29.145 1.00100.00 C ATOM 124 OE1 GLU A 10 -23.782 -45.453 -29.935 1.00100.00 O ATOM 125 OE2 GLU A 10 -22.926 -47.403 -29.285 1.00100.00 O ATOM 0 H GLU A 10 -21.597 -43.508 -25.258 1.00100.00 H new ATOM 0 HA GLU A 10 -20.572 -44.994 -26.159 1.00100.00 H new ATOM 0 HB2 GLU A 10 -21.383 -44.070 -28.962 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.548 -45.572 -28.621 1.00100.00 H new ATOM 0 HG2 GLU A 10 -22.446 -46.257 -27.111 1.00100.00 H new ATOM 0 HG3 GLU A 10 -23.286 -44.775 -27.522 1.00100.00 H new ATOM 132 N GLN A 11 -18.958 -42.473 -26.894 1.00100.00 N ATOM 133 CA GLN A 11 -17.646 -41.942 -27.083 1.00100.00 C ATOM 134 C GLN A 11 -16.832 -41.969 -25.802 1.00100.00 C ATOM 135 O GLN A 11 -15.699 -41.499 -25.780 1.00100.00 O ATOM 136 CB GLN A 11 -17.673 -40.642 -27.924 1.00100.00 C ATOM 137 CG GLN A 11 -18.512 -39.525 -27.317 1.00100.00 C ATOM 138 CD GLN A 11 -18.534 -38.331 -28.266 1.00100.00 C ATOM 139 OE1 GLN A 11 -19.119 -38.412 -29.342 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.887 -37.230 -27.878 1.00100.00 N ATOM 0 H GLN A 11 -19.632 -41.807 -26.517 1.00100.00 H new ATOM 0 HA GLN A 11 -17.058 -42.603 -27.720 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.651 -40.285 -28.054 1.00100.00 H new ATOM 0 HB3 GLN A 11 -18.059 -40.873 -28.917 1.00100.00 H new ATOM 0 HG2 GLN A 11 -19.527 -39.877 -27.135 1.00100.00 H new ATOM 0 HG3 GLN A 11 -18.099 -39.229 -26.353 1.00100.00 H new ATOM 0 HE21 GLN A 11 -17.414 -37.208 -26.974 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.865 -36.411 -28.485 1.00100.00 H new ATOM 149 N GLU A 12 -17.406 -42.555 -24.713 1.00100.00 N ATOM 150 CA GLU A 12 -16.845 -42.768 -23.386 1.00100.00 C ATOM 151 C GLU A 12 -16.584 -41.537 -22.562 1.00100.00 C ATOM 152 O GLU A 12 -16.748 -40.439 -23.079 1.00100.00 O ATOM 153 CB GLU A 12 -15.720 -43.812 -23.312 1.00100.00 C ATOM 154 CG GLU A 12 -16.220 -45.179 -23.770 1.00100.00 C ATOM 155 CD GLU A 12 -15.171 -46.265 -23.556 1.00100.00 C ATOM 156 OE1 GLU A 12 -14.073 -45.922 -23.066 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.490 -47.428 -23.884 1.00100.00 O ATOM 0 H GLU A 12 -18.359 -42.916 -24.768 1.00100.00 H new ATOM 0 HA GLU A 12 -17.689 -43.231 -22.875 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.884 -43.497 -23.937 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.347 -43.880 -22.290 1.00100.00 H new ATOM 0 HG2 GLU A 12 -17.127 -45.437 -23.223 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.487 -45.134 -24.826 1.00100.00 H new ATOM 164 N ILE A 13 -16.254 -41.661 -21.237 1.00100.00 N ATOM 165 CA ILE A 13 -16.028 -40.481 -20.410 1.00100.00 C ATOM 166 C ILE A 13 -14.901 -40.752 -19.417 1.00100.00 C ATOM 167 O ILE A 13 -14.965 -41.750 -18.693 1.00100.00 O ATOM 168 CB ILE A 13 -17.238 -40.203 -19.500 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.512 -40.053 -20.341 1.00100.00 C ATOM 170 CG2 ILE A 13 -16.988 -38.914 -18.707 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.764 -39.978 -19.466 1.00100.00 C ATOM 0 H ILE A 13 -16.146 -42.551 -20.751 1.00100.00 H new ATOM 0 HA ILE A 13 -15.822 -39.660 -21.097 1.00100.00 H new ATOM 0 HB ILE A 13 -17.369 -41.039 -18.813 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.441 -39.153 -20.952 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.597 -40.897 -21.026 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.842 -38.713 -18.061 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.092 -39.030 -18.098 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.852 -38.082 -19.398 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.645 -39.872 -20.099 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.850 -40.890 -18.875 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.691 -39.119 -18.799 1.00100.00 H new ATOM 183 N CYS A 14 -13.854 -39.879 -19.356 1.00100.00 N ATOM 184 CA CYS A 14 -12.771 -40.001 -18.392 1.00100.00 C ATOM 185 C CYS A 14 -12.633 -38.672 -17.649 1.00100.00 C ATOM 186 O CYS A 14 -13.583 -38.267 -16.978 1.00100.00 O ATOM 187 CB CYS A 14 -11.413 -40.490 -18.942 1.00100.00 C ATOM 188 SG CYS A 14 -10.210 -40.522 -17.582 1.00100.00 S ATOM 0 H CYS A 14 -13.757 -39.080 -19.982 1.00100.00 H new ATOM 0 HA CYS A 14 -13.056 -40.808 -17.717 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.518 -41.484 -19.377 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.067 -39.829 -19.737 1.00100.00 H new ATOM 0 HG CYS A 14 -9.155 -41.185 -17.952 1.00100.00 H new ATOM 194 N ALA A 15 -11.473 -37.949 -17.763 1.00100.00 N ATOM 195 CA ALA A 15 -11.227 -36.683 -17.119 1.00100.00 C ATOM 196 C ALA A 15 -11.488 -35.450 -17.963 1.00100.00 C ATOM 197 O ALA A 15 -12.463 -34.770 -17.661 1.00100.00 O ATOM 198 CB ALA A 15 -9.799 -36.578 -16.563 1.00100.00 C ATOM 0 H ALA A 15 -10.685 -38.268 -18.327 1.00100.00 H new ATOM 0 HA ALA A 15 -11.963 -36.687 -16.315 1.00100.00 H new ATOM 0 HB1 ALA A 15 -9.664 -35.606 -16.088 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.636 -37.367 -15.829 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.083 -36.686 -17.377 1.00100.00 H new ATOM 204 N HIS A 16 -10.675 -35.090 -19.014 1.00100.00 N ATOM 205 CA HIS A 16 -11.004 -33.902 -19.799 1.00100.00 C ATOM 206 C HIS A 16 -10.826 -33.804 -21.306 1.00100.00 C ATOM 207 O HIS A 16 -9.772 -33.435 -21.820 1.00100.00 O ATOM 208 CB HIS A 16 -10.538 -32.545 -19.189 1.00100.00 C ATOM 209 CG HIS A 16 -9.057 -32.384 -19.001 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.351 -32.703 -17.864 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.196 -31.762 -19.866 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.087 -32.281 -18.050 1.00100.00 C ATOM 213 NE2 HIS A 16 -6.943 -31.702 -19.253 1.00100.00 N ATOM 0 H HIS A 16 -9.836 -35.591 -19.306 1.00100.00 H new ATOM 0 HA HIS A 16 -12.070 -34.105 -19.695 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.893 -31.739 -19.832 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.023 -32.418 -18.221 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.443 -31.385 -20.848 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.293 -32.393 -17.327 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.090 -31.299 -19.641 1.00100.00 H new ATOM 221 N SER A 17 -11.909 -34.114 -22.046 1.00100.00 N ATOM 222 CA SER A 17 -12.037 -34.035 -23.481 1.00100.00 C ATOM 223 C SER A 17 -11.030 -34.651 -24.438 1.00100.00 C ATOM 224 O SER A 17 -10.546 -33.954 -25.336 1.00100.00 O ATOM 225 CB SER A 17 -12.383 -32.576 -23.876 1.00100.00 C ATOM 226 OG SER A 17 -13.581 -32.181 -23.246 1.00100.00 O ATOM 0 H SER A 17 -12.768 -34.448 -21.608 1.00100.00 H new ATOM 0 HA SER A 17 -12.834 -34.760 -23.647 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.572 -31.909 -23.585 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.488 -32.498 -24.958 1.00100.00 H new ATOM 0 HG SER A 17 -13.963 -31.414 -23.721 1.00100.00 H new ATOM 232 N MET A 18 -10.675 -35.958 -24.287 1.00100.00 N ATOM 233 CA MET A 18 -9.731 -36.558 -25.214 1.00100.00 C ATOM 234 C MET A 18 -10.016 -37.863 -25.912 1.00100.00 C ATOM 235 O MET A 18 -10.877 -37.879 -26.780 1.00100.00 O ATOM 236 CB MET A 18 -8.233 -36.501 -24.831 1.00100.00 C ATOM 237 CG MET A 18 -7.543 -35.201 -25.247 1.00100.00 C ATOM 238 SD MET A 18 -7.907 -33.739 -24.248 1.00100.00 S ATOM 239 CE MET A 18 -6.920 -32.531 -25.166 1.00100.00 C ATOM 0 H MET A 18 -11.024 -36.578 -23.556 1.00100.00 H new ATOM 0 HA MET A 18 -9.963 -35.811 -25.973 1.00100.00 H new ATOM 0 HB2 MET A 18 -8.138 -36.624 -23.752 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.716 -37.341 -25.294 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.466 -35.366 -25.230 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.816 -34.985 -26.280 1.00100.00 H new ATOM 0 HE1 MET A 18 -7.016 -31.552 -24.697 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.874 -32.836 -25.159 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.276 -32.477 -26.195 1.00100.00 H new ATOM 249 N THR A 19 -9.248 -38.955 -25.644 1.00100.00 N ATOM 250 CA THR A 19 -9.390 -40.225 -26.323 1.00100.00 C ATOM 251 C THR A 19 -9.198 -41.358 -25.347 1.00100.00 C ATOM 252 O THR A 19 -8.658 -41.173 -24.255 1.00100.00 O ATOM 253 CB THR A 19 -8.346 -40.364 -27.445 1.00100.00 C ATOM 254 OG1 THR A 19 -8.353 -39.185 -28.219 1.00100.00 O ATOM 255 CG2 THR A 19 -8.610 -41.547 -28.376 1.00100.00 C ATOM 0 H THR A 19 -8.511 -38.953 -24.938 1.00100.00 H new ATOM 0 HA THR A 19 -10.391 -40.265 -26.752 1.00100.00 H new ATOM 0 HB THR A 19 -7.384 -40.535 -26.963 1.00100.00 H new ATOM 0 HG1 THR A 19 -7.690 -39.261 -28.937 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.837 -41.586 -29.143 1.00100.00 H new ATOM 0 HG22 THR A 19 -8.597 -42.473 -27.801 1.00100.00 H new ATOM 0 HG23 THR A 19 -9.585 -41.427 -28.849 1.00100.00 H new ATOM 263 N PHE A 20 -9.633 -42.582 -25.730 1.00100.00 N ATOM 264 CA PHE A 20 -9.524 -43.786 -24.939 1.00100.00 C ATOM 265 C PHE A 20 -8.069 -44.061 -24.627 1.00100.00 C ATOM 266 O PHE A 20 -7.721 -44.333 -23.477 1.00100.00 O ATOM 267 CB PHE A 20 -10.099 -44.974 -25.760 1.00100.00 C ATOM 268 CG PHE A 20 -10.013 -46.308 -25.056 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.877 -47.115 -25.217 1.00100.00 C ATOM 270 CD2 PHE A 20 -11.069 -46.743 -24.247 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.805 -48.357 -24.571 1.00100.00 C ATOM 272 CE2 PHE A 20 -10.998 -47.983 -23.602 1.00100.00 C ATOM 273 CZ PHE A 20 -9.867 -48.792 -23.765 1.00100.00 C ATOM 0 H PHE A 20 -10.081 -42.741 -26.632 1.00100.00 H new ATOM 0 HA PHE A 20 -10.077 -43.665 -24.007 1.00100.00 H new ATOM 0 HB2 PHE A 20 -11.143 -44.767 -25.997 1.00100.00 H new ATOM 0 HB3 PHE A 20 -9.564 -45.040 -26.707 1.00100.00 H new ATOM 0 HD1 PHE A 20 -8.059 -46.780 -25.838 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.942 -46.120 -24.120 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.931 -48.979 -24.694 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.815 -48.316 -22.979 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.812 -49.750 -23.270 1.00100.00 H new ATOM 283 N GLU A 21 -7.197 -43.963 -25.653 1.00100.00 N ATOM 284 CA GLU A 21 -5.778 -44.172 -25.532 1.00100.00 C ATOM 285 C GLU A 21 -5.167 -43.121 -24.655 1.00100.00 C ATOM 286 O GLU A 21 -4.267 -43.399 -23.864 1.00100.00 O ATOM 287 CB GLU A 21 -5.062 -44.143 -26.892 1.00100.00 C ATOM 288 CG GLU A 21 -5.645 -45.210 -27.818 1.00100.00 C ATOM 289 CD GLU A 21 -4.945 -45.191 -29.168 1.00100.00 C ATOM 290 OE1 GLU A 21 -5.146 -44.195 -29.898 1.00100.00 O ATOM 291 OE2 GLU A 21 -4.219 -46.170 -29.448 1.00100.00 O ATOM 0 H GLU A 21 -7.489 -43.730 -26.602 1.00100.00 H new ATOM 0 HA GLU A 21 -5.649 -45.161 -25.093 1.00100.00 H new ATOM 0 HB2 GLU A 21 -5.169 -43.158 -27.347 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.995 -44.315 -26.753 1.00100.00 H new ATOM 0 HG2 GLU A 21 -5.537 -46.194 -27.361 1.00100.00 H new ATOM 0 HG3 GLU A 21 -6.713 -45.037 -27.954 1.00100.00 H new ATOM 298 N GLU A 22 -5.661 -41.876 -24.809 1.00100.00 N ATOM 299 CA GLU A 22 -5.237 -40.717 -24.079 1.00100.00 C ATOM 300 C GLU A 22 -5.675 -40.701 -22.643 1.00100.00 C ATOM 301 O GLU A 22 -5.042 -40.018 -21.838 1.00100.00 O ATOM 302 CB GLU A 22 -5.722 -39.422 -24.759 1.00100.00 C ATOM 303 CG GLU A 22 -5.134 -39.265 -26.160 1.00100.00 C ATOM 304 CD GLU A 22 -3.635 -39.020 -26.094 1.00100.00 C ATOM 305 OE1 GLU A 22 -3.259 -37.978 -25.516 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.895 -39.876 -26.623 1.00100.00 O ATOM 0 H GLU A 22 -6.399 -41.667 -25.482 1.00100.00 H new ATOM 0 HA GLU A 22 -4.148 -40.769 -24.086 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.810 -39.428 -24.820 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.442 -38.564 -24.149 1.00100.00 H new ATOM 0 HG2 GLU A 22 -5.335 -40.162 -26.746 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.620 -38.435 -26.672 1.00100.00 H new ATOM 313 N CYS A 23 -6.676 -41.535 -22.252 1.00100.00 N ATOM 314 CA CYS A 23 -7.225 -41.550 -20.915 1.00100.00 C ATOM 315 C CYS A 23 -6.230 -41.725 -19.793 1.00100.00 C ATOM 316 O CYS A 23 -6.372 -40.960 -18.839 1.00100.00 O ATOM 317 CB CYS A 23 -8.289 -42.635 -20.748 1.00100.00 C ATOM 318 SG CYS A 23 -8.805 -42.854 -19.031 1.00100.00 S ATOM 0 H CYS A 23 -7.112 -42.212 -22.879 1.00100.00 H new ATOM 0 HA CYS A 23 -7.646 -40.549 -20.826 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.159 -42.380 -21.354 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.901 -43.580 -21.129 1.00100.00 H new ATOM 0 HG CYS A 23 -9.830 -42.093 -18.786 1.00100.00 H new ATOM 324 N PRO A 24 -5.214 -42.653 -19.807 1.00100.00 N ATOM 325 CA PRO A 24 -4.265 -42.743 -18.719 1.00100.00 C ATOM 326 C PRO A 24 -3.467 -41.478 -18.531 1.00100.00 C ATOM 327 O PRO A 24 -3.055 -41.231 -17.396 1.00100.00 O ATOM 328 CB PRO A 24 -3.396 -43.973 -18.991 1.00100.00 C ATOM 329 CG PRO A 24 -3.520 -44.127 -20.510 1.00100.00 C ATOM 330 CD PRO A 24 -4.940 -43.649 -20.813 1.00100.00 C ATOM 0 HA PRO A 24 -4.786 -42.858 -17.768 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.363 -43.818 -18.680 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.760 -44.854 -18.461 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.776 -43.527 -21.034 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.372 -45.161 -20.820 1.00100.00 H new ATOM 0 HD2 PRO A 24 -5.011 -43.228 -21.816 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.654 -44.471 -20.761 1.00100.00 H new ATOM 338 N LYS A 25 -3.230 -40.692 -19.621 1.00100.00 N ATOM 339 CA LYS A 25 -2.505 -39.448 -19.542 1.00100.00 C ATOM 340 C LYS A 25 -3.255 -38.495 -18.680 1.00100.00 C ATOM 341 O LYS A 25 -2.642 -37.864 -17.813 1.00100.00 O ATOM 342 CB LYS A 25 -2.262 -38.727 -20.879 1.00100.00 C ATOM 343 CG LYS A 25 -1.474 -39.643 -21.812 1.00100.00 C ATOM 344 CD LYS A 25 -1.131 -38.888 -23.094 1.00100.00 C ATOM 345 CE LYS A 25 -0.355 -39.793 -24.048 1.00100.00 C ATOM 346 NZ LYS A 25 -1.162 -40.951 -24.461 1.00100.00 N ATOM 0 H LYS A 25 -3.546 -40.927 -20.562 1.00100.00 H new ATOM 0 HA LYS A 25 -1.530 -39.731 -19.146 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.213 -38.455 -21.336 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.712 -37.801 -20.711 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.562 -39.982 -21.321 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.059 -40.532 -22.046 1.00100.00 H new ATOM 0 HD2 LYS A 25 -2.045 -38.539 -23.575 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.538 -38.004 -22.857 1.00100.00 H new ATOM 0 HE2 LYS A 25 -0.054 -39.224 -24.928 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.558 -40.138 -23.563 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.704 -41.424 -25.266 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.243 -41.619 -23.668 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -2.111 -40.631 -24.742 1.00100.00 H new ATOM 360 N CYS A 26 -4.593 -38.395 -18.890 1.00100.00 N ATOM 361 CA CYS A 26 -5.308 -37.517 -18.032 1.00100.00 C ATOM 362 C CYS A 26 -6.329 -38.149 -17.181 1.00100.00 C ATOM 363 O CYS A 26 -7.430 -38.522 -17.582 1.00100.00 O ATOM 364 CB CYS A 26 -5.782 -36.183 -18.587 1.00100.00 C ATOM 365 SG CYS A 26 -6.736 -35.302 -17.332 1.00100.00 S ATOM 0 H CYS A 26 -5.135 -38.886 -19.601 1.00100.00 H new ATOM 0 HA CYS A 26 -4.477 -37.235 -17.385 1.00100.00 H new ATOM 0 HB2 CYS A 26 -4.926 -35.582 -18.895 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.394 -36.345 -19.475 1.00100.00 H new ATOM 0 HG CYS A 26 -7.626 -34.551 -17.911 1.00100.00 H new ATOM 371 N SER A 27 -5.839 -38.285 -15.949 1.00100.00 N ATOM 372 CA SER A 27 -6.464 -38.731 -14.745 1.00100.00 C ATOM 373 C SER A 27 -6.021 -37.590 -13.822 1.00100.00 C ATOM 374 O SER A 27 -5.878 -37.756 -12.609 1.00100.00 O ATOM 375 CB SER A 27 -5.861 -40.069 -14.262 1.00100.00 C ATOM 376 OG SER A 27 -6.087 -41.063 -15.239 1.00100.00 O ATOM 0 H SER A 27 -4.863 -38.048 -15.771 1.00100.00 H new ATOM 0 HA SER A 27 -7.536 -38.914 -14.814 1.00100.00 H new ATOM 0 HB2 SER A 27 -4.792 -39.955 -14.083 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.313 -40.364 -13.315 1.00100.00 H new ATOM 0 HG SER A 27 -5.704 -41.913 -14.936 1.00100.00 H new ATOM 382 N ALA A 28 -5.822 -36.382 -14.421 1.00100.00 N ATOM 383 CA ALA A 28 -5.353 -35.170 -13.843 1.00100.00 C ATOM 384 C ALA A 28 -6.354 -34.516 -12.961 1.00100.00 C ATOM 385 O ALA A 28 -7.541 -34.838 -12.973 1.00100.00 O ATOM 386 CB ALA A 28 -4.866 -34.150 -14.895 1.00100.00 C ATOM 0 H ALA A 28 -6.016 -36.263 -15.415 1.00100.00 H new ATOM 0 HA ALA A 28 -4.503 -35.477 -13.233 1.00100.00 H new ATOM 0 HB1 ALA A 28 -4.521 -33.246 -14.393 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.046 -34.582 -15.469 1.00100.00 H new ATOM 0 HB3 ALA A 28 -5.687 -33.900 -15.567 1.00100.00 H new ATOM 392 N LEU A 29 -5.845 -33.518 -12.216 1.00100.00 N ATOM 393 CA LEU A 29 -6.536 -32.746 -11.235 1.00100.00 C ATOM 394 C LEU A 29 -7.742 -32.040 -11.764 1.00100.00 C ATOM 395 O LEU A 29 -8.730 -31.958 -11.032 1.00100.00 O ATOM 396 CB LEU A 29 -5.630 -31.653 -10.634 1.00100.00 C ATOM 397 CG LEU A 29 -4.366 -32.250 -10.006 1.00100.00 C ATOM 398 CD1 LEU A 29 -3.493 -31.114 -9.478 1.00100.00 C ATOM 399 CD2 LEU A 29 -4.719 -33.188 -8.852 1.00100.00 C ATOM 0 H LEU A 29 -4.871 -33.231 -12.310 1.00100.00 H new ATOM 0 HA LEU A 29 -6.839 -33.480 -10.488 1.00100.00 H new ATOM 0 HB2 LEU A 29 -5.350 -30.943 -11.412 1.00100.00 H new ATOM 0 HB3 LEU A 29 -6.184 -31.095 -9.879 1.00100.00 H new ATOM 0 HG LEU A 29 -3.834 -32.822 -10.766 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.590 -31.528 -9.029 1.00100.00 H new ATOM 0 HD12 LEU A 29 -3.219 -30.453 -10.300 1.00100.00 H new ATOM 0 HD13 LEU A 29 -4.046 -30.549 -8.727 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.804 -33.598 -8.424 1.00100.00 H new ATOM 0 HD22 LEU A 29 -5.262 -32.634 -8.086 1.00100.00 H new ATOM 0 HD23 LEU A 29 -5.343 -34.001 -9.222 1.00100.00 H new ATOM 411 N GLN A 30 -7.734 -31.564 -13.032 1.00100.00 N ATOM 412 CA GLN A 30 -8.862 -30.843 -13.573 1.00100.00 C ATOM 413 C GLN A 30 -10.167 -31.605 -13.649 1.00100.00 C ATOM 414 O GLN A 30 -11.166 -31.090 -13.146 1.00100.00 O ATOM 415 CB GLN A 30 -8.555 -30.315 -14.987 1.00100.00 C ATOM 416 CG GLN A 30 -7.261 -29.504 -15.014 1.00100.00 C ATOM 417 CD GLN A 30 -6.933 -29.074 -16.438 1.00100.00 C ATOM 418 OE1 GLN A 30 -7.764 -28.475 -17.116 1.00100.00 O ATOM 419 NE2 GLN A 30 -5.718 -29.388 -16.895 1.00100.00 N ATOM 0 H GLN A 30 -6.954 -31.676 -13.679 1.00100.00 H new ATOM 0 HA GLN A 30 -9.006 -30.040 -12.851 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.475 -31.153 -15.680 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.382 -29.694 -15.332 1.00100.00 H new ATOM 0 HG2 GLN A 30 -7.361 -28.626 -14.376 1.00100.00 H new ATOM 0 HG3 GLN A 30 -6.443 -30.100 -14.610 1.00100.00 H new ATOM 0 HE21 GLN A 30 -5.061 -29.886 -16.295 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.447 -29.129 -17.844 1.00100.00 H new ATOM 428 N TYR A 31 -10.187 -32.843 -14.229 1.00100.00 N ATOM 429 CA TYR A 31 -11.366 -33.699 -14.380 1.00100.00 C ATOM 430 C TYR A 31 -12.561 -32.954 -14.982 1.00100.00 C ATOM 431 O TYR A 31 -13.711 -33.194 -14.603 1.00100.00 O ATOM 432 CB TYR A 31 -11.865 -34.415 -13.079 1.00100.00 C ATOM 433 CG TYR A 31 -10.822 -35.287 -12.423 1.00100.00 C ATOM 434 CD1 TYR A 31 -10.479 -36.519 -12.998 1.00100.00 C ATOM 435 CD2 TYR A 31 -10.216 -34.874 -11.228 1.00100.00 C ATOM 436 CE1 TYR A 31 -9.535 -37.346 -12.376 1.00100.00 C ATOM 437 CE2 TYR A 31 -9.272 -35.695 -10.598 1.00100.00 C ATOM 438 CZ TYR A 31 -8.930 -36.938 -11.169 1.00100.00 C ATOM 439 OH TYR A 31 -8.019 -37.744 -10.553 1.00100.00 O ATOM 0 H TYR A 31 -9.344 -33.271 -14.612 1.00100.00 H new ATOM 0 HA TYR A 31 -10.997 -34.469 -15.058 1.00100.00 H new ATOM 0 HB2 TYR A 31 -12.195 -33.661 -12.365 1.00100.00 H new ATOM 0 HB3 TYR A 31 -12.734 -35.026 -13.323 1.00100.00 H new ATOM 0 HD1 TYR A 31 -10.943 -36.831 -13.922 1.00100.00 H new ATOM 0 HD2 TYR A 31 -10.478 -33.921 -10.792 1.00100.00 H new ATOM 0 HE1 TYR A 31 -9.271 -38.294 -12.820 1.00100.00 H new ATOM 0 HE2 TYR A 31 -8.807 -35.377 -9.677 1.00100.00 H new ATOM 0 HH TYR A 31 -7.225 -37.834 -11.121 1.00100.00 H new ATOM 449 N ARG A 32 -12.322 -32.062 -15.974 1.00100.00 N ATOM 450 CA ARG A 32 -13.369 -31.237 -16.543 1.00100.00 C ATOM 451 C ARG A 32 -14.541 -31.840 -17.257 1.00100.00 C ATOM 452 O ARG A 32 -15.676 -31.473 -16.944 1.00100.00 O ATOM 453 CB ARG A 32 -12.828 -30.169 -17.508 1.00100.00 C ATOM 454 CG ARG A 32 -11.789 -29.300 -16.809 1.00100.00 C ATOM 455 CD ARG A 32 -11.338 -28.176 -17.739 1.00100.00 C ATOM 456 NE ARG A 32 -10.389 -27.287 -17.066 1.00100.00 N ATOM 457 CZ ARG A 32 -10.748 -26.348 -16.177 1.00100.00 C ATOM 458 NH1 ARG A 32 -12.038 -26.173 -15.855 1.00100.00 N ATOM 459 NH2 ARG A 32 -9.811 -25.578 -15.609 1.00100.00 N ATOM 0 H ARG A 32 -11.401 -31.909 -16.386 1.00100.00 H new ATOM 0 HA ARG A 32 -13.759 -30.868 -15.594 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.383 -30.649 -18.380 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.647 -29.548 -17.870 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.209 -28.880 -15.895 1.00100.00 H new ATOM 0 HG3 ARG A 32 -10.932 -29.907 -16.517 1.00100.00 H new ATOM 0 HD2 ARG A 32 -10.875 -28.600 -18.630 1.00100.00 H new ATOM 0 HD3 ARG A 32 -12.205 -27.604 -18.071 1.00100.00 H new ATOM 0 HE ARG A 32 -9.398 -27.387 -17.286 1.00100.00 H new ATOM 0 HH11 ARG A 32 -12.755 -26.756 -16.287 1.00100.00 H new ATOM 0 HH12 ARG A 32 -12.302 -25.457 -15.178 1.00100.00 H new ATOM 0 HH21 ARG A 32 -8.829 -25.706 -15.853 1.00100.00 H new ATOM 0 HH22 ARG A 32 -10.079 -24.863 -14.933 1.00100.00 H new ATOM 473 N ASN A 33 -14.308 -32.782 -18.203 1.00100.00 N ATOM 474 CA ASN A 33 -15.385 -33.364 -18.968 1.00100.00 C ATOM 475 C ASN A 33 -15.221 -34.847 -19.083 1.00100.00 C ATOM 476 O ASN A 33 -15.932 -35.592 -18.409 1.00100.00 O ATOM 477 CB ASN A 33 -15.490 -32.795 -20.414 1.00100.00 C ATOM 478 CG ASN A 33 -15.833 -31.312 -20.403 1.00100.00 C ATOM 479 OD1 ASN A 33 -16.679 -30.873 -19.626 1.00100.00 O ATOM 480 ND2 ASN A 33 -15.176 -30.536 -21.268 1.00100.00 N ATOM 0 H ASN A 33 -13.382 -33.139 -18.437 1.00100.00 H new ATOM 0 HA ASN A 33 -16.292 -33.108 -18.421 1.00100.00 H new ATOM 0 HB2 ASN A 33 -14.546 -32.948 -20.936 1.00100.00 H new ATOM 0 HB3 ASN A 33 -16.253 -33.342 -20.968 1.00100.00 H new ATOM 0 HD21 ASN A 33 -15.368 -29.535 -21.303 1.00100.00 H new ATOM 0 HD22 ASN A 33 -14.482 -30.944 -21.894 1.00100.00 H new ATOM 487 N GLY A 34 -14.243 -35.298 -19.908 1.00100.00 N ATOM 488 CA GLY A 34 -14.001 -36.695 -20.121 1.00100.00 C ATOM 489 C GLY A 34 -12.853 -36.881 -21.060 1.00100.00 C ATOM 490 O GLY A 34 -12.970 -36.633 -22.255 1.00100.00 O ATOM 0 H GLY A 34 -13.618 -34.684 -20.429 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.786 -37.184 -19.171 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.894 -37.169 -20.528 1.00100.00 H new ATOM 494 N PHE A 35 -11.717 -37.408 -20.565 1.00100.00 N ATOM 495 CA PHE A 35 -10.509 -37.611 -21.321 1.00100.00 C ATOM 496 C PHE A 35 -10.680 -38.752 -22.294 1.00100.00 C ATOM 497 O PHE A 35 -9.787 -38.955 -23.107 1.00100.00 O ATOM 498 CB PHE A 35 -9.272 -37.816 -20.426 1.00100.00 C ATOM 499 CG PHE A 35 -8.071 -37.101 -21.000 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.038 -35.701 -21.004 1.00100.00 C ATOM 501 CD2 PHE A 35 -6.994 -37.817 -21.534 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.939 -35.015 -21.535 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.882 -37.133 -22.048 1.00100.00 C ATOM 504 CZ PHE A 35 -5.858 -35.733 -22.059 1.00100.00 C ATOM 0 H PHE A 35 -11.633 -37.708 -19.594 1.00100.00 H new ATOM 0 HA PHE A 35 -10.326 -36.696 -21.885 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.478 -37.443 -19.423 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.057 -38.881 -20.333 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.868 -35.145 -20.594 1.00100.00 H new ATOM 0 HD2 PHE A 35 -7.019 -38.897 -21.551 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.926 -33.935 -21.540 1.00100.00 H new ATOM 0 HE2 PHE A 35 -5.041 -37.688 -22.437 1.00100.00 H new ATOM 0 HZ PHE A 35 -5.008 -35.209 -22.471 1.00100.00 H new ATOM 514 N TYR A 36 -11.761 -39.568 -22.181 1.00100.00 N ATOM 515 CA TYR A 36 -12.056 -40.596 -23.153 1.00100.00 C ATOM 516 C TYR A 36 -13.113 -40.023 -24.087 1.00100.00 C ATOM 517 O TYR A 36 -13.205 -40.440 -25.240 1.00100.00 O ATOM 518 CB TYR A 36 -12.859 -41.853 -22.703 1.00100.00 C ATOM 519 CG TYR A 36 -12.284 -42.934 -21.813 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.648 -44.047 -22.366 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.597 -42.962 -20.454 1.00100.00 C ATOM 522 CE1 TYR A 36 -11.122 -45.056 -21.547 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.116 -43.975 -19.616 1.00100.00 C ATOM 524 CZ TYR A 36 -11.336 -45.013 -20.156 1.00100.00 C ATOM 525 OH TYR A 36 -10.844 -45.997 -19.352 1.00100.00 O ATOM 0 H TYR A 36 -12.431 -39.515 -21.414 1.00100.00 H new ATOM 0 HA TYR A 36 -11.060 -40.874 -23.498 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.752 -41.483 -22.200 1.00100.00 H new ATOM 0 HB3 TYR A 36 -13.190 -42.349 -23.615 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.560 -44.132 -23.439 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.223 -42.186 -20.040 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.554 -45.865 -21.982 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.343 -43.959 -18.560 1.00100.00 H new ATOM 0 HH TYR A 36 -11.083 -45.809 -18.421 1.00100.00 H new ATOM 535 N LEU A 37 -13.854 -38.978 -23.630 1.00100.00 N ATOM 536 CA LEU A 37 -14.997 -38.399 -24.284 1.00100.00 C ATOM 537 C LEU A 37 -14.930 -37.827 -25.638 1.00100.00 C ATOM 538 O LEU A 37 -15.787 -38.212 -26.425 1.00100.00 O ATOM 539 CB LEU A 37 -15.696 -37.345 -23.369 1.00100.00 C ATOM 540 CG LEU A 37 -17.013 -36.775 -23.902 1.00100.00 C ATOM 541 CD1 LEU A 37 -18.129 -37.817 -23.870 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.414 -35.598 -23.010 1.00100.00 C ATOM 0 H LEU A 37 -13.636 -38.513 -22.749 1.00100.00 H new ATOM 0 HA LEU A 37 -15.546 -39.325 -24.453 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.886 -37.802 -22.398 1.00100.00 H new ATOM 0 HB3 LEU A 37 -15.004 -36.519 -23.203 1.00100.00 H new ATOM 0 HG LEU A 37 -16.869 -36.465 -24.937 1.00100.00 H new ATOM 0 HD11 LEU A 37 -19.049 -37.377 -24.255 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.848 -38.670 -24.488 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.288 -38.149 -22.844 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.351 -35.173 -23.369 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.542 -35.945 -21.985 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.635 -34.836 -23.040 1.00100.00 H new ATOM 554 N LEU A 38 -13.940 -36.984 -25.987 1.00100.00 N ATOM 555 CA LEU A 38 -13.951 -36.379 -27.297 1.00100.00 C ATOM 556 C LEU A 38 -13.876 -37.381 -28.416 1.00100.00 C ATOM 557 O LEU A 38 -14.624 -37.260 -29.388 1.00100.00 O ATOM 558 CB LEU A 38 -12.839 -35.323 -27.454 1.00100.00 C ATOM 559 CG LEU A 38 -12.916 -34.571 -28.783 1.00100.00 C ATOM 560 CD1 LEU A 38 -14.209 -33.762 -28.886 1.00100.00 C ATOM 561 CD2 LEU A 38 -11.722 -33.622 -28.865 1.00100.00 C ATOM 0 H LEU A 38 -13.155 -36.724 -25.391 1.00100.00 H new ATOM 0 HA LEU A 38 -14.918 -35.882 -27.374 1.00100.00 H new ATOM 0 HB2 LEU A 38 -12.905 -34.608 -26.634 1.00100.00 H new ATOM 0 HB3 LEU A 38 -11.868 -35.811 -27.374 1.00100.00 H new ATOM 0 HG LEU A 38 -12.901 -35.291 -29.601 1.00100.00 H new ATOM 0 HD11 LEU A 38 -14.235 -33.238 -29.842 1.00100.00 H new ATOM 0 HD12 LEU A 38 -15.065 -34.433 -28.817 1.00100.00 H new ATOM 0 HD13 LEU A 38 -14.250 -33.037 -28.073 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.757 -33.074 -29.807 1.00100.00 H new ATOM 0 HD22 LEU A 38 -11.759 -32.918 -28.034 1.00100.00 H new ATOM 0 HD23 LEU A 38 -10.797 -34.196 -28.813 1.00100.00 H new ATOM 573 N LYS A 39 -12.998 -38.397 -28.283 1.00100.00 N ATOM 574 CA LYS A 39 -12.853 -39.371 -29.320 1.00100.00 C ATOM 575 C LYS A 39 -12.733 -40.770 -28.834 1.00100.00 C ATOM 576 O LYS A 39 -11.910 -41.099 -27.982 1.00100.00 O ATOM 577 CB LYS A 39 -11.598 -39.145 -30.197 1.00100.00 C ATOM 578 CG LYS A 39 -11.647 -37.792 -30.898 1.00100.00 C ATOM 579 CD LYS A 39 -10.427 -37.656 -31.805 1.00100.00 C ATOM 580 CE LYS A 39 -10.466 -36.302 -32.509 1.00100.00 C ATOM 581 NZ LYS A 39 -9.302 -36.136 -33.393 1.00100.00 N ATOM 0 H LYS A 39 -12.399 -38.541 -27.470 1.00100.00 H new ATOM 0 HA LYS A 39 -13.775 -39.238 -29.886 1.00100.00 H new ATOM 0 HB2 LYS A 39 -10.703 -39.203 -29.577 1.00100.00 H new ATOM 0 HB3 LYS A 39 -11.523 -39.939 -30.940 1.00100.00 H new ATOM 0 HG2 LYS A 39 -12.562 -37.704 -31.483 1.00100.00 H new ATOM 0 HG3 LYS A 39 -11.661 -36.988 -30.163 1.00100.00 H new ATOM 0 HD2 LYS A 39 -9.513 -37.747 -31.219 1.00100.00 H new ATOM 0 HD3 LYS A 39 -10.416 -38.460 -32.541 1.00100.00 H new ATOM 0 HE2 LYS A 39 -11.384 -36.216 -33.090 1.00100.00 H new ATOM 0 HE3 LYS A 39 -10.482 -35.503 -31.768 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -9.351 -35.208 -33.860 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -8.429 -36.196 -32.832 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -9.303 -36.887 -34.113 1.00100.00 H new ATOM 595 N TYR A 40 -13.604 -41.626 -29.385 1.00100.00 N ATOM 596 CA TYR A 40 -13.577 -43.042 -29.154 1.00100.00 C ATOM 597 C TYR A 40 -13.232 -43.635 -30.519 1.00100.00 C ATOM 598 O TYR A 40 -13.090 -44.851 -30.662 1.00100.00 O ATOM 599 CB TYR A 40 -14.927 -43.584 -28.626 1.00100.00 C ATOM 600 CG TYR A 40 -14.897 -45.051 -28.275 1.00100.00 C ATOM 601 CD1 TYR A 40 -14.126 -45.487 -27.189 1.00100.00 C ATOM 602 CD2 TYR A 40 -15.641 -45.970 -29.027 1.00100.00 C ATOM 603 CE1 TYR A 40 -14.092 -46.845 -26.850 1.00100.00 C ATOM 604 CE2 TYR A 40 -15.614 -47.331 -28.697 1.00100.00 C ATOM 605 CZ TYR A 40 -14.838 -47.774 -27.605 1.00100.00 C ATOM 606 OH TYR A 40 -14.808 -49.098 -27.280 1.00100.00 O ATOM 0 H TYR A 40 -14.353 -41.330 -30.012 1.00100.00 H new ATOM 0 HA TYR A 40 -12.857 -43.311 -28.382 1.00100.00 H new ATOM 0 HB2 TYR A 40 -15.217 -43.014 -27.743 1.00100.00 H new ATOM 0 HB3 TYR A 40 -15.696 -43.416 -29.380 1.00100.00 H new ATOM 0 HD1 TYR A 40 -13.556 -44.773 -26.612 1.00100.00 H new ATOM 0 HD2 TYR A 40 -16.236 -45.629 -29.862 1.00100.00 H new ATOM 0 HE1 TYR A 40 -13.497 -47.180 -26.013 1.00100.00 H new ATOM 0 HE2 TYR A 40 -16.186 -48.040 -29.277 1.00100.00 H new ATOM 0 HH TYR A 40 -15.378 -49.600 -27.900 1.00100.00 H new ATOM 616 N ASP A 41 -13.014 -42.757 -31.544 1.00100.00 N ATOM 617 CA ASP A 41 -12.708 -43.058 -32.915 1.00100.00 C ATOM 618 C ASP A 41 -13.709 -43.965 -33.564 1.00100.00 C ATOM 619 O ASP A 41 -13.381 -44.928 -34.262 1.00100.00 O ATOM 620 CB ASP A 41 -11.230 -43.442 -33.177 1.00100.00 C ATOM 621 CG ASP A 41 -10.299 -42.329 -32.710 1.00100.00 C ATOM 622 OD1 ASP A 41 -10.415 -41.218 -33.270 1.00100.00 O ATOM 623 OD2 ASP A 41 -9.492 -42.607 -31.796 1.00100.00 O ATOM 0 H ASP A 41 -13.059 -41.750 -31.385 1.00100.00 H new ATOM 0 HA ASP A 41 -12.816 -42.106 -33.436 1.00100.00 H new ATOM 0 HB2 ASP A 41 -10.990 -44.368 -32.654 1.00100.00 H new ATOM 0 HB3 ASP A 41 -11.079 -43.628 -34.240 1.00100.00 H new ATOM 628 N GLU A 42 -14.995 -43.639 -33.311 1.00100.00 N ATOM 629 CA GLU A 42 -16.109 -44.350 -33.865 1.00100.00 C ATOM 630 C GLU A 42 -16.624 -43.392 -34.903 1.00100.00 C ATOM 631 O GLU A 42 -16.704 -42.185 -34.663 1.00100.00 O ATOM 632 CB GLU A 42 -17.230 -44.666 -32.856 1.00100.00 C ATOM 633 CG GLU A 42 -18.394 -45.418 -33.496 1.00100.00 C ATOM 634 CD GLU A 42 -19.430 -45.778 -32.439 1.00100.00 C ATOM 635 OE1 GLU A 42 -20.117 -44.842 -31.975 1.00100.00 O ATOM 636 OE2 GLU A 42 -19.512 -46.980 -32.106 1.00100.00 O ATOM 0 H GLU A 42 -15.265 -42.863 -32.707 1.00100.00 H new ATOM 0 HA GLU A 42 -15.801 -45.328 -34.235 1.00100.00 H new ATOM 0 HB2 GLU A 42 -16.822 -45.261 -32.039 1.00100.00 H new ATOM 0 HB3 GLU A 42 -17.597 -43.736 -32.421 1.00100.00 H new ATOM 0 HG2 GLU A 42 -18.852 -44.803 -34.271 1.00100.00 H new ATOM 0 HG3 GLU A 42 -18.029 -46.323 -33.982 1.00100.00 H new ATOM 643 N GLU A 43 -16.923 -43.914 -36.111 1.00100.00 N ATOM 644 CA GLU A 43 -17.412 -43.104 -37.199 1.00100.00 C ATOM 645 C GLU A 43 -18.830 -42.693 -36.915 1.00100.00 C ATOM 646 O GLU A 43 -19.654 -43.523 -36.522 1.00100.00 O ATOM 647 CB GLU A 43 -17.392 -43.834 -38.552 1.00100.00 C ATOM 648 CG GLU A 43 -15.969 -44.221 -38.952 1.00100.00 C ATOM 649 CD GLU A 43 -15.940 -44.923 -40.308 1.00100.00 C ATOM 650 OE1 GLU A 43 -17.026 -45.067 -40.911 1.00100.00 O ATOM 651 OE2 GLU A 43 -14.822 -45.302 -40.719 1.00100.00 O ATOM 0 H GLU A 43 -16.826 -44.904 -36.339 1.00100.00 H new ATOM 0 HA GLU A 43 -16.746 -42.244 -37.271 1.00100.00 H new ATOM 0 HB2 GLU A 43 -18.012 -44.729 -38.494 1.00100.00 H new ATOM 0 HB3 GLU A 43 -17.827 -43.194 -39.320 1.00100.00 H new ATOM 0 HG2 GLU A 43 -15.345 -43.328 -38.990 1.00100.00 H new ATOM 0 HG3 GLU A 43 -15.542 -44.876 -38.193 1.00100.00 H new ATOM 658 N TRP A 44 -19.120 -41.383 -37.098 1.00100.00 N ATOM 659 CA TRP A 44 -20.437 -40.858 -36.855 1.00100.00 C ATOM 660 C TRP A 44 -21.039 -40.324 -38.113 1.00100.00 C ATOM 661 O TRP A 44 -20.440 -39.506 -38.814 1.00100.00 O ATOM 662 CB TRP A 44 -20.489 -39.748 -35.780 1.00100.00 C ATOM 663 CG TRP A 44 -20.249 -40.227 -34.385 1.00100.00 C ATOM 664 CD1 TRP A 44 -19.046 -40.333 -33.780 1.00100.00 C ATOM 665 CD2 TRP A 44 -21.230 -40.673 -33.402 1.00100.00 C ATOM 666 NE1 TRP A 44 -19.214 -40.811 -32.497 1.00100.00 N ATOM 667 CE2 TRP A 44 -20.545 -41.036 -32.211 1.00100.00 C ATOM 668 CE3 TRP A 44 -22.630 -40.805 -33.402 1.00100.00 C ATOM 669 CZ2 TRP A 44 -21.215 -41.505 -31.075 1.00100.00 C ATOM 670 CZ3 TRP A 44 -23.312 -41.271 -32.269 1.00100.00 C ATOM 671 CH2 TRP A 44 -22.609 -41.621 -31.108 1.00100.00 C ATOM 0 H TRP A 44 -18.442 -40.689 -37.414 1.00100.00 H new ATOM 0 HA TRP A 44 -21.008 -41.706 -36.478 1.00100.00 H new ATOM 0 HB2 TRP A 44 -19.746 -38.989 -36.023 1.00100.00 H new ATOM 0 HB3 TRP A 44 -21.465 -39.264 -35.822 1.00100.00 H new ATOM 0 HD1 TRP A 44 -18.098 -40.082 -34.232 1.00100.00 H new ATOM 0 HE1 TRP A 44 -18.450 -40.977 -31.842 1.00100.00 H new ATOM 0 HE3 TRP A 44 -23.189 -40.543 -34.289 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -20.664 -41.773 -30.186 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -24.388 -41.361 -32.291 1.00100.00 H new ATOM 0 HH2 TRP A 44 -23.143 -41.980 -30.240 1.00100.00 H new HETATM 682 N PTR A 45 -22.259 -40.830 -38.411 1.00100.00 N HETATM 683 CA PTR A 45 -23.083 -40.498 -39.551 1.00100.00 C HETATM 684 C PTR A 45 -22.416 -40.535 -40.915 1.00100.00 C HETATM 685 O PTR A 45 -22.438 -39.533 -41.637 1.00100.00 O HETATM 686 CB PTR A 45 -24.000 -39.259 -39.322 1.00100.00 C HETATM 687 CG PTR A 45 -24.918 -39.431 -38.135 1.00100.00 C HETATM 688 CD1 PTR A 45 -24.472 -39.099 -36.848 1.00100.00 C HETATM 689 CD2 PTR A 45 -26.208 -39.949 -38.324 1.00100.00 C HETATM 690 CE1 PTR A 45 -25.314 -39.281 -35.743 1.00100.00 C HETATM 691 CE2 PTR A 45 -27.057 -40.131 -37.224 1.00100.00 C HETATM 692 CZ PTR A 45 -26.612 -39.799 -35.928 1.00100.00 C HETATM 693 OH PTR A 45 -27.435 -39.978 -34.856 1.00100.00 O HETATM 694 P PTR A 45 -27.442 -41.482 -34.316 1.00100.00 P HETATM 695 O1P PTR A 45 -26.142 -41.844 -33.921 1.00 0.00 O HETATM 696 O2P PTR A 45 -28.311 -41.582 -33.216 1.00 0.00 O HETATM 697 O3P PTR A 45 -27.879 -42.344 -35.338 1.00 0.00 O HETATM 0 HE2 PTR A 45 -28.061 -40.529 -37.370 1.00100.00 H new HETATM 0 HE1 PTR A 45 -24.966 -39.023 -34.743 1.00100.00 H new HETATM 0 HD2 PTR A 45 -26.550 -40.210 -39.326 1.00100.00 H new HETATM 0 HD1 PTR A 45 -23.468 -38.698 -36.707 1.00100.00 H new HETATM 0 HB3 PTR A 45 -23.380 -38.375 -39.173 1.00100.00 H new HETATM 0 HB2 PTR A 45 -24.597 -39.083 -40.217 1.00100.00 H new HETATM 0 HA PTR A 45 -23.751 -41.357 -39.611 1.00100.00 H new ATOM 706 N PRO A 46 -21.769 -41.683 -41.301 1.00100.00 N ATOM 707 CA PRO A 46 -21.106 -41.808 -42.579 1.00100.00 C ATOM 708 C PRO A 46 -22.121 -41.879 -43.678 1.00100.00 C ATOM 709 O PRO A 46 -22.819 -42.895 -43.825 1.00100.00 O ATOM 710 CB PRO A 46 -20.213 -43.045 -42.452 1.00100.00 C ATOM 711 CG PRO A 46 -20.960 -43.898 -41.427 1.00100.00 C ATOM 712 CD PRO A 46 -21.588 -42.867 -40.491 1.00100.00 C ATOM 0 HA PRO A 46 -20.488 -40.949 -42.840 1.00100.00 H new ATOM 0 HB2 PRO A 46 -20.101 -43.563 -43.405 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.211 -42.787 -42.110 1.00100.00 H new ATOM 0 HG2 PRO A 46 -21.717 -44.523 -41.901 1.00100.00 H new ATOM 0 HG3 PRO A 46 -20.284 -44.566 -40.892 1.00100.00 H new ATOM 0 HD2 PRO A 46 -22.539 -43.222 -40.094 1.00100.00 H new ATOM 0 HD3 PRO A 46 -20.942 -42.665 -39.637 1.00100.00 H new ATOM 720 N GLU A 47 -22.168 -40.813 -44.494 1.00100.00 N ATOM 721 CA GLU A 47 -23.084 -40.666 -45.588 1.00100.00 C ATOM 722 C GLU A 47 -22.889 -41.727 -46.621 1.00100.00 C ATOM 723 O GLU A 47 -23.869 -42.278 -47.120 1.00100.00 O ATOM 724 CB GLU A 47 -22.952 -39.303 -46.285 1.00100.00 C ATOM 725 CG GLU A 47 -23.233 -38.178 -45.290 1.00100.00 C ATOM 726 CD GLU A 47 -23.149 -36.819 -45.972 1.00100.00 C ATOM 727 OE1 GLU A 47 -22.019 -36.448 -46.358 1.00100.00 O ATOM 728 OE2 GLU A 47 -24.213 -36.177 -46.095 1.00100.00 O ATOM 0 H GLU A 47 -21.541 -40.016 -44.389 1.00100.00 H new ATOM 0 HA GLU A 47 -24.076 -40.752 -45.144 1.00100.00 H new ATOM 0 HB2 GLU A 47 -21.949 -39.192 -46.698 1.00100.00 H new ATOM 0 HB3 GLU A 47 -23.650 -39.243 -47.120 1.00100.00 H new ATOM 0 HG2 GLU A 47 -24.223 -38.311 -44.854 1.00100.00 H new ATOM 0 HG3 GLU A 47 -22.516 -38.224 -44.471 1.00100.00 H new ATOM 735 N GLU A 48 -21.613 -42.054 -46.931 1.00100.00 N ATOM 736 CA GLU A 48 -21.257 -43.047 -47.909 1.00100.00 C ATOM 737 C GLU A 48 -21.780 -44.404 -47.538 1.00100.00 C ATOM 738 O GLU A 48 -22.362 -45.083 -48.384 1.00100.00 O ATOM 739 CB GLU A 48 -19.730 -43.180 -48.073 1.00100.00 C ATOM 740 CG GLU A 48 -19.128 -41.882 -48.606 1.00100.00 C ATOM 741 CD GLU A 48 -17.652 -42.063 -48.945 1.00100.00 C ATOM 742 OE1 GLU A 48 -16.941 -42.659 -48.108 1.00100.00 O ATOM 743 OE2 GLU A 48 -17.263 -41.605 -50.041 1.00100.00 O ATOM 0 H GLU A 48 -20.806 -41.614 -46.488 1.00100.00 H new ATOM 0 HA GLU A 48 -21.706 -42.706 -48.842 1.00100.00 H new ATOM 0 HB2 GLU A 48 -19.277 -43.430 -47.114 1.00100.00 H new ATOM 0 HB3 GLU A 48 -19.503 -43.999 -48.755 1.00100.00 H new ATOM 0 HG2 GLU A 48 -19.672 -41.562 -49.495 1.00100.00 H new ATOM 0 HG3 GLU A 48 -19.240 -41.093 -47.863 1.00100.00 H new ATOM 750 N LEU A 49 -21.606 -44.806 -46.255 1.00100.00 N ATOM 751 CA LEU A 49 -22.071 -46.082 -45.774 1.00100.00 C ATOM 752 C LEU A 49 -23.565 -46.186 -45.793 1.00100.00 C ATOM 753 O LEU A 49 -24.099 -47.228 -46.170 1.00100.00 O ATOM 754 CB LEU A 49 -21.544 -46.460 -44.373 1.00100.00 C ATOM 755 CG LEU A 49 -20.011 -46.459 -44.340 1.00100.00 C ATOM 756 CD1 LEU A 49 -19.538 -46.902 -42.956 1.00100.00 C ATOM 757 CD2 LEU A 49 -19.426 -47.412 -45.384 1.00100.00 C ATOM 0 H LEU A 49 -21.139 -44.241 -45.546 1.00100.00 H new ATOM 0 HA LEU A 49 -21.652 -46.800 -46.479 1.00100.00 H new ATOM 0 HB2 LEU A 49 -21.927 -45.755 -43.635 1.00100.00 H new ATOM 0 HB3 LEU A 49 -21.916 -47.446 -44.095 1.00100.00 H new ATOM 0 HG LEU A 49 -19.670 -45.448 -44.563 1.00100.00 H new ATOM 0 HD11 LEU A 49 -18.448 -46.903 -42.927 1.00100.00 H new ATOM 0 HD12 LEU A 49 -19.920 -46.213 -42.203 1.00100.00 H new ATOM 0 HD13 LEU A 49 -19.907 -47.906 -42.750 1.00100.00 H new ATOM 0 HD21 LEU A 49 -18.338 -47.385 -45.332 1.00100.00 H new ATOM 0 HD22 LEU A 49 -19.774 -48.426 -45.187 1.00100.00 H new ATOM 0 HD23 LEU A 49 -19.749 -47.105 -46.379 1.00100.00 H new ATOM 769 N LEU A 50 -24.264 -45.096 -45.403 1.00100.00 N ATOM 770 CA LEU A 50 -25.704 -45.026 -45.368 1.00100.00 C ATOM 771 C LEU A 50 -26.293 -45.186 -46.744 1.00100.00 C ATOM 772 O LEU A 50 -27.274 -45.912 -46.911 1.00100.00 O ATOM 773 CB LEU A 50 -26.218 -43.706 -44.753 1.00100.00 C ATOM 774 CG LEU A 50 -25.881 -43.625 -43.261 1.00100.00 C ATOM 775 CD1 LEU A 50 -26.126 -42.203 -42.759 1.00100.00 C ATOM 776 CD2 LEU A 50 -26.747 -44.594 -42.457 1.00100.00 C ATOM 0 H LEU A 50 -23.813 -44.233 -45.101 1.00100.00 H new ATOM 0 HA LEU A 50 -26.027 -45.850 -44.732 1.00100.00 H new ATOM 0 HB2 LEU A 50 -25.773 -42.860 -45.276 1.00100.00 H new ATOM 0 HB3 LEU A 50 -27.297 -43.633 -44.890 1.00100.00 H new ATOM 0 HG LEU A 50 -24.833 -43.895 -43.129 1.00100.00 H new ATOM 0 HD11 LEU A 50 -25.886 -42.146 -41.697 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.494 -41.508 -43.312 1.00100.00 H new ATOM 0 HD13 LEU A 50 -27.173 -41.939 -42.909 1.00100.00 H new ATOM 0 HD21 LEU A 50 -26.491 -44.520 -41.400 1.00100.00 H new ATOM 0 HD22 LEU A 50 -27.799 -44.342 -42.594 1.00100.00 H new ATOM 0 HD23 LEU A 50 -26.570 -45.613 -42.803 1.00100.00 H new HETATM 788 N TPO A 51 -25.686 -44.526 -47.761 1.00100.00 N HETATM 789 CA TPO A 51 -26.131 -44.587 -49.132 1.00100.00 C HETATM 790 CB TPO A 51 -25.449 -43.536 -49.988 1.00100.00 C HETATM 791 CG2 TPO A 51 -24.916 -44.155 -51.281 1.00100.00 C HETATM 792 OG1 TPO A 51 -26.377 -42.524 -50.309 1.00100.00 O HETATM 793 P TPO A 51 -26.910 -41.873 -48.950 1.00100.00 P HETATM 794 O1P TPO A 51 -25.829 -41.324 -48.237 1.00 0.00 O HETATM 795 O2P TPO A 51 -27.838 -40.859 -49.248 1.00 0.00 O HETATM 796 O3P TPO A 51 -27.533 -42.863 -48.170 1.00 0.00 O HETATM 797 C TPO A 51 -25.798 -45.962 -49.662 1.00100.00 C HETATM 798 O TPO A 51 -24.701 -46.478 -49.436 1.00100.00 O HETATM 0 HG23 TPO A 51 -24.194 -44.936 -51.040 1.00100.00 H new HETATM 0 HG22 TPO A 51 -25.743 -44.587 -51.845 1.00100.00 H new HETATM 0 HG21 TPO A 51 -24.431 -43.385 -51.880 1.00100.00 H new HETATM 0 HB TPO A 51 -24.613 -43.118 -49.427 1.00100.00 H new HETATM 0 HA TPO A 51 -27.203 -44.395 -49.171 1.00100.00 H new HETATM 0 H TPO A 51 -24.994 -43.832 -47.480 1.00100.00 H new ATOM 805 N ASP A 52 -26.767 -46.585 -50.372 1.00100.00 N ATOM 806 CA ASP A 52 -26.599 -47.895 -50.951 1.00100.00 C ATOM 807 C ASP A 52 -25.627 -47.806 -52.091 1.00100.00 C ATOM 808 O ASP A 52 -25.683 -46.873 -52.900 1.00100.00 O ATOM 809 CB ASP A 52 -27.916 -48.514 -51.478 1.00100.00 C ATOM 810 CG ASP A 52 -28.953 -48.612 -50.367 1.00100.00 C ATOM 811 OD1 ASP A 52 -28.565 -49.050 -49.262 1.00100.00 O ATOM 812 OD2 ASP A 52 -30.115 -48.242 -50.641 1.00100.00 O ATOM 0 H ASP A 52 -27.683 -46.173 -50.548 1.00100.00 H new ATOM 0 HA ASP A 52 -26.234 -48.543 -50.154 1.00100.00 H new ATOM 0 HB2 ASP A 52 -28.307 -47.906 -52.294 1.00100.00 H new ATOM 0 HB3 ASP A 52 -27.719 -49.506 -51.886 1.00100.00 H new ATOM 817 N GLY A 53 -24.702 -48.784 -52.156 1.00100.00 N ATOM 818 CA GLY A 53 -23.701 -48.811 -53.187 1.00100.00 C ATOM 819 C GLY A 53 -22.628 -49.791 -52.842 1.00100.00 C ATOM 820 O GLY A 53 -22.834 -50.725 -52.065 1.00100.00 O ATOM 0 H GLY A 53 -24.645 -49.558 -51.494 1.00100.00 H new ATOM 0 HA2 GLY A 53 -24.157 -49.081 -54.139 1.00100.00 H new ATOM 0 HA3 GLY A 53 -23.270 -47.818 -53.311 1.00100.00 H new ATOM 824 N GLU A 54 -21.444 -49.575 -53.460 1.00100.00 N ATOM 825 CA GLU A 54 -20.255 -50.376 -53.300 1.00100.00 C ATOM 826 C GLU A 54 -19.718 -50.292 -51.900 1.00100.00 C ATOM 827 O GLU A 54 -19.866 -49.273 -51.220 1.00100.00 O ATOM 828 CB GLU A 54 -19.122 -49.961 -54.258 1.00100.00 C ATOM 829 CG GLU A 54 -19.478 -50.258 -55.713 1.00100.00 C ATOM 830 CD GLU A 54 -19.606 -51.757 -55.938 1.00100.00 C ATOM 831 OE1 GLU A 54 -18.564 -52.439 -55.821 1.00100.00 O ATOM 832 OE2 GLU A 54 -20.743 -52.196 -56.217 1.00100.00 O ATOM 0 H GLU A 54 -21.308 -48.799 -54.107 1.00100.00 H new ATOM 0 HA GLU A 54 -20.566 -51.395 -53.531 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.919 -48.896 -54.143 1.00100.00 H new ATOM 0 HB3 GLU A 54 -18.207 -50.490 -53.991 1.00100.00 H new ATOM 0 HG2 GLU A 54 -20.415 -49.765 -55.972 1.00100.00 H new ATOM 0 HG3 GLU A 54 -18.711 -49.850 -56.371 1.00100.00 H new ATOM 839 N ASP A 55 -19.094 -51.404 -51.445 1.00100.00 N ATOM 840 CA ASP A 55 -18.533 -51.533 -50.122 1.00100.00 C ATOM 841 C ASP A 55 -17.429 -50.558 -49.841 1.00100.00 C ATOM 842 O ASP A 55 -17.429 -49.943 -48.772 1.00100.00 O ATOM 843 CB ASP A 55 -17.995 -52.954 -49.844 1.00100.00 C ATOM 844 CG ASP A 55 -19.086 -53.997 -50.050 1.00100.00 C ATOM 845 OD1 ASP A 55 -20.179 -53.796 -49.478 1.00100.00 O ATOM 846 OD2 ASP A 55 -18.808 -54.972 -50.782 1.00100.00 O ATOM 0 H ASP A 55 -18.975 -52.241 -52.016 1.00100.00 H new ATOM 0 HA ASP A 55 -19.371 -51.316 -49.460 1.00100.00 H new ATOM 0 HB2 ASP A 55 -17.155 -53.165 -50.505 1.00100.00 H new ATOM 0 HB3 ASP A 55 -17.619 -53.012 -48.823 1.00100.00 H new ATOM 851 N ASP A 56 -16.490 -50.372 -50.802 1.00100.00 N ATOM 852 CA ASP A 56 -15.390 -49.455 -50.628 1.00100.00 C ATOM 853 C ASP A 56 -15.396 -48.435 -51.726 1.00100.00 C ATOM 854 O ASP A 56 -15.945 -48.661 -52.805 1.00100.00 O ATOM 855 CB ASP A 56 -13.983 -50.103 -50.634 1.00100.00 C ATOM 856 CG ASP A 56 -13.820 -51.057 -49.457 1.00100.00 C ATOM 857 OD1 ASP A 56 -14.113 -50.617 -48.324 1.00100.00 O ATOM 858 OD2 ASP A 56 -13.405 -52.209 -49.711 1.00100.00 O ATOM 0 H ASP A 56 -16.493 -50.857 -51.699 1.00100.00 H new ATOM 0 HA ASP A 56 -15.553 -49.025 -49.640 1.00100.00 H new ATOM 0 HB2 ASP A 56 -13.830 -50.643 -51.569 1.00100.00 H new ATOM 0 HB3 ASP A 56 -13.220 -49.326 -50.586 1.00100.00 H new ATOM 863 N VAL A 57 -14.777 -47.263 -51.439 1.00100.00 N ATOM 864 CA VAL A 57 -14.653 -46.131 -52.332 1.00100.00 C ATOM 865 C VAL A 57 -13.832 -46.533 -53.533 1.00100.00 C ATOM 866 O VAL A 57 -14.157 -46.149 -54.658 1.00100.00 O ATOM 867 CB VAL A 57 -14.058 -44.927 -51.610 1.00100.00 C ATOM 868 CG1 VAL A 57 -13.921 -43.749 -52.575 1.00100.00 C ATOM 869 CG2 VAL A 57 -14.965 -44.514 -50.449 1.00100.00 C ATOM 0 H VAL A 57 -14.338 -47.094 -50.534 1.00100.00 H new ATOM 0 HA VAL A 57 -15.642 -45.829 -52.676 1.00100.00 H new ATOM 0 HB VAL A 57 -13.075 -45.203 -51.229 1.00100.00 H new ATOM 0 HG11 VAL A 57 -13.495 -42.895 -52.048 1.00100.00 H new ATOM 0 HG12 VAL A 57 -13.267 -44.029 -53.401 1.00100.00 H new ATOM 0 HG13 VAL A 57 -14.903 -43.482 -52.965 1.00100.00 H new ATOM 0 HG21 VAL A 57 -14.533 -43.653 -49.938 1.00100.00 H new ATOM 0 HG22 VAL A 57 -15.951 -44.251 -50.833 1.00100.00 H new ATOM 0 HG23 VAL A 57 -15.058 -45.343 -49.747 1.00100.00 H new ATOM 879 N PHE A 58 -12.754 -47.318 -53.304 1.00100.00 N ATOM 880 CA PHE A 58 -11.897 -47.779 -54.356 1.00100.00 C ATOM 881 C PHE A 58 -12.491 -48.863 -55.216 1.00100.00 C ATOM 882 O PHE A 58 -11.968 -49.088 -56.306 1.00100.00 O ATOM 883 CB PHE A 58 -10.458 -48.142 -53.879 1.00100.00 C ATOM 884 CG PHE A 58 -10.414 -49.308 -52.922 1.00100.00 C ATOM 885 CD1 PHE A 58 -10.310 -50.615 -53.416 1.00100.00 C ATOM 886 CD2 PHE A 58 -10.471 -49.083 -51.540 1.00100.00 C ATOM 887 CE1 PHE A 58 -10.263 -51.698 -52.529 1.00100.00 C ATOM 888 CE2 PHE A 58 -10.425 -50.167 -50.652 1.00100.00 C ATOM 889 CZ PHE A 58 -10.321 -51.474 -51.146 1.00100.00 C ATOM 0 H PHE A 58 -12.477 -47.635 -52.375 1.00100.00 H new ATOM 0 HA PHE A 58 -11.801 -46.908 -55.004 1.00100.00 H new ATOM 0 HB2 PHE A 58 -9.844 -48.374 -54.749 1.00100.00 H new ATOM 0 HB3 PHE A 58 -10.013 -47.271 -53.398 1.00100.00 H new ATOM 0 HD1 PHE A 58 -10.266 -50.787 -54.481 1.00100.00 H new ATOM 0 HD2 PHE A 58 -10.550 -48.075 -51.159 1.00100.00 H new ATOM 0 HE1 PHE A 58 -10.182 -52.705 -52.910 1.00100.00 H new ATOM 0 HE2 PHE A 58 -10.470 -49.994 -49.587 1.00100.00 H new ATOM 0 HZ PHE A 58 -10.286 -52.309 -50.462 1.00100.00 H new ATOM 899 N ASP A 59 -13.596 -49.533 -54.778 1.00100.00 N ATOM 900 CA ASP A 59 -14.208 -50.600 -55.542 1.00100.00 C ATOM 901 C ASP A 59 -14.719 -50.205 -56.915 1.00100.00 C ATOM 902 O ASP A 59 -14.382 -50.930 -57.853 1.00100.00 O ATOM 903 CB ASP A 59 -15.352 -51.346 -54.799 1.00100.00 C ATOM 904 CG ASP A 59 -14.852 -52.145 -53.604 1.00100.00 C ATOM 905 OD1 ASP A 59 -13.630 -52.406 -53.553 1.00100.00 O ATOM 906 OD2 ASP A 59 -15.711 -52.495 -52.766 1.00100.00 O ATOM 0 H ASP A 59 -14.063 -49.333 -53.894 1.00100.00 H new ATOM 0 HA ASP A 59 -13.361 -51.274 -55.673 1.00100.00 H new ATOM 0 HB2 ASP A 59 -16.094 -50.622 -54.462 1.00100.00 H new ATOM 0 HB3 ASP A 59 -15.855 -52.017 -55.495 1.00100.00 H new ATOM 911 N PRO A 60 -15.497 -49.088 -57.126 1.00100.00 N ATOM 912 CA PRO A 60 -15.945 -48.721 -58.450 1.00100.00 C ATOM 913 C PRO A 60 -14.807 -48.217 -59.295 1.00100.00 C ATOM 914 O PRO A 60 -13.982 -47.455 -58.783 1.00100.00 O ATOM 915 CB PRO A 60 -17.067 -47.702 -58.260 1.00100.00 C ATOM 916 CG PRO A 60 -16.711 -47.081 -56.906 1.00100.00 C ATOM 917 CD PRO A 60 -16.104 -48.245 -56.122 1.00100.00 C ATOM 0 HA PRO A 60 -16.327 -49.581 -59.000 1.00100.00 H new ATOM 0 HB2 PRO A 60 -17.082 -46.959 -59.058 1.00100.00 H new ATOM 0 HB3 PRO A 60 -18.049 -48.175 -58.246 1.00100.00 H new ATOM 0 HG2 PRO A 60 -16.003 -46.260 -57.016 1.00100.00 H new ATOM 0 HG3 PRO A 60 -17.592 -46.678 -56.406 1.00100.00 H new ATOM 0 HD2 PRO A 60 -15.366 -47.894 -55.401 1.00100.00 H new ATOM 0 HD3 PRO A 60 -16.867 -48.785 -55.561 1.00100.00 H new ATOM 925 N ASP A 61 -14.783 -48.625 -60.589 1.00100.00 N ATOM 926 CA ASP A 61 -13.781 -48.261 -61.569 1.00100.00 C ATOM 927 C ASP A 61 -12.370 -48.533 -61.105 1.00100.00 C ATOM 928 O ASP A 61 -11.457 -47.720 -61.277 1.00100.00 O ATOM 929 CB ASP A 61 -13.938 -46.811 -62.111 1.00100.00 C ATOM 930 CG ASP A 61 -15.322 -46.595 -62.709 1.00100.00 C ATOM 931 OD1 ASP A 61 -15.690 -47.397 -63.595 1.00100.00 O ATOM 932 OD2 ASP A 61 -15.987 -45.631 -62.271 1.00100.00 O ATOM 0 H ASP A 61 -15.499 -49.241 -60.973 1.00100.00 H new ATOM 0 HA ASP A 61 -13.969 -48.925 -62.413 1.00100.00 H new ATOM 0 HB2 ASP A 61 -13.772 -46.098 -61.303 1.00100.00 H new ATOM 0 HB3 ASP A 61 -13.178 -46.618 -62.868 1.00100.00 H new ATOM 937 N LEU A 62 -12.181 -49.725 -60.498 1.00100.00 N ATOM 938 CA LEU A 62 -10.905 -50.139 -59.991 1.00100.00 C ATOM 939 C LEU A 62 -10.231 -50.902 -61.088 1.00100.00 C ATOM 940 O LEU A 62 -10.764 -51.895 -61.592 1.00100.00 O ATOM 941 CB LEU A 62 -11.034 -51.051 -58.744 1.00100.00 C ATOM 942 CG LEU A 62 -9.673 -51.453 -58.171 1.00100.00 C ATOM 943 CD1 LEU A 62 -8.929 -50.237 -57.619 1.00100.00 C ATOM 944 CD2 LEU A 62 -9.901 -52.457 -57.042 1.00100.00 C ATOM 0 H LEU A 62 -12.924 -50.409 -60.358 1.00100.00 H new ATOM 0 HA LEU A 62 -10.338 -49.260 -59.685 1.00100.00 H new ATOM 0 HB2 LEU A 62 -11.609 -50.533 -57.977 1.00100.00 H new ATOM 0 HB3 LEU A 62 -11.592 -51.948 -59.010 1.00100.00 H new ATOM 0 HG LEU A 62 -9.069 -51.892 -58.965 1.00100.00 H new ATOM 0 HD11 LEU A 62 -7.965 -50.551 -57.218 1.00100.00 H new ATOM 0 HD12 LEU A 62 -8.771 -49.513 -58.419 1.00100.00 H new ATOM 0 HD13 LEU A 62 -9.520 -49.778 -56.826 1.00100.00 H new ATOM 0 HD21 LEU A 62 -8.941 -52.755 -56.621 1.00100.00 H new ATOM 0 HD22 LEU A 62 -10.511 -51.998 -56.264 1.00100.00 H new ATOM 0 HD23 LEU A 62 -10.414 -53.335 -57.434 1.00100.00 H new ATOM 956 N ASP A 63 -9.036 -50.423 -61.491 1.00100.00 N ATOM 957 CA ASP A 63 -8.292 -51.082 -62.524 1.00100.00 C ATOM 958 C ASP A 63 -7.172 -51.737 -61.770 1.00100.00 C ATOM 959 O ASP A 63 -6.379 -51.068 -61.099 1.00100.00 O ATOM 960 CB ASP A 63 -7.729 -50.106 -63.588 1.00100.00 C ATOM 961 CG ASP A 63 -6.866 -50.852 -64.596 1.00100.00 C ATOM 962 OD1 ASP A 63 -7.435 -51.716 -65.300 1.00100.00 O ATOM 963 OD2 ASP A 63 -5.655 -50.552 -64.641 1.00100.00 O ATOM 0 H ASP A 63 -8.590 -49.590 -61.107 1.00100.00 H new ATOM 0 HA ASP A 63 -8.916 -51.772 -63.091 1.00100.00 H new ATOM 0 HB2 ASP A 63 -8.550 -49.607 -64.103 1.00100.00 H new ATOM 0 HB3 ASP A 63 -7.140 -49.329 -63.101 1.00100.00 H new ATOM 968 N MET A 64 -7.108 -53.081 -61.867 1.00100.00 N ATOM 969 CA MET A 64 -6.104 -53.848 -61.188 1.00100.00 C ATOM 970 C MET A 64 -5.058 -54.296 -62.158 1.00100.00 C ATOM 971 O MET A 64 -5.352 -54.630 -63.308 1.00100.00 O ATOM 972 CB MET A 64 -6.683 -55.062 -60.419 1.00100.00 C ATOM 973 CG MET A 64 -5.577 -55.816 -59.681 1.00100.00 C ATOM 974 SD MET A 64 -4.606 -54.809 -58.530 1.00100.00 S ATOM 975 CE MET A 64 -5.933 -54.224 -57.446 1.00100.00 C ATOM 0 H MET A 64 -7.757 -53.640 -62.420 1.00100.00 H new ATOM 0 HA MET A 64 -5.657 -53.193 -60.440 1.00100.00 H new ATOM 0 HB2 MET A 64 -7.435 -54.722 -59.707 1.00100.00 H new ATOM 0 HB3 MET A 64 -7.185 -55.734 -61.116 1.00100.00 H new ATOM 0 HG2 MET A 64 -6.026 -56.642 -59.129 1.00100.00 H new ATOM 0 HG3 MET A 64 -4.902 -56.254 -60.417 1.00100.00 H new ATOM 0 HE1 MET A 64 -5.502 -53.797 -56.541 1.00100.00 H new ATOM 0 HE2 MET A 64 -6.517 -53.463 -57.964 1.00100.00 H new ATOM 0 HE3 MET A 64 -6.581 -55.059 -57.180 1.00100.00 H new ATOM 985 N GLU A 65 -3.795 -54.042 -61.751 1.00100.00 N ATOM 986 CA GLU A 65 -2.616 -54.380 -62.496 1.00100.00 C ATOM 987 C GLU A 65 -2.150 -55.684 -61.917 1.00100.00 C ATOM 988 O GLU A 65 -1.963 -55.808 -60.702 1.00100.00 O ATOM 989 CB GLU A 65 -1.471 -53.354 -62.323 1.00100.00 C ATOM 990 CG GLU A 65 -1.903 -51.995 -62.868 1.00100.00 C ATOM 991 CD GLU A 65 -0.785 -50.973 -62.718 1.00100.00 C ATOM 992 OE1 GLU A 65 -0.698 -50.385 -61.618 1.00100.00 O ATOM 993 OE2 GLU A 65 -0.038 -50.800 -63.705 1.00100.00 O ATOM 0 H GLU A 65 -3.588 -53.581 -60.865 1.00100.00 H new ATOM 0 HA GLU A 65 -2.855 -54.411 -63.559 1.00100.00 H new ATOM 0 HB2 GLU A 65 -1.207 -53.265 -61.269 1.00100.00 H new ATOM 0 HB3 GLU A 65 -0.580 -53.699 -62.847 1.00100.00 H new ATOM 0 HG2 GLU A 65 -2.177 -52.090 -63.919 1.00100.00 H new ATOM 0 HG3 GLU A 65 -2.791 -51.651 -62.337 1.00100.00 H new ATOM 1000 N VAL A 66 -1.975 -56.696 -62.798 1.00100.00 N ATOM 1001 CA VAL A 66 -1.548 -58.009 -62.387 1.00100.00 C ATOM 1002 C VAL A 66 -0.110 -58.098 -62.829 1.00100.00 C ATOM 1003 O VAL A 66 0.221 -57.815 -63.983 1.00100.00 O ATOM 1004 CB VAL A 66 -2.366 -59.134 -63.015 1.00100.00 C ATOM 1005 CG1 VAL A 66 -1.831 -60.499 -62.587 1.00100.00 C ATOM 1006 CG2 VAL A 66 -3.823 -59.002 -62.572 1.00100.00 C ATOM 0 H VAL A 66 -2.130 -56.604 -63.802 1.00100.00 H new ATOM 0 HA VAL A 66 -1.680 -58.134 -61.312 1.00100.00 H new ATOM 0 HB VAL A 66 -2.292 -59.056 -64.100 1.00100.00 H new ATOM 0 HG11 VAL A 66 -2.430 -61.285 -63.047 1.00100.00 H new ATOM 0 HG12 VAL A 66 -0.794 -60.599 -62.906 1.00100.00 H new ATOM 0 HG13 VAL A 66 -1.887 -60.588 -61.502 1.00100.00 H new ATOM 0 HG21 VAL A 66 -4.413 -59.803 -63.018 1.00100.00 H new ATOM 0 HG22 VAL A 66 -3.881 -59.070 -61.486 1.00100.00 H new ATOM 0 HG23 VAL A 66 -4.216 -58.039 -62.897 1.00100.00 H new ATOM 1016 N VAL A 67 0.774 -58.480 -61.880 1.00100.00 N ATOM 1017 CA VAL A 67 2.195 -58.607 -62.116 1.00100.00 C ATOM 1018 C VAL A 67 2.603 -59.892 -62.807 1.00100.00 C ATOM 1019 O VAL A 67 3.745 -60.000 -63.255 1.00100.00 O ATOM 1020 CB VAL A 67 3.027 -58.423 -60.849 1.00100.00 C ATOM 1021 CG1 VAL A 67 2.710 -57.073 -60.206 1.00100.00 C ATOM 1022 CG2 VAL A 67 2.746 -59.546 -59.851 1.00100.00 C ATOM 0 H VAL A 67 0.499 -58.707 -60.924 1.00100.00 H new ATOM 0 HA VAL A 67 2.411 -57.788 -62.803 1.00100.00 H new ATOM 0 HB VAL A 67 4.081 -58.454 -61.124 1.00100.00 H new ATOM 0 HG11 VAL A 67 3.308 -56.951 -59.303 1.00100.00 H new ATOM 0 HG12 VAL A 67 2.944 -56.272 -60.907 1.00100.00 H new ATOM 0 HG13 VAL A 67 1.652 -57.032 -59.948 1.00100.00 H new ATOM 0 HG21 VAL A 67 3.349 -59.396 -58.955 1.00100.00 H new ATOM 0 HG22 VAL A 67 1.690 -59.539 -59.583 1.00100.00 H new ATOM 0 HG23 VAL A 67 2.999 -60.505 -60.302 1.00100.00 H new ATOM 1032 N PHE A 68 1.674 -60.880 -62.923 1.00100.00 N ATOM 1033 CA PHE A 68 1.872 -62.187 -63.527 1.00100.00 C ATOM 1034 C PHE A 68 3.039 -62.930 -62.918 1.00100.00 C ATOM 1035 O PHE A 68 3.838 -63.569 -63.608 1.00100.00 O ATOM 1036 CB PHE A 68 1.942 -62.193 -65.083 1.00100.00 C ATOM 1037 CG PHE A 68 0.726 -61.553 -65.708 1.00100.00 C ATOM 1038 CD1 PHE A 68 -0.439 -62.307 -65.906 1.00100.00 C ATOM 1039 CD2 PHE A 68 0.748 -60.195 -66.055 1.00100.00 C ATOM 1040 CE1 PHE A 68 -1.578 -61.705 -66.456 1.00100.00 C ATOM 1041 CE2 PHE A 68 -0.393 -59.593 -66.605 1.00100.00 C ATOM 1042 CZ PHE A 68 -1.556 -60.349 -66.805 1.00100.00 C ATOM 0 H PHE A 68 0.724 -60.760 -62.573 1.00100.00 H new ATOM 0 HA PHE A 68 0.958 -62.729 -63.285 1.00100.00 H new ATOM 0 HB2 PHE A 68 2.837 -61.663 -65.407 1.00100.00 H new ATOM 0 HB3 PHE A 68 2.034 -63.220 -65.438 1.00100.00 H new ATOM 0 HD1 PHE A 68 -0.458 -63.352 -65.634 1.00100.00 H new ATOM 0 HD2 PHE A 68 1.644 -59.612 -65.899 1.00100.00 H new ATOM 0 HE1 PHE A 68 -2.474 -62.287 -66.611 1.00100.00 H new ATOM 0 HE2 PHE A 68 -0.375 -58.547 -66.874 1.00100.00 H new ATOM 0 HZ PHE A 68 -2.435 -59.886 -67.228 1.00100.00 H new ATOM 1052 N GLU A 69 3.132 -62.839 -61.565 1.00100.00 N ATOM 1053 CA GLU A 69 4.140 -63.443 -60.722 1.00100.00 C ATOM 1054 C GLU A 69 5.546 -62.991 -61.052 1.00100.00 C ATOM 1055 O GLU A 69 6.520 -63.702 -60.785 1.00100.00 O ATOM 1056 CB GLU A 69 4.051 -64.990 -60.702 1.00100.00 C ATOM 1057 CG GLU A 69 2.665 -65.434 -60.241 1.00100.00 C ATOM 1058 CD GLU A 69 2.574 -66.953 -60.192 1.00100.00 C ATOM 1059 OE1 GLU A 69 2.966 -67.512 -59.145 1.00100.00 O ATOM 1060 OE2 GLU A 69 2.120 -67.527 -61.204 1.00100.00 O ATOM 0 H GLU A 69 2.453 -62.304 -61.023 1.00100.00 H new ATOM 0 HA GLU A 69 3.917 -63.084 -59.717 1.00100.00 H new ATOM 0 HB2 GLU A 69 4.255 -65.386 -61.697 1.00100.00 H new ATOM 0 HB3 GLU A 69 4.811 -65.396 -60.035 1.00100.00 H new ATOM 0 HG2 GLU A 69 2.455 -65.020 -59.255 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.908 -65.041 -60.919 1.00100.00 H new ATOM 1067 N THR A 70 5.681 -61.757 -61.593 1.00100.00 N ATOM 1068 CA THR A 70 6.953 -61.193 -61.957 1.00100.00 C ATOM 1069 C THR A 70 7.271 -60.292 -60.797 1.00100.00 C ATOM 1070 O THR A 70 6.456 -59.458 -60.387 1.00100.00 O ATOM 1071 CB THR A 70 6.912 -60.354 -63.220 1.00100.00 C ATOM 1072 OG1 THR A 70 6.456 -61.149 -64.292 1.00100.00 O ATOM 1073 CG2 THR A 70 8.306 -59.818 -63.543 1.00100.00 C ATOM 0 H THR A 70 4.890 -61.140 -61.781 1.00100.00 H new ATOM 0 HA THR A 70 7.679 -61.982 -62.156 1.00100.00 H new ATOM 0 HB THR A 70 6.236 -59.513 -63.068 1.00100.00 H new ATOM 0 HG1 THR A 70 5.478 -61.109 -64.336 1.00100.00 H new ATOM 0 HG21 THR A 70 8.263 -59.217 -64.452 1.00100.00 H new ATOM 0 HG22 THR A 70 8.659 -59.201 -62.717 1.00100.00 H new ATOM 0 HG23 THR A 70 8.991 -60.653 -63.692 1.00100.00 H new ATOM 1081 N GLN A 71 8.484 -60.487 -60.241 1.00100.00 N ATOM 1082 CA GLN A 71 8.962 -59.736 -59.116 1.00100.00 C ATOM 1083 C GLN A 71 9.771 -58.555 -59.654 1.00100.00 C ATOM 1084 O GLN A 71 9.444 -57.403 -59.272 1.00100.00 O ATOM 1085 CB GLN A 71 9.871 -60.548 -58.160 1.00100.00 C ATOM 1086 CG GLN A 71 9.179 -61.848 -57.747 1.00100.00 C ATOM 1087 CD GLN A 71 7.799 -61.583 -57.158 1.00100.00 C ATOM 1088 OE1 GLN A 71 7.674 -60.884 -56.156 1.00100.00 O ATOM 1089 NE2 GLN A 71 6.761 -62.140 -57.789 1.00100.00 N ATOM 1090 OXT GLN A 71 10.707 -58.820 -60.440 1.00100.00 O ATOM 0 H GLN A 71 9.148 -61.183 -60.581 1.00100.00 H new ATOM 0 HA GLN A 71 8.090 -59.429 -58.538 1.00100.00 H new ATOM 0 HB2 GLN A 71 10.818 -60.772 -58.651 1.00100.00 H new ATOM 0 HB3 GLN A 71 10.103 -59.954 -57.276 1.00100.00 H new ATOM 0 HG2 GLN A 71 9.086 -62.503 -58.613 1.00100.00 H new ATOM 0 HG3 GLN A 71 9.794 -62.372 -57.015 1.00100.00 H new ATOM 0 HE21 GLN A 71 6.916 -62.713 -58.618 1.00100.00 H new ATOM 0 HE22 GLN A 71 5.814 -61.992 -57.441 1.00100.00 H new TER 1099 GLN A 71 HETATM 1100 ZN ZN A 101 -11.214 -42.726 -14.472 1.00 73.25 ZN