USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 MET CE :methyl -154:sc= -0.0328 (180deg=-0.435) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.707! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00658 (180deg=-0.238) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.49! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.553 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA PRO A 6 28.499 -29.916 78.519 1.00 0.00 C ATOM 2 C PRO A 6 28.332 -28.830 77.468 1.00 0.00 C ATOM 3 O PRO A 6 27.591 -28.997 76.501 1.00 0.00 O ATOM 5 N ALA A 7 29.029 -27.717 77.675 1.00 0.00 N ATOM 6 CA ALA A 7 28.977 -26.582 76.759 1.00 0.00 C ATOM 7 C ALA A 7 29.683 -26.916 75.456 1.00 0.00 C ATOM 8 O ALA A 7 29.245 -26.516 74.380 1.00 0.00 O ATOM 9 CB ALA A 7 29.656 -25.370 77.378 1.00 0.00 C ATOM 0 H ALA A 7 29.643 -27.576 78.478 1.00 0.00 H new ATOM 0 HA ALA A 7 27.928 -26.360 76.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.609 -24.532 76.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 29.148 -25.102 78.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 30.698 -25.606 77.591 1.00 0.00 H new ATOM 15 N LYS A 8 30.784 -27.657 75.573 1.00 0.00 N ATOM 16 CA LYS A 8 31.577 -28.063 74.416 1.00 0.00 C ATOM 17 C LYS A 8 30.690 -28.710 73.364 1.00 0.00 C ATOM 18 O LYS A 8 30.805 -28.416 72.176 1.00 0.00 O ATOM 19 CB LYS A 8 32.651 -29.071 74.830 1.00 0.00 C ATOM 20 CG LYS A 8 33.568 -29.501 73.696 1.00 0.00 C ATOM 21 CD LYS A 8 34.643 -30.456 74.188 1.00 0.00 C ATOM 22 CE LYS A 8 35.551 -30.898 73.052 1.00 0.00 C ATOM 23 NZ LYS A 8 36.617 -31.825 73.521 1.00 0.00 N ATOM 0 H LYS A 8 31.148 -27.990 76.466 1.00 0.00 H new ATOM 0 HA LYS A 8 32.047 -27.170 74.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 33.255 -28.636 75.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 32.165 -29.954 75.245 1.00 0.00 H new ATOM 0 HG2 LYS A 8 32.981 -29.982 72.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 34.035 -28.623 73.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 35.236 -29.971 74.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 34.176 -31.329 74.644 1.00 0.00 H new ATOM 0 HE2 LYS A 8 34.956 -31.389 72.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 36.008 -30.022 72.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 37.214 -32.103 72.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 37.201 -31.348 74.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 36.181 -32.673 73.938 1.00 0.00 H new ATOM 37 N ALA A 9 29.808 -29.593 73.820 1.00 0.00 N ATOM 38 CA ALA A 9 28.886 -30.300 72.937 1.00 0.00 C ATOM 39 C ALA A 9 27.800 -29.359 72.436 1.00 0.00 C ATOM 40 O ALA A 9 27.331 -29.482 71.307 1.00 0.00 O ATOM 41 CB ALA A 9 28.222 -31.452 73.676 1.00 0.00 C ATOM 0 H ALA A 9 29.712 -29.838 74.805 1.00 0.00 H new ATOM 0 HA ALA A 9 29.460 -30.683 72.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 27.537 -31.969 73.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 28.985 -32.149 74.024 1.00 0.00 H new ATOM 0 HB3 ALA A 9 27.668 -31.065 74.531 1.00 0.00 H new ATOM 47 N ALA A 10 27.414 -28.418 73.292 1.00 0.00 N ATOM 48 CA ALA A 10 26.385 -27.438 72.962 1.00 0.00 C ATOM 49 C ALA A 10 26.880 -26.487 71.884 1.00 0.00 C ATOM 50 O ALA A 10 26.179 -26.218 70.911 1.00 0.00 O ATOM 51 CB ALA A 10 26.016 -26.622 74.191 1.00 0.00 C ATOM 0 H ALA A 10 27.803 -28.313 74.229 1.00 0.00 H new ATOM 0 HA ALA A 10 25.512 -27.981 72.601 1.00 0.00 H new ATOM 0 HB1 ALA A 10 25.247 -25.895 73.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.637 -27.286 74.968 1.00 0.00 H new ATOM 0 HB3 ALA A 10 26.899 -26.099 74.559 1.00 0.00 H new ATOM 57 N PHE A 11 28.098 -25.988 72.073 1.00 0.00 N ATOM 58 CA PHE A 11 28.717 -25.061 71.129 1.00 0.00 C ATOM 59 C PHE A 11 29.153 -25.795 69.873 1.00 0.00 C ATOM 60 O PHE A 11 28.962 -25.311 68.759 1.00 0.00 O ATOM 61 CB PHE A 11 29.947 -24.400 71.755 1.00 0.00 C ATOM 62 CG PHE A 11 30.619 -23.399 70.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 30.090 -22.131 70.695 1.00 0.00 C ATOM 64 CD2 PHE A 11 31.781 -23.726 70.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 30.709 -21.210 69.870 1.00 0.00 C ATOM 66 CE2 PHE A 11 32.399 -22.805 69.358 1.00 0.00 C ATOM 67 CZ PHE A 11 31.868 -21.552 69.200 1.00 0.00 C ATOM 0 H PHE A 11 28.681 -26.212 72.879 1.00 0.00 H new ATOM 0 HA PHE A 11 27.978 -24.301 70.876 1.00 0.00 H new ATOM 0 HB2 PHE A 11 29.651 -23.905 72.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 30.666 -25.174 72.024 1.00 0.00 H new ATOM 0 HD1 PHE A 11 29.185 -21.858 71.217 1.00 0.00 H new ATOM 0 HD2 PHE A 11 32.209 -24.711 70.299 1.00 0.00 H new ATOM 0 HE1 PHE A 11 30.287 -20.223 69.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 33.305 -23.074 68.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 32.353 -20.835 68.555 1.00 0.00 H new ATOM 77 N ASP A 12 29.743 -26.971 70.071 1.00 0.00 N ATOM 78 CA ASP A 12 30.221 -27.802 68.968 1.00 0.00 C ATOM 79 C ASP A 12 29.051 -28.427 68.226 1.00 0.00 C ATOM 80 O ASP A 12 29.070 -28.542 67.003 1.00 0.00 O ATOM 81 CB ASP A 12 31.116 -28.926 69.493 1.00 0.00 C ATOM 82 CG ASP A 12 31.809 -29.687 68.380 1.00 0.00 C ATOM 83 OD1 ASP A 12 32.513 -29.047 67.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 31.648 -30.924 68.316 1.00 0.00 O ATOM 0 H ASP A 12 29.903 -27.373 70.995 1.00 0.00 H new ATOM 0 HA ASP A 12 30.788 -27.162 68.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.866 -28.505 70.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 30.515 -29.619 70.082 1.00 0.00 H new ATOM 90 N SER A 13 28.035 -28.827 68.986 1.00 0.00 N ATOM 91 CA SER A 13 26.839 -29.446 68.427 1.00 0.00 C ATOM 92 C SER A 13 26.088 -28.457 67.549 1.00 0.00 C ATOM 93 O SER A 13 25.656 -28.793 66.447 1.00 0.00 O ATOM 94 CB SER A 13 25.902 -29.908 69.545 1.00 0.00 C ATOM 95 OG SER A 13 24.735 -30.512 69.016 1.00 0.00 O ATOM 0 H SER A 13 28.018 -28.731 70.001 1.00 0.00 H new ATOM 0 HA SER A 13 27.156 -30.303 67.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.422 -30.617 70.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.625 -29.056 70.166 1.00 0.00 H new ATOM 0 HG SER A 13 24.154 -30.800 69.751 1.00 0.00 H new ATOM 101 N LEU A 14 25.942 -27.235 68.054 1.00 0.00 N ATOM 102 CA LEU A 14 25.245 -26.172 67.335 1.00 0.00 C ATOM 103 C LEU A 14 26.001 -25.803 66.070 1.00 0.00 C ATOM 104 O LEU A 14 25.419 -25.696 64.994 1.00 0.00 O ATOM 105 CB LEU A 14 25.126 -24.922 68.210 1.00 0.00 C ATOM 106 CG LEU A 14 24.391 -23.731 67.593 1.00 0.00 C ATOM 107 CD1 LEU A 14 22.939 -24.083 67.308 1.00 0.00 C ATOM 108 CD2 LEU A 14 24.415 -22.537 68.536 1.00 0.00 C ATOM 0 H LEU A 14 26.301 -26.955 68.967 1.00 0.00 H new ATOM 0 HA LEU A 14 24.251 -26.539 67.079 1.00 0.00 H new ATOM 0 HB2 LEU A 14 24.616 -25.198 69.133 1.00 0.00 H new ATOM 0 HB3 LEU A 14 26.130 -24.599 68.484 1.00 0.00 H new ATOM 0 HG LEU A 14 24.901 -23.480 66.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.435 -23.222 66.870 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.898 -24.921 66.612 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.442 -24.359 68.238 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.887 -21.701 68.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 23.928 -22.804 69.474 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.448 -22.250 68.733 1.00 0.00 H new ATOM 120 N GLN A 15 27.310 -25.607 66.219 1.00 0.00 N ATOM 121 CA GLN A 15 28.176 -25.244 65.101 1.00 0.00 C ATOM 122 C GLN A 15 28.037 -26.250 63.971 1.00 0.00 C ATOM 123 O GLN A 15 27.996 -25.883 62.799 1.00 0.00 O ATOM 124 CB GLN A 15 29.640 -25.215 65.545 1.00 0.00 C ATOM 125 CG GLN A 15 30.608 -24.764 64.463 1.00 0.00 C ATOM 126 CD GLN A 15 32.039 -24.685 64.957 1.00 0.00 C ATOM 127 OE1 GLN A 15 32.322 -24.983 66.117 1.00 0.00 O ATOM 128 NE2 GLN A 15 32.946 -24.281 64.076 1.00 0.00 N ATOM 0 H GLN A 15 27.796 -25.695 67.111 1.00 0.00 H new ATOM 0 HA GLN A 15 27.874 -24.255 64.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 29.735 -24.549 66.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 29.926 -26.212 65.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 30.555 -25.456 63.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 30.301 -23.786 64.091 1.00 0.00 H new ATOM 0 HE21 GLN A 15 32.663 -24.045 63.125 1.00 0.00 H new ATOM 0 HE22 GLN A 15 33.926 -24.207 64.350 1.00 0.00 H new ATOM 137 N ALA A 16 27.964 -27.526 64.345 1.00 0.00 N ATOM 138 CA ALA A 16 27.828 -28.615 63.380 1.00 0.00 C ATOM 139 C ALA A 16 26.430 -28.629 62.787 1.00 0.00 C ATOM 140 O ALA A 16 26.259 -28.705 61.572 1.00 0.00 O ATOM 141 CB ALA A 16 28.079 -29.955 64.054 1.00 0.00 C ATOM 0 H ALA A 16 27.997 -27.832 65.317 1.00 0.00 H new ATOM 0 HA ALA A 16 28.562 -28.454 62.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.974 -30.756 63.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 29.087 -29.971 64.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 27.356 -30.100 64.856 1.00 0.00 H new ATOM 147 N SER A 17 25.433 -28.554 63.664 1.00 0.00 N ATOM 148 CA SER A 17 24.031 -28.557 63.255 1.00 0.00 C ATOM 149 C SER A 17 23.761 -27.425 62.278 1.00 0.00 C ATOM 150 O SER A 17 23.250 -27.648 61.182 1.00 0.00 O ATOM 151 CB SER A 17 23.118 -28.377 64.470 1.00 0.00 C ATOM 152 OG SER A 17 23.208 -29.488 65.345 1.00 0.00 O ATOM 0 H SER A 17 25.572 -28.490 64.672 1.00 0.00 H new ATOM 0 HA SER A 17 23.825 -29.515 62.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 23.393 -27.467 65.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 22.087 -28.254 64.139 1.00 0.00 H new ATOM 0 HG SER A 17 24.043 -29.436 65.855 1.00 0.00 H new ATOM 158 N ALA A 18 24.112 -26.211 62.691 1.00 0.00 N ATOM 159 CA ALA A 18 23.918 -25.020 61.870 1.00 0.00 C ATOM 160 C ALA A 18 24.869 -25.031 60.684 1.00 0.00 C ATOM 161 O ALA A 18 24.558 -24.496 59.622 1.00 0.00 O ATOM 162 CB ALA A 18 24.181 -23.764 62.687 1.00 0.00 C ATOM 0 H ALA A 18 24.537 -26.025 63.600 1.00 0.00 H new ATOM 0 HA ALA A 18 22.887 -25.023 61.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.032 -22.885 62.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.493 -23.729 63.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 25.207 -23.778 63.055 1.00 0.00 H new ATOM 168 N THR A 19 26.030 -25.648 60.883 1.00 0.00 N ATOM 169 CA THR A 19 27.050 -25.745 59.844 1.00 0.00 C ATOM 170 C THR A 19 26.643 -26.766 58.792 1.00 0.00 C ATOM 171 O THR A 19 26.638 -26.473 57.598 1.00 0.00 O ATOM 172 CB THR A 19 28.408 -26.180 60.425 1.00 0.00 C ATOM 173 OG1 THR A 19 28.861 -25.203 61.371 1.00 0.00 O ATOM 174 CG2 THR A 19 29.444 -26.312 59.319 1.00 0.00 C ATOM 0 H THR A 19 26.289 -26.092 61.764 1.00 0.00 H new ATOM 0 HA THR A 19 27.144 -24.754 59.400 1.00 0.00 H new ATOM 0 HB THR A 19 28.281 -27.146 60.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 28.522 -25.429 62.262 1.00 0.00 H new ATOM 0 HG21 THR A 19 30.397 -26.620 59.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 29.113 -27.059 58.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 29.565 -25.352 58.818 1.00 0.00 H new ATOM 182 N GLU A 20 26.302 -27.965 59.256 1.00 0.00 N ATOM 183 CA GLU A 20 25.887 -29.053 58.375 1.00 0.00 C ATOM 184 C GLU A 20 24.618 -28.678 57.627 1.00 0.00 C ATOM 185 O GLU A 20 24.489 -28.939 56.434 1.00 0.00 O ATOM 186 CB GLU A 20 25.614 -30.323 59.184 1.00 0.00 C ATOM 187 CG GLU A 20 26.859 -30.956 59.784 1.00 0.00 C ATOM 188 CD GLU A 20 26.544 -32.180 60.621 1.00 0.00 C ATOM 189 OE1 GLU A 20 25.347 -32.503 60.774 1.00 0.00 O ATOM 190 OE2 GLU A 20 27.494 -32.816 61.124 1.00 0.00 O ATOM 0 H GLU A 20 26.305 -28.209 60.246 1.00 0.00 H new ATOM 0 HA GLU A 20 26.695 -29.232 57.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 24.917 -30.086 59.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 25.123 -31.053 58.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 27.543 -31.235 58.982 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.375 -30.221 60.402 1.00 0.00 H new ATOM 198 N MET A 21 23.687 -28.061 58.349 1.00 0.00 N ATOM 199 CA MET A 21 22.412 -27.636 57.777 1.00 0.00 C ATOM 200 C MET A 21 22.633 -26.565 56.721 1.00 0.00 C ATOM 201 O MET A 21 21.953 -26.541 55.697 1.00 0.00 O ATOM 202 CB MET A 21 21.502 -27.062 58.865 1.00 0.00 C ATOM 203 CG MET A 21 20.118 -26.671 58.373 1.00 0.00 C ATOM 204 SD MET A 21 19.067 -26.029 59.690 1.00 0.00 S ATOM 205 CE MET A 21 19.849 -24.450 60.008 1.00 0.00 C ATOM 0 H MET A 21 23.793 -27.843 59.340 1.00 0.00 H new ATOM 0 HA MET A 21 21.943 -28.510 57.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 21.398 -27.798 59.662 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.982 -26.186 59.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 20.214 -25.918 57.591 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.638 -27.540 57.922 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.185 -23.830 60.611 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.784 -24.609 60.545 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.054 -23.949 59.062 1.00 0.00 H new ATOM 215 N ILE A 22 23.591 -25.684 56.988 1.00 0.00 N ATOM 216 CA ILE A 22 23.926 -24.594 56.075 1.00 0.00 C ATOM 217 C ILE A 22 24.310 -25.143 54.711 1.00 0.00 C ATOM 218 O ILE A 22 24.063 -24.514 53.685 1.00 0.00 O ATOM 219 CB ILE A 22 25.109 -23.761 56.601 1.00 0.00 C ATOM 220 CG1 ILE A 22 25.211 -22.438 55.839 1.00 0.00 C ATOM 221 CG2 ILE A 22 26.416 -24.520 56.425 1.00 0.00 C ATOM 222 CD1 ILE A 22 26.144 -21.434 56.480 1.00 0.00 C ATOM 0 H ILE A 22 24.155 -25.703 57.838 1.00 0.00 H new ATOM 0 HA ILE A 22 23.042 -23.961 55.998 1.00 0.00 H new ATOM 0 HB ILE A 22 24.935 -23.567 57.659 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.552 -22.640 54.824 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.217 -21.997 55.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.241 -23.916 56.802 1.00 0.00 H new ATOM 0 HG22 ILE A 22 26.370 -25.458 56.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.575 -24.731 55.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.164 -20.522 55.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.793 -21.202 57.485 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.148 -21.854 56.534 1.00 0.00 H new ATOM 234 N GLY A 23 24.918 -26.327 54.717 1.00 0.00 N ATOM 235 CA GLY A 23 25.352 -26.988 53.490 1.00 0.00 C ATOM 236 C GLY A 23 24.151 -27.502 52.711 1.00 0.00 C ATOM 237 O GLY A 23 24.163 -27.536 51.483 1.00 0.00 O ATOM 0 H GLY A 23 25.122 -26.852 55.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 25.921 -26.290 52.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 26.018 -27.816 53.732 1.00 0.00 H new ATOM 241 N TYR A 24 23.118 -27.901 53.446 1.00 0.00 N ATOM 242 CA TYR A 24 21.891 -28.422 52.850 1.00 0.00 C ATOM 243 C TYR A 24 21.184 -27.337 52.054 1.00 0.00 C ATOM 244 O TYR A 24 20.756 -27.562 50.924 1.00 0.00 O ATOM 245 CB TYR A 24 20.938 -28.923 53.937 1.00 0.00 C ATOM 246 CG TYR A 24 19.632 -29.468 53.404 1.00 0.00 C ATOM 247 CD1 TYR A 24 19.567 -30.737 52.843 1.00 0.00 C ATOM 248 CD2 TYR A 24 18.469 -28.711 53.463 1.00 0.00 C ATOM 249 CE1 TYR A 24 18.379 -31.243 52.353 1.00 0.00 C ATOM 250 CE2 TYR A 24 17.271 -29.201 52.978 1.00 0.00 C ATOM 251 CZ TYR A 24 17.234 -30.478 52.420 1.00 0.00 C ATOM 252 OH TYR A 24 16.049 -30.980 51.932 1.00 0.00 O ATOM 0 H TYR A 24 23.106 -27.873 54.466 1.00 0.00 H new ATOM 0 HA TYR A 24 22.165 -29.245 52.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 21.437 -29.702 54.513 1.00 0.00 H new ATOM 0 HB3 TYR A 24 20.725 -28.105 54.625 1.00 0.00 H new ATOM 0 HD1 TYR A 24 20.462 -31.339 52.789 1.00 0.00 H new ATOM 0 HD2 TYR A 24 18.501 -27.722 53.896 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.347 -32.232 51.920 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.374 -28.602 53.031 1.00 0.00 H new ATOM 0 HH TYR A 24 15.338 -30.317 52.055 1.00 0.00 H new ATOM 262 N ALA A 25 21.073 -26.158 52.660 1.00 0.00 N ATOM 263 CA ALA A 25 20.422 -25.013 52.029 1.00 0.00 C ATOM 264 C ALA A 25 21.130 -24.644 50.737 1.00 0.00 C ATOM 265 O ALA A 25 20.496 -24.467 49.699 1.00 0.00 O ATOM 266 CB ALA A 25 20.453 -23.808 52.957 1.00 0.00 C ATOM 0 H ALA A 25 21.429 -25.970 53.597 1.00 0.00 H new ATOM 0 HA ALA A 25 19.390 -25.291 51.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 19.964 -22.963 52.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 19.930 -24.048 53.883 1.00 0.00 H new ATOM 0 HB3 ALA A 25 21.487 -23.548 53.182 1.00 0.00 H new ATOM 272 N TRP A 26 22.453 -24.531 50.820 1.00 0.00 N ATOM 273 CA TRP A 26 23.279 -24.181 49.668 1.00 0.00 C ATOM 274 C TRP A 26 23.162 -25.243 48.587 1.00 0.00 C ATOM 275 O TRP A 26 23.046 -24.929 47.404 1.00 0.00 O ATOM 276 CB TRP A 26 24.749 -24.067 50.077 1.00 0.00 C ATOM 277 CG TRP A 26 25.660 -23.700 48.946 1.00 0.00 C ATOM 278 CD1 TRP A 26 26.512 -24.531 48.278 1.00 0.00 C ATOM 279 CD2 TRP A 26 25.809 -22.406 48.350 1.00 0.00 C ATOM 280 NE1 TRP A 26 27.184 -23.835 47.302 1.00 0.00 N ATOM 281 CE2 TRP A 26 26.770 -22.527 47.326 1.00 0.00 C ATOM 282 CE3 TRP A 26 25.226 -21.157 48.581 1.00 0.00 C ATOM 283 CZ2 TRP A 26 27.159 -21.447 46.536 1.00 0.00 C ATOM 284 CZ3 TRP A 26 25.615 -20.089 47.795 1.00 0.00 C ATOM 285 CH2 TRP A 26 26.571 -20.238 46.785 1.00 0.00 C ATOM 0 H TRP A 26 22.980 -24.678 51.681 1.00 0.00 H new ATOM 0 HA TRP A 26 22.926 -23.223 49.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 24.841 -23.319 50.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 25.074 -25.017 50.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 26.640 -25.583 48.486 1.00 0.00 H new ATOM 0 HE1 TRP A 26 27.877 -24.227 46.664 1.00 0.00 H new ATOM 0 HE3 TRP A 26 24.487 -21.029 49.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 27.897 -21.561 45.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 25.171 -19.119 47.964 1.00 0.00 H new ATOM 0 HH2 TRP A 26 26.850 -19.381 46.190 1.00 0.00 H new ATOM 296 N ALA A 27 23.193 -26.502 49.012 1.00 0.00 N ATOM 297 CA ALA A 27 23.093 -27.637 48.099 1.00 0.00 C ATOM 298 C ALA A 27 21.712 -27.686 47.463 1.00 0.00 C ATOM 299 O ALA A 27 21.581 -27.866 46.255 1.00 0.00 O ATOM 300 CB ALA A 27 23.327 -28.941 48.846 1.00 0.00 C ATOM 0 H ALA A 27 23.288 -26.764 49.993 1.00 0.00 H new ATOM 0 HA ALA A 27 23.852 -27.513 47.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.249 -29.777 48.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 24.321 -28.931 49.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.578 -29.050 49.631 1.00 0.00 H new ATOM 306 N MET A 28 20.688 -27.528 48.297 1.00 0.00 N ATOM 307 CA MET A 28 19.301 -27.549 47.843 1.00 0.00 C ATOM 308 C MET A 28 18.996 -26.319 47.003 1.00 0.00 C ATOM 309 O MET A 28 18.453 -26.423 45.906 1.00 0.00 O ATOM 310 CB MET A 28 18.346 -27.566 49.038 1.00 0.00 C ATOM 311 CG MET A 28 18.371 -28.861 49.834 1.00 0.00 C ATOM 312 SD MET A 28 17.872 -30.290 48.854 1.00 0.00 S ATOM 313 CE MET A 28 16.137 -29.931 48.591 1.00 0.00 C ATOM 0 H MET A 28 20.795 -27.383 49.301 1.00 0.00 H new ATOM 0 HA MET A 28 19.162 -28.449 47.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 18.597 -26.739 49.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 17.331 -27.391 48.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 19.376 -29.025 50.222 1.00 0.00 H new ATOM 0 HG3 MET A 28 17.709 -28.767 50.695 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.593 -30.862 48.430 1.00 0.00 H new ATOM 0 HE2 MET A 28 15.734 -29.422 49.466 1.00 0.00 H new ATOM 0 HE3 MET A 28 16.027 -29.290 47.716 1.00 0.00 H new ATOM 323 N VAL A 29 19.356 -25.154 47.538 1.00 0.00 N ATOM 324 CA VAL A 29 19.133 -23.882 46.858 1.00 0.00 C ATOM 325 C VAL A 29 19.931 -23.822 45.566 1.00 0.00 C ATOM 326 O VAL A 29 19.400 -23.479 44.512 1.00 0.00 O ATOM 327 CB VAL A 29 19.561 -22.691 47.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 19.515 -21.397 46.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 18.634 -22.549 48.932 1.00 0.00 C ATOM 0 H VAL A 29 19.807 -25.066 48.449 1.00 0.00 H new ATOM 0 HA VAL A 29 18.065 -23.817 46.651 1.00 0.00 H new ATOM 0 HB VAL A 29 20.579 -22.880 48.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 19.820 -20.566 47.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 20.192 -21.471 46.084 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.500 -21.226 46.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.952 -21.702 49.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.614 -22.384 48.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 18.670 -23.459 49.530 1.00 0.00 H new ATOM 339 N VAL A 30 21.213 -24.159 45.666 1.00 0.00 N ATOM 340 CA VAL A 30 22.114 -24.152 44.518 1.00 0.00 C ATOM 341 C VAL A 30 21.579 -25.054 43.416 1.00 0.00 C ATOM 342 O VAL A 30 21.620 -24.703 42.239 1.00 0.00 O ATOM 343 CB VAL A 30 23.519 -24.653 44.900 1.00 0.00 C ATOM 344 CG1 VAL A 30 24.376 -24.836 43.657 1.00 0.00 C ATOM 345 CG2 VAL A 30 24.209 -23.656 45.817 1.00 0.00 C ATOM 0 H VAL A 30 21.655 -24.443 46.540 1.00 0.00 H new ATOM 0 HA VAL A 30 22.177 -23.121 44.171 1.00 0.00 H new ATOM 0 HB VAL A 30 23.403 -25.608 45.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 25.365 -25.190 43.946 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.908 -25.566 42.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.470 -23.883 43.136 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.201 -24.026 46.077 1.00 0.00 H new ATOM 0 HG22 VAL A 30 24.302 -22.697 45.308 1.00 0.00 H new ATOM 0 HG23 VAL A 30 23.620 -23.529 46.725 1.00 0.00 H new ATOM 355 N VAL A 31 21.078 -26.218 43.820 1.00 0.00 N ATOM 356 CA VAL A 31 20.525 -27.195 42.886 1.00 0.00 C ATOM 357 C VAL A 31 19.174 -26.731 42.367 1.00 0.00 C ATOM 358 O VAL A 31 18.914 -26.763 41.167 1.00 0.00 O ATOM 359 CB VAL A 31 20.328 -28.568 43.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 19.584 -29.513 42.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 21.673 -29.190 43.899 1.00 0.00 C ATOM 0 H VAL A 31 21.044 -26.510 44.797 1.00 0.00 H new ATOM 0 HA VAL A 31 21.238 -27.288 42.067 1.00 0.00 H new ATOM 0 HB VAL A 31 19.749 -28.414 44.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.454 -30.478 43.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.607 -29.093 42.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.157 -29.646 41.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 21.516 -30.160 44.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 22.256 -29.321 42.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 22.212 -28.536 44.584 1.00 0.00 H new ATOM 371 N ILE A 32 18.320 -26.300 43.292 1.00 0.00 N ATOM 372 CA ILE A 32 16.984 -25.820 42.957 1.00 0.00 C ATOM 373 C ILE A 32 17.064 -24.600 42.055 1.00 0.00 C ATOM 374 O ILE A 32 16.435 -24.550 41.001 1.00 0.00 O ATOM 375 CB ILE A 32 16.194 -25.423 44.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 15.886 -26.659 45.066 1.00 0.00 C ATOM 377 CG2 ILE A 32 14.879 -24.761 43.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 15.332 -26.337 46.436 1.00 0.00 C ATOM 0 H ILE A 32 18.534 -26.274 44.289 1.00 0.00 H new ATOM 0 HA ILE A 32 16.474 -26.638 42.448 1.00 0.00 H new ATOM 0 HB ILE A 32 16.807 -24.725 44.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.170 -27.285 44.533 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.798 -27.245 45.182 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.334 -24.487 44.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.079 -23.865 43.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.279 -25.455 43.248 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.139 -27.263 46.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.055 -25.738 46.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.402 -25.778 46.330 1.00 0.00 H new ATOM 390 N VAL A 33 17.852 -23.618 42.487 1.00 0.00 N ATOM 391 CA VAL A 33 18.039 -22.380 41.737 1.00 0.00 C ATOM 392 C VAL A 33 18.940 -22.616 40.535 1.00 0.00 C ATOM 393 O VAL A 33 18.627 -22.203 39.421 1.00 0.00 O ATOM 394 CB VAL A 33 18.686 -21.286 42.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 19.040 -20.073 41.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 17.732 -20.844 43.705 1.00 0.00 C ATOM 0 H VAL A 33 18.376 -23.658 43.361 1.00 0.00 H new ATOM 0 HA VAL A 33 17.050 -22.053 41.415 1.00 0.00 H new ATOM 0 HB VAL A 33 19.590 -21.705 43.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.496 -19.310 42.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.742 -20.366 40.979 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.136 -19.672 41.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.206 -20.071 44.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.821 -20.447 43.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.485 -21.697 44.337 1.00 0.00 H new ATOM 406 N GLY A 34 20.063 -23.284 40.782 1.00 0.00 N ATOM 407 CA GLY A 34 21.033 -23.592 39.735 1.00 0.00 C ATOM 408 C GLY A 34 20.521 -24.714 38.847 1.00 0.00 C ATOM 409 O GLY A 34 20.478 -24.582 37.626 1.00 0.00 O ATOM 0 H GLY A 34 20.326 -23.625 41.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.223 -22.703 39.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.983 -23.881 40.185 1.00 0.00 H new ATOM 413 N ALA A 35 20.133 -25.816 39.480 1.00 0.00 N ATOM 414 CA ALA A 35 19.617 -26.982 38.770 1.00 0.00 C ATOM 415 C ALA A 35 18.236 -26.693 38.203 1.00 0.00 C ATOM 416 O ALA A 35 17.999 -26.848 37.007 1.00 0.00 O ATOM 417 CB ALA A 35 19.512 -28.172 39.711 1.00 0.00 C ATOM 0 H ALA A 35 20.167 -25.927 40.493 1.00 0.00 H new ATOM 0 HA ALA A 35 20.308 -27.211 37.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.126 -29.034 39.166 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.498 -28.408 40.111 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.837 -27.929 40.531 1.00 0.00 H new ATOM 423 N THR A 36 17.329 -26.271 39.082 1.00 0.00 N ATOM 424 CA THR A 36 15.958 -25.950 38.697 1.00 0.00 C ATOM 425 C THR A 36 15.938 -24.777 37.734 1.00 0.00 C ATOM 426 O THR A 36 15.385 -24.867 36.640 1.00 0.00 O ATOM 427 CB THR A 36 15.102 -25.573 39.920 1.00 0.00 C ATOM 428 OG1 THR A 36 15.052 -26.679 40.831 1.00 0.00 O ATOM 429 CG2 THR A 36 13.685 -25.225 39.492 1.00 0.00 C ATOM 0 H THR A 36 17.523 -26.143 40.075 1.00 0.00 H new ATOM 0 HA THR A 36 15.545 -26.841 38.224 1.00 0.00 H new ATOM 0 HB THR A 36 15.554 -24.707 40.404 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.202 -26.662 41.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.094 -24.961 40.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.710 -24.380 38.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.234 -26.084 38.996 1.00 0.00 H new ATOM 437 N ILE A 37 16.548 -23.674 38.158 1.00 0.00 N ATOM 438 CA ILE A 37 16.615 -22.458 37.351 1.00 0.00 C ATOM 439 C ILE A 37 17.607 -22.632 36.212 1.00 0.00 C ATOM 440 O ILE A 37 17.389 -22.142 35.105 1.00 0.00 O ATOM 441 CB ILE A 37 17.064 -21.247 38.191 1.00 0.00 C ATOM 442 CG1 ILE A 37 15.998 -20.895 39.230 1.00 0.00 C ATOM 443 CG2 ILE A 37 17.287 -20.035 37.300 1.00 0.00 C ATOM 444 CD1 ILE A 37 16.457 -19.882 40.256 1.00 0.00 C ATOM 0 H ILE A 37 17.008 -23.597 39.065 1.00 0.00 H new ATOM 0 HA ILE A 37 15.613 -22.279 36.962 1.00 0.00 H new ATOM 0 HB ILE A 37 17.995 -21.514 38.691 1.00 0.00 H new ATOM 0 HG12 ILE A 37 15.118 -20.506 38.717 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.690 -21.805 39.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 17.604 -19.189 37.910 1.00 0.00 H new ATOM 0 HG22 ILE A 37 18.059 -20.261 36.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.359 -19.785 36.787 1.00 0.00 H new ATOM 0 HD11 ILE A 37 15.648 -19.683 40.958 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.318 -20.276 40.796 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.737 -18.956 39.753 1.00 0.00 H new ATOM 456 N GLY A 38 18.699 -23.336 36.502 1.00 0.00 N ATOM 457 CA GLY A 38 19.747 -23.591 35.517 1.00 0.00 C ATOM 458 C GLY A 38 19.236 -24.511 34.422 1.00 0.00 C ATOM 459 O GLY A 38 19.427 -24.250 33.236 1.00 0.00 O ATOM 0 H GLY A 38 18.882 -23.743 37.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.082 -22.649 35.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.611 -24.042 36.005 1.00 0.00 H new ATOM 463 N ILE A 39 18.582 -25.593 34.839 1.00 0.00 N ATOM 464 CA ILE A 39 18.030 -26.575 33.913 1.00 0.00 C ATOM 465 C ILE A 39 17.026 -25.921 32.976 1.00 0.00 C ATOM 466 O ILE A 39 17.016 -26.188 31.777 1.00 0.00 O ATOM 467 CB ILE A 39 17.308 -27.712 34.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 18.312 -28.552 35.452 1.00 0.00 C ATOM 469 CG2 ILE A 39 16.587 -28.622 33.677 1.00 0.00 C ATOM 470 CD1 ILE A 39 19.366 -29.214 34.592 1.00 0.00 C ATOM 0 H ILE A 39 18.421 -25.812 35.822 1.00 0.00 H new ATOM 0 HA ILE A 39 18.869 -26.983 33.349 1.00 0.00 H new ATOM 0 HB ILE A 39 16.587 -27.259 35.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 18.804 -27.916 36.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 17.772 -29.321 36.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 16.082 -29.420 34.222 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.852 -28.043 33.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 17.309 -29.056 32.986 1.00 0.00 H new ATOM 0 HD11 ILE A 39 20.041 -29.792 35.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 18.885 -29.877 33.873 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.932 -28.451 34.059 1.00 0.00 H new ATOM 482 N LYS A 40 16.188 -25.059 33.545 1.00 0.00 N ATOM 483 CA LYS A 40 15.167 -24.346 32.782 1.00 0.00 C ATOM 484 C LYS A 40 15.801 -23.566 31.643 1.00 0.00 C ATOM 485 O LYS A 40 15.316 -23.593 30.514 1.00 0.00 O ATOM 486 CB LYS A 40 14.415 -23.363 33.681 1.00 0.00 C ATOM 487 CG LYS A 40 13.296 -22.611 32.979 1.00 0.00 C ATOM 488 CD LYS A 40 12.557 -21.695 33.942 1.00 0.00 C ATOM 489 CE LYS A 40 11.448 -20.932 33.237 1.00 0.00 C ATOM 490 NZ LYS A 40 10.707 -20.040 34.171 1.00 0.00 N ATOM 0 H LYS A 40 16.196 -24.836 34.540 1.00 0.00 H new ATOM 0 HA LYS A 40 14.474 -25.087 32.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.997 -23.908 34.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.125 -22.642 34.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.709 -22.023 32.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.596 -23.322 32.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.135 -22.284 34.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.259 -20.991 34.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.874 -20.338 32.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.754 -21.638 32.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.959 -19.538 33.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.279 -20.609 34.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.364 -19.349 34.586 1.00 0.00 H new ATOM 504 N LEU A 41 16.891 -22.871 31.958 1.00 0.00 N ATOM 505 CA LEU A 41 17.615 -22.070 30.978 1.00 0.00 C ATOM 506 C LEU A 41 18.006 -22.920 29.780 1.00 0.00 C ATOM 507 O LEU A 41 18.043 -22.437 28.650 1.00 0.00 O ATOM 508 CB LEU A 41 18.889 -21.490 31.596 1.00 0.00 C ATOM 509 CG LEU A 41 19.667 -20.494 30.734 1.00 0.00 C ATOM 510 CD1 LEU A 41 18.832 -19.253 30.459 1.00 0.00 C ATOM 511 CD2 LEU A 41 20.945 -20.060 31.436 1.00 0.00 C ATOM 0 H LEU A 41 17.294 -22.848 32.895 1.00 0.00 H new ATOM 0 HA LEU A 41 16.957 -21.261 30.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 18.622 -20.998 32.531 1.00 0.00 H new ATOM 0 HB3 LEU A 41 19.554 -22.316 31.849 1.00 0.00 H new ATOM 0 HG LEU A 41 19.909 -20.994 29.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 19.404 -18.558 29.845 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.921 -19.537 29.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.572 -18.773 31.402 1.00 0.00 H new ATOM 0 HD21 LEU A 41 21.484 -19.352 30.806 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.696 -19.585 32.385 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.573 -20.932 31.621 1.00 0.00 H new ATOM 523 N PHE A 42 18.297 -24.190 30.046 1.00 0.00 N ATOM 524 CA PHE A 42 18.689 -25.136 29.005 1.00 0.00 C ATOM 525 C PHE A 42 17.570 -25.304 27.991 1.00 0.00 C ATOM 526 O PHE A 42 17.808 -25.308 26.785 1.00 0.00 O ATOM 527 CB PHE A 42 19.000 -26.505 29.614 1.00 0.00 C ATOM 528 CG PHE A 42 20.308 -26.558 30.349 1.00 0.00 C ATOM 529 CD1 PHE A 42 21.246 -25.551 30.197 1.00 0.00 C ATOM 530 CD2 PHE A 42 20.602 -27.615 31.193 1.00 0.00 C ATOM 531 CE1 PHE A 42 22.450 -25.600 30.874 1.00 0.00 C ATOM 532 CE2 PHE A 42 21.806 -27.664 31.869 1.00 0.00 C ATOM 533 CZ PHE A 42 22.728 -26.663 31.713 1.00 0.00 C ATOM 0 H PHE A 42 18.268 -24.591 30.983 1.00 0.00 H new ATOM 0 HA PHE A 42 19.578 -24.740 28.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 18.198 -26.778 30.299 1.00 0.00 H new ATOM 0 HB3 PHE A 42 19.009 -27.252 28.820 1.00 0.00 H new ATOM 0 HD1 PHE A 42 21.035 -24.718 29.542 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.883 -28.410 31.324 1.00 0.00 H new ATOM 0 HE1 PHE A 42 23.173 -24.808 30.748 1.00 0.00 H new ATOM 0 HE2 PHE A 42 22.021 -28.496 32.524 1.00 0.00 H new ATOM 0 HZ PHE A 42 23.668 -26.704 32.243 1.00 0.00 H new ATOM 543 N LYS A 43 16.349 -25.444 28.498 1.00 0.00 N ATOM 544 CA LYS A 43 15.169 -25.614 27.656 1.00 0.00 C ATOM 545 C LYS A 43 14.841 -24.322 26.928 1.00 0.00 C ATOM 546 O LYS A 43 14.531 -24.328 25.740 1.00 0.00 O ATOM 547 CB LYS A 43 13.959 -26.010 28.504 1.00 0.00 C ATOM 548 CG LYS A 43 14.033 -27.418 29.073 1.00 0.00 C ATOM 549 CD LYS A 43 12.795 -27.750 29.890 1.00 0.00 C ATOM 550 CE LYS A 43 12.870 -29.157 30.459 1.00 0.00 C ATOM 551 NZ LYS A 43 11.670 -29.491 31.274 1.00 0.00 N ATOM 0 H LYS A 43 16.150 -25.443 29.498 1.00 0.00 H new ATOM 0 HA LYS A 43 15.389 -26.399 26.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.858 -25.302 29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.059 -25.922 27.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.138 -28.136 28.260 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.920 -27.513 29.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.690 -27.032 30.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.908 -27.655 29.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.966 -29.874 29.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.765 -29.253 31.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.760 -30.459 31.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.592 -28.823 32.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.818 -29.425 30.681 1.00 0.00 H new ATOM 565 N LYS A 44 14.916 -23.214 27.662 1.00 0.00 N ATOM 566 CA LYS A 44 14.633 -21.893 27.112 1.00 0.00 C ATOM 567 C LYS A 44 15.774 -21.430 26.221 1.00 0.00 C ATOM 568 O LYS A 44 15.553 -20.922 25.123 1.00 0.00 O ATOM 569 CB LYS A 44 14.454 -20.871 28.237 1.00 0.00 C ATOM 570 CG LYS A 44 13.176 -21.050 29.040 1.00 0.00 C ATOM 571 CD LYS A 44 11.946 -20.795 28.184 1.00 0.00 C ATOM 572 CE LYS A 44 10.669 -20.928 28.998 1.00 0.00 C ATOM 573 NZ LYS A 44 9.454 -20.718 28.164 1.00 0.00 N ATOM 0 H LYS A 44 15.173 -23.207 28.649 1.00 0.00 H new ATOM 0 HA LYS A 44 13.715 -21.967 26.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.307 -20.937 28.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.464 -19.869 27.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.137 -22.061 29.445 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.179 -20.367 29.889 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.002 -19.796 27.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.926 -21.501 27.354 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.630 -21.918 29.453 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.680 -20.203 29.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.605 -20.817 28.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.478 -19.764 27.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.429 -21.426 27.402 1.00 0.00 H new ATOM 587 N PHE A 45 16.996 -21.613 26.713 1.00 0.00 N ATOM 588 CA PHE A 45 18.197 -21.222 25.981 1.00 0.00 C ATOM 589 C PHE A 45 18.475 -22.200 24.851 1.00 0.00 C ATOM 590 O PHE A 45 18.818 -21.802 23.741 1.00 0.00 O ATOM 591 CB PHE A 45 19.410 -21.203 26.913 1.00 0.00 C ATOM 592 CG PHE A 45 20.683 -20.770 26.243 1.00 0.00 C ATOM 593 CD1 PHE A 45 20.927 -19.432 25.988 1.00 0.00 C ATOM 594 CD2 PHE A 45 21.636 -21.701 25.867 1.00 0.00 C ATOM 595 CE1 PHE A 45 22.098 -19.034 25.371 1.00 0.00 C ATOM 596 CE2 PHE A 45 22.806 -21.303 25.250 1.00 0.00 C ATOM 597 CZ PHE A 45 23.040 -19.975 25.002 1.00 0.00 C ATOM 0 H PHE A 45 17.181 -22.033 27.624 1.00 0.00 H new ATOM 0 HA PHE A 45 18.027 -20.225 25.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 19.204 -20.534 27.748 1.00 0.00 H new ATOM 0 HB3 PHE A 45 19.551 -22.200 27.331 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.195 -18.691 26.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.463 -22.750 26.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.277 -17.987 25.177 1.00 0.00 H new ATOM 0 HE2 PHE A 45 23.540 -22.041 24.962 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.956 -19.666 24.521 1.00 0.00 H new ATOM 607 N THR A 46 18.317 -23.486 25.152 1.00 0.00 N ATOM 608 CA THR A 46 18.543 -24.551 24.178 1.00 0.00 C ATOM 609 C THR A 46 17.394 -24.614 23.184 1.00 0.00 C ATOM 610 O THR A 46 17.609 -24.746 21.981 1.00 0.00 O ATOM 611 CB THR A 46 18.655 -25.926 24.861 1.00 0.00 C ATOM 612 OG1 THR A 46 19.773 -25.928 25.758 1.00 0.00 O ATOM 613 CG2 THR A 46 18.853 -27.022 23.825 1.00 0.00 C ATOM 0 H THR A 46 18.030 -23.819 26.073 1.00 0.00 H new ATOM 0 HA THR A 46 19.478 -24.321 23.668 1.00 0.00 H new ATOM 0 HB THR A 46 17.733 -26.115 25.411 1.00 0.00 H new ATOM 0 HG1 THR A 46 19.574 -25.359 26.531 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.930 -27.987 24.326 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.004 -27.035 23.142 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.767 -26.831 23.263 1.00 0.00 H new ATOM 621 N SER A 47 16.176 -24.517 23.705 1.00 0.00 N ATOM 622 CA SER A 47 14.969 -24.562 22.884 1.00 0.00 C ATOM 623 C SER A 47 14.787 -23.249 22.138 1.00 0.00 C ATOM 624 O SER A 47 14.441 -23.237 20.959 1.00 0.00 O ATOM 625 CB SER A 47 13.735 -24.799 23.757 1.00 0.00 C ATOM 626 OG SER A 47 12.555 -24.833 22.974 1.00 0.00 O ATOM 0 H SER A 47 15.996 -24.406 24.703 1.00 0.00 H new ATOM 0 HA SER A 47 15.079 -25.381 22.173 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.843 -25.739 24.298 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.657 -24.009 24.504 1.00 0.00 H new ATOM 0 HG SER A 47 11.781 -24.987 23.555 1.00 0.00 H new ATOM 632 N LYS A 48 15.022 -22.149 22.846 1.00 0.00 N ATOM 633 CA LYS A 48 14.889 -20.811 22.276 1.00 0.00 C ATOM 634 C LYS A 48 16.061 -20.507 21.356 1.00 0.00 C ATOM 635 O LYS A 48 15.889 -19.918 20.290 1.00 0.00 O ATOM 636 CB LYS A 48 14.857 -19.757 23.385 1.00 0.00 C ATOM 637 CG LYS A 48 13.588 -19.773 24.220 1.00 0.00 C ATOM 638 CD LYS A 48 12.374 -19.391 23.388 1.00 0.00 C ATOM 639 CE LYS A 48 11.112 -19.362 24.234 1.00 0.00 C ATOM 640 NZ LYS A 48 9.908 -19.026 23.424 1.00 0.00 N ATOM 0 H LYS A 48 15.308 -22.158 23.825 1.00 0.00 H new ATOM 0 HA LYS A 48 13.957 -20.781 21.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.713 -19.910 24.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.972 -18.770 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.442 -20.766 24.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.691 -19.081 25.056 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.534 -18.412 22.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.251 -20.103 22.572 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.971 -20.333 24.709 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.228 -18.630 25.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.068 -19.016 24.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.031 -18.088 22.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.782 -19.738 22.677 1.00 0.00 H new ATOM 654 N ALA A 49 17.251 -20.917 21.785 1.00 0.00 N ATOM 655 CA ALA A 49 18.474 -20.701 21.017 1.00 0.00 C ATOM 0 H ALA A 49 17.395 -21.405 22.669 1.00 0.00 H new