USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -83:sc= 1.4 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 1.19 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.451 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0618 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -173:sc= 0.748 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 134:sc= 0.621 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.04) USER MOD Single : A 1 MET N :NH3+ -144:sc= 0.87 (180deg=0.234) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 14 THR OG1 : rot -86:sc= 0.265 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 25 ASN : amide:sc= 1 K(o=1,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0.705 (180deg=0.206!) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.03 K(o=1,f=-0.05) USER MOD Single : A 41 GLN : amide:sc= 0.837 K(o=0.84,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.471 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.992 52.670 19.196 1.00 0.00 N ATOM 2 CA MET A 1 33.204 52.197 20.572 1.00 0.00 C ATOM 3 C MET A 1 34.671 52.425 20.942 1.00 0.00 C ATOM 4 O MET A 1 35.530 52.273 20.076 1.00 0.00 O ATOM 5 CB MET A 1 32.742 50.751 20.735 1.00 0.00 C ATOM 6 CG MET A 1 32.615 50.263 22.175 1.00 0.00 C ATOM 7 SD MET A 1 34.130 49.600 22.911 1.00 0.00 S ATOM 8 CE MET A 1 34.010 47.864 22.410 1.00 0.00 C ATOM 0 H1 MET A 1 32.046 53.096 19.117 1.00 0.00 H new ATOM 0 H2 MET A 1 33.713 53.381 18.958 1.00 0.00 H new ATOM 0 H3 MET A 1 33.066 51.868 18.538 1.00 0.00 H new ATOM 0 HA MET A 1 32.593 52.766 21.273 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.775 50.639 20.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.443 50.102 20.210 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.265 51.091 22.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.846 49.491 22.212 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.825 47.298 22.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.056 47.454 22.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.076 47.793 21.324 1.00 0.00 H new ATOM 20 N GLN A 2 34.976 52.819 22.176 1.00 0.00 N ATOM 21 CA GLN A 2 36.292 53.257 22.594 1.00 0.00 C ATOM 22 C GLN A 2 36.919 52.327 23.635 1.00 0.00 C ATOM 23 O GLN A 2 36.240 51.926 24.578 1.00 0.00 O ATOM 24 CB GLN A 2 36.172 54.692 23.097 1.00 0.00 C ATOM 25 CG GLN A 2 37.507 55.309 23.505 1.00 0.00 C ATOM 26 CD GLN A 2 37.391 56.829 23.637 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.247 57.390 24.722 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.415 57.561 22.527 1.00 0.00 N ATOM 0 H GLN A 2 34.289 52.840 22.930 1.00 0.00 H new ATOM 0 HA GLN A 2 36.973 53.221 21.743 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.721 55.305 22.317 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.495 54.714 23.951 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.834 54.882 24.453 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.268 55.062 22.764 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.534 57.109 21.620 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.315 58.575 22.582 1.00 0.00 H new ATOM 37 N ILE A 3 38.213 52.047 23.514 1.00 0.00 N ATOM 38 CA ILE A 3 39.008 51.334 24.493 1.00 0.00 C ATOM 39 C ILE A 3 40.387 51.977 24.655 1.00 0.00 C ATOM 40 O ILE A 3 40.864 52.648 23.742 1.00 0.00 O ATOM 41 CB ILE A 3 39.137 49.846 24.181 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.832 49.580 22.848 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.784 49.148 24.275 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.088 48.106 22.549 1.00 0.00 C ATOM 0 H ILE A 3 38.753 52.325 22.695 1.00 0.00 H new ATOM 0 HA ILE A 3 38.474 51.411 25.440 1.00 0.00 H new ATOM 0 HB ILE A 3 39.786 49.415 24.944 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.225 50.000 22.046 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.784 50.110 22.837 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.905 48.089 24.048 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.386 49.260 25.284 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.093 49.596 23.561 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.585 48.012 21.583 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.723 47.682 23.327 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.139 47.570 22.523 1.00 0.00 H new ATOM 56 N PHE A 4 41.036 51.742 25.792 1.00 0.00 N ATOM 57 CA PHE A 4 42.337 52.280 26.132 1.00 0.00 C ATOM 58 C PHE A 4 43.393 51.186 26.303 1.00 0.00 C ATOM 59 O PHE A 4 43.150 50.191 26.982 1.00 0.00 O ATOM 60 CB PHE A 4 42.241 53.128 27.397 1.00 0.00 C ATOM 61 CG PHE A 4 41.170 54.193 27.388 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.328 55.340 26.599 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.031 54.051 28.188 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.346 56.336 26.611 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.055 55.055 28.208 1.00 0.00 C ATOM 66 CZ PHE A 4 39.209 56.200 27.417 1.00 0.00 C ATOM 0 H PHE A 4 40.650 51.148 26.526 1.00 0.00 H new ATOM 0 HA PHE A 4 42.657 52.906 25.299 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.063 52.466 28.244 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.205 53.608 27.565 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.207 55.455 25.982 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.904 53.165 28.792 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.465 57.215 25.995 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.182 54.946 28.835 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.455 56.974 27.428 1.00 0.00 H new ATOM 76 N VAL A 5 44.585 51.379 25.744 1.00 0.00 N ATOM 77 CA VAL A 5 45.695 50.453 25.848 1.00 0.00 C ATOM 78 C VAL A 5 46.924 51.133 26.451 1.00 0.00 C ATOM 79 O VAL A 5 47.447 52.090 25.882 1.00 0.00 O ATOM 80 CB VAL A 5 46.039 49.796 24.514 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.994 48.626 24.734 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.815 49.259 23.777 1.00 0.00 C ATOM 0 H VAL A 5 44.805 52.208 25.192 1.00 0.00 H new ATOM 0 HA VAL A 5 45.374 49.657 26.520 1.00 0.00 H new ATOM 0 HB VAL A 5 46.495 50.577 23.906 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.232 48.165 23.775 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.910 48.987 25.201 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.522 47.889 25.384 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.127 48.804 22.837 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.318 48.511 24.394 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.125 50.078 23.573 1.00 0.00 H new ATOM 92 N LYS A 6 47.397 50.644 27.594 1.00 0.00 N ATOM 93 CA LYS A 6 48.557 51.138 28.309 1.00 0.00 C ATOM 94 C LYS A 6 49.836 50.413 27.886 1.00 0.00 C ATOM 95 O LYS A 6 49.896 49.187 27.922 1.00 0.00 O ATOM 96 CB LYS A 6 48.302 51.083 29.812 1.00 0.00 C ATOM 97 CG LYS A 6 47.385 52.227 30.232 1.00 0.00 C ATOM 98 CD LYS A 6 47.000 52.146 31.707 1.00 0.00 C ATOM 99 CE LYS A 6 46.077 53.279 32.147 1.00 0.00 C ATOM 100 NZ LYS A 6 46.746 54.588 32.214 1.00 0.00 N ATOM 0 H LYS A 6 46.956 49.854 28.065 1.00 0.00 H new ATOM 0 HA LYS A 6 48.718 52.183 28.044 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.849 50.128 30.077 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.247 51.148 30.351 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.882 53.178 30.040 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.482 52.210 29.621 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.510 51.191 31.897 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.905 52.166 32.314 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.238 53.344 31.454 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.663 53.040 33.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.099 55.288 32.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.600 54.512 32.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.013 54.891 31.256 1.00 0.00 H new ATOM 114 N THR A 7 50.848 51.177 27.484 1.00 0.00 N ATOM 115 CA THR A 7 52.115 50.688 26.978 1.00 0.00 C ATOM 116 C THR A 7 53.153 50.506 28.087 1.00 0.00 C ATOM 117 O THR A 7 53.099 51.166 29.123 1.00 0.00 O ATOM 118 CB THR A 7 52.688 51.579 25.880 1.00 0.00 C ATOM 119 OG1 THR A 7 53.160 52.809 26.383 1.00 0.00 O ATOM 120 CG2 THR A 7 51.683 51.876 24.771 1.00 0.00 C ATOM 0 H THR A 7 50.800 52.196 27.505 1.00 0.00 H new ATOM 0 HA THR A 7 51.896 49.711 26.547 1.00 0.00 H new ATOM 0 HB THR A 7 53.518 51.006 25.465 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.519 53.347 25.647 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.148 52.514 24.019 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.366 50.942 24.308 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.816 52.385 25.192 1.00 0.00 H new ATOM 128 N LEU A 8 54.157 49.664 27.864 1.00 0.00 N ATOM 129 CA LEU A 8 55.255 49.436 28.782 1.00 0.00 C ATOM 130 C LEU A 8 56.080 50.693 29.065 1.00 0.00 C ATOM 131 O LEU A 8 56.649 50.839 30.145 1.00 0.00 O ATOM 132 CB LEU A 8 56.113 48.329 28.175 1.00 0.00 C ATOM 133 CG LEU A 8 57.235 47.799 29.063 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.696 47.188 30.353 1.00 0.00 C ATOM 135 CD2 LEU A 8 58.001 46.718 28.307 1.00 0.00 C ATOM 0 H LEU A 8 54.226 49.107 27.012 1.00 0.00 H new ATOM 0 HA LEU A 8 54.860 49.144 29.755 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.463 47.496 27.907 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.552 48.701 27.249 1.00 0.00 H new ATOM 0 HG LEU A 8 57.881 48.639 29.319 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.526 46.822 30.957 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.146 47.945 30.912 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.030 46.359 30.113 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.805 46.334 28.936 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.323 45.905 28.049 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.424 47.141 27.396 1.00 0.00 H new ATOM 147 N THR A 9 56.103 51.623 28.115 1.00 0.00 N ATOM 148 CA THR A 9 56.740 52.924 28.168 1.00 0.00 C ATOM 149 C THR A 9 55.813 54.042 28.649 1.00 0.00 C ATOM 150 O THR A 9 56.158 55.219 28.558 1.00 0.00 O ATOM 151 CB THR A 9 57.366 53.254 26.816 1.00 0.00 C ATOM 152 OG1 THR A 9 56.486 52.895 25.774 1.00 0.00 O ATOM 153 CG2 THR A 9 58.643 52.457 26.563 1.00 0.00 C ATOM 0 H THR A 9 55.639 51.469 27.220 1.00 0.00 H new ATOM 0 HA THR A 9 57.526 52.863 28.921 1.00 0.00 H new ATOM 0 HB THR A 9 57.579 54.323 26.836 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.896 53.112 24.911 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.052 52.725 25.589 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.374 52.685 27.339 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.416 51.391 26.580 1.00 0.00 H new ATOM 161 N GLY A 10 54.650 53.711 29.203 1.00 0.00 N ATOM 162 CA GLY A 10 53.846 54.609 30.008 1.00 0.00 C ATOM 163 C GLY A 10 52.921 55.564 29.251 1.00 0.00 C ATOM 164 O GLY A 10 52.523 56.585 29.807 1.00 0.00 O ATOM 0 H GLY A 10 54.235 52.785 29.098 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.237 54.008 30.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.517 55.204 30.628 1.00 0.00 H new ATOM 168 N LYS A 11 52.572 55.248 28.006 1.00 0.00 N ATOM 169 CA LYS A 11 51.558 55.927 27.225 1.00 0.00 C ATOM 170 C LYS A 11 50.207 55.223 27.368 1.00 0.00 C ATOM 171 O LYS A 11 50.171 54.005 27.533 1.00 0.00 O ATOM 172 CB LYS A 11 52.019 55.973 25.770 1.00 0.00 C ATOM 173 CG LYS A 11 51.193 56.903 24.884 1.00 0.00 C ATOM 174 CD LYS A 11 51.706 56.941 23.448 1.00 0.00 C ATOM 175 CE LYS A 11 53.119 57.512 23.353 1.00 0.00 C ATOM 176 NZ LYS A 11 53.517 57.714 21.952 1.00 0.00 N ATOM 0 H LYS A 11 53.010 54.479 27.499 1.00 0.00 H new ATOM 0 HA LYS A 11 51.423 56.946 27.588 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.061 56.291 25.740 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.981 54.965 25.356 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.153 56.576 24.887 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.212 57.910 25.301 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.695 55.933 23.034 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.031 57.543 22.839 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.168 58.460 23.888 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.821 56.835 23.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.481 58.103 21.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.492 56.804 21.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.859 58.379 21.497 1.00 0.00 H new ATOM 190 N THR A 12 49.104 55.956 27.244 1.00 0.00 N ATOM 191 CA THR A 12 47.771 55.402 27.121 1.00 0.00 C ATOM 192 C THR A 12 47.216 55.714 25.730 1.00 0.00 C ATOM 193 O THR A 12 46.851 56.847 25.428 1.00 0.00 O ATOM 194 CB THR A 12 46.864 55.897 28.243 1.00 0.00 C ATOM 195 OG1 THR A 12 47.409 55.576 29.503 1.00 0.00 O ATOM 196 CG2 THR A 12 45.499 55.214 28.208 1.00 0.00 C ATOM 0 H THR A 12 49.119 56.976 27.227 1.00 0.00 H new ATOM 0 HA THR A 12 47.815 54.318 27.227 1.00 0.00 H new ATOM 0 HB THR A 12 46.770 56.973 28.097 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.360 56.359 30.090 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.882 55.593 29.022 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.012 55.423 27.256 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.628 54.138 28.321 1.00 0.00 H new ATOM 204 N ILE A 13 47.183 54.703 24.865 1.00 0.00 N ATOM 205 CA ILE A 13 46.635 54.742 23.524 1.00 0.00 C ATOM 206 C ILE A 13 45.108 54.720 23.618 1.00 0.00 C ATOM 207 O ILE A 13 44.567 53.939 24.398 1.00 0.00 O ATOM 208 CB ILE A 13 47.132 53.555 22.704 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.648 53.383 22.740 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.666 53.664 21.255 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.148 52.079 22.126 1.00 0.00 C ATOM 0 H ILE A 13 47.561 53.785 25.101 1.00 0.00 H new ATOM 0 HA ILE A 13 46.962 55.654 23.024 1.00 0.00 H new ATOM 0 HB ILE A 13 46.697 52.671 23.170 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.109 54.219 22.214 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.983 53.435 23.776 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.032 52.807 20.690 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.577 53.681 21.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.056 54.582 20.815 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.235 52.038 22.193 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.719 51.235 22.666 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.847 52.031 21.079 1.00 0.00 H new ATOM 223 N THR A 14 44.408 55.512 22.810 1.00 0.00 N ATOM 224 CA THR A 14 42.967 55.469 22.669 1.00 0.00 C ATOM 225 C THR A 14 42.608 54.920 21.286 1.00 0.00 C ATOM 226 O THR A 14 43.054 55.465 20.278 1.00 0.00 O ATOM 227 CB THR A 14 42.333 56.841 22.878 1.00 0.00 C ATOM 228 OG1 THR A 14 42.668 57.347 24.150 1.00 0.00 O ATOM 229 CG2 THR A 14 40.809 56.773 22.837 1.00 0.00 C ATOM 0 H THR A 14 44.847 56.220 22.221 1.00 0.00 H new ATOM 0 HA THR A 14 42.569 54.811 23.441 1.00 0.00 H new ATOM 0 HB THR A 14 42.708 57.476 22.076 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.031 57.010 24.814 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.396 57.770 22.990 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.488 56.392 21.868 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.453 56.108 23.624 1.00 0.00 H new ATOM 237 N LEU A 15 41.808 53.861 21.226 1.00 0.00 N ATOM 238 CA LEU A 15 41.418 53.200 19.996 1.00 0.00 C ATOM 239 C LEU A 15 39.936 53.395 19.665 1.00 0.00 C ATOM 240 O LEU A 15 39.108 53.586 20.553 1.00 0.00 O ATOM 241 CB LEU A 15 41.770 51.717 20.058 1.00 0.00 C ATOM 242 CG LEU A 15 43.242 51.385 20.281 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.428 49.871 20.265 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.140 51.993 19.206 1.00 0.00 C ATOM 0 H LEU A 15 41.404 53.430 22.058 1.00 0.00 H new ATOM 0 HA LEU A 15 41.981 53.667 19.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.190 51.260 20.860 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.450 51.249 19.127 1.00 0.00 H new ATOM 0 HG LEU A 15 43.528 51.807 21.245 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.479 49.632 20.424 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.830 49.423 21.058 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.108 49.475 19.301 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.178 51.729 19.407 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.850 51.607 18.229 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.033 53.078 19.213 1.00 0.00 H new ATOM 256 N GLU A 16 39.589 53.285 18.385 1.00 0.00 N ATOM 257 CA GLU A 16 38.236 53.180 17.879 1.00 0.00 C ATOM 258 C GLU A 16 37.997 51.752 17.383 1.00 0.00 C ATOM 259 O GLU A 16 38.744 51.247 16.549 1.00 0.00 O ATOM 260 CB GLU A 16 38.051 54.223 16.780 1.00 0.00 C ATOM 261 CG GLU A 16 36.706 54.192 16.060 1.00 0.00 C ATOM 262 CD GLU A 16 35.563 54.764 16.902 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.490 56.004 17.037 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.694 53.990 17.359 1.00 0.00 O ATOM 0 H GLU A 16 40.285 53.266 17.640 1.00 0.00 H new ATOM 0 HA GLU A 16 37.500 53.379 18.658 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.186 55.212 17.217 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.841 54.090 16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.784 54.758 15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.470 53.163 15.788 1.00 0.00 H new ATOM 271 N VAL A 17 36.981 51.086 17.925 1.00 0.00 N ATOM 272 CA VAL A 17 36.679 49.680 17.745 1.00 0.00 C ATOM 273 C VAL A 17 35.171 49.431 17.682 1.00 0.00 C ATOM 274 O VAL A 17 34.365 50.338 17.877 1.00 0.00 O ATOM 275 CB VAL A 17 37.294 48.848 18.867 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.818 48.819 18.816 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.863 49.310 20.257 1.00 0.00 C ATOM 0 H VAL A 17 36.309 51.547 18.538 1.00 0.00 H new ATOM 0 HA VAL A 17 37.115 49.375 16.793 1.00 0.00 H new ATOM 0 HB VAL A 17 36.913 47.842 18.695 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.198 48.212 19.638 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.142 48.390 17.868 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.204 49.834 18.905 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.333 48.680 21.012 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.169 50.345 20.407 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.779 49.235 20.346 1.00 0.00 H new ATOM 287 N GLU A 18 34.779 48.183 17.441 1.00 0.00 N ATOM 288 CA GLU A 18 33.475 47.630 17.749 1.00 0.00 C ATOM 289 C GLU A 18 33.595 46.299 18.494 1.00 0.00 C ATOM 290 O GLU A 18 34.639 45.657 18.401 1.00 0.00 O ATOM 291 CB GLU A 18 32.650 47.478 16.474 1.00 0.00 C ATOM 292 CG GLU A 18 32.289 48.804 15.811 1.00 0.00 C ATOM 293 CD GLU A 18 31.092 48.616 14.878 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.972 49.007 15.270 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.253 48.049 13.775 1.00 0.00 O ATOM 0 H GLU A 18 35.398 47.500 17.003 1.00 0.00 H new ATOM 0 HA GLU A 18 32.958 48.324 18.411 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.206 46.867 15.763 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.732 46.938 16.708 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.053 49.548 16.572 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.142 49.183 15.249 1.00 0.00 H new ATOM 302 N PRO A 19 32.584 45.828 19.219 1.00 0.00 N ATOM 303 CA PRO A 19 32.668 44.645 20.050 1.00 0.00 C ATOM 304 C PRO A 19 33.091 43.344 19.365 1.00 0.00 C ATOM 305 O PRO A 19 33.540 42.422 20.043 1.00 0.00 O ATOM 306 CB PRO A 19 31.289 44.481 20.682 1.00 0.00 C ATOM 307 CG PRO A 19 30.761 45.912 20.744 1.00 0.00 C ATOM 308 CD PRO A 19 31.319 46.495 19.449 1.00 0.00 C ATOM 0 HA PRO A 19 33.474 44.811 20.765 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.644 43.840 20.081 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.351 44.031 21.673 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.672 45.947 20.774 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.122 46.445 21.624 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.633 46.326 18.619 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.457 47.573 19.535 1.00 0.00 H new ATOM 316 N SER A 20 32.957 43.245 18.045 1.00 0.00 N ATOM 317 CA SER A 20 33.356 42.096 17.258 1.00 0.00 C ATOM 318 C SER A 20 34.761 42.198 16.663 1.00 0.00 C ATOM 319 O SER A 20 35.150 41.318 15.898 1.00 0.00 O ATOM 320 CB SER A 20 32.349 41.804 16.149 1.00 0.00 C ATOM 321 OG SER A 20 31.016 41.881 16.601 1.00 0.00 O ATOM 0 H SER A 20 32.553 43.992 17.480 1.00 0.00 H new ATOM 0 HA SER A 20 33.376 41.268 17.967 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.495 42.512 15.333 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.536 40.809 15.745 1.00 0.00 H new ATOM 0 HG SER A 20 30.407 41.689 15.858 1.00 0.00 H new ATOM 327 N ASP A 21 35.534 43.236 16.973 1.00 0.00 N ATOM 328 CA ASP A 21 36.936 43.304 16.616 1.00 0.00 C ATOM 329 C ASP A 21 37.730 42.235 17.369 1.00 0.00 C ATOM 330 O ASP A 21 37.556 42.042 18.570 1.00 0.00 O ATOM 331 CB ASP A 21 37.522 44.687 16.885 1.00 0.00 C ATOM 332 CG ASP A 21 37.286 45.680 15.746 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.562 45.311 14.583 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.881 46.835 15.998 1.00 0.00 O ATOM 0 H ASP A 21 35.197 44.054 17.481 1.00 0.00 H new ATOM 0 HA ASP A 21 37.012 43.116 15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.086 45.086 17.801 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.594 44.592 17.057 1.00 0.00 H new ATOM 339 N THR A 22 38.613 41.545 16.653 1.00 0.00 N ATOM 340 CA THR A 22 39.505 40.547 17.208 1.00 0.00 C ATOM 341 C THR A 22 40.707 41.176 17.917 1.00 0.00 C ATOM 342 O THR A 22 41.033 42.338 17.688 1.00 0.00 O ATOM 343 CB THR A 22 39.978 39.562 16.144 1.00 0.00 C ATOM 344 OG1 THR A 22 40.561 40.262 15.067 1.00 0.00 O ATOM 345 CG2 THR A 22 38.829 38.713 15.609 1.00 0.00 C ATOM 0 H THR A 22 38.726 41.672 15.647 1.00 0.00 H new ATOM 0 HA THR A 22 38.927 40.000 17.952 1.00 0.00 H new ATOM 0 HB THR A 22 40.709 38.903 16.613 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.864 39.624 14.388 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.207 38.024 14.853 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.384 38.146 16.427 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.074 39.361 15.164 1.00 0.00 H new ATOM 353 N ILE A 23 41.438 40.416 18.729 1.00 0.00 N ATOM 354 CA ILE A 23 42.699 40.868 19.279 1.00 0.00 C ATOM 355 C ILE A 23 43.748 41.062 18.182 1.00 0.00 C ATOM 356 O ILE A 23 44.585 41.956 18.288 1.00 0.00 O ATOM 357 CB ILE A 23 43.169 39.945 20.400 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.125 39.763 21.498 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.496 40.390 21.005 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.686 41.020 22.242 1.00 0.00 C ATOM 0 H ILE A 23 41.169 39.476 19.019 1.00 0.00 H new ATOM 0 HA ILE A 23 42.547 41.849 19.729 1.00 0.00 H new ATOM 0 HB ILE A 23 43.321 38.976 19.924 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.241 39.304 21.054 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.519 39.056 22.228 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.784 39.699 21.797 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.264 40.397 20.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.389 41.393 21.419 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.943 40.756 22.995 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.549 41.475 22.728 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.252 41.728 21.536 1.00 0.00 H new ATOM 372 N GLU A 24 43.646 40.344 17.066 1.00 0.00 N ATOM 373 CA GLU A 24 44.383 40.641 15.855 1.00 0.00 C ATOM 374 C GLU A 24 44.057 42.036 15.320 1.00 0.00 C ATOM 375 O GLU A 24 44.971 42.789 14.992 1.00 0.00 O ATOM 376 CB GLU A 24 44.098 39.552 14.825 1.00 0.00 C ATOM 377 CG GLU A 24 44.963 39.584 13.569 1.00 0.00 C ATOM 378 CD GLU A 24 46.357 38.993 13.791 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.537 37.775 13.582 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.302 39.742 14.123 1.00 0.00 O ATOM 0 H GLU A 24 43.038 39.529 16.983 1.00 0.00 H new ATOM 0 HA GLU A 24 45.450 40.649 16.077 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.224 38.582 15.306 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.053 39.626 14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.462 39.031 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.061 40.614 13.227 1.00 0.00 H new ATOM 387 N ASN A 25 42.791 42.447 15.307 1.00 0.00 N ATOM 388 CA ASN A 25 42.408 43.800 14.959 1.00 0.00 C ATOM 389 C ASN A 25 42.891 44.835 15.977 1.00 0.00 C ATOM 390 O ASN A 25 43.296 45.925 15.579 1.00 0.00 O ATOM 391 CB ASN A 25 40.901 43.917 14.757 1.00 0.00 C ATOM 392 CG ASN A 25 40.335 43.111 13.586 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.024 42.390 12.869 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.030 43.227 13.354 1.00 0.00 N ATOM 0 H ASN A 25 42.003 41.842 15.540 1.00 0.00 H new ATOM 0 HA ASN A 25 42.906 44.021 14.015 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.402 43.597 15.672 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.651 44.968 14.608 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.602 42.717 12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.457 43.826 13.949 1.00 0.00 H new ATOM 401 N VAL A 26 42.919 44.527 17.271 1.00 0.00 N ATOM 402 CA VAL A 26 43.496 45.398 18.275 1.00 0.00 C ATOM 403 C VAL A 26 44.993 45.599 18.031 1.00 0.00 C ATOM 404 O VAL A 26 45.441 46.743 18.004 1.00 0.00 O ATOM 405 CB VAL A 26 43.206 44.919 19.695 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.855 45.809 20.750 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.710 44.913 19.999 1.00 0.00 C ATOM 0 H VAL A 26 42.538 43.659 17.648 1.00 0.00 H new ATOM 0 HA VAL A 26 43.012 46.370 18.178 1.00 0.00 H new ATOM 0 HB VAL A 26 43.617 43.911 19.740 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.619 45.427 21.743 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.936 45.811 20.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.474 46.826 20.653 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.547 44.566 21.019 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.313 45.922 19.892 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.200 44.247 19.303 1.00 0.00 H new ATOM 417 N LYS A 27 45.751 44.543 17.749 1.00 0.00 N ATOM 418 CA LYS A 27 47.141 44.633 17.350 1.00 0.00 C ATOM 419 C LYS A 27 47.332 45.473 16.085 1.00 0.00 C ATOM 420 O LYS A 27 48.230 46.311 16.040 1.00 0.00 O ATOM 421 CB LYS A 27 47.704 43.232 17.126 1.00 0.00 C ATOM 422 CG LYS A 27 48.002 42.444 18.398 1.00 0.00 C ATOM 423 CD LYS A 27 48.353 41.008 18.017 1.00 0.00 C ATOM 424 CE LYS A 27 49.133 40.267 19.099 1.00 0.00 C ATOM 425 NZ LYS A 27 49.409 38.892 18.654 1.00 0.00 N ATOM 0 H LYS A 27 45.404 43.585 17.794 1.00 0.00 H new ATOM 0 HA LYS A 27 47.679 45.131 18.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.995 42.664 16.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.622 43.315 16.545 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.828 42.903 18.941 1.00 0.00 H new ATOM 0 HG3 LYS A 27 47.137 42.458 19.062 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.434 40.462 17.803 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.940 41.017 17.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 50.068 40.787 19.308 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.562 40.252 20.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.291 38.556 19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.624 38.271 18.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.508 38.875 17.619 1.00 0.00 H new ATOM 439 N ALA A 28 46.466 45.309 15.090 1.00 0.00 N ATOM 440 CA ALA A 28 46.519 46.090 13.870 1.00 0.00 C ATOM 441 C ALA A 28 46.236 47.574 14.112 1.00 0.00 C ATOM 442 O ALA A 28 46.893 48.431 13.525 1.00 0.00 O ATOM 443 CB ALA A 28 45.544 45.501 12.855 1.00 0.00 C ATOM 0 H ALA A 28 45.707 44.627 15.112 1.00 0.00 H new ATOM 0 HA ALA A 28 47.534 46.037 13.476 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.580 46.085 11.935 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.821 44.469 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.534 45.528 13.263 1.00 0.00 H new ATOM 449 N LYS A 29 45.324 47.893 15.024 1.00 0.00 N ATOM 450 CA LYS A 29 45.005 49.244 15.440 1.00 0.00 C ATOM 451 C LYS A 29 46.111 49.882 16.282 1.00 0.00 C ATOM 452 O LYS A 29 46.324 51.087 16.173 1.00 0.00 O ATOM 453 CB LYS A 29 43.663 49.242 16.167 1.00 0.00 C ATOM 454 CG LYS A 29 42.492 49.073 15.204 1.00 0.00 C ATOM 455 CD LYS A 29 41.197 48.824 15.973 1.00 0.00 C ATOM 456 CE LYS A 29 39.998 48.603 15.055 1.00 0.00 C ATOM 457 NZ LYS A 29 39.623 49.829 14.334 1.00 0.00 N ATOM 0 H LYS A 29 44.769 47.188 15.509 1.00 0.00 H new ATOM 0 HA LYS A 29 44.928 49.866 14.548 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.649 48.435 16.900 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.548 50.175 16.718 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.389 49.966 14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.687 48.240 14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.323 47.952 16.615 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.998 49.674 16.625 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.231 47.817 14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.150 48.255 15.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.794 49.640 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.392 50.577 15.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.417 50.138 13.738 1.00 0.00 H new ATOM 471 N ILE A 30 46.857 49.094 17.053 1.00 0.00 N ATOM 472 CA ILE A 30 48.060 49.524 17.736 1.00 0.00 C ATOM 473 C ILE A 30 49.192 49.788 16.741 1.00 0.00 C ATOM 474 O ILE A 30 49.884 50.794 16.883 1.00 0.00 O ATOM 475 CB ILE A 30 48.441 48.530 18.830 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.411 48.558 19.956 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.829 48.810 19.399 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.481 47.351 20.886 1.00 0.00 C ATOM 0 H ILE A 30 46.629 48.114 17.220 1.00 0.00 H new ATOM 0 HA ILE A 30 47.865 50.475 18.233 1.00 0.00 H new ATOM 0 HB ILE A 30 48.458 47.541 18.373 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.553 49.466 20.543 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.413 48.612 19.521 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.059 48.079 20.174 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.570 48.739 18.603 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.851 49.812 19.827 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.719 47.443 21.660 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.308 46.440 20.313 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.466 47.306 21.351 1.00 0.00 H new ATOM 490 N GLN A 31 49.359 48.978 15.699 1.00 0.00 N ATOM 491 CA GLN A 31 50.282 49.285 14.626 1.00 0.00 C ATOM 492 C GLN A 31 49.884 50.568 13.893 1.00 0.00 C ATOM 493 O GLN A 31 50.741 51.400 13.604 1.00 0.00 O ATOM 494 CB GLN A 31 50.433 48.105 13.671 1.00 0.00 C ATOM 495 CG GLN A 31 51.655 48.293 12.775 1.00 0.00 C ATOM 496 CD GLN A 31 52.030 47.059 11.953 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.205 46.228 11.582 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.311 46.885 11.636 1.00 0.00 N ATOM 0 H GLN A 31 48.859 48.097 15.581 1.00 0.00 H new ATOM 0 HA GLN A 31 51.260 49.465 15.072 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.531 47.180 14.239 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.537 48.009 13.058 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.468 49.124 12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.506 48.574 13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.008 47.566 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.596 46.070 11.092 1.00 0.00 H new ATOM 507 N ASP A 32 48.596 50.785 13.648 1.00 0.00 N ATOM 508 CA ASP A 32 48.068 51.992 13.042 1.00 0.00 C ATOM 509 C ASP A 32 48.318 53.252 13.873 1.00 0.00 C ATOM 510 O ASP A 32 48.680 54.278 13.300 1.00 0.00 O ATOM 511 CB ASP A 32 46.583 51.766 12.768 1.00 0.00 C ATOM 512 CG ASP A 32 45.867 52.998 12.211 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.151 53.391 11.059 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.014 53.557 12.933 1.00 0.00 O ATOM 0 H ASP A 32 47.873 50.102 13.874 1.00 0.00 H new ATOM 0 HA ASP A 32 48.599 52.179 12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.474 50.943 12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.094 51.460 13.693 1.00 0.00 H new ATOM 519 N LYS A 33 48.200 53.197 15.195 1.00 0.00 N ATOM 520 CA LYS A 33 48.497 54.316 16.067 1.00 0.00 C ATOM 521 C LYS A 33 49.990 54.508 16.338 1.00 0.00 C ATOM 522 O LYS A 33 50.500 55.603 16.110 1.00 0.00 O ATOM 523 CB LYS A 33 47.725 54.250 17.381 1.00 0.00 C ATOM 524 CG LYS A 33 46.219 54.474 17.277 1.00 0.00 C ATOM 525 CD LYS A 33 45.781 55.768 16.598 1.00 0.00 C ATOM 526 CE LYS A 33 46.224 57.016 17.355 1.00 0.00 C ATOM 527 NZ LYS A 33 46.005 58.231 16.554 1.00 0.00 N ATOM 0 H LYS A 33 47.891 52.362 15.692 1.00 0.00 H new ATOM 0 HA LYS A 33 48.160 55.192 15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.898 53.274 17.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.138 54.995 18.061 1.00 0.00 H new ATOM 0 HG2 LYS A 33 45.784 53.636 16.733 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.798 54.454 18.282 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.189 55.798 15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.695 55.773 16.503 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.672 57.091 18.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.280 56.933 17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.315 59.064 17.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.551 58.168 15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.993 58.321 16.330 1.00 0.00 H new ATOM 541 N GLU A 34 50.705 53.484 16.799 1.00 0.00 N ATOM 542 CA GLU A 34 52.021 53.605 17.392 1.00 0.00 C ATOM 543 C GLU A 34 53.119 52.853 16.638 1.00 0.00 C ATOM 544 O GLU A 34 54.292 52.962 16.988 1.00 0.00 O ATOM 545 CB GLU A 34 51.936 53.161 18.850 1.00 0.00 C ATOM 546 CG GLU A 34 51.118 54.088 19.744 1.00 0.00 C ATOM 547 CD GLU A 34 51.746 55.474 19.904 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.086 56.493 19.610 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.910 55.553 20.352 1.00 0.00 O ATOM 0 H GLU A 34 50.368 52.522 16.766 1.00 0.00 H new ATOM 0 HA GLU A 34 52.319 54.652 17.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.501 52.162 18.888 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.946 53.085 19.253 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.117 54.195 19.327 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.007 53.630 20.727 1.00 0.00 H new ATOM 556 N GLY A 35 52.774 52.101 15.596 1.00 0.00 N ATOM 557 CA GLY A 35 53.732 51.466 14.713 1.00 0.00 C ATOM 558 C GLY A 35 54.343 50.159 15.222 1.00 0.00 C ATOM 559 O GLY A 35 55.318 49.701 14.630 1.00 0.00 O ATOM 0 H GLY A 35 51.803 51.916 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.243 51.269 13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.540 52.171 14.518 1.00 0.00 H new ATOM 563 N ILE A 36 53.803 49.551 16.274 1.00 0.00 N ATOM 564 CA ILE A 36 54.292 48.327 16.873 1.00 0.00 C ATOM 565 C ILE A 36 53.771 47.125 16.082 1.00 0.00 C ATOM 566 O ILE A 36 52.554 47.022 15.943 1.00 0.00 O ATOM 567 CB ILE A 36 53.886 48.225 18.341 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.184 49.490 19.141 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.581 47.021 18.970 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.673 49.472 20.578 1.00 0.00 C ATOM 0 H ILE A 36 52.978 49.919 16.748 1.00 0.00 H new ATOM 0 HA ILE A 36 55.381 48.335 16.837 1.00 0.00 H new ATOM 0 HB ILE A 36 52.804 48.099 18.371 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.262 49.649 19.155 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.743 50.342 18.624 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.295 46.943 20.019 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.284 46.114 18.444 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.661 47.145 18.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.931 50.411 21.068 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.590 49.348 20.578 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.133 48.644 21.117 1.00 0.00 H new ATOM 582 N PRO A 37 54.599 46.207 15.591 1.00 0.00 N ATOM 583 CA PRO A 37 54.129 45.078 14.813 1.00 0.00 C ATOM 584 C PRO A 37 53.299 44.058 15.597 1.00 0.00 C ATOM 585 O PRO A 37 53.591 43.827 16.769 1.00 0.00 O ATOM 586 CB PRO A 37 55.365 44.415 14.213 1.00 0.00 C ATOM 587 CG PRO A 37 56.420 45.518 14.237 1.00 0.00 C ATOM 588 CD PRO A 37 56.041 46.301 15.489 1.00 0.00 C ATOM 0 HA PRO A 37 53.442 45.451 14.053 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.678 43.550 14.797 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.177 44.063 13.198 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.430 45.114 14.300 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.381 46.138 13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.524 45.883 16.373 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.361 47.340 15.412 1.00 0.00 H new ATOM 596 N PRO A 38 52.316 43.397 14.996 1.00 0.00 N ATOM 597 CA PRO A 38 51.475 42.412 15.647 1.00 0.00 C ATOM 598 C PRO A 38 52.205 41.239 16.303 1.00 0.00 C ATOM 599 O PRO A 38 51.825 40.858 17.407 1.00 0.00 O ATOM 600 CB PRO A 38 50.504 41.918 14.579 1.00 0.00 C ATOM 601 CG PRO A 38 50.350 43.133 13.669 1.00 0.00 C ATOM 602 CD PRO A 38 51.739 43.764 13.718 1.00 0.00 C ATOM 0 HA PRO A 38 50.982 42.894 16.491 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.900 41.057 14.040 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.551 41.613 15.010 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.070 42.847 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.582 43.816 14.031 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.357 43.404 12.896 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.676 44.848 13.618 1.00 0.00 H new ATOM 610 N ASP A 39 53.256 40.695 15.696 1.00 0.00 N ATOM 611 CA ASP A 39 54.035 39.627 16.290 1.00 0.00 C ATOM 612 C ASP A 39 55.082 40.074 17.312 1.00 0.00 C ATOM 613 O ASP A 39 55.816 39.234 17.829 1.00 0.00 O ATOM 614 CB ASP A 39 54.540 38.619 15.262 1.00 0.00 C ATOM 615 CG ASP A 39 55.725 39.021 14.382 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.780 38.545 13.227 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.661 39.715 14.834 1.00 0.00 O ATOM 0 H ASP A 39 53.587 40.987 14.777 1.00 0.00 H new ATOM 0 HA ASP A 39 53.324 39.079 16.908 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.814 37.708 15.794 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.707 38.366 14.605 1.00 0.00 H new ATOM 622 N GLN A 40 55.131 41.356 17.662 1.00 0.00 N ATOM 623 CA GLN A 40 56.044 41.936 18.627 1.00 0.00 C ATOM 624 C GLN A 40 55.340 42.454 19.882 1.00 0.00 C ATOM 625 O GLN A 40 55.839 43.356 20.550 1.00 0.00 O ATOM 626 CB GLN A 40 56.885 43.009 17.941 1.00 0.00 C ATOM 627 CG GLN A 40 57.744 42.495 16.789 1.00 0.00 C ATOM 628 CD GLN A 40 58.767 41.454 17.246 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.628 41.719 18.080 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.698 40.224 16.745 1.00 0.00 N ATOM 0 H GLN A 40 54.501 42.048 17.257 1.00 0.00 H new ATOM 0 HA GLN A 40 56.706 41.149 18.988 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.222 43.788 17.564 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.534 43.474 18.683 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.100 42.058 16.026 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.264 43.333 16.325 1.00 0.00 H new ATOM 0 HE21 GLN A 40 57.986 39.995 16.052 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.357 39.510 17.054 1.00 0.00 H new ATOM 639 N GLN A 41 54.161 41.924 20.197 1.00 0.00 N ATOM 640 CA GLN A 41 53.338 42.309 21.327 1.00 0.00 C ATOM 641 C GLN A 41 52.370 41.204 21.750 1.00 0.00 C ATOM 642 O GLN A 41 51.903 40.436 20.911 1.00 0.00 O ATOM 643 CB GLN A 41 52.584 43.590 20.985 1.00 0.00 C ATOM 644 CG GLN A 41 51.541 43.409 19.885 1.00 0.00 C ATOM 645 CD GLN A 41 50.999 44.730 19.336 1.00 0.00 C ATOM 646 OE1 GLN A 41 50.034 45.301 19.839 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.587 45.249 18.263 1.00 0.00 N ATOM 0 H GLN A 41 53.739 41.180 19.642 1.00 0.00 H new ATOM 0 HA GLN A 41 53.995 42.483 22.179 1.00 0.00 H new ATOM 0 HB2 GLN A 41 52.092 43.963 21.883 1.00 0.00 H new ATOM 0 HB3 GLN A 41 53.300 44.351 20.674 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.982 42.838 19.068 1.00 0.00 H new ATOM 0 HG3 GLN A 41 50.712 42.819 20.275 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.388 44.778 17.843 1.00 0.00 H new ATOM 0 HE22 GLN A 41 51.237 46.118 17.860 1.00 0.00 H new ATOM 656 N ARG A 42 51.990 41.164 23.023 1.00 0.00 N ATOM 657 CA ARG A 42 50.798 40.520 23.537 1.00 0.00 C ATOM 658 C ARG A 42 50.091 41.424 24.548 1.00 0.00 C ATOM 659 O ARG A 42 50.707 42.345 25.079 1.00 0.00 O ATOM 660 CB ARG A 42 51.117 39.148 24.126 1.00 0.00 C ATOM 661 CG ARG A 42 50.961 38.038 23.091 1.00 0.00 C ATOM 662 CD ARG A 42 51.203 36.644 23.663 1.00 0.00 C ATOM 663 NE ARG A 42 50.342 35.653 23.016 1.00 0.00 N ATOM 664 CZ ARG A 42 50.566 34.892 21.936 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.705 34.914 21.232 1.00 0.00 N ATOM 666 NH2 ARG A 42 49.587 34.071 21.530 1.00 0.00 N ATOM 0 H ARG A 42 52.539 41.606 23.760 1.00 0.00 H new ATOM 0 HA ARG A 42 50.114 40.355 22.705 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.137 39.146 24.511 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.457 38.953 24.971 1.00 0.00 H new ATOM 0 HG2 ARG A 42 49.957 38.081 22.670 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.658 38.214 22.272 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.248 36.367 23.525 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.013 36.650 24.736 1.00 0.00 H new ATOM 0 HE ARG A 42 49.431 35.521 23.455 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.464 35.536 21.510 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.813 34.309 20.418 1.00 0.00 H new ATOM 0 HH21 ARG A 42 48.704 34.039 22.040 1.00 0.00 H new ATOM 0 HH22 ARG A 42 49.725 33.478 20.711 1.00 0.00 H new ATOM 680 N LEU A 43 48.813 41.172 24.816 1.00 0.00 N ATOM 681 CA LEU A 43 47.970 42.002 25.653 1.00 0.00 C ATOM 682 C LEU A 43 47.315 41.217 26.792 1.00 0.00 C ATOM 683 O LEU A 43 47.024 40.031 26.648 1.00 0.00 O ATOM 684 CB LEU A 43 46.923 42.690 24.782 1.00 0.00 C ATOM 685 CG LEU A 43 47.480 43.636 23.722 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.350 44.133 22.824 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.169 44.856 24.325 1.00 0.00 C ATOM 0 H LEU A 43 48.326 40.358 24.442 1.00 0.00 H new ATOM 0 HA LEU A 43 48.600 42.753 26.131 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.327 41.925 24.286 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.248 43.251 25.428 1.00 0.00 H new ATOM 0 HG LEU A 43 48.217 43.066 23.156 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.755 44.808 22.070 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.875 43.284 22.333 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.613 44.663 23.427 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.546 45.494 23.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.455 45.416 24.929 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.999 44.532 24.952 1.00 0.00 H new ATOM 699 N ILE A 44 47.069 41.893 27.910 1.00 0.00 N ATOM 700 CA ILE A 44 46.446 41.360 29.104 1.00 0.00 C ATOM 701 C ILE A 44 45.346 42.284 29.632 1.00 0.00 C ATOM 702 O ILE A 44 45.499 43.503 29.668 1.00 0.00 O ATOM 703 CB ILE A 44 47.508 40.997 30.137 1.00 0.00 C ATOM 704 CG1 ILE A 44 47.011 40.185 31.330 1.00 0.00 C ATOM 705 CG2 ILE A 44 48.370 42.177 30.578 1.00 0.00 C ATOM 706 CD1 ILE A 44 46.463 40.944 32.535 1.00 0.00 C ATOM 0 H ILE A 44 47.314 42.878 28.006 1.00 0.00 H new ATOM 0 HA ILE A 44 45.931 40.433 28.854 1.00 0.00 H new ATOM 0 HB ILE A 44 48.155 40.319 29.580 1.00 0.00 H new ATOM 0 HG12 ILE A 44 46.229 39.514 30.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 47.835 39.560 31.675 1.00 0.00 H new ATOM 0 HG21 ILE A 44 49.101 41.839 31.313 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.889 42.591 29.714 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.736 42.944 31.023 1.00 0.00 H new ATOM 0 HD11 ILE A 44 46.150 40.234 33.300 1.00 0.00 H new ATOM 0 HD12 ILE A 44 47.239 41.594 32.939 1.00 0.00 H new ATOM 0 HD13 ILE A 44 45.608 41.547 32.227 1.00 0.00 H new ATOM 718 N PHE A 45 44.230 41.691 30.045 1.00 0.00 N ATOM 719 CA PHE A 45 43.135 42.351 30.726 1.00 0.00 C ATOM 720 C PHE A 45 42.440 41.395 31.698 1.00 0.00 C ATOM 721 O PHE A 45 42.228 40.235 31.351 1.00 0.00 O ATOM 722 CB PHE A 45 42.129 42.862 29.699 1.00 0.00 C ATOM 723 CG PHE A 45 40.932 43.569 30.289 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.096 44.774 30.982 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.650 43.019 30.161 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.990 45.429 31.537 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.542 43.680 30.703 1.00 0.00 C ATOM 728 CZ PHE A 45 38.708 44.883 31.398 1.00 0.00 C ATOM 0 H PHE A 45 44.063 40.695 29.905 1.00 0.00 H new ATOM 0 HA PHE A 45 43.537 43.188 31.297 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.639 43.545 29.019 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.779 42.020 29.102 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.082 45.201 31.089 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.516 42.081 29.642 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.126 46.357 32.073 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.554 43.260 30.584 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.853 45.387 31.824 1.00 0.00 H new ATOM 738 N ALA A 46 42.051 41.862 32.882 1.00 0.00 N ATOM 739 CA ALA A 46 41.220 41.133 33.818 1.00 0.00 C ATOM 740 C ALA A 46 41.686 39.707 34.116 1.00 0.00 C ATOM 741 O ALA A 46 40.893 38.768 34.112 1.00 0.00 O ATOM 742 CB ALA A 46 39.764 41.249 33.375 1.00 0.00 C ATOM 0 H ALA A 46 42.317 42.787 33.220 1.00 0.00 H new ATOM 0 HA ALA A 46 41.320 41.600 34.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.127 40.704 34.072 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.471 42.299 33.360 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.653 40.827 32.376 1.00 0.00 H new ATOM 748 N GLY A 47 42.983 39.508 34.338 1.00 0.00 N ATOM 749 CA GLY A 47 43.593 38.221 34.601 1.00 0.00 C ATOM 750 C GLY A 47 43.686 37.276 33.402 1.00 0.00 C ATOM 751 O GLY A 47 43.983 36.097 33.580 1.00 0.00 O ATOM 0 H GLY A 47 43.658 40.273 34.338 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.598 38.388 34.988 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.026 37.725 35.389 1.00 0.00 H new ATOM 755 N LYS A 48 43.422 37.751 32.187 1.00 0.00 N ATOM 756 CA LYS A 48 43.341 36.969 30.971 1.00 0.00 C ATOM 757 C LYS A 48 44.349 37.483 29.941 1.00 0.00 C ATOM 758 O LYS A 48 44.296 38.646 29.546 1.00 0.00 O ATOM 759 CB LYS A 48 41.911 36.998 30.440 1.00 0.00 C ATOM 760 CG LYS A 48 40.934 36.310 31.389 1.00 0.00 C ATOM 761 CD LYS A 48 39.462 36.601 31.107 1.00 0.00 C ATOM 762 CE LYS A 48 39.126 38.076 31.306 1.00 0.00 C ATOM 763 NZ LYS A 48 37.683 38.275 31.506 1.00 0.00 N ATOM 0 H LYS A 48 43.251 38.743 32.023 1.00 0.00 H new ATOM 0 HA LYS A 48 43.599 35.931 31.181 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.602 38.032 30.288 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.876 36.509 29.467 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.094 35.233 31.336 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.162 36.617 32.410 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.224 36.309 30.084 1.00 0.00 H new ATOM 0 HD3 LYS A 48 38.839 35.995 31.765 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.671 38.462 32.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.457 38.646 30.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.487 39.288 31.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.166 37.928 30.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.374 37.750 32.349 1.00 0.00 H new ATOM 777 N GLN A 49 45.254 36.620 29.489 1.00 0.00 N ATOM 778 CA GLN A 49 46.131 36.889 28.368 1.00 0.00 C ATOM 779 C GLN A 49 45.356 36.670 27.067 1.00 0.00 C ATOM 780 O GLN A 49 44.786 35.601 26.862 1.00 0.00 O ATOM 781 CB GLN A 49 47.370 36.005 28.474 1.00 0.00 C ATOM 782 CG GLN A 49 48.439 36.396 27.457 1.00 0.00 C ATOM 783 CD GLN A 49 49.606 35.407 27.459 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.637 35.615 28.096 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.494 34.300 26.731 1.00 0.00 N ATOM 0 H GLN A 49 45.396 35.699 29.903 1.00 0.00 H new ATOM 0 HA GLN A 49 46.473 37.924 28.376 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.783 36.078 29.480 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.087 34.964 28.320 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.997 36.437 26.461 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.809 37.396 27.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.641 34.122 26.201 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.261 33.628 26.703 1.00 0.00 H new ATOM 794 N LEU A 50 45.309 37.675 26.197 1.00 0.00 N ATOM 795 CA LEU A 50 44.318 37.769 25.144 1.00 0.00 C ATOM 796 C LEU A 50 44.771 37.110 23.839 1.00 0.00 C ATOM 797 O LEU A 50 45.899 37.310 23.393 1.00 0.00 O ATOM 798 CB LEU A 50 43.896 39.225 24.979 1.00 0.00 C ATOM 799 CG LEU A 50 43.515 39.975 26.252 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.124 41.412 25.918 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.351 39.331 27.000 1.00 0.00 C ATOM 0 H LEU A 50 45.968 38.453 26.209 1.00 0.00 H new ATOM 0 HA LEU A 50 43.439 37.195 25.437 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.712 39.764 24.498 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.046 39.258 24.297 1.00 0.00 H new ATOM 0 HG LEU A 50 44.394 39.943 26.896 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.854 41.938 26.834 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.966 41.917 25.444 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.273 41.409 25.237 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.128 39.911 27.896 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.472 39.308 26.355 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.620 38.314 27.284 1.00 0.00 H new ATOM 813 N GLU A 51 43.907 36.308 23.222 1.00 0.00 N ATOM 814 CA GLU A 51 44.190 35.521 22.039 1.00 0.00 C ATOM 815 C GLU A 51 43.710 36.164 20.737 1.00 0.00 C ATOM 816 O GLU A 51 42.603 36.693 20.659 1.00 0.00 O ATOM 817 CB GLU A 51 43.580 34.127 22.150 1.00 0.00 C ATOM 818 CG GLU A 51 44.203 33.264 23.244 1.00 0.00 C ATOM 819 CD GLU A 51 43.594 31.861 23.296 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.219 31.409 24.400 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.520 31.180 22.251 1.00 0.00 O ATOM 0 H GLU A 51 42.950 36.188 23.553 1.00 0.00 H new ATOM 0 HA GLU A 51 45.277 35.461 21.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.511 34.223 22.341 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.688 33.617 21.193 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.277 33.185 23.074 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.068 33.752 24.209 1.00 0.00 H new ATOM 828 N ASP A 52 44.505 36.034 19.679 1.00 0.00 N ATOM 829 CA ASP A 52 44.272 36.631 18.379 1.00 0.00 C ATOM 830 C ASP A 52 42.991 36.136 17.706 1.00 0.00 C ATOM 831 O ASP A 52 42.352 36.889 16.974 1.00 0.00 O ATOM 832 CB ASP A 52 45.471 36.377 17.470 1.00 0.00 C ATOM 833 CG ASP A 52 46.759 37.092 17.883 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.780 36.881 17.194 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.798 37.880 18.854 1.00 0.00 O ATOM 0 H ASP A 52 45.364 35.485 19.711 1.00 0.00 H new ATOM 0 HA ASP A 52 44.143 37.701 18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.663 35.304 17.438 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.211 36.685 16.457 1.00 0.00 H new ATOM 840 N GLY A 53 42.582 34.897 17.967 1.00 0.00 N ATOM 841 CA GLY A 53 41.348 34.282 17.520 1.00 0.00 C ATOM 842 C GLY A 53 40.123 34.555 18.396 1.00 0.00 C ATOM 843 O GLY A 53 39.155 33.800 18.322 1.00 0.00 O ATOM 0 H GLY A 53 43.144 34.261 18.533 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.135 34.629 16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.499 33.204 17.462 1.00 0.00 H new ATOM 847 N ARG A 54 40.157 35.581 19.240 1.00 0.00 N ATOM 848 CA ARG A 54 39.062 36.038 20.072 1.00 0.00 C ATOM 849 C ARG A 54 38.823 37.542 19.934 1.00 0.00 C ATOM 850 O ARG A 54 39.661 38.259 19.393 1.00 0.00 O ATOM 851 CB ARG A 54 39.329 35.652 21.524 1.00 0.00 C ATOM 852 CG ARG A 54 39.298 34.151 21.796 1.00 0.00 C ATOM 853 CD ARG A 54 37.929 33.553 21.488 1.00 0.00 C ATOM 854 NE ARG A 54 37.865 32.144 21.878 1.00 0.00 N ATOM 855 CZ ARG A 54 38.161 31.088 21.110 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.656 31.206 19.871 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.964 29.853 21.591 1.00 0.00 N ATOM 0 H ARG A 54 40.999 36.144 19.365 1.00 0.00 H new ATOM 0 HA ARG A 54 38.149 35.548 19.733 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.304 36.041 21.817 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.588 36.139 22.158 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.057 33.655 21.191 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.551 33.964 22.840 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.158 34.114 22.015 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.720 33.648 20.422 1.00 0.00 H new ATOM 0 HE ARG A 54 37.564 31.946 22.832 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.823 32.131 19.474 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.866 30.371 19.324 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.592 29.726 22.532 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.186 29.040 21.016 1.00 0.00 H new ATOM 871 N THR A 55 37.672 38.009 20.413 1.00 0.00 N ATOM 872 CA THR A 55 37.196 39.372 20.295 1.00 0.00 C ATOM 873 C THR A 55 37.088 40.114 21.630 1.00 0.00 C ATOM 874 O THR A 55 37.126 39.515 22.702 1.00 0.00 O ATOM 875 CB THR A 55 35.843 39.441 19.593 1.00 0.00 C ATOM 876 OG1 THR A 55 34.871 38.739 20.335 1.00 0.00 O ATOM 877 CG2 THR A 55 35.857 38.875 18.176 1.00 0.00 C ATOM 0 H THR A 55 37.018 37.411 20.918 1.00 0.00 H new ATOM 0 HA THR A 55 37.959 39.871 19.697 1.00 0.00 H new ATOM 0 HB THR A 55 35.603 40.502 19.526 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.927 37.783 20.125 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.861 38.958 17.741 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.567 39.435 17.567 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.153 37.826 18.206 1.00 0.00 H new ATOM 885 N LEU A 56 36.886 41.426 21.559 1.00 0.00 N ATOM 886 CA LEU A 56 36.536 42.248 22.700 1.00 0.00 C ATOM 887 C LEU A 56 35.315 41.697 23.440 1.00 0.00 C ATOM 888 O LEU A 56 35.367 41.542 24.658 1.00 0.00 O ATOM 889 CB LEU A 56 36.298 43.683 22.238 1.00 0.00 C ATOM 890 CG LEU A 56 37.500 44.364 21.590 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.099 45.769 21.148 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.689 44.487 22.540 1.00 0.00 C ATOM 0 H LEU A 56 36.964 41.952 20.689 1.00 0.00 H new ATOM 0 HA LEU A 56 37.366 42.233 23.407 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.472 43.687 21.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.983 44.277 23.096 1.00 0.00 H new ATOM 0 HG LEU A 56 37.803 43.745 20.745 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.953 46.262 20.684 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.282 45.705 20.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.775 46.345 22.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.515 44.979 22.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.400 45.077 23.410 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.002 43.494 22.862 1.00 0.00 H new ATOM 904 N SER A 57 34.260 41.325 22.720 1.00 0.00 N ATOM 905 CA SER A 57 33.070 40.735 23.300 1.00 0.00 C ATOM 906 C SER A 57 33.261 39.317 23.845 1.00 0.00 C ATOM 907 O SER A 57 32.619 38.980 24.836 1.00 0.00 O ATOM 908 CB SER A 57 31.893 40.786 22.330 1.00 0.00 C ATOM 909 OG SER A 57 32.227 40.258 21.066 1.00 0.00 O ATOM 0 H SER A 57 34.213 41.428 21.706 1.00 0.00 H new ATOM 0 HA SER A 57 32.847 41.355 24.168 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.055 40.227 22.747 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.562 41.818 22.216 1.00 0.00 H new ATOM 0 HG SER A 57 32.691 40.941 20.538 1.00 0.00 H new ATOM 915 N ASP A 58 34.161 38.503 23.303 1.00 0.00 N ATOM 916 CA ASP A 58 34.517 37.224 23.884 1.00 0.00 C ATOM 917 C ASP A 58 35.090 37.355 25.296 1.00 0.00 C ATOM 918 O ASP A 58 34.833 36.499 26.140 1.00 0.00 O ATOM 919 CB ASP A 58 35.526 36.471 23.021 1.00 0.00 C ATOM 920 CG ASP A 58 34.943 35.883 21.735 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.972 35.100 21.815 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.498 36.161 20.651 1.00 0.00 O ATOM 0 H ASP A 58 34.664 38.719 22.442 1.00 0.00 H new ATOM 0 HA ASP A 58 33.584 36.663 23.935 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.340 37.148 22.760 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.960 35.664 23.611 1.00 0.00 H new ATOM 927 N TYR A 59 35.816 38.435 25.571 1.00 0.00 N ATOM 928 CA TYR A 59 36.395 38.753 26.861 1.00 0.00 C ATOM 929 C TYR A 59 35.603 39.775 27.679 1.00 0.00 C ATOM 930 O TYR A 59 36.081 40.222 28.720 1.00 0.00 O ATOM 931 CB TYR A 59 37.849 39.170 26.661 1.00 0.00 C ATOM 932 CG TYR A 59 38.761 38.113 26.086 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.995 36.930 26.796 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.416 38.344 24.870 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.894 35.977 26.302 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.336 37.410 24.379 1.00 0.00 C ATOM 937 CZ TYR A 59 40.578 36.220 25.094 1.00 0.00 C ATOM 938 OH TYR A 59 41.488 35.322 24.619 1.00 0.00 O ATOM 0 H TYR A 59 36.023 39.141 24.864 1.00 0.00 H new ATOM 0 HA TYR A 59 36.350 37.850 27.470 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.871 40.039 26.004 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.252 39.487 27.623 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.480 36.751 27.728 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.211 39.244 24.310 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.063 35.059 26.845 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.859 37.601 23.454 1.00 0.00 H new ATOM 0 HH TYR A 59 41.236 34.419 24.905 1.00 0.00 H new ATOM 948 N ASN A 60 34.400 40.150 27.256 1.00 0.00 N ATOM 949 CA ASN A 60 33.554 41.135 27.899 1.00 0.00 C ATOM 950 C ASN A 60 34.192 42.515 28.078 1.00 0.00 C ATOM 951 O ASN A 60 33.949 43.203 29.066 1.00 0.00 O ATOM 952 CB ASN A 60 32.910 40.560 29.158 1.00 0.00 C ATOM 953 CG ASN A 60 32.085 39.307 28.859 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.985 39.367 28.312 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.588 38.124 29.200 1.00 0.00 N ATOM 0 H ASN A 60 33.974 39.755 26.418 1.00 0.00 H new ATOM 0 HA ASN A 60 32.744 41.352 27.202 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.686 40.318 29.884 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.270 41.315 29.615 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.062 37.272 29.008 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.500 38.069 29.654 1.00 0.00 H new ATOM 962 N ILE A 61 35.029 42.941 27.136 1.00 0.00 N ATOM 963 CA ILE A 61 35.723 44.213 27.148 1.00 0.00 C ATOM 964 C ILE A 61 34.788 45.298 26.612 1.00 0.00 C ATOM 965 O ILE A 61 34.788 45.614 25.425 1.00 0.00 O ATOM 966 CB ILE A 61 37.052 44.135 26.402 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.908 42.977 26.907 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.817 45.447 26.548 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.251 42.788 26.208 1.00 0.00 C ATOM 0 H ILE A 61 35.247 42.381 26.312 1.00 0.00 H new ATOM 0 HA ILE A 61 35.988 44.478 28.172 1.00 0.00 H new ATOM 0 HB ILE A 61 36.832 43.960 25.349 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.092 43.123 27.971 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.335 42.055 26.806 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.763 45.378 26.011 1.00 0.00 H new ATOM 0 HG22 ILE A 61 37.224 46.262 26.134 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.012 45.639 27.603 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.773 41.938 26.647 1.00 0.00 H new ATOM 0 HD12 ILE A 61 39.086 42.603 25.147 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.854 43.687 26.330 1.00 0.00 H new ATOM 981 N GLN A 62 33.948 45.837 27.492 1.00 0.00 N ATOM 982 CA GLN A 62 33.011 46.906 27.212 1.00 0.00 C ATOM 983 C GLN A 62 33.685 48.256 26.955 1.00 0.00 C ATOM 984 O GLN A 62 34.882 48.415 27.186 1.00 0.00 O ATOM 985 CB GLN A 62 32.007 46.993 28.358 1.00 0.00 C ATOM 986 CG GLN A 62 32.638 47.401 29.686 1.00 0.00 C ATOM 987 CD GLN A 62 31.606 47.566 30.804 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.185 48.670 31.142 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.166 46.487 31.444 1.00 0.00 N ATOM 0 H GLN A 62 33.905 45.522 28.461 1.00 0.00 H new ATOM 0 HA GLN A 62 32.497 46.665 26.282 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.230 47.712 28.097 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.519 46.026 28.478 1.00 0.00 H new ATOM 0 HG2 GLN A 62 33.371 46.650 29.981 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.178 48.339 29.554 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.504 45.562 31.177 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.490 46.584 32.202 1.00 0.00 H new ATOM 998 N LYS A 63 32.907 49.254 26.550 1.00 0.00 N ATOM 999 CA LYS A 63 33.339 50.624 26.361 1.00 0.00 C ATOM 1000 C LYS A 63 34.155 51.209 27.516 1.00 0.00 C ATOM 1001 O LYS A 63 33.906 50.949 28.691 1.00 0.00 O ATOM 1002 CB LYS A 63 32.144 51.513 26.030 1.00 0.00 C ATOM 1003 CG LYS A 63 31.060 51.568 27.102 1.00 0.00 C ATOM 1004 CD LYS A 63 29.953 52.537 26.694 1.00 0.00 C ATOM 1005 CE LYS A 63 28.704 52.414 27.563 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.952 52.754 28.973 1.00 0.00 N ATOM 0 H LYS A 63 31.919 49.119 26.337 1.00 0.00 H new ATOM 0 HA LYS A 63 34.030 50.600 25.519 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.504 52.526 25.847 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.696 51.162 25.100 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.642 50.573 27.256 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.494 51.882 28.051 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.331 53.558 26.753 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.684 52.356 25.653 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.927 53.068 27.168 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.324 51.394 27.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.070 52.653 29.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.673 52.114 29.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.288 53.736 29.039 1.00 0.00 H new ATOM 1020 N GLU A 64 35.149 52.015 27.154 1.00 0.00 N ATOM 1021 CA GLU A 64 36.069 52.725 28.020 1.00 0.00 C ATOM 1022 C GLU A 64 36.842 51.835 28.995 1.00 0.00 C ATOM 1023 O GLU A 64 37.319 52.293 30.031 1.00 0.00 O ATOM 1024 CB GLU A 64 35.394 53.958 28.615 1.00 0.00 C ATOM 1025 CG GLU A 64 35.099 55.010 27.550 1.00 0.00 C ATOM 1026 CD GLU A 64 34.459 56.271 28.135 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.165 57.108 28.738 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.232 56.458 27.988 1.00 0.00 O ATOM 0 H GLU A 64 35.342 52.199 26.170 1.00 0.00 H new ATOM 0 HA GLU A 64 36.887 53.102 27.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.465 53.664 29.103 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.036 54.389 29.384 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.025 55.278 27.042 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.435 54.585 26.798 1.00 0.00 H new ATOM 1035 N SER A 65 37.004 50.558 28.657 1.00 0.00 N ATOM 1036 CA SER A 65 37.904 49.642 29.327 1.00 0.00 C ATOM 1037 C SER A 65 39.377 50.002 29.118 1.00 0.00 C ATOM 1038 O SER A 65 39.746 50.477 28.046 1.00 0.00 O ATOM 1039 CB SER A 65 37.707 48.204 28.856 1.00 0.00 C ATOM 1040 OG SER A 65 36.426 47.721 29.198 1.00 0.00 O ATOM 0 H SER A 65 36.495 50.126 27.886 1.00 0.00 H new ATOM 0 HA SER A 65 37.657 49.729 30.385 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.841 48.152 27.775 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.469 47.566 29.303 1.00 0.00 H new ATOM 0 HG SER A 65 35.775 48.015 28.527 1.00 0.00 H new ATOM 1046 N THR A 66 40.219 49.709 30.105 1.00 0.00 N ATOM 1047 CA THR A 66 41.657 49.872 30.050 1.00 0.00 C ATOM 1048 C THR A 66 42.354 48.510 30.086 1.00 0.00 C ATOM 1049 O THR A 66 42.130 47.745 31.021 1.00 0.00 O ATOM 1050 CB THR A 66 42.154 50.724 31.215 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.509 51.976 31.267 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.649 51.017 31.123 1.00 0.00 C ATOM 0 H THR A 66 39.898 49.337 30.999 1.00 0.00 H new ATOM 0 HA THR A 66 41.897 50.376 29.114 1.00 0.00 H new ATOM 0 HB THR A 66 41.932 50.134 32.104 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.854 52.490 32.027 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.954 51.626 31.974 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.205 50.079 31.130 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.858 51.555 30.199 1.00 0.00 H new ATOM 1060 N LEU A 67 43.234 48.215 29.134 1.00 0.00 N ATOM 1061 CA LEU A 67 44.038 47.012 29.063 1.00 0.00 C ATOM 1062 C LEU A 67 45.527 47.323 28.891 1.00 0.00 C ATOM 1063 O LEU A 67 45.886 48.464 28.608 1.00 0.00 O ATOM 1064 CB LEU A 67 43.495 46.075 27.988 1.00 0.00 C ATOM 1065 CG LEU A 67 43.428 46.651 26.577 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.787 45.589 25.542 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.036 47.172 26.233 1.00 0.00 C ATOM 0 H LEU A 67 43.410 48.846 28.352 1.00 0.00 H new ATOM 0 HA LEU A 67 43.961 46.491 30.017 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.116 45.180 27.965 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.493 45.760 28.280 1.00 0.00 H new ATOM 0 HG LEU A 67 44.141 47.475 26.553 1.00 0.00 H new ATOM 0 HD11 LEU A 67 43.733 46.022 24.543 1.00 0.00 H new ATOM 0 HD12 LEU A 67 44.799 45.228 25.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.086 44.757 25.616 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.038 47.572 25.219 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.316 46.357 26.300 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.759 47.960 26.934 1.00 0.00 H new ATOM 1079 N HIS A 68 46.404 46.344 29.092 1.00 0.00 N ATOM 1080 CA HIS A 68 47.825 46.558 29.278 1.00 0.00 C ATOM 1081 C HIS A 68 48.735 45.693 28.403 1.00 0.00 C ATOM 1082 O HIS A 68 48.372 44.586 28.006 1.00 0.00 O ATOM 1083 CB HIS A 68 48.179 46.294 30.739 1.00 0.00 C ATOM 1084 CG HIS A 68 47.708 47.354 31.696 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.482 48.424 32.141 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.506 47.372 32.356 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.744 49.066 33.049 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.554 48.463 33.201 1.00 0.00 N ATOM 0 H HIS A 68 46.135 45.361 29.130 1.00 0.00 H new ATOM 0 HA HIS A 68 48.005 47.591 28.978 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.750 45.337 31.036 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.261 46.199 30.826 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.689 46.675 32.239 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.060 49.948 33.587 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.811 48.760 33.834 1.00 0.00 H new ATOM 1096 N LEU A 69 49.966 46.161 28.228 1.00 0.00 N ATOM 1097 CA LEU A 69 51.143 45.364 27.948 1.00 0.00 C ATOM 1098 C LEU A 69 52.114 45.455 29.127 1.00 0.00 C ATOM 1099 O LEU A 69 52.276 46.518 29.723 1.00 0.00 O ATOM 1100 CB LEU A 69 51.737 45.806 26.613 1.00 0.00 C ATOM 1101 CG LEU A 69 52.823 44.892 26.055 1.00 0.00 C ATOM 1102 CD1 LEU A 69 52.827 44.915 24.528 1.00 0.00 C ATOM 1103 CD2 LEU A 69 54.235 45.283 26.483 1.00 0.00 C ATOM 0 H LEU A 69 50.175 47.158 28.281 1.00 0.00 H new ATOM 0 HA LEU A 69 50.895 44.308 27.843 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.933 45.878 25.881 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.151 46.807 26.731 1.00 0.00 H new ATOM 0 HG LEU A 69 52.579 43.908 26.455 1.00 0.00 H new ATOM 0 HD11 LEU A 69 53.611 44.255 24.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.860 44.576 24.156 1.00 0.00 H new ATOM 0 HD13 LEU A 69 53.013 45.931 24.180 1.00 0.00 H new ATOM 0 HD21 LEU A 69 54.953 44.588 26.048 1.00 0.00 H new ATOM 0 HD22 LEU A 69 54.453 46.294 26.138 1.00 0.00 H new ATOM 0 HD23 LEU A 69 54.309 45.247 27.570 1.00 0.00 H new ATOM 1115 N VAL A 70 52.778 44.353 29.462 1.00 0.00 N ATOM 1116 CA VAL A 70 53.787 44.232 30.496 1.00 0.00 C ATOM 1117 C VAL A 70 55.070 43.617 29.933 1.00 0.00 C ATOM 1118 O VAL A 70 55.052 43.074 28.830 1.00 0.00 O ATOM 1119 CB VAL A 70 53.274 43.455 31.704 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.112 44.179 32.378 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.841 42.028 31.380 1.00 0.00 C ATOM 0 H VAL A 70 52.611 43.467 28.985 1.00 0.00 H new ATOM 0 HA VAL A 70 54.022 45.237 30.847 1.00 0.00 H new ATOM 0 HB VAL A 70 54.126 43.396 32.381 1.00 0.00 H new ATOM 0 HG11 VAL A 70 51.770 43.599 33.235 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.442 45.162 32.714 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.293 44.294 31.667 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.489 41.540 32.288 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.037 42.050 30.645 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.688 41.474 30.975 1.00 0.00 H new ATOM 1131 N LEU A 71 56.187 43.691 30.652 1.00 0.00 N ATOM 1132 CA LEU A 71 57.499 43.273 30.202 1.00 0.00 C ATOM 1133 C LEU A 71 57.541 41.860 29.616 1.00 0.00 C ATOM 1134 O LEU A 71 58.145 41.637 28.569 1.00 0.00 O ATOM 1135 CB LEU A 71 58.463 43.415 31.377 1.00 0.00 C ATOM 1136 CG LEU A 71 59.911 43.027 31.096 1.00 0.00 C ATOM 1137 CD1 LEU A 71 60.549 43.896 30.016 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.732 43.177 32.374 1.00 0.00 C ATOM 0 H LEU A 71 56.196 44.060 31.603 1.00 0.00 H new ATOM 0 HA LEU A 71 57.792 43.917 29.373 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.443 44.451 31.716 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.095 42.803 32.201 1.00 0.00 H new ATOM 0 HG LEU A 71 59.904 41.995 30.745 1.00 0.00 H new ATOM 0 HD11 LEU A 71 61.579 43.578 29.855 1.00 0.00 H new ATOM 0 HD12 LEU A 71 59.988 43.793 29.087 1.00 0.00 H new ATOM 0 HD13 LEU A 71 60.537 44.939 30.334 1.00 0.00 H new ATOM 0 HD21 LEU A 71 61.767 42.900 32.176 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.692 44.212 32.713 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.324 42.526 33.147 1.00 0.00 H new ATOM 1150 N ARG A 72 56.843 40.911 30.233 1.00 0.00 N ATOM 1151 CA ARG A 72 56.767 39.538 29.777 1.00 0.00 C ATOM 1152 C ARG A 72 55.763 39.299 28.646 1.00 0.00 C ATOM 1153 O ARG A 72 55.483 38.144 28.332 1.00 0.00 O ATOM 1154 CB ARG A 72 56.600 38.594 30.964 1.00 0.00 C ATOM 1155 CG ARG A 72 57.754 38.730 31.954 1.00 0.00 C ATOM 1156 CD ARG A 72 57.639 37.752 33.120 1.00 0.00 C ATOM 1157 NE ARG A 72 58.429 38.229 34.255 1.00 0.00 N ATOM 1158 CZ ARG A 72 59.021 37.518 35.224 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.989 36.180 35.304 1.00 0.00 N ATOM 1160 NH2 ARG A 72 59.676 38.191 36.181 1.00 0.00 N ATOM 0 H ARG A 72 56.305 41.085 31.082 1.00 0.00 H new ATOM 0 HA ARG A 72 57.721 39.307 29.303 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.658 38.807 31.470 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.545 37.566 30.607 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.697 38.562 31.434 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.780 39.749 32.340 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.595 37.645 33.413 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.987 36.766 32.813 1.00 0.00 H new ATOM 0 HE ARG A 72 58.545 39.240 34.317 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.491 35.639 34.598 1.00 0.00 H new ATOM 0 HH12 ARG A 72 59.463 35.703 36.071 1.00 0.00 H new ATOM 0 HH21 ARG A 72 59.711 39.210 36.155 1.00 0.00 H new ATOM 0 HH22 ARG A 72 60.139 37.684 36.935 1.00 0.00 H new ATOM 1174 N LEU A 73 55.259 40.359 28.021 1.00 0.00 N ATOM 1175 CA LEU A 73 54.459 40.380 26.812 1.00 0.00 C ATOM 1176 C LEU A 73 55.065 41.239 25.699 1.00 0.00 C ATOM 1177 O LEU A 73 54.433 41.445 24.665 1.00 0.00 O ATOM 1178 CB LEU A 73 53.038 40.829 27.141 1.00 0.00 C ATOM 1179 CG LEU A 73 52.288 40.024 28.199 1.00 0.00 C ATOM 1180 CD1 LEU A 73 50.904 40.632 28.406 1.00 0.00 C ATOM 1181 CD2 LEU A 73 52.078 38.556 27.836 1.00 0.00 C ATOM 0 H LEU A 73 55.416 41.300 28.381 1.00 0.00 H new ATOM 0 HA LEU A 73 54.439 39.362 26.422 1.00 0.00 H new ATOM 0 HB2 LEU A 73 53.078 41.868 27.470 1.00 0.00 H new ATOM 0 HB3 LEU A 73 52.454 40.808 26.221 1.00 0.00 H new ATOM 0 HG LEU A 73 52.910 40.064 29.093 1.00 0.00 H new ATOM 0 HD11 LEU A 73 50.365 40.060 29.161 1.00 0.00 H new ATOM 0 HD12 LEU A 73 51.006 41.665 28.738 1.00 0.00 H new ATOM 0 HD13 LEU A 73 50.351 40.606 27.467 1.00 0.00 H new ATOM 0 HD21 LEU A 73 51.538 38.056 28.640 1.00 0.00 H new ATOM 0 HD22 LEU A 73 51.500 38.488 26.914 1.00 0.00 H new ATOM 0 HD23 LEU A 73 53.045 38.074 27.694 1.00 0.00 H new ATOM 1193 N ARG A 74 56.277 41.754 25.880 1.00 0.00 N ATOM 1194 CA ARG A 74 56.980 42.604 24.940 1.00 0.00 C ATOM 1195 C ARG A 74 57.590 41.829 23.771 1.00 0.00 C ATOM 1196 O ARG A 74 57.746 42.373 22.681 1.00 0.00 O ATOM 1197 CB ARG A 74 58.007 43.426 25.713 1.00 0.00 C ATOM 1198 CG ARG A 74 58.242 44.870 25.281 1.00 0.00 C ATOM 1199 CD ARG A 74 58.973 45.104 23.962 1.00 0.00 C ATOM 1200 NE ARG A 74 58.080 45.087 22.803 1.00 0.00 N ATOM 1201 CZ ARG A 74 57.887 46.068 21.911 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.270 47.335 22.116 1.00 0.00 N ATOM 1203 NH2 ARG A 74 57.273 45.788 20.754 1.00 0.00 N ATOM 0 H ARG A 74 56.817 41.579 26.728 1.00 0.00 H new ATOM 0 HA ARG A 74 56.267 43.278 24.465 1.00 0.00 H new ATOM 0 HB2 ARG A 74 57.706 43.436 26.761 1.00 0.00 H new ATOM 0 HB3 ARG A 74 58.962 42.902 25.660 1.00 0.00 H new ATOM 0 HG2 ARG A 74 57.272 45.364 25.220 1.00 0.00 H new ATOM 0 HG3 ARG A 74 58.805 45.369 26.070 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.487 46.064 24.003 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.738 44.338 23.836 1.00 0.00 H new ATOM 0 HE ARG A 74 57.544 44.232 22.658 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.734 47.593 22.987 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.097 48.042 21.401 1.00 0.00 H new ATOM 0 HH21 ARG A 74 56.959 44.837 20.561 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.120 46.526 20.066 1.00 0.00 H new ATOM 1217 N GLY A 75 57.900 40.548 23.949 1.00 0.00 N ATOM 1218 CA GLY A 75 58.231 39.638 22.872 1.00 0.00 C ATOM 1219 C GLY A 75 56.996 39.153 22.111 1.00 0.00 C ATOM 1220 O GLY A 75 57.037 39.042 20.888 1.00 0.00 O ATOM 0 H GLY A 75 57.927 40.110 24.870 1.00 0.00 H new ATOM 0 HA2 GLY A 75 58.909 40.134 22.178 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.764 38.778 23.279 1.00 0.00 H new ATOM 1224 N GLY A 76 55.894 38.935 22.823 1.00 0.00 N ATOM 1225 CA GLY A 76 54.597 38.560 22.294 1.00 0.00 C ATOM 1226 C GLY A 76 54.427 37.057 22.058 1.00 0.00 C ATOM 1227 O GLY A 76 53.834 36.707 21.015 1.00 0.00 O ATOM 1228 OXT GLY A 76 54.811 36.236 22.917 1.00 0.00 O ATOM 0 H GLY A 76 55.887 39.021 23.839 1.00 0.00 H new ATOM 0 HA2 GLY A 76 53.824 38.898 22.984 1.00 0.00 H new ATOM 0 HA3 GLY A 76 54.435 39.085 21.353 1.00 0.00 H new TER 1232 GLY A 76