USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 6 HIS : no HD1:sc= -0.521 K(o=0.67,f=-1.5) USER MOD Set 1.2: A 13 THR OG1 : rot -70:sc= 1.19 USER MOD Single : A 1 ARG N :NH3+ -151:sc= 2.81 (180deg=1.46) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 5 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.81) USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.586 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.97) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -2.46! (180deg=-2.95!) USER MOD Single : A 25 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.3!) USER MOD Single : A 28 THR OG1 : rot -137:sc= 1.2 USER MOD Single : A 31 ASN : amide:sc= -0.0067 X(o=-0.0067,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.361 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.401! (180deg=-2.42!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 42.316 25.515 67.243 1.00 0.00 N ATOM 2 CA ARG A 1 40.916 25.177 66.728 1.00 0.00 C ATOM 3 C ARG A 1 40.897 25.374 65.188 1.00 0.00 C ATOM 4 O ARG A 1 41.882 25.828 64.612 1.00 0.00 O ATOM 5 CB ARG A 1 39.840 26.044 67.411 1.00 0.00 C ATOM 6 CG ARG A 1 39.408 25.425 68.749 1.00 0.00 C ATOM 7 CD ARG A 1 38.161 26.052 69.368 1.00 0.00 C ATOM 8 NE ARG A 1 37.783 25.656 70.751 1.00 0.00 N ATOM 9 CZ ARG A 1 38.546 25.009 71.621 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.199 23.930 71.283 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.593 25.423 72.859 1.00 0.00 N ATOM 0 H1 ARG A 1 42.514 24.961 68.100 1.00 0.00 H new ATOM 0 H2 ARG A 1 43.020 25.285 66.512 1.00 0.00 H new ATOM 0 H3 ARG A 1 42.368 26.529 67.467 1.00 0.00 H new ATOM 0 HA ARG A 1 40.682 24.140 66.970 1.00 0.00 H new ATOM 0 HB2 ARG A 1 40.229 27.048 67.579 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.975 26.142 66.755 1.00 0.00 H new ATOM 0 HG2 ARG A 1 39.227 24.360 68.600 1.00 0.00 H new ATOM 0 HG3 ARG A 1 40.232 25.512 69.457 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.293 27.134 69.357 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.317 25.827 68.716 1.00 0.00 H new ATOM 0 HE ARG A 1 36.844 25.907 71.061 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.128 23.568 70.332 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.780 23.449 71.970 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.047 26.235 73.146 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.176 24.934 73.538 1.00 0.00 H new ATOM 27 N ILE A 2 39.744 24.980 64.523 1.00 0.00 N ATOM 28 CA ILE A 2 39.641 25.092 63.057 1.00 0.00 C ATOM 29 C ILE A 2 38.749 26.337 62.755 1.00 0.00 C ATOM 30 O ILE A 2 37.568 26.392 63.106 1.00 0.00 O ATOM 31 CB ILE A 2 39.068 23.884 62.274 1.00 0.00 C ATOM 32 CG1 ILE A 2 39.787 22.542 62.572 1.00 0.00 C ATOM 33 CG2 ILE A 2 39.124 24.183 60.751 1.00 0.00 C ATOM 34 CD1 ILE A 2 39.369 21.810 63.860 1.00 0.00 C ATOM 0 H ILE A 2 38.916 24.599 64.982 1.00 0.00 H new ATOM 0 HA ILE A 2 40.671 25.161 62.707 1.00 0.00 H new ATOM 0 HB ILE A 2 38.039 23.757 62.609 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.621 21.871 61.729 1.00 0.00 H new ATOM 0 HG13 ILE A 2 40.859 22.733 62.621 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.721 23.334 60.199 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.532 25.072 60.533 1.00 0.00 H new ATOM 0 HG23 ILE A 2 40.158 24.353 60.451 1.00 0.00 H new ATOM 0 HD11 ILE A 2 39.941 20.887 63.956 1.00 0.00 H new ATOM 0 HD12 ILE A 2 39.563 22.449 64.721 1.00 0.00 H new ATOM 0 HD13 ILE A 2 38.306 21.574 63.816 1.00 0.00 H new ATOM 46 N CYS A 3 39.352 27.369 62.052 1.00 0.00 N ATOM 47 CA CYS A 3 38.553 28.499 61.572 1.00 0.00 C ATOM 48 C CYS A 3 39.047 28.855 60.127 1.00 0.00 C ATOM 49 O CYS A 3 40.210 28.698 59.762 1.00 0.00 O ATOM 50 CB CYS A 3 38.505 29.739 62.484 1.00 0.00 C ATOM 51 SG CYS A 3 38.242 29.216 64.215 1.00 0.00 S ATOM 0 H CYS A 3 40.346 27.416 61.828 1.00 0.00 H new ATOM 0 HA CYS A 3 37.513 28.172 61.574 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.435 30.301 62.400 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.701 30.404 62.168 1.00 0.00 H new ATOM 56 N TYR A 4 38.074 29.339 59.272 1.00 0.00 N ATOM 57 CA TYR A 4 38.283 29.406 57.826 1.00 0.00 C ATOM 58 C TYR A 4 39.348 30.464 57.406 1.00 0.00 C ATOM 59 O TYR A 4 39.488 31.520 58.017 1.00 0.00 O ATOM 60 CB TYR A 4 36.961 29.792 57.130 1.00 0.00 C ATOM 61 CG TYR A 4 35.776 28.983 57.620 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.135 29.327 58.809 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.280 27.885 56.929 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.034 28.640 59.284 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.157 27.198 57.367 1.00 0.00 C ATOM 66 CZ TYR A 4 33.482 27.597 58.526 1.00 0.00 C ATOM 67 OH TYR A 4 32.311 27.022 58.933 1.00 0.00 O ATOM 0 H TYR A 4 37.162 29.676 59.581 1.00 0.00 H new ATOM 0 HA TYR A 4 38.637 28.419 57.526 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.765 30.851 57.297 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.069 29.653 56.054 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.513 30.162 59.381 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.780 27.558 56.029 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.600 28.906 60.237 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.800 26.346 56.807 1.00 0.00 H new ATOM 0 HH TYR A 4 32.057 26.316 58.303 1.00 0.00 H new ATOM 77 N ASN A 5 40.083 30.187 56.262 1.00 0.00 N ATOM 78 CA ASN A 5 41.062 31.169 55.782 1.00 0.00 C ATOM 79 C ASN A 5 40.990 31.158 54.233 1.00 0.00 C ATOM 80 O ASN A 5 42.011 31.220 53.554 1.00 0.00 O ATOM 81 CB ASN A 5 42.461 30.895 56.344 1.00 0.00 C ATOM 82 CG ASN A 5 43.468 31.970 55.946 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.176 33.136 55.748 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.739 31.522 55.839 1.00 0.00 N ATOM 0 H ASN A 5 40.004 29.336 55.705 1.00 0.00 H new ATOM 0 HA ASN A 5 40.828 32.172 56.140 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.408 30.835 57.431 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.809 29.925 55.988 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.487 32.167 55.586 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.949 30.539 56.012 1.00 0.00 H new ATOM 91 N HIS A 6 39.716 31.121 53.688 1.00 0.00 N ATOM 92 CA HIS A 6 39.406 31.227 52.268 1.00 0.00 C ATOM 93 C HIS A 6 39.380 32.762 51.889 1.00 0.00 C ATOM 94 O HIS A 6 40.104 33.572 52.468 1.00 0.00 O ATOM 95 CB HIS A 6 40.170 30.233 51.301 1.00 0.00 C ATOM 96 CG HIS A 6 41.497 30.670 50.764 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.525 29.764 50.422 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.042 31.889 50.488 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.623 30.391 50.008 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.331 31.698 50.022 1.00 0.00 N ATOM 0 H HIS A 6 38.882 31.013 54.266 1.00 0.00 H new ATOM 0 HA HIS A 6 38.408 30.830 52.086 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.316 29.293 51.833 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.518 30.022 50.454 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.551 32.843 50.612 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.560 29.938 49.719 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.965 32.443 49.732 1.00 0.00 H new ATOM 109 N LEU A 7 38.450 33.184 50.948 1.00 0.00 N ATOM 110 CA LEU A 7 38.265 34.597 50.616 1.00 0.00 C ATOM 111 C LEU A 7 39.509 35.242 49.899 1.00 0.00 C ATOM 112 O LEU A 7 40.464 34.565 49.529 1.00 0.00 O ATOM 113 CB LEU A 7 37.642 35.426 51.771 1.00 0.00 C ATOM 114 CG LEU A 7 36.134 35.141 52.021 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.890 33.983 53.004 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.410 36.406 52.514 1.00 0.00 C ATOM 0 H LEU A 7 37.841 32.550 50.431 1.00 0.00 H new ATOM 0 HA LEU A 7 37.495 34.630 49.846 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.195 35.223 52.688 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.768 36.486 51.551 1.00 0.00 H new ATOM 0 HG LEU A 7 35.723 34.836 51.058 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.818 33.836 53.134 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.336 33.070 52.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.343 34.221 53.966 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.357 36.180 52.682 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.862 36.744 53.447 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.498 37.191 51.763 1.00 0.00 H new ATOM 128 N GLY A 8 39.392 36.584 49.562 1.00 0.00 N ATOM 129 CA GLY A 8 40.385 37.234 48.691 1.00 0.00 C ATOM 130 C GLY A 8 39.927 37.056 47.231 1.00 0.00 C ATOM 131 O GLY A 8 39.665 38.014 46.510 1.00 0.00 O ATOM 0 H GLY A 8 38.639 37.194 49.881 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.472 38.292 48.937 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.370 36.790 48.838 1.00 0.00 H new ATOM 135 N THR A 9 39.887 35.744 46.807 1.00 0.00 N ATOM 136 CA THR A 9 39.486 35.334 45.469 1.00 0.00 C ATOM 137 C THR A 9 39.228 33.808 45.539 1.00 0.00 C ATOM 138 O THR A 9 38.184 33.341 45.092 1.00 0.00 O ATOM 139 CB THR A 9 40.494 35.625 44.310 1.00 0.00 C ATOM 140 OG1 THR A 9 40.448 36.996 43.898 1.00 0.00 O ATOM 141 CG2 THR A 9 40.251 34.809 43.030 1.00 0.00 C ATOM 0 H THR A 9 40.139 34.961 47.410 1.00 0.00 H new ATOM 0 HA THR A 9 38.613 35.933 45.211 1.00 0.00 H new ATOM 0 HB THR A 9 41.454 35.349 44.746 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.189 37.558 44.658 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.997 35.076 42.281 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.329 33.746 43.256 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.255 35.026 42.644 1.00 0.00 H new ATOM 149 N LYS A 10 40.220 33.023 46.110 1.00 0.00 N ATOM 150 CA LYS A 10 40.119 31.548 46.168 1.00 0.00 C ATOM 151 C LYS A 10 39.237 31.107 47.417 1.00 0.00 C ATOM 152 O LYS A 10 39.529 31.557 48.519 1.00 0.00 O ATOM 153 CB LYS A 10 41.502 30.877 46.359 1.00 0.00 C ATOM 154 CG LYS A 10 42.580 31.063 45.261 1.00 0.00 C ATOM 155 CD LYS A 10 42.471 30.256 43.941 1.00 0.00 C ATOM 156 CE LYS A 10 42.305 28.735 44.056 1.00 0.00 C ATOM 157 NZ LYS A 10 42.220 28.131 42.641 1.00 0.00 N ATOM 0 H LYS A 10 41.073 33.400 46.523 1.00 0.00 H new ATOM 0 HA LYS A 10 39.676 31.236 45.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.920 31.243 47.297 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.336 29.807 46.480 1.00 0.00 H new ATOM 0 HG2 LYS A 10 42.599 32.120 44.997 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.546 30.829 45.708 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.624 30.646 43.377 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.365 30.454 43.350 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.146 28.305 44.599 1.00 0.00 H new ATOM 0 HE3 LYS A 10 41.405 28.496 44.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 42.107 27.099 42.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 41.404 28.536 42.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.091 28.350 42.117 1.00 0.00 H new ATOM 171 N PRO A 11 38.225 30.128 47.276 1.00 0.00 N ATOM 172 CA PRO A 11 37.430 29.709 48.483 1.00 0.00 C ATOM 173 C PRO A 11 37.764 28.318 49.201 1.00 0.00 C ATOM 174 O PRO A 11 37.252 28.165 50.310 1.00 0.00 O ATOM 175 CB PRO A 11 35.941 29.711 48.061 1.00 0.00 C ATOM 176 CG PRO A 11 35.921 30.601 46.814 1.00 0.00 C ATOM 177 CD PRO A 11 37.261 30.261 46.168 1.00 0.00 C ATOM 0 HA PRO A 11 37.706 30.432 49.251 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.585 28.704 47.841 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.302 30.110 48.849 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.081 30.369 46.159 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.846 31.658 47.067 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.194 29.336 45.596 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.569 31.043 45.474 1.00 0.00 H new ATOM 185 N PRO A 12 38.677 27.372 48.713 1.00 0.00 N ATOM 186 CA PRO A 12 38.838 26.049 49.356 1.00 0.00 C ATOM 187 C PRO A 12 39.593 25.769 50.705 1.00 0.00 C ATOM 188 O PRO A 12 39.323 24.689 51.236 1.00 0.00 O ATOM 189 CB PRO A 12 39.618 25.247 48.293 1.00 0.00 C ATOM 190 CG PRO A 12 38.958 25.706 46.993 1.00 0.00 C ATOM 191 CD PRO A 12 38.779 27.202 47.261 1.00 0.00 C ATOM 0 HA PRO A 12 37.818 25.821 49.664 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.684 25.476 48.311 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.520 24.172 48.442 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.587 25.516 46.123 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.007 25.203 46.815 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.623 27.768 46.866 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.884 27.577 46.766 1.00 0.00 H new ATOM 199 N THR A 13 40.547 26.609 51.275 1.00 0.00 N ATOM 200 CA THR A 13 41.241 26.196 52.518 1.00 0.00 C ATOM 201 C THR A 13 40.602 26.745 53.836 1.00 0.00 C ATOM 202 O THR A 13 40.057 27.843 53.931 1.00 0.00 O ATOM 203 CB THR A 13 42.737 26.611 52.640 1.00 0.00 C ATOM 204 OG1 THR A 13 42.946 28.022 52.707 1.00 0.00 O ATOM 205 CG2 THR A 13 43.677 26.072 51.553 1.00 0.00 C ATOM 0 H THR A 13 40.823 27.517 50.902 1.00 0.00 H new ATOM 0 HA THR A 13 41.140 25.115 52.419 1.00 0.00 H new ATOM 0 HB THR A 13 42.995 26.137 53.587 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.751 28.423 51.834 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.691 26.425 51.741 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.664 24.982 51.568 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.345 26.425 50.577 1.00 0.00 H new ATOM 213 N THR A 14 40.863 25.948 54.926 1.00 0.00 N ATOM 214 CA THR A 14 40.494 26.263 56.298 1.00 0.00 C ATOM 215 C THR A 14 41.751 26.048 57.184 1.00 0.00 C ATOM 216 O THR A 14 42.561 25.149 56.956 1.00 0.00 O ATOM 217 CB THR A 14 39.292 25.462 56.786 1.00 0.00 C ATOM 218 OG1 THR A 14 39.437 24.039 56.771 1.00 0.00 O ATOM 219 CG2 THR A 14 38.072 25.826 55.914 1.00 0.00 C ATOM 0 H THR A 14 41.348 25.055 54.842 1.00 0.00 H new ATOM 0 HA THR A 14 40.170 27.302 56.360 1.00 0.00 H new ATOM 0 HB THR A 14 39.176 25.735 57.835 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.614 23.623 57.103 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.203 25.261 56.250 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.867 26.893 56.002 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.283 25.582 54.873 1.00 0.00 H new ATOM 227 N GLU A 15 41.917 26.944 58.226 1.00 0.00 N ATOM 228 CA GLU A 15 43.157 26.940 59.012 1.00 0.00 C ATOM 229 C GLU A 15 42.905 25.920 60.162 1.00 0.00 C ATOM 230 O GLU A 15 42.370 26.232 61.224 1.00 0.00 O ATOM 231 CB GLU A 15 43.648 28.340 59.461 1.00 0.00 C ATOM 232 CG GLU A 15 45.178 28.381 59.675 1.00 0.00 C ATOM 233 CD GLU A 15 45.756 29.786 59.589 1.00 0.00 C ATOM 234 OE1 GLU A 15 46.568 30.169 58.760 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.283 30.584 60.539 1.00 0.00 O ATOM 0 H GLU A 15 41.226 27.638 58.511 1.00 0.00 H new ATOM 0 HA GLU A 15 44.007 26.630 58.405 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.368 29.079 58.711 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.146 28.620 60.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.414 27.957 60.651 1.00 0.00 H new ATOM 0 HG3 GLU A 15 45.660 27.750 58.928 1.00 0.00 H new ATOM 243 N THR A 16 43.329 24.628 59.875 1.00 0.00 N ATOM 244 CA THR A 16 43.173 23.475 60.784 1.00 0.00 C ATOM 245 C THR A 16 44.407 23.594 61.736 1.00 0.00 C ATOM 246 O THR A 16 45.524 23.211 61.393 1.00 0.00 O ATOM 247 CB THR A 16 43.128 22.102 60.057 1.00 0.00 C ATOM 248 OG1 THR A 16 41.972 22.062 59.210 1.00 0.00 O ATOM 249 CG2 THR A 16 43.102 20.909 61.025 1.00 0.00 C ATOM 0 H THR A 16 43.787 24.385 58.997 1.00 0.00 H new ATOM 0 HA THR A 16 42.217 23.504 61.307 1.00 0.00 H new ATOM 0 HB THR A 16 44.044 22.011 59.473 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.936 21.200 58.746 1.00 0.00 H new ATOM 0 HG21 THR A 16 43.071 19.980 60.456 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.998 20.925 61.646 1.00 0.00 H new ATOM 0 HG23 THR A 16 42.219 20.975 61.660 1.00 0.00 H new ATOM 257 N CYS A 17 44.170 24.132 62.999 1.00 0.00 N ATOM 258 CA CYS A 17 45.300 24.580 63.833 1.00 0.00 C ATOM 259 C CYS A 17 45.172 24.220 65.346 1.00 0.00 C ATOM 260 O CYS A 17 44.089 23.986 65.880 1.00 0.00 O ATOM 261 CB CYS A 17 45.320 26.094 63.680 1.00 0.00 C ATOM 262 SG CYS A 17 46.638 27.086 64.414 1.00 0.00 S ATOM 0 H CYS A 17 43.248 24.250 63.418 1.00 0.00 H new ATOM 0 HA CYS A 17 46.210 24.079 63.503 1.00 0.00 H new ATOM 0 HB2 CYS A 17 45.318 26.307 62.611 1.00 0.00 H new ATOM 0 HB3 CYS A 17 44.378 26.468 64.081 1.00 0.00 H new ATOM 267 N GLN A 18 46.367 24.263 66.042 1.00 0.00 N ATOM 268 CA GLN A 18 46.485 23.919 67.464 1.00 0.00 C ATOM 269 C GLN A 18 46.252 25.134 68.408 1.00 0.00 C ATOM 270 O GLN A 18 46.101 24.917 69.611 1.00 0.00 O ATOM 271 CB GLN A 18 47.808 23.197 67.825 1.00 0.00 C ATOM 272 CG GLN A 18 49.148 23.978 67.760 1.00 0.00 C ATOM 273 CD GLN A 18 49.348 25.003 68.878 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.305 26.205 68.694 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.638 24.480 70.093 1.00 0.00 N ATOM 0 H GLN A 18 47.251 24.538 65.614 1.00 0.00 H new ATOM 0 HA GLN A 18 45.677 23.207 67.632 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.703 22.812 68.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.900 22.335 67.165 1.00 0.00 H new ATOM 0 HG2 GLN A 18 49.971 23.263 67.790 1.00 0.00 H new ATOM 0 HG3 GLN A 18 49.207 24.492 66.800 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.667 23.468 70.219 1.00 0.00 H new ATOM 0 HE22 GLN A 18 49.827 25.098 70.882 1.00 0.00 H new ATOM 284 N GLU A 19 46.197 26.429 67.903 1.00 0.00 N ATOM 285 CA GLU A 19 45.992 27.562 68.812 1.00 0.00 C ATOM 286 C GLU A 19 44.497 27.413 69.297 1.00 0.00 C ATOM 287 O GLU A 19 43.547 27.395 68.512 1.00 0.00 O ATOM 288 CB GLU A 19 46.225 28.940 68.152 1.00 0.00 C ATOM 289 CG GLU A 19 47.560 29.125 67.354 1.00 0.00 C ATOM 290 CD GLU A 19 48.548 30.035 68.083 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.075 29.797 69.152 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.794 31.145 67.387 1.00 0.00 O ATOM 0 H GLU A 19 46.290 26.674 66.917 1.00 0.00 H new ATOM 0 HA GLU A 19 46.715 27.535 69.627 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.394 29.137 67.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.187 29.701 68.932 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.020 28.151 67.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.339 29.544 66.372 1.00 0.00 H new ATOM 300 N ASP A 20 44.330 27.348 70.670 1.00 0.00 N ATOM 301 CA ASP A 20 43.103 27.115 71.441 1.00 0.00 C ATOM 302 C ASP A 20 41.873 27.979 70.968 1.00 0.00 C ATOM 303 O ASP A 20 40.721 27.576 71.130 1.00 0.00 O ATOM 304 CB ASP A 20 42.772 25.676 71.861 1.00 0.00 C ATOM 305 CG ASP A 20 42.372 24.570 70.860 1.00 0.00 C ATOM 306 OD1 ASP A 20 42.571 24.747 69.658 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.861 23.594 71.426 1.00 0.00 O ATOM 0 H ASP A 20 45.131 27.471 71.290 1.00 0.00 H new ATOM 0 HA ASP A 20 43.385 27.521 72.413 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.644 25.304 72.398 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.959 25.746 72.583 1.00 0.00 H new ATOM 312 N SER A 21 42.137 29.251 70.504 1.00 0.00 N ATOM 313 CA SER A 21 41.117 30.228 70.107 1.00 0.00 C ATOM 314 C SER A 21 41.299 30.692 68.635 1.00 0.00 C ATOM 315 O SER A 21 42.288 30.361 67.979 1.00 0.00 O ATOM 316 CB SER A 21 41.160 31.471 71.049 1.00 0.00 C ATOM 317 OG SER A 21 40.533 31.152 72.289 1.00 0.00 O ATOM 0 H SER A 21 43.087 29.607 70.403 1.00 0.00 H new ATOM 0 HA SER A 21 40.149 29.733 70.191 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.193 31.775 71.220 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.653 32.314 70.579 1.00 0.00 H new ATOM 0 HG SER A 21 40.562 31.933 72.881 1.00 0.00 H new ATOM 323 N CYS A 22 40.286 31.485 68.121 1.00 0.00 N ATOM 324 CA CYS A 22 40.454 32.003 66.779 1.00 0.00 C ATOM 325 C CYS A 22 39.744 33.358 66.563 1.00 0.00 C ATOM 326 O CYS A 22 38.830 33.753 67.284 1.00 0.00 O ATOM 327 CB CYS A 22 40.055 30.983 65.679 1.00 0.00 C ATOM 328 SG CYS A 22 38.298 31.019 65.208 1.00 0.00 S ATOM 0 H CYS A 22 39.424 31.743 68.601 1.00 0.00 H new ATOM 0 HA CYS A 22 41.525 32.180 66.678 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.659 31.172 64.791 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.303 29.980 66.026 1.00 0.00 H new ATOM 333 N TYR A 23 40.237 34.075 65.497 1.00 0.00 N ATOM 334 CA TYR A 23 39.874 35.474 65.312 1.00 0.00 C ATOM 335 C TYR A 23 39.255 35.803 63.931 1.00 0.00 C ATOM 336 O TYR A 23 39.515 35.145 62.923 1.00 0.00 O ATOM 337 CB TYR A 23 41.148 36.350 65.533 1.00 0.00 C ATOM 338 CG TYR A 23 42.285 36.104 64.559 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.260 36.656 63.283 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.418 35.372 64.914 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.319 36.527 62.397 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.492 35.228 64.047 1.00 0.00 C ATOM 343 CZ TYR A 23 44.461 35.814 62.767 1.00 0.00 C ATOM 344 OH TYR A 23 45.534 35.653 61.943 1.00 0.00 O ATOM 0 H TYR A 23 40.866 33.697 64.788 1.00 0.00 H new ATOM 0 HA TYR A 23 39.095 35.693 66.042 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.861 37.400 65.472 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.515 36.178 66.545 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.384 37.205 62.971 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.460 34.906 65.887 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.260 36.979 61.418 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.358 34.662 64.356 1.00 0.00 H new ATOM 0 HH TYR A 23 46.221 35.124 62.400 1.00 0.00 H new ATOM 354 N LYS A 24 38.435 36.921 63.941 1.00 0.00 N ATOM 355 CA LYS A 24 37.782 37.490 62.758 1.00 0.00 C ATOM 356 C LYS A 24 38.562 38.835 62.478 1.00 0.00 C ATOM 357 O LYS A 24 38.566 39.791 63.253 1.00 0.00 O ATOM 358 CB LYS A 24 36.285 37.753 62.994 1.00 0.00 C ATOM 359 CG LYS A 24 35.387 36.606 63.517 1.00 0.00 C ATOM 360 CD LYS A 24 35.115 35.399 62.598 1.00 0.00 C ATOM 361 CE LYS A 24 34.233 34.390 63.354 1.00 0.00 C ATOM 362 NZ LYS A 24 33.545 33.375 62.451 1.00 0.00 N ATOM 0 H LYS A 24 38.226 37.436 64.796 1.00 0.00 H new ATOM 0 HA LYS A 24 37.819 36.804 61.911 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.205 38.579 63.700 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.860 38.097 62.051 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.836 36.227 64.435 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.424 37.038 63.788 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.618 35.725 61.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.054 34.932 62.301 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.847 33.858 64.080 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.474 34.935 63.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.831 32.852 62.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.083 33.870 61.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.251 32.709 62.077 1.00 0.00 H new ATOM 376 N ASN A 25 39.261 38.870 61.290 1.00 0.00 N ATOM 377 CA ASN A 25 40.146 39.955 60.818 1.00 0.00 C ATOM 378 C ASN A 25 39.469 40.438 59.475 1.00 0.00 C ATOM 379 O ASN A 25 39.345 39.672 58.520 1.00 0.00 O ATOM 380 CB ASN A 25 41.545 39.388 60.654 1.00 0.00 C ATOM 381 CG ASN A 25 42.582 40.396 60.240 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.475 40.786 60.967 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.439 40.836 58.977 1.00 0.00 N ATOM 0 H ASN A 25 39.208 38.102 60.621 1.00 0.00 H new ATOM 0 HA ASN A 25 40.258 40.803 61.493 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.853 38.935 61.597 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.515 38.590 59.912 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.093 41.521 58.598 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.676 40.485 58.398 1.00 0.00 H new ATOM 390 N ILE A 26 39.057 41.777 59.410 1.00 0.00 N ATOM 391 CA ILE A 26 37.921 42.157 58.514 1.00 0.00 C ATOM 392 C ILE A 26 38.106 43.449 57.627 1.00 0.00 C ATOM 393 O ILE A 26 37.180 43.919 56.967 1.00 0.00 O ATOM 394 CB ILE A 26 36.655 42.297 59.401 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.405 43.665 60.102 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.563 41.174 60.460 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.521 44.267 60.972 1.00 0.00 C ATOM 0 H ILE A 26 39.475 42.544 59.936 1.00 0.00 H new ATOM 0 HA ILE A 26 37.847 41.360 57.774 1.00 0.00 H new ATOM 0 HB ILE A 26 35.865 42.215 58.654 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.161 44.393 59.328 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.520 43.558 60.729 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.662 41.311 61.058 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.523 40.206 59.961 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.438 41.213 61.108 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.187 45.218 61.386 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.759 43.581 61.785 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.410 44.429 60.363 1.00 0.00 H new ATOM 409 N TRP A 27 39.366 43.984 57.609 1.00 0.00 N ATOM 410 CA TRP A 27 39.885 45.237 57.033 1.00 0.00 C ATOM 411 C TRP A 27 40.665 44.835 55.702 1.00 0.00 C ATOM 412 O TRP A 27 40.053 44.458 54.705 1.00 0.00 O ATOM 413 CB TRP A 27 40.718 46.043 58.123 1.00 0.00 C ATOM 414 CG TRP A 27 41.158 45.230 59.321 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.558 43.874 59.274 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.118 45.515 60.688 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.614 43.294 60.506 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.377 44.331 61.386 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.804 46.665 61.453 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.331 44.186 62.734 1.00 0.00 C ATOM 421 CZ3 TRP A 27 40.768 46.564 62.836 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.027 45.333 63.477 1.00 0.00 C ATOM 0 H TRP A 27 40.125 43.471 58.058 1.00 0.00 H new ATOM 0 HA TRP A 27 39.104 45.942 56.748 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.602 46.465 57.644 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.115 46.881 58.473 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.794 43.353 58.358 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.791 42.314 60.728 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.596 47.607 60.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.519 43.235 63.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.539 47.437 63.429 1.00 0.00 H new ATOM 0 HH2 TRP A 27 40.990 45.275 64.555 1.00 0.00 H new ATOM 433 N THR A 28 42.053 44.936 55.690 1.00 0.00 N ATOM 434 CA THR A 28 42.920 44.484 54.593 1.00 0.00 C ATOM 435 C THR A 28 42.929 45.421 53.321 1.00 0.00 C ATOM 436 O THR A 28 42.040 46.234 53.091 1.00 0.00 O ATOM 437 CB THR A 28 42.747 43.004 54.115 1.00 0.00 C ATOM 438 OG1 THR A 28 43.955 42.545 53.507 1.00 0.00 O ATOM 439 CG2 THR A 28 42.244 41.974 55.140 1.00 0.00 C ATOM 0 H THR A 28 42.576 45.343 56.466 1.00 0.00 H new ATOM 0 HA THR A 28 43.884 44.547 55.098 1.00 0.00 H new ATOM 0 HB THR A 28 41.925 43.063 53.401 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.741 42.036 52.697 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.174 40.994 54.667 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.940 41.924 55.977 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.261 42.273 55.504 1.00 0.00 H new ATOM 447 N PHE A 29 44.005 45.226 52.462 1.00 0.00 N ATOM 448 CA PHE A 29 44.147 45.927 51.185 1.00 0.00 C ATOM 449 C PHE A 29 43.100 45.384 50.178 1.00 0.00 C ATOM 450 O PHE A 29 42.440 46.166 49.496 1.00 0.00 O ATOM 451 CB PHE A 29 45.550 45.821 50.564 1.00 0.00 C ATOM 452 CG PHE A 29 46.515 46.679 51.351 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.130 46.211 52.515 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.766 47.997 50.957 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.944 47.040 53.287 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.585 48.836 51.712 1.00 0.00 C ATOM 457 CZ PHE A 29 48.170 48.363 52.892 1.00 0.00 C ATOM 0 H PHE A 29 44.769 44.581 52.663 1.00 0.00 H new ATOM 0 HA PHE A 29 43.982 46.983 51.397 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.883 44.783 50.567 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.524 46.144 49.523 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.972 45.188 52.823 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.317 48.373 50.050 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.400 46.661 54.190 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.768 49.849 51.386 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.790 49.013 53.492 1.00 0.00 H new ATOM 467 N ASP A 30 42.973 44.013 50.089 1.00 0.00 N ATOM 468 CA ASP A 30 42.003 43.326 49.253 1.00 0.00 C ATOM 469 C ASP A 30 40.516 43.636 49.693 1.00 0.00 C ATOM 470 O ASP A 30 39.629 43.235 48.940 1.00 0.00 O ATOM 471 CB ASP A 30 42.320 41.817 49.095 1.00 0.00 C ATOM 472 CG ASP A 30 42.759 40.939 50.303 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.441 41.484 51.174 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.452 39.743 50.233 1.00 0.00 O ATOM 0 H ASP A 30 43.567 43.374 50.618 1.00 0.00 H new ATOM 0 HA ASP A 30 42.094 43.734 48.246 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.430 41.350 48.674 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.107 41.737 48.345 1.00 0.00 H new ATOM 479 N ASN A 31 40.190 44.375 50.838 1.00 0.00 N ATOM 480 CA ASN A 31 38.827 44.783 51.219 1.00 0.00 C ATOM 481 C ASN A 31 38.079 43.450 51.525 1.00 0.00 C ATOM 482 O ASN A 31 37.240 43.010 50.740 1.00 0.00 O ATOM 483 CB ASN A 31 38.138 45.697 50.193 1.00 0.00 C ATOM 484 CG ASN A 31 36.765 46.155 50.662 1.00 0.00 C ATOM 485 OD1 ASN A 31 35.719 45.725 50.213 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.784 47.116 51.613 1.00 0.00 N ATOM 0 H ASN A 31 40.897 44.688 51.503 1.00 0.00 H new ATOM 0 HA ASN A 31 38.830 45.429 52.097 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.766 46.568 50.006 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.038 45.167 49.246 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.908 47.497 51.970 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.674 47.460 51.973 1.00 0.00 H new ATOM 493 N ILE A 32 38.364 42.817 52.742 1.00 0.00 N ATOM 494 CA ILE A 32 37.898 41.440 52.872 1.00 0.00 C ATOM 495 C ILE A 32 37.945 40.844 54.322 1.00 0.00 C ATOM 496 O ILE A 32 38.598 41.380 55.214 1.00 0.00 O ATOM 497 CB ILE A 32 38.755 40.494 51.966 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.014 39.337 51.274 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.968 39.905 52.717 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.915 39.745 50.284 1.00 0.00 C ATOM 0 H ILE A 32 38.859 43.217 53.539 1.00 0.00 H new ATOM 0 HA ILE A 32 36.851 41.488 52.572 1.00 0.00 H new ATOM 0 HB ILE A 32 39.068 41.175 51.174 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.746 38.727 50.744 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.568 38.705 52.042 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.531 39.256 52.046 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.611 40.715 53.062 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.620 39.328 53.574 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.460 38.851 49.856 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.154 40.326 50.805 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.349 40.348 49.487 1.00 0.00 H new ATOM 512 N ILE A 33 37.258 39.647 54.503 1.00 0.00 N ATOM 513 CA ILE A 33 37.313 38.889 55.775 1.00 0.00 C ATOM 514 C ILE A 33 38.277 37.675 55.513 1.00 0.00 C ATOM 515 O ILE A 33 37.902 36.657 54.930 1.00 0.00 O ATOM 516 CB ILE A 33 35.986 38.396 56.380 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.817 39.403 56.307 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.226 37.898 57.824 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.453 38.743 56.576 1.00 0.00 C ATOM 0 H ILE A 33 36.678 39.214 53.784 1.00 0.00 H new ATOM 0 HA ILE A 33 37.657 39.589 56.536 1.00 0.00 H new ATOM 0 HB ILE A 33 35.655 37.569 55.752 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.981 40.199 57.033 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.804 39.869 55.322 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.285 37.550 58.250 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.944 37.078 57.811 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.618 38.715 58.430 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.666 39.495 56.513 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.272 37.965 55.834 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.453 38.301 57.572 1.00 0.00 H new ATOM 531 N ARG A 34 39.575 37.780 55.975 1.00 0.00 N ATOM 532 CA ARG A 34 40.574 36.722 55.742 1.00 0.00 C ATOM 533 C ARG A 34 41.358 36.676 57.085 1.00 0.00 C ATOM 534 O ARG A 34 41.964 37.635 57.558 1.00 0.00 O ATOM 535 CB ARG A 34 41.421 36.968 54.491 1.00 0.00 C ATOM 536 CG ARG A 34 42.333 35.817 54.033 1.00 0.00 C ATOM 537 CD ARG A 34 42.790 36.028 52.575 1.00 0.00 C ATOM 538 NE ARG A 34 43.329 37.370 52.211 1.00 0.00 N ATOM 539 CZ ARG A 34 44.262 38.044 52.861 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.913 37.516 53.864 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.540 39.258 52.478 1.00 0.00 N ATOM 0 H ARG A 34 39.927 38.581 56.500 1.00 0.00 H new ATOM 0 HA ARG A 34 40.140 35.750 55.508 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.749 37.216 53.669 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.044 37.844 54.670 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.203 35.754 54.686 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.801 34.869 54.119 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.556 35.286 52.352 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.942 35.817 51.923 1.00 0.00 H new ATOM 0 HE ARG A 34 42.939 37.811 51.378 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.705 36.563 54.162 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.629 38.057 54.349 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.041 39.671 51.690 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.257 39.795 52.966 1.00 0.00 H new ATOM 555 N ARG A 35 41.253 35.462 57.752 1.00 0.00 N ATOM 556 CA ARG A 35 41.468 35.378 59.184 1.00 0.00 C ATOM 557 C ARG A 35 41.847 33.948 59.650 1.00 0.00 C ATOM 558 O ARG A 35 42.201 33.111 58.822 1.00 0.00 O ATOM 559 CB ARG A 35 40.220 35.989 59.862 1.00 0.00 C ATOM 560 CG ARG A 35 38.802 35.508 59.484 1.00 0.00 C ATOM 561 CD ARG A 35 38.358 34.069 59.785 1.00 0.00 C ATOM 562 NE ARG A 35 37.082 33.659 59.115 1.00 0.00 N ATOM 563 CZ ARG A 35 36.735 33.950 57.868 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.630 34.085 56.925 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.475 34.116 57.585 1.00 0.00 N ATOM 0 H ARG A 35 41.026 34.576 57.301 1.00 0.00 H new ATOM 0 HA ARG A 35 42.342 35.954 59.489 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.333 35.840 60.936 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.252 37.064 59.684 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.095 36.173 59.980 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.686 35.662 58.411 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.150 33.386 59.478 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.240 33.957 60.863 1.00 0.00 H new ATOM 0 HE ARG A 35 36.423 33.108 59.665 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.620 33.966 57.141 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.339 34.309 55.974 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.771 34.022 58.317 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.192 34.340 56.631 1.00 0.00 H new ATOM 579 N GLY A 36 41.856 33.698 61.021 1.00 0.00 N ATOM 580 CA GLY A 36 42.393 32.376 61.368 1.00 0.00 C ATOM 581 C GLY A 36 42.689 32.058 62.844 1.00 0.00 C ATOM 582 O GLY A 36 42.242 32.748 63.752 1.00 0.00 O ATOM 0 H GLY A 36 41.543 34.308 61.776 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.688 31.628 61.005 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.319 32.239 60.809 1.00 0.00 H new ATOM 586 N CYS A 37 43.451 30.912 63.051 1.00 0.00 N ATOM 587 CA CYS A 37 43.766 30.443 64.405 1.00 0.00 C ATOM 588 C CYS A 37 44.778 31.404 65.109 1.00 0.00 C ATOM 589 O CYS A 37 45.858 31.718 64.611 1.00 0.00 O ATOM 590 CB CYS A 37 44.365 29.007 64.443 1.00 0.00 C ATOM 591 SG CYS A 37 45.923 28.810 63.510 1.00 0.00 S ATOM 0 H CYS A 37 43.833 30.335 62.302 1.00 0.00 H new ATOM 0 HA CYS A 37 42.810 30.429 64.929 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.541 28.728 65.482 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.628 28.309 64.046 1.00 0.00 H new ATOM 596 N GLY A 38 44.366 31.926 66.332 1.00 0.00 N ATOM 597 CA GLY A 38 45.340 32.663 67.122 1.00 0.00 C ATOM 598 C GLY A 38 44.672 32.919 68.491 1.00 0.00 C ATOM 599 O GLY A 38 44.686 32.111 69.414 1.00 0.00 O ATOM 0 H GLY A 38 43.433 31.840 66.734 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.261 32.092 67.238 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.606 33.602 66.636 1.00 0.00 H new ATOM 603 N CYS A 39 44.035 34.144 68.568 1.00 0.00 N ATOM 604 CA CYS A 39 43.307 34.652 69.729 1.00 0.00 C ATOM 605 C CYS A 39 44.270 35.343 70.739 1.00 0.00 C ATOM 606 O CYS A 39 44.010 36.431 71.251 1.00 0.00 O ATOM 607 CB CYS A 39 42.172 35.548 69.226 1.00 0.00 C ATOM 608 SG CYS A 39 41.326 36.473 70.539 1.00 0.00 S ATOM 0 H CYS A 39 44.032 34.800 67.787 1.00 0.00 H new ATOM 0 HA CYS A 39 42.858 33.837 70.296 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.575 36.254 68.500 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.442 34.932 68.701 1.00 0.00 H new ATOM 613 N PHE A 40 45.414 34.639 71.051 1.00 0.00 N ATOM 614 CA PHE A 40 46.373 35.118 72.054 1.00 0.00 C ATOM 615 C PHE A 40 47.223 36.130 71.199 1.00 0.00 C ATOM 616 O PHE A 40 48.256 35.791 70.630 1.00 0.00 O ATOM 617 CB PHE A 40 47.109 33.918 72.717 1.00 0.00 C ATOM 618 CG PHE A 40 46.197 32.692 72.824 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.954 32.755 73.472 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.509 31.510 72.137 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.048 31.698 73.415 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.617 30.440 72.081 1.00 0.00 C ATOM 623 CZ PHE A 40 44.385 30.527 72.735 1.00 0.00 C ATOM 0 H PHE A 40 45.671 33.753 70.616 1.00 0.00 H new ATOM 0 HA PHE A 40 45.976 35.619 72.937 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.994 33.665 72.133 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.454 34.205 73.711 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.693 33.644 74.028 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.464 31.426 71.639 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.085 31.785 73.897 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.877 29.546 71.534 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.698 29.694 72.714 1.00 0.00 H new ATOM 633 N THR A 41 46.719 37.428 71.128 1.00 0.00 N ATOM 634 CA THR A 41 47.226 38.483 70.205 1.00 0.00 C ATOM 635 C THR A 41 47.716 39.665 71.129 1.00 0.00 C ATOM 636 O THR A 41 46.950 40.582 71.424 1.00 0.00 O ATOM 637 CB THR A 41 46.156 38.939 69.180 1.00 0.00 C ATOM 638 OG1 THR A 41 46.600 39.950 68.281 1.00 0.00 O ATOM 639 CG2 THR A 41 45.524 37.801 68.334 1.00 0.00 C ATOM 0 H THR A 41 45.951 37.750 71.717 1.00 0.00 H new ATOM 0 HA THR A 41 48.041 38.103 69.589 1.00 0.00 H new ATOM 0 HB THR A 41 45.392 39.346 69.842 1.00 0.00 H new ATOM 0 HG1 THR A 41 45.824 40.406 67.892 1.00 0.00 H new ATOM 0 HG21 THR A 41 44.789 38.223 67.648 1.00 0.00 H new ATOM 0 HG22 THR A 41 46.304 37.295 67.764 1.00 0.00 H new ATOM 0 HG23 THR A 41 45.035 37.085 68.995 1.00 0.00 H new ATOM 647 N PRO A 42 49.048 39.662 71.545 1.00 0.00 N ATOM 648 CA PRO A 42 49.555 40.626 72.541 1.00 0.00 C ATOM 649 C PRO A 42 50.111 41.843 71.730 1.00 0.00 C ATOM 650 O PRO A 42 51.236 41.821 71.230 1.00 0.00 O ATOM 651 CB PRO A 42 50.639 39.849 73.312 1.00 0.00 C ATOM 652 CG PRO A 42 51.199 38.868 72.266 1.00 0.00 C ATOM 653 CD PRO A 42 49.973 38.536 71.402 1.00 0.00 C ATOM 0 HA PRO A 42 48.823 41.014 73.249 1.00 0.00 H new ATOM 0 HB2 PRO A 42 51.414 40.514 73.692 1.00 0.00 H new ATOM 0 HB3 PRO A 42 50.221 39.323 74.170 1.00 0.00 H new ATOM 0 HG2 PRO A 42 51.996 39.320 71.676 1.00 0.00 H new ATOM 0 HG3 PRO A 42 51.615 37.976 72.733 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.259 38.398 70.359 1.00 0.00 H new ATOM 0 HD3 PRO A 42 49.507 37.607 71.730 1.00 0.00 H new ATOM 661 N ARG A 43 49.303 42.975 71.632 1.00 0.00 N ATOM 662 CA ARG A 43 49.812 44.113 70.877 1.00 0.00 C ATOM 663 C ARG A 43 48.887 45.359 71.135 1.00 0.00 C ATOM 664 O ARG A 43 47.693 45.350 70.841 1.00 0.00 O ATOM 665 CB ARG A 43 49.889 43.875 69.354 1.00 0.00 C ATOM 666 CG ARG A 43 50.434 45.049 68.521 1.00 0.00 C ATOM 667 CD ARG A 43 51.871 45.451 68.877 1.00 0.00 C ATOM 668 NE ARG A 43 52.469 46.551 68.075 1.00 0.00 N ATOM 669 CZ ARG A 43 52.616 46.615 66.763 1.00 0.00 C ATOM 670 NH1 ARG A 43 52.363 45.589 65.997 1.00 0.00 N ATOM 671 NH2 ARG A 43 53.029 47.732 66.231 1.00 0.00 N ATOM 0 H ARG A 43 48.376 43.086 72.044 1.00 0.00 H new ATOM 0 HA ARG A 43 50.831 44.277 71.227 1.00 0.00 H new ATOM 0 HB2 ARG A 43 50.517 43.003 69.173 1.00 0.00 H new ATOM 0 HB3 ARG A 43 48.890 43.630 68.992 1.00 0.00 H new ATOM 0 HG2 ARG A 43 50.393 44.782 67.465 1.00 0.00 H new ATOM 0 HG3 ARG A 43 49.782 45.912 68.657 1.00 0.00 H new ATOM 0 HD2 ARG A 43 51.894 45.743 69.927 1.00 0.00 H new ATOM 0 HD3 ARG A 43 52.506 44.571 68.777 1.00 0.00 H new ATOM 0 HE ARG A 43 52.808 47.356 68.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 52.044 44.712 66.408 1.00 0.00 H new ATOM 0 HH12 ARG A 43 52.484 45.664 64.987 1.00 0.00 H new ATOM 0 HH21 ARG A 43 53.232 48.536 66.825 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.149 47.802 65.220 1.00 0.00 H new ATOM 685 N GLY A 44 49.481 46.492 71.690 1.00 0.00 N ATOM 686 CA GLY A 44 48.737 47.740 71.921 1.00 0.00 C ATOM 687 C GLY A 44 48.945 48.818 70.814 1.00 0.00 C ATOM 688 O GLY A 44 48.026 49.616 70.634 1.00 0.00 O ATOM 0 H GLY A 44 50.461 46.534 71.971 1.00 0.00 H new ATOM 0 HA2 GLY A 44 47.674 47.509 71.993 1.00 0.00 H new ATOM 0 HA3 GLY A 44 49.038 48.158 72.882 1.00 0.00 H new ATOM 692 N ASP A 45 50.116 48.876 70.067 1.00 0.00 N ATOM 693 CA ASP A 45 50.341 49.879 68.998 1.00 0.00 C ATOM 694 C ASP A 45 49.924 49.323 67.582 1.00 0.00 C ATOM 695 O ASP A 45 50.382 49.748 66.525 1.00 0.00 O ATOM 696 CB ASP A 45 51.737 50.522 69.063 1.00 0.00 C ATOM 697 CG ASP A 45 52.930 49.558 68.888 1.00 0.00 C ATOM 698 OD1 ASP A 45 53.010 48.652 69.725 1.00 0.00 O ATOM 699 OD2 ASP A 45 53.644 49.753 67.902 1.00 0.00 O ATOM 0 H ASP A 45 50.898 48.235 70.202 1.00 0.00 H new ATOM 0 HA ASP A 45 49.668 50.716 69.182 1.00 0.00 H new ATOM 0 HB2 ASP A 45 51.799 51.290 68.292 1.00 0.00 H new ATOM 0 HB3 ASP A 45 51.840 51.026 70.024 1.00 0.00 H new ATOM 704 N MET A 46 48.901 48.399 67.635 1.00 0.00 N ATOM 705 CA MET A 46 48.130 47.858 66.527 1.00 0.00 C ATOM 706 C MET A 46 47.084 47.013 67.319 1.00 0.00 C ATOM 707 O MET A 46 47.313 45.840 67.616 1.00 0.00 O ATOM 708 CB MET A 46 48.779 46.974 65.435 1.00 0.00 C ATOM 709 CG MET A 46 47.692 46.373 64.506 1.00 0.00 C ATOM 710 SD MET A 46 48.266 45.206 63.210 1.00 0.00 S ATOM 711 CE MET A 46 47.922 43.655 64.080 1.00 0.00 C ATOM 0 H MET A 46 48.598 48.007 68.527 1.00 0.00 H new ATOM 0 HA MET A 46 47.817 48.689 65.895 1.00 0.00 H new ATOM 0 HB2 MET A 46 49.480 47.567 64.848 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.352 46.172 65.901 1.00 0.00 H new ATOM 0 HG2 MET A 46 46.960 45.857 65.128 1.00 0.00 H new ATOM 0 HG3 MET A 46 47.171 47.195 64.016 1.00 0.00 H new ATOM 0 HE1 MET A 46 48.206 42.813 63.449 1.00 0.00 H new ATOM 0 HE2 MET A 46 48.494 43.623 65.007 1.00 0.00 H new ATOM 0 HE3 MET A 46 46.858 43.594 64.308 1.00 0.00 H new ATOM 721 N PRO A 47 45.874 47.623 67.646 1.00 0.00 N ATOM 722 CA PRO A 47 44.806 46.838 68.286 1.00 0.00 C ATOM 723 C PRO A 47 44.524 45.580 67.403 1.00 0.00 C ATOM 724 O PRO A 47 44.297 45.663 66.195 1.00 0.00 O ATOM 725 CB PRO A 47 43.621 47.809 68.346 1.00 0.00 C ATOM 726 CG PRO A 47 44.346 49.125 68.669 1.00 0.00 C ATOM 727 CD PRO A 47 45.560 49.052 67.731 1.00 0.00 C ATOM 0 HA PRO A 47 45.042 46.463 69.282 1.00 0.00 H new ATOM 0 HB2 PRO A 47 43.077 47.857 67.402 1.00 0.00 H new ATOM 0 HB3 PRO A 47 42.900 47.534 69.116 1.00 0.00 H new ATOM 0 HG2 PRO A 47 43.723 49.996 68.465 1.00 0.00 H new ATOM 0 HG3 PRO A 47 44.641 49.183 69.717 1.00 0.00 H new ATOM 0 HD2 PRO A 47 45.329 49.466 66.750 1.00 0.00 H new ATOM 0 HD3 PRO A 47 46.402 49.620 68.127 1.00 0.00 H new ATOM 735 N GLY A 48 44.546 44.347 68.043 1.00 0.00 N ATOM 736 CA GLY A 48 44.328 43.123 67.277 1.00 0.00 C ATOM 737 C GLY A 48 42.860 42.855 66.875 1.00 0.00 C ATOM 738 O GLY A 48 41.944 43.608 67.197 1.00 0.00 O ATOM 0 H GLY A 48 44.707 44.212 69.041 1.00 0.00 H new ATOM 0 HA2 GLY A 48 44.934 43.166 66.372 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.689 42.277 67.862 1.00 0.00 H new ATOM 742 N PRO A 49 42.675 41.687 66.150 1.00 0.00 N ATOM 743 CA PRO A 49 41.337 41.222 65.766 1.00 0.00 C ATOM 744 C PRO A 49 40.349 41.028 66.945 1.00 0.00 C ATOM 745 O PRO A 49 40.725 40.973 68.115 1.00 0.00 O ATOM 746 CB PRO A 49 41.594 39.788 65.282 1.00 0.00 C ATOM 747 CG PRO A 49 42.969 39.880 64.638 1.00 0.00 C ATOM 748 CD PRO A 49 43.707 40.783 65.627 1.00 0.00 C ATOM 0 HA PRO A 49 40.906 41.947 65.076 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.583 39.076 66.107 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.837 39.462 64.569 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.443 38.903 64.541 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.926 40.314 63.639 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.166 40.202 66.427 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.507 41.337 65.136 1.00 0.00 H new ATOM 756 N TYR A 50 39.039 40.845 66.546 1.00 0.00 N ATOM 757 CA TYR A 50 38.004 40.502 67.541 1.00 0.00 C ATOM 758 C TYR A 50 37.834 38.949 67.519 1.00 0.00 C ATOM 759 O TYR A 50 38.116 38.313 66.501 1.00 0.00 O ATOM 760 CB TYR A 50 36.597 41.191 67.441 1.00 0.00 C ATOM 761 CG TYR A 50 35.791 40.797 66.227 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.039 41.385 64.992 1.00 0.00 C ATOM 763 CD2 TYR A 50 34.742 39.883 66.308 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.265 41.100 63.880 1.00 0.00 C ATOM 765 CE2 TYR A 50 33.963 39.571 65.204 1.00 0.00 C ATOM 766 CZ TYR A 50 34.202 40.195 63.971 1.00 0.00 C ATOM 767 OH TYR A 50 33.413 39.878 62.897 1.00 0.00 O ATOM 0 H TYR A 50 38.706 40.929 65.585 1.00 0.00 H new ATOM 0 HA TYR A 50 38.384 40.905 68.480 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.024 40.949 68.336 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.736 42.272 67.434 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.858 42.083 64.897 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.531 39.406 67.254 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.483 41.579 62.937 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.169 38.844 65.294 1.00 0.00 H new ATOM 0 HH TYR A 50 32.732 39.229 63.172 1.00 0.00 H new ATOM 777 N CYS A 51 37.355 38.334 68.672 1.00 0.00 N ATOM 778 CA CYS A 51 37.500 36.878 68.752 1.00 0.00 C ATOM 779 C CYS A 51 36.313 36.060 69.323 1.00 0.00 C ATOM 780 O CYS A 51 35.475 36.490 70.109 1.00 0.00 O ATOM 781 CB CYS A 51 38.722 36.539 69.619 1.00 0.00 C ATOM 782 SG CYS A 51 40.186 37.514 69.190 1.00 0.00 S ATOM 0 H CYS A 51 36.913 38.796 69.467 1.00 0.00 H new ATOM 0 HA CYS A 51 37.582 36.585 67.705 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.475 36.707 70.667 1.00 0.00 H new ATOM 0 HB3 CYS A 51 38.954 35.479 69.512 1.00 0.00 H new ATOM 787 N CYS A 52 36.386 34.760 68.885 1.00 0.00 N ATOM 788 CA CYS A 52 35.566 33.633 69.290 1.00 0.00 C ATOM 789 C CYS A 52 36.472 32.528 69.926 1.00 0.00 C ATOM 790 O CYS A 52 37.700 32.574 69.822 1.00 0.00 O ATOM 791 CB CYS A 52 34.881 33.089 68.051 1.00 0.00 C ATOM 792 SG CYS A 52 33.576 31.876 68.355 1.00 0.00 S ATOM 0 H CYS A 52 37.079 34.484 68.190 1.00 0.00 H new ATOM 0 HA CYS A 52 34.825 33.942 70.027 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.455 33.925 67.496 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.636 32.633 67.410 1.00 0.00 H new ATOM 797 N GLU A 53 35.830 31.491 70.573 1.00 0.00 N ATOM 798 CA GLU A 53 36.650 30.454 71.209 1.00 0.00 C ATOM 799 C GLU A 53 36.004 29.040 71.084 1.00 0.00 C ATOM 800 O GLU A 53 36.147 28.179 71.953 1.00 0.00 O ATOM 801 CB GLU A 53 37.028 30.857 72.642 1.00 0.00 C ATOM 802 CG GLU A 53 35.843 30.985 73.626 1.00 0.00 C ATOM 803 CD GLU A 53 36.372 30.869 75.052 1.00 0.00 C ATOM 804 OE1 GLU A 53 36.689 29.820 75.585 1.00 0.00 O ATOM 805 OE2 GLU A 53 36.454 32.061 75.651 1.00 0.00 O ATOM 0 H GLU A 53 34.820 31.374 70.653 1.00 0.00 H new ATOM 0 HA GLU A 53 37.592 30.373 70.666 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.728 30.121 73.036 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.554 31.811 72.607 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.339 31.942 73.487 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.106 30.206 73.432 1.00 0.00 H new ATOM 813 N SER A 54 35.370 28.782 69.887 1.00 0.00 N ATOM 814 CA SER A 54 34.709 27.518 69.567 1.00 0.00 C ATOM 815 C SER A 54 35.059 27.047 68.124 1.00 0.00 C ATOM 816 O SER A 54 35.715 27.752 67.357 1.00 0.00 O ATOM 817 CB SER A 54 33.169 27.596 69.663 1.00 0.00 C ATOM 818 OG SER A 54 32.530 28.208 68.548 1.00 0.00 O ATOM 0 H SER A 54 35.318 29.466 69.132 1.00 0.00 H new ATOM 0 HA SER A 54 35.078 26.812 70.311 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.775 26.586 69.780 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.903 28.148 70.564 1.00 0.00 H new ATOM 0 HG SER A 54 31.560 28.214 68.690 1.00 0.00 H new ATOM 824 N ASP A 55 34.572 25.800 67.773 1.00 0.00 N ATOM 825 CA ASP A 55 34.704 25.366 66.381 1.00 0.00 C ATOM 826 C ASP A 55 33.738 26.285 65.524 1.00 0.00 C ATOM 827 O ASP A 55 32.568 26.487 65.854 1.00 0.00 O ATOM 828 CB ASP A 55 34.333 23.879 66.213 1.00 0.00 C ATOM 829 CG ASP A 55 34.568 23.359 64.777 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.595 23.749 64.209 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.698 22.607 64.327 1.00 0.00 O ATOM 0 H ASP A 55 34.120 25.140 68.405 1.00 0.00 H new ATOM 0 HA ASP A 55 35.738 25.463 66.050 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.920 23.282 66.911 1.00 0.00 H new ATOM 0 HB3 ASP A 55 33.285 23.739 66.478 1.00 0.00 H new ATOM 836 N LYS A 56 34.285 26.874 64.390 1.00 0.00 N ATOM 837 CA LYS A 56 33.553 27.608 63.354 1.00 0.00 C ATOM 838 C LYS A 56 33.100 29.043 63.844 1.00 0.00 C ATOM 839 O LYS A 56 33.730 30.045 63.515 1.00 0.00 O ATOM 840 CB LYS A 56 32.389 26.848 62.676 1.00 0.00 C ATOM 841 CG LYS A 56 32.708 25.393 62.267 1.00 0.00 C ATOM 842 CD LYS A 56 33.948 25.184 61.380 1.00 0.00 C ATOM 843 CE LYS A 56 34.087 23.734 60.911 1.00 0.00 C ATOM 844 NZ LYS A 56 34.582 22.872 62.080 1.00 0.00 N ATOM 0 H LYS A 56 35.286 26.830 64.196 1.00 0.00 H new ATOM 0 HA LYS A 56 34.292 27.725 62.562 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.536 26.840 63.355 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.083 27.400 61.787 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.835 24.804 63.175 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.842 24.988 61.743 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.886 25.840 60.512 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.841 25.472 61.934 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.128 23.362 60.550 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.787 23.674 60.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.919 21.957 61.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.361 23.360 62.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.802 22.713 62.749 1.00 0.00 H new ATOM 858 N CYS A 57 31.922 29.101 64.566 1.00 0.00 N ATOM 859 CA CYS A 57 31.254 30.269 65.134 1.00 0.00 C ATOM 860 C CYS A 57 31.087 31.358 64.030 1.00 0.00 C ATOM 861 O CYS A 57 31.655 32.445 64.123 1.00 0.00 O ATOM 862 CB CYS A 57 31.841 30.828 66.458 1.00 0.00 C ATOM 863 SG CYS A 57 33.520 31.482 66.315 1.00 0.00 S ATOM 0 H CYS A 57 31.398 28.248 64.764 1.00 0.00 H new ATOM 0 HA CYS A 57 30.274 29.921 65.462 1.00 0.00 H new ATOM 0 HB2 CYS A 57 31.187 31.618 66.826 1.00 0.00 H new ATOM 0 HB3 CYS A 57 31.836 30.036 67.206 1.00 0.00 H new ATOM 868 N ASN A 58 30.209 31.078 62.995 1.00 0.00 N ATOM 869 CA ASN A 58 29.783 32.104 62.039 1.00 0.00 C ATOM 870 C ASN A 58 30.992 32.569 61.166 1.00 0.00 C ATOM 871 O ASN A 58 31.253 33.768 61.089 1.00 0.00 O ATOM 872 CB ASN A 58 29.015 33.273 62.679 1.00 0.00 C ATOM 873 CG ASN A 58 27.729 32.789 63.327 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.689 32.647 62.711 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.823 32.523 64.649 1.00 0.00 N ATOM 0 H ASN A 58 29.805 30.156 62.828 1.00 0.00 H new ATOM 0 HA ASN A 58 29.050 31.640 61.379 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.642 33.759 63.426 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.785 34.021 61.920 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.006 32.192 65.162 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.711 32.653 65.134 1.00 0.00 H new ATOM 882 N LEU A 59 31.713 31.591 60.494 1.00 0.00 N ATOM 883 CA LEU A 59 32.644 31.892 59.383 1.00 0.00 C ATOM 884 C LEU A 59 33.861 32.730 59.956 1.00 0.00 C ATOM 885 O LEU A 59 33.853 33.946 59.741 1.00 0.00 O ATOM 886 CB LEU A 59 31.882 32.537 58.204 1.00 0.00 C ATOM 887 CG LEU A 59 32.284 32.158 56.759 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.193 30.648 56.482 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.336 32.918 55.815 1.00 0.00 C ATOM 890 OXT LEU A 59 34.703 32.109 60.616 1.00 0.00 O ATOM 0 H LEU A 59 31.651 30.598 60.719 1.00 0.00 H new ATOM 0 HA LEU A 59 33.076 30.986 58.958 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.825 32.300 58.325 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.979 33.618 58.301 1.00 0.00 H new ATOM 0 HG LEU A 59 33.328 32.429 56.602 1.00 0.00 H new ATOM 0 HD11 LEU A 59 32.488 30.449 55.452 1.00 0.00 H new ATOM 0 HD12 LEU A 59 32.858 30.113 57.160 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.168 30.311 56.638 1.00 0.00 H new ATOM 0 HD21 LEU A 59 31.584 32.680 54.781 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.307 32.623 56.018 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.445 33.991 55.976 1.00 0.00 H new TER 902 LEU A 59