USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 22 THR OG1 : rot 180:sc= 0.427 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.07 K(o=1.5,f=0.067) USER MOD Set 2.1: A 20 SER OG : rot -62:sc= 1.17 USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= -0.0925 USER MOD Set 2.3: A 57 SER OG : rot 13:sc= 1.06 USER MOD Set 3.1: A 7 THR OG1 : rot 158:sc= 1.78 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Set 4.1: A 2 GLN : amide:sc= 0.838 K(o=1.6,f=1) USER MOD Set 4.2: A 14 THR OG1 : rot -130:sc= 0.735 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.12 (180deg=-0.338) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.2 (180deg=1.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0.94 (180deg=-0.0188!) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.25) USER MOD Single : A 40 GLN : amide:sc=-0.00482 K(o=-0.0048,f=-0.58) USER MOD Single : A 41 GLN : amide:sc= 1.03 K(o=1,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.33) USER MOD Single : A 59 TYR OH : rot 13:sc= 1.39 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=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.07) USER MOD Single : A 65 SER OG : rot 97:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.213 51.968 18.864 1.00 0.00 N ATOM 2 CA MET A 1 33.386 51.603 20.279 1.00 0.00 C ATOM 3 C MET A 1 34.796 51.993 20.727 1.00 0.00 C ATOM 4 O MET A 1 35.738 51.865 19.948 1.00 0.00 O ATOM 5 CB MET A 1 33.057 50.131 20.510 1.00 0.00 C ATOM 6 CG MET A 1 32.891 49.749 21.978 1.00 0.00 C ATOM 7 SD MET A 1 34.407 49.274 22.845 1.00 0.00 S ATOM 8 CE MET A 1 34.505 47.522 22.401 1.00 0.00 C ATOM 0 H1 MET A 1 32.205 51.913 18.612 1.00 0.00 H new ATOM 0 H2 MET A 1 33.556 52.938 18.711 1.00 0.00 H new ATOM 0 H3 MET A 1 33.755 51.311 18.267 1.00 0.00 H new ATOM 0 HA MET A 1 32.681 52.156 20.899 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.138 49.888 19.977 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.849 49.521 20.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.443 50.591 22.505 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.185 48.921 22.041 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.281 47.039 22.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.546 47.043 22.597 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.748 47.428 21.342 1.00 0.00 H new ATOM 20 N GLN A 2 34.953 52.499 21.947 1.00 0.00 N ATOM 21 CA GLN A 2 36.209 53.003 22.465 1.00 0.00 C ATOM 22 C GLN A 2 36.849 52.039 23.465 1.00 0.00 C ATOM 23 O GLN A 2 36.210 51.668 24.448 1.00 0.00 O ATOM 24 CB GLN A 2 35.968 54.371 23.095 1.00 0.00 C ATOM 25 CG GLN A 2 37.249 55.000 23.635 1.00 0.00 C ATOM 26 CD GLN A 2 37.055 56.416 24.180 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.954 56.852 24.510 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.125 57.194 24.319 1.00 0.00 N ATOM 0 H GLN A 2 34.186 52.569 22.616 1.00 0.00 H new ATOM 0 HA GLN A 2 36.914 53.098 21.639 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.525 55.036 22.353 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.246 54.272 23.906 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.649 54.367 24.427 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.994 55.025 22.840 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.046 56.848 24.050 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.025 58.137 24.695 1.00 0.00 H new ATOM 37 N ILE A 3 38.138 51.747 23.309 1.00 0.00 N ATOM 38 CA ILE A 3 38.958 51.122 24.327 1.00 0.00 C ATOM 39 C ILE A 3 40.260 51.902 24.519 1.00 0.00 C ATOM 40 O ILE A 3 40.705 52.588 23.602 1.00 0.00 O ATOM 41 CB ILE A 3 39.229 49.644 24.056 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.013 49.401 22.770 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.932 48.843 24.101 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.470 47.959 22.571 1.00 0.00 C ATOM 0 H ILE A 3 38.647 51.946 22.448 1.00 0.00 H new ATOM 0 HA ILE A 3 38.389 51.155 25.256 1.00 0.00 H new ATOM 0 HB ILE A 3 39.876 49.287 24.857 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.394 49.693 21.921 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.888 50.050 22.765 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.146 47.792 23.905 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.476 48.943 25.086 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.245 49.220 23.344 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.019 47.877 21.633 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.118 47.665 23.397 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.600 47.303 22.541 1.00 0.00 H new ATOM 56 N PHE A 4 40.886 51.761 25.683 1.00 0.00 N ATOM 57 CA PHE A 4 42.189 52.328 25.970 1.00 0.00 C ATOM 58 C PHE A 4 43.275 51.250 25.989 1.00 0.00 C ATOM 59 O PHE A 4 43.062 50.143 26.479 1.00 0.00 O ATOM 60 CB PHE A 4 42.163 53.086 27.293 1.00 0.00 C ATOM 61 CG PHE A 4 41.261 54.296 27.305 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.028 54.250 27.967 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.681 55.484 26.694 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.220 55.392 28.025 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.867 56.623 26.740 1.00 0.00 C ATOM 66 CZ PHE A 4 39.640 56.579 27.413 1.00 0.00 C ATOM 0 H PHE A 4 40.490 51.239 26.465 1.00 0.00 H new ATOM 0 HA PHE A 4 42.431 53.029 25.171 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.845 52.404 28.081 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.177 53.403 27.535 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.700 53.333 28.433 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.634 55.522 26.187 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.272 55.357 28.542 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.186 57.535 26.257 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.018 57.460 27.460 1.00 0.00 H new ATOM 76 N VAL A 5 44.465 51.600 25.509 1.00 0.00 N ATOM 77 CA VAL A 5 45.657 50.781 25.597 1.00 0.00 C ATOM 78 C VAL A 5 46.717 51.505 26.428 1.00 0.00 C ATOM 79 O VAL A 5 47.138 52.605 26.079 1.00 0.00 O ATOM 80 CB VAL A 5 46.157 50.372 24.215 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.524 49.694 24.260 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.166 49.411 23.564 1.00 0.00 C ATOM 0 H VAL A 5 44.625 52.489 25.035 1.00 0.00 H new ATOM 0 HA VAL A 5 45.417 49.849 26.109 1.00 0.00 H new ATOM 0 HB VAL A 5 46.250 51.290 23.635 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.830 49.425 23.249 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.255 50.378 24.690 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.464 48.794 24.873 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.531 49.125 22.578 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.061 48.521 24.185 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.197 49.900 23.464 1.00 0.00 H new ATOM 92 N LYS A 6 47.149 50.879 27.519 1.00 0.00 N ATOM 93 CA LYS A 6 48.214 51.334 28.390 1.00 0.00 C ATOM 94 C LYS A 6 49.527 50.633 28.035 1.00 0.00 C ATOM 95 O LYS A 6 49.553 49.413 27.890 1.00 0.00 O ATOM 96 CB LYS A 6 47.813 51.113 29.846 1.00 0.00 C ATOM 97 CG LYS A 6 48.903 51.525 30.831 1.00 0.00 C ATOM 98 CD LYS A 6 48.437 51.314 32.268 1.00 0.00 C ATOM 99 CE LYS A 6 49.606 51.491 33.233 1.00 0.00 C ATOM 100 NZ LYS A 6 49.262 51.012 34.580 1.00 0.00 N ATOM 0 H LYS A 6 46.742 49.997 27.830 1.00 0.00 H new ATOM 0 HA LYS A 6 48.377 52.403 28.249 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.906 51.679 30.058 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.574 50.060 29.996 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.806 50.943 30.647 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.162 52.572 30.677 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.646 52.024 32.509 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.013 50.316 32.378 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.474 50.946 32.861 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.887 52.543 33.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.076 51.145 35.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.449 51.550 34.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.018 50.002 34.537 1.00 0.00 H new ATOM 114 N THR A 7 50.617 51.388 27.931 1.00 0.00 N ATOM 115 CA THR A 7 51.932 50.880 27.595 1.00 0.00 C ATOM 116 C THR A 7 52.781 50.615 28.839 1.00 0.00 C ATOM 117 O THR A 7 52.528 51.145 29.918 1.00 0.00 O ATOM 118 CB THR A 7 52.678 51.831 26.663 1.00 0.00 C ATOM 119 OG1 THR A 7 53.069 52.982 27.380 1.00 0.00 O ATOM 120 CG2 THR A 7 51.867 52.280 25.451 1.00 0.00 C ATOM 0 H THR A 7 50.603 52.396 28.083 1.00 0.00 H new ATOM 0 HA THR A 7 51.770 49.933 27.081 1.00 0.00 H new ATOM 0 HB THR A 7 53.535 51.270 26.289 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.824 53.410 26.925 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.468 52.953 24.840 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.584 51.409 24.860 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.969 52.799 25.786 1.00 0.00 H new ATOM 128 N LEU A 8 53.871 49.871 28.673 1.00 0.00 N ATOM 129 CA LEU A 8 54.944 49.747 29.638 1.00 0.00 C ATOM 130 C LEU A 8 55.882 50.956 29.663 1.00 0.00 C ATOM 131 O LEU A 8 56.921 50.925 30.316 1.00 0.00 O ATOM 132 CB LEU A 8 55.660 48.425 29.374 1.00 0.00 C ATOM 133 CG LEU A 8 56.504 47.846 30.506 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.745 47.622 31.811 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.059 46.497 30.058 1.00 0.00 C ATOM 0 H LEU A 8 54.031 49.320 27.830 1.00 0.00 H new ATOM 0 HA LEU A 8 54.527 49.735 30.645 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.909 47.684 29.101 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.306 48.559 28.507 1.00 0.00 H new ATOM 0 HG LEU A 8 57.281 48.583 30.710 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.422 47.209 32.559 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.346 48.572 32.167 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.924 46.925 31.640 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.665 46.070 30.857 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.234 45.823 29.828 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.675 46.634 29.169 1.00 0.00 H new ATOM 147 N THR A 9 55.527 52.030 28.963 1.00 0.00 N ATOM 148 CA THR A 9 56.178 53.325 28.957 1.00 0.00 C ATOM 149 C THR A 9 55.311 54.412 29.596 1.00 0.00 C ATOM 150 O THR A 9 55.595 55.600 29.461 1.00 0.00 O ATOM 151 CB THR A 9 56.613 53.738 27.554 1.00 0.00 C ATOM 152 OG1 THR A 9 55.493 53.833 26.704 1.00 0.00 O ATOM 153 CG2 THR A 9 57.591 52.757 26.914 1.00 0.00 C ATOM 0 H THR A 9 54.718 52.010 28.342 1.00 0.00 H new ATOM 0 HA THR A 9 57.074 53.218 29.568 1.00 0.00 H new ATOM 0 HB THR A 9 57.112 54.700 27.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.785 54.100 25.807 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.860 53.109 25.918 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.488 52.685 27.528 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.124 51.775 26.838 1.00 0.00 H new ATOM 161 N GLY A 10 54.229 54.045 30.275 1.00 0.00 N ATOM 162 CA GLY A 10 53.339 54.952 30.973 1.00 0.00 C ATOM 163 C GLY A 10 52.401 55.773 30.085 1.00 0.00 C ATOM 164 O GLY A 10 51.704 56.645 30.598 1.00 0.00 O ATOM 0 H GLY A 10 53.941 53.070 30.354 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.735 54.373 31.672 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.942 55.639 31.566 1.00 0.00 H new ATOM 168 N LYS A 11 52.350 55.508 28.783 1.00 0.00 N ATOM 169 CA LYS A 11 51.445 56.142 27.846 1.00 0.00 C ATOM 170 C LYS A 11 50.075 55.463 27.885 1.00 0.00 C ATOM 171 O LYS A 11 50.004 54.249 28.064 1.00 0.00 O ATOM 172 CB LYS A 11 52.053 56.125 26.446 1.00 0.00 C ATOM 173 CG LYS A 11 51.389 57.134 25.514 1.00 0.00 C ATOM 174 CD LYS A 11 51.957 57.098 24.098 1.00 0.00 C ATOM 175 CE LYS A 11 51.426 58.306 23.332 1.00 0.00 C ATOM 176 NZ LYS A 11 52.010 58.414 21.987 1.00 0.00 N ATOM 0 H LYS A 11 52.961 54.821 28.342 1.00 0.00 H new ATOM 0 HA LYS A 11 51.297 57.183 28.132 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.119 56.342 26.513 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.957 55.125 26.023 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.318 56.935 25.476 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.513 58.136 25.924 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.046 57.117 24.126 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.667 56.174 23.597 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.341 58.234 23.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.643 59.214 23.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.659 59.276 21.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.046 58.459 22.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.739 57.583 21.423 1.00 0.00 H new ATOM 190 N THR A 12 49.004 56.220 27.664 1.00 0.00 N ATOM 191 CA THR A 12 47.668 55.697 27.467 1.00 0.00 C ATOM 192 C THR A 12 47.089 56.247 26.161 1.00 0.00 C ATOM 193 O THR A 12 46.857 57.448 26.051 1.00 0.00 O ATOM 194 CB THR A 12 46.756 56.028 28.645 1.00 0.00 C ATOM 195 OG1 THR A 12 47.305 55.550 29.853 1.00 0.00 O ATOM 196 CG2 THR A 12 45.385 55.375 28.505 1.00 0.00 C ATOM 0 H THR A 12 49.049 57.238 27.617 1.00 0.00 H new ATOM 0 HA THR A 12 47.730 54.611 27.403 1.00 0.00 H new ATOM 0 HB THR A 12 46.659 57.114 28.653 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.706 55.774 30.596 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.768 55.637 29.365 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.905 55.729 27.593 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.501 54.292 28.458 1.00 0.00 H new ATOM 204 N ILE A 13 46.857 55.385 25.175 1.00 0.00 N ATOM 205 CA ILE A 13 46.268 55.736 23.900 1.00 0.00 C ATOM 206 C ILE A 13 44.819 55.253 23.812 1.00 0.00 C ATOM 207 O ILE A 13 44.454 54.281 24.468 1.00 0.00 O ATOM 208 CB ILE A 13 47.112 55.252 22.724 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.128 53.733 22.580 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.524 55.826 22.811 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.873 53.220 21.351 1.00 0.00 C ATOM 0 H ILE A 13 47.083 54.393 25.250 1.00 0.00 H new ATOM 0 HA ILE A 13 46.252 56.824 23.834 1.00 0.00 H new ATOM 0 HB ILE A 13 46.639 55.626 21.816 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.583 53.301 23.471 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.100 53.374 22.542 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.114 55.472 21.965 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.476 56.915 22.789 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.992 55.502 23.741 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.833 52.131 21.330 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.406 53.618 20.450 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.913 53.544 21.394 1.00 0.00 H new ATOM 223 N THR A 14 43.997 55.900 22.991 1.00 0.00 N ATOM 224 CA THR A 14 42.646 55.468 22.695 1.00 0.00 C ATOM 225 C THR A 14 42.562 54.807 21.317 1.00 0.00 C ATOM 226 O THR A 14 43.286 55.210 20.409 1.00 0.00 O ATOM 227 CB THR A 14 41.655 56.618 22.856 1.00 0.00 C ATOM 228 OG1 THR A 14 40.336 56.123 22.868 1.00 0.00 O ATOM 229 CG2 THR A 14 41.726 57.724 21.808 1.00 0.00 C ATOM 0 H THR A 14 44.263 56.757 22.506 1.00 0.00 H new ATOM 0 HA THR A 14 42.365 54.706 23.422 1.00 0.00 H new ATOM 0 HB THR A 14 41.945 57.076 23.802 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.790 56.632 22.233 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.975 58.483 22.028 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.717 58.178 21.825 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.537 57.302 20.821 1.00 0.00 H new ATOM 237 N LEU A 15 41.707 53.804 21.143 1.00 0.00 N ATOM 238 CA LEU A 15 41.447 53.148 19.878 1.00 0.00 C ATOM 239 C LEU A 15 39.971 53.243 19.487 1.00 0.00 C ATOM 240 O LEU A 15 39.100 53.335 20.350 1.00 0.00 O ATOM 241 CB LEU A 15 41.879 51.684 19.934 1.00 0.00 C ATOM 242 CG LEU A 15 43.344 51.419 20.266 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.578 49.911 20.281 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.326 52.026 19.268 1.00 0.00 C ATOM 0 H LEU A 15 41.159 53.416 21.911 1.00 0.00 H new ATOM 0 HA LEU A 15 42.032 53.664 19.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.264 51.175 20.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.660 51.226 18.969 1.00 0.00 H new ATOM 0 HG LEU A 15 43.528 51.887 21.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.622 49.707 20.517 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.939 49.451 21.035 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.340 49.496 19.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.346 51.793 19.574 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.141 51.611 18.277 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.194 53.108 19.239 1.00 0.00 H new ATOM 256 N GLU A 16 39.691 53.180 18.188 1.00 0.00 N ATOM 257 CA GLU A 16 38.367 53.015 17.625 1.00 0.00 C ATOM 258 C GLU A 16 38.207 51.587 17.099 1.00 0.00 C ATOM 259 O GLU A 16 38.855 51.186 16.134 1.00 0.00 O ATOM 260 CB GLU A 16 38.119 54.041 16.523 1.00 0.00 C ATOM 261 CG GLU A 16 37.933 55.464 17.042 1.00 0.00 C ATOM 262 CD GLU A 16 36.689 55.640 17.915 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.634 55.029 17.638 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.748 56.456 18.859 1.00 0.00 O ATOM 0 H GLU A 16 40.416 53.246 17.474 1.00 0.00 H new ATOM 0 HA GLU A 16 37.623 53.184 18.403 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.958 54.024 15.827 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.232 53.750 15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.814 55.750 17.617 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.871 56.146 16.194 1.00 0.00 H new ATOM 271 N VAL A 17 37.371 50.806 17.776 1.00 0.00 N ATOM 272 CA VAL A 17 37.114 49.399 17.536 1.00 0.00 C ATOM 273 C VAL A 17 35.612 49.138 17.397 1.00 0.00 C ATOM 274 O VAL A 17 34.779 49.928 17.834 1.00 0.00 O ATOM 275 CB VAL A 17 37.701 48.537 18.650 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.227 48.578 18.650 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.213 48.933 20.040 1.00 0.00 C ATOM 0 H VAL A 17 36.822 51.167 18.556 1.00 0.00 H new ATOM 0 HA VAL A 17 37.602 49.126 16.600 1.00 0.00 H new ATOM 0 HB VAL A 17 37.351 47.527 18.435 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.608 47.952 19.457 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.601 48.207 17.696 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.563 49.604 18.797 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.668 48.281 20.785 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.493 49.967 20.243 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.128 48.835 20.086 1.00 0.00 H new ATOM 287 N GLU A 18 35.240 47.999 16.819 1.00 0.00 N ATOM 288 CA GLU A 18 33.872 47.522 16.865 1.00 0.00 C ATOM 289 C GLU A 18 33.561 46.848 18.202 1.00 0.00 C ATOM 290 O GLU A 18 34.462 46.296 18.830 1.00 0.00 O ATOM 291 CB GLU A 18 33.602 46.600 15.679 1.00 0.00 C ATOM 292 CG GLU A 18 33.680 47.290 14.320 1.00 0.00 C ATOM 293 CD GLU A 18 32.729 48.481 14.201 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.504 48.308 14.387 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.196 49.606 13.920 1.00 0.00 O ATOM 0 H GLU A 18 35.879 47.388 16.310 1.00 0.00 H new ATOM 0 HA GLU A 18 33.199 48.376 16.787 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.320 45.780 15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.612 46.159 15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.702 47.629 14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.448 46.567 13.538 1.00 0.00 H new ATOM 302 N PRO A 19 32.314 46.826 18.664 1.00 0.00 N ATOM 303 CA PRO A 19 31.916 46.100 19.854 1.00 0.00 C ATOM 304 C PRO A 19 32.353 44.633 19.867 1.00 0.00 C ATOM 305 O PRO A 19 32.695 44.110 20.925 1.00 0.00 O ATOM 306 CB PRO A 19 30.396 46.220 19.911 1.00 0.00 C ATOM 307 CG PRO A 19 30.122 47.552 19.219 1.00 0.00 C ATOM 308 CD PRO A 19 31.191 47.569 18.130 1.00 0.00 C ATOM 0 HA PRO A 19 32.408 46.527 20.728 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.908 45.392 19.397 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.031 46.218 20.938 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.115 47.596 18.803 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.222 48.395 19.902 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.821 47.112 17.212 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.481 48.590 17.883 1.00 0.00 H new ATOM 316 N SER A 20 32.391 44.010 18.693 1.00 0.00 N ATOM 317 CA SER A 20 32.855 42.661 18.437 1.00 0.00 C ATOM 318 C SER A 20 34.057 42.620 17.491 1.00 0.00 C ATOM 319 O SER A 20 34.081 41.800 16.576 1.00 0.00 O ATOM 320 CB SER A 20 31.706 41.796 17.927 1.00 0.00 C ATOM 321 OG SER A 20 30.582 41.794 18.778 1.00 0.00 O ATOM 0 H SER A 20 32.075 44.471 17.840 1.00 0.00 H new ATOM 0 HA SER A 20 33.206 42.250 19.384 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.405 42.151 16.941 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.060 40.772 17.803 1.00 0.00 H new ATOM 0 HG SER A 20 30.831 41.417 19.648 1.00 0.00 H new ATOM 327 N ASP A 21 35.054 43.480 17.673 1.00 0.00 N ATOM 328 CA ASP A 21 36.332 43.422 16.993 1.00 0.00 C ATOM 329 C ASP A 21 37.271 42.362 17.573 1.00 0.00 C ATOM 330 O ASP A 21 37.219 42.091 18.771 1.00 0.00 O ATOM 331 CB ASP A 21 37.032 44.778 17.022 1.00 0.00 C ATOM 332 CG ASP A 21 37.348 45.348 15.638 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.599 44.575 14.687 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.350 46.589 15.497 1.00 0.00 O ATOM 0 H ASP A 21 34.986 44.263 18.323 1.00 0.00 H new ATOM 0 HA ASP A 21 36.106 43.142 15.964 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.404 45.488 17.560 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.961 44.683 17.585 1.00 0.00 H new ATOM 339 N THR A 22 38.146 41.771 16.763 1.00 0.00 N ATOM 340 CA THR A 22 39.083 40.755 17.195 1.00 0.00 C ATOM 341 C THR A 22 40.305 41.322 17.919 1.00 0.00 C ATOM 342 O THR A 22 40.730 42.446 17.659 1.00 0.00 O ATOM 343 CB THR A 22 39.548 39.825 16.078 1.00 0.00 C ATOM 344 OG1 THR A 22 40.434 40.478 15.196 1.00 0.00 O ATOM 345 CG2 THR A 22 38.404 39.259 15.241 1.00 0.00 C ATOM 0 H THR A 22 38.219 41.994 15.770 1.00 0.00 H new ATOM 0 HA THR A 22 38.502 40.166 17.904 1.00 0.00 H new ATOM 0 HB THR A 22 40.046 39.005 16.595 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.714 39.855 14.493 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.808 38.607 14.466 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.732 38.688 15.882 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.854 40.077 14.776 1.00 0.00 H new ATOM 353 N ILE A 23 40.937 40.523 18.776 1.00 0.00 N ATOM 354 CA ILE A 23 42.206 40.854 19.391 1.00 0.00 C ATOM 355 C ILE A 23 43.308 41.084 18.355 1.00 0.00 C ATOM 356 O ILE A 23 44.149 41.962 18.531 1.00 0.00 O ATOM 357 CB ILE A 23 42.557 39.776 20.412 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.665 39.845 21.648 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.025 39.746 20.827 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.749 41.110 22.498 1.00 0.00 C ATOM 0 H ILE A 23 40.570 39.615 19.062 1.00 0.00 H new ATOM 0 HA ILE A 23 42.116 41.805 19.915 1.00 0.00 H new ATOM 0 HB ILE A 23 42.369 38.841 19.885 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.631 39.722 21.326 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.904 38.993 22.285 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.181 38.949 21.554 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.647 39.565 19.951 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.297 40.703 21.273 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.065 41.027 23.343 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.767 41.234 22.867 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.475 41.974 21.893 1.00 0.00 H new ATOM 372 N GLU A 24 43.274 40.370 17.233 1.00 0.00 N ATOM 373 CA GLU A 24 44.169 40.581 16.112 1.00 0.00 C ATOM 374 C GLU A 24 43.969 41.943 15.446 1.00 0.00 C ATOM 375 O GLU A 24 44.950 42.617 15.135 1.00 0.00 O ATOM 376 CB GLU A 24 43.958 39.411 15.154 1.00 0.00 C ATOM 377 CG GLU A 24 44.676 39.516 13.812 1.00 0.00 C ATOM 378 CD GLU A 24 44.478 38.217 13.029 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.508 38.105 12.248 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.286 37.285 13.228 1.00 0.00 O ATOM 0 H GLU A 24 42.607 39.614 17.080 1.00 0.00 H new ATOM 0 HA GLU A 24 45.205 40.606 16.451 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.285 38.497 15.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.889 39.307 14.966 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.286 40.360 13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.739 39.701 13.969 1.00 0.00 H new ATOM 387 N ASN A 25 42.730 42.401 15.295 1.00 0.00 N ATOM 388 CA ASN A 25 42.431 43.736 14.815 1.00 0.00 C ATOM 389 C ASN A 25 42.868 44.813 15.810 1.00 0.00 C ATOM 390 O ASN A 25 43.341 45.866 15.389 1.00 0.00 O ATOM 391 CB ASN A 25 40.953 43.854 14.455 1.00 0.00 C ATOM 392 CG ASN A 25 40.501 43.010 13.262 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.285 42.464 12.488 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.191 42.917 13.054 1.00 0.00 N ATOM 0 H ASN A 25 41.901 41.846 15.506 1.00 0.00 H new ATOM 0 HA ASN A 25 43.011 43.906 13.908 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.360 43.570 15.325 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.730 44.900 14.244 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.838 42.393 12.253 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.539 43.369 13.695 1.00 0.00 H new ATOM 401 N VAL A 26 42.804 44.563 17.114 1.00 0.00 N ATOM 402 CA VAL A 26 43.348 45.461 18.113 1.00 0.00 C ATOM 403 C VAL A 26 44.869 45.577 17.984 1.00 0.00 C ATOM 404 O VAL A 26 45.369 46.699 17.959 1.00 0.00 O ATOM 405 CB VAL A 26 42.920 45.081 19.528 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.539 45.983 20.592 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.407 45.199 19.689 1.00 0.00 C ATOM 0 H VAL A 26 42.370 43.726 17.504 1.00 0.00 H new ATOM 0 HA VAL A 26 42.927 46.448 17.922 1.00 0.00 H new ATOM 0 HB VAL A 26 43.261 44.055 19.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.200 45.667 21.579 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.626 45.912 20.542 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.234 47.015 20.417 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.127 44.923 20.706 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.099 46.226 19.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.913 44.532 18.983 1.00 0.00 H new ATOM 417 N LYS A 27 45.606 44.483 17.811 1.00 0.00 N ATOM 418 CA LYS A 27 47.035 44.522 17.570 1.00 0.00 C ATOM 419 C LYS A 27 47.396 45.333 16.324 1.00 0.00 C ATOM 420 O LYS A 27 48.355 46.100 16.354 1.00 0.00 O ATOM 421 CB LYS A 27 47.613 43.114 17.464 1.00 0.00 C ATOM 422 CG LYS A 27 47.642 42.318 18.767 1.00 0.00 C ATOM 423 CD LYS A 27 48.170 40.911 18.503 1.00 0.00 C ATOM 424 CE LYS A 27 48.268 40.086 19.782 1.00 0.00 C ATOM 425 NZ LYS A 27 48.610 38.688 19.483 1.00 0.00 N ATOM 0 H LYS A 27 45.219 43.539 17.835 1.00 0.00 H new ATOM 0 HA LYS A 27 47.479 45.024 18.429 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.032 42.556 16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.630 43.185 17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.274 42.822 19.498 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.641 42.266 19.194 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.514 40.405 17.795 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.153 40.975 18.037 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.024 40.516 20.439 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.320 40.125 20.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.255 38.073 20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.175 38.409 18.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.643 38.591 19.414 1.00 0.00 H new ATOM 439 N ALA A 28 46.613 45.228 15.255 1.00 0.00 N ATOM 440 CA ALA A 28 46.802 46.018 14.055 1.00 0.00 C ATOM 441 C ALA A 28 46.540 47.510 14.279 1.00 0.00 C ATOM 442 O ALA A 28 47.295 48.348 13.791 1.00 0.00 O ATOM 443 CB ALA A 28 45.915 45.444 12.954 1.00 0.00 C ATOM 0 H ALA A 28 45.823 44.584 15.202 1.00 0.00 H new ATOM 0 HA ALA A 28 47.848 45.955 13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.044 46.027 12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.194 44.407 12.765 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.872 45.487 13.268 1.00 0.00 H new ATOM 449 N LYS A 29 45.519 47.869 15.051 1.00 0.00 N ATOM 450 CA LYS A 29 45.207 49.241 15.398 1.00 0.00 C ATOM 451 C LYS A 29 46.241 49.867 16.336 1.00 0.00 C ATOM 452 O LYS A 29 46.470 51.073 16.261 1.00 0.00 O ATOM 453 CB LYS A 29 43.804 49.310 15.993 1.00 0.00 C ATOM 454 CG LYS A 29 42.710 49.086 14.952 1.00 0.00 C ATOM 455 CD LYS A 29 41.372 48.799 15.626 1.00 0.00 C ATOM 456 CE LYS A 29 40.264 48.491 14.622 1.00 0.00 C ATOM 457 NZ LYS A 29 39.752 49.698 13.957 1.00 0.00 N ATOM 0 H LYS A 29 44.873 47.193 15.460 1.00 0.00 H new ATOM 0 HA LYS A 29 45.241 49.831 14.482 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.710 48.561 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.660 50.284 16.461 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.621 49.967 14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.983 48.252 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.486 47.955 16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.082 49.659 16.230 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.643 47.799 13.870 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.444 47.987 15.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.896 49.460 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.522 50.417 14.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.476 50.072 13.311 1.00 0.00 H new ATOM 471 N ILE A 30 46.920 49.072 17.158 1.00 0.00 N ATOM 472 CA ILE A 30 48.055 49.501 17.949 1.00 0.00 C ATOM 473 C ILE A 30 49.241 49.862 17.052 1.00 0.00 C ATOM 474 O ILE A 30 49.881 50.887 17.278 1.00 0.00 O ATOM 475 CB ILE A 30 48.396 48.448 18.999 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.323 48.429 20.086 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.768 48.670 19.627 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.376 47.208 21.001 1.00 0.00 C ATOM 0 H ILE A 30 46.685 48.088 17.291 1.00 0.00 H new ATOM 0 HA ILE A 30 47.794 50.412 18.488 1.00 0.00 H new ATOM 0 HB ILE A 30 48.427 47.485 18.490 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.422 49.328 20.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.342 48.471 19.612 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.960 47.893 20.367 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.534 48.630 18.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.793 49.646 20.112 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.580 47.275 21.743 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.244 46.303 20.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.341 47.173 21.506 1.00 0.00 H new ATOM 490 N GLN A 31 49.521 49.087 16.008 1.00 0.00 N ATOM 491 CA GLN A 31 50.583 49.375 15.066 1.00 0.00 C ATOM 492 C GLN A 31 50.350 50.683 14.305 1.00 0.00 C ATOM 493 O GLN A 31 51.275 51.478 14.156 1.00 0.00 O ATOM 494 CB GLN A 31 50.750 48.205 14.101 1.00 0.00 C ATOM 495 CG GLN A 31 51.985 48.380 13.223 1.00 0.00 C ATOM 496 CD GLN A 31 52.243 47.208 12.273 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.415 46.324 12.062 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.414 47.176 11.643 1.00 0.00 N ATOM 0 H GLN A 31 49.007 48.232 15.795 1.00 0.00 H new ATOM 0 HA GLN A 31 51.504 49.507 15.635 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.831 47.275 14.664 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.864 48.121 13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.875 49.292 12.637 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.857 48.515 13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.105 47.906 11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.621 46.421 10.989 1.00 0.00 H new ATOM 507 N ASP A 32 49.115 50.940 13.885 1.00 0.00 N ATOM 508 CA ASP A 32 48.708 52.159 13.216 1.00 0.00 C ATOM 509 C ASP A 32 49.039 53.442 13.982 1.00 0.00 C ATOM 510 O ASP A 32 49.311 54.468 13.363 1.00 0.00 O ATOM 511 CB ASP A 32 47.218 52.039 12.909 1.00 0.00 C ATOM 512 CG ASP A 32 46.542 53.345 12.489 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.919 53.924 11.447 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.610 53.772 13.204 1.00 0.00 O ATOM 0 H ASP A 32 48.348 50.279 14.008 1.00 0.00 H new ATOM 0 HA ASP A 32 49.286 52.258 12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.083 51.305 12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.710 51.651 13.792 1.00 0.00 H new ATOM 519 N LYS A 33 49.094 53.395 15.310 1.00 0.00 N ATOM 520 CA LYS A 33 49.471 54.518 16.145 1.00 0.00 C ATOM 521 C LYS A 33 50.915 54.490 16.648 1.00 0.00 C ATOM 522 O LYS A 33 51.579 55.523 16.591 1.00 0.00 O ATOM 523 CB LYS A 33 48.469 54.688 17.283 1.00 0.00 C ATOM 524 CG LYS A 33 47.146 55.221 16.742 1.00 0.00 C ATOM 525 CD LYS A 33 46.152 55.553 17.850 1.00 0.00 C ATOM 526 CE LYS A 33 44.895 56.140 17.213 1.00 0.00 C ATOM 527 NZ LYS A 33 44.001 56.729 18.222 1.00 0.00 N ATOM 0 H LYS A 33 48.872 52.554 15.842 1.00 0.00 H new ATOM 0 HA LYS A 33 49.436 55.397 15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.308 53.732 17.782 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.868 55.374 18.030 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.334 56.115 16.148 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.706 54.481 16.074 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.905 54.656 18.419 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.589 56.264 18.551 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.177 56.902 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.365 55.360 16.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.128 57.057 17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.767 56.013 18.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.475 57.534 18.679 1.00 0.00 H new ATOM 541 N GLU A 34 51.413 53.359 17.140 1.00 0.00 N ATOM 542 CA GLU A 34 52.662 53.284 17.870 1.00 0.00 C ATOM 543 C GLU A 34 53.723 52.367 17.259 1.00 0.00 C ATOM 544 O GLU A 34 54.793 52.196 17.837 1.00 0.00 O ATOM 545 CB GLU A 34 52.376 52.962 19.333 1.00 0.00 C ATOM 546 CG GLU A 34 51.546 54.001 20.082 1.00 0.00 C ATOM 547 CD GLU A 34 52.207 55.375 20.207 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.441 55.451 20.389 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.496 56.402 20.149 1.00 0.00 O ATOM 0 H GLU A 34 50.947 52.457 17.038 1.00 0.00 H new ATOM 0 HA GLU A 34 53.124 54.269 17.797 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.858 52.004 19.382 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.326 52.838 19.852 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.589 54.118 19.573 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.331 53.623 21.082 1.00 0.00 H new ATOM 556 N GLY A 35 53.484 51.795 16.081 1.00 0.00 N ATOM 557 CA GLY A 35 54.521 51.216 15.251 1.00 0.00 C ATOM 558 C GLY A 35 55.106 49.865 15.669 1.00 0.00 C ATOM 559 O GLY A 35 56.173 49.494 15.186 1.00 0.00 O ATOM 0 H GLY A 35 52.550 51.723 15.677 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.121 51.109 14.243 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.341 51.932 15.194 1.00 0.00 H new ATOM 563 N ILE A 36 54.438 49.113 16.540 1.00 0.00 N ATOM 564 CA ILE A 36 54.864 47.806 16.999 1.00 0.00 C ATOM 565 C ILE A 36 54.323 46.717 16.069 1.00 0.00 C ATOM 566 O ILE A 36 53.104 46.602 15.968 1.00 0.00 O ATOM 567 CB ILE A 36 54.430 47.541 18.438 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.709 48.697 19.393 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.140 46.294 18.958 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.505 49.613 19.591 1.00 0.00 C ATOM 0 H ILE A 36 53.556 49.412 16.956 1.00 0.00 H new ATOM 0 HA ILE A 36 55.954 47.786 16.977 1.00 0.00 H new ATOM 0 HB ILE A 36 53.348 47.408 18.410 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.016 48.296 20.359 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.545 49.283 19.011 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.832 46.102 19.986 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.877 45.439 18.335 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.218 46.449 18.925 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.768 50.415 20.281 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.211 50.040 18.632 1.00 0.00 H new ATOM 0 HD13 ILE A 36 52.675 49.039 20.002 1.00 0.00 H new ATOM 582 N PRO A 37 55.148 45.883 15.442 1.00 0.00 N ATOM 583 CA PRO A 37 54.681 44.745 14.677 1.00 0.00 C ATOM 584 C PRO A 37 53.843 43.783 15.520 1.00 0.00 C ATOM 585 O PRO A 37 54.218 43.489 16.652 1.00 0.00 O ATOM 586 CB PRO A 37 55.926 44.052 14.130 1.00 0.00 C ATOM 587 CG PRO A 37 56.962 45.171 14.102 1.00 0.00 C ATOM 588 CD PRO A 37 56.588 46.000 15.327 1.00 0.00 C ATOM 0 HA PRO A 37 54.023 45.077 13.873 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.241 43.227 14.769 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.753 43.638 13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.979 44.784 14.169 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.903 45.755 13.184 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.086 45.626 16.222 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.890 47.040 15.205 1.00 0.00 H new ATOM 596 N PRO A 38 52.722 43.266 15.022 1.00 0.00 N ATOM 597 CA PRO A 38 51.746 42.565 15.832 1.00 0.00 C ATOM 598 C PRO A 38 52.232 41.211 16.353 1.00 0.00 C ATOM 599 O PRO A 38 51.750 40.758 17.389 1.00 0.00 O ATOM 600 CB PRO A 38 50.505 42.440 14.953 1.00 0.00 C ATOM 601 CG PRO A 38 51.075 42.436 13.537 1.00 0.00 C ATOM 602 CD PRO A 38 52.241 43.412 13.663 1.00 0.00 C ATOM 0 HA PRO A 38 51.541 43.121 16.747 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.952 41.525 15.166 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.818 43.272 15.107 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.405 41.443 13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.343 42.768 12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.025 43.182 12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.919 44.435 13.468 1.00 0.00 H new ATOM 610 N ASP A 39 53.232 40.592 15.731 1.00 0.00 N ATOM 611 CA ASP A 39 53.866 39.389 16.231 1.00 0.00 C ATOM 612 C ASP A 39 54.693 39.633 17.495 1.00 0.00 C ATOM 613 O ASP A 39 54.950 38.699 18.253 1.00 0.00 O ATOM 614 CB ASP A 39 54.702 38.741 15.132 1.00 0.00 C ATOM 615 CG ASP A 39 55.880 39.599 14.665 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.663 40.674 14.064 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.038 39.173 14.858 1.00 0.00 O ATOM 0 H ASP A 39 53.627 40.923 14.851 1.00 0.00 H new ATOM 0 HA ASP A 39 53.073 38.701 16.523 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.081 37.785 15.493 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.059 38.527 14.278 1.00 0.00 H new ATOM 622 N GLN A 40 55.056 40.883 17.765 1.00 0.00 N ATOM 623 CA GLN A 40 55.806 41.314 18.927 1.00 0.00 C ATOM 624 C GLN A 40 54.907 41.776 20.076 1.00 0.00 C ATOM 625 O GLN A 40 55.434 42.104 21.137 1.00 0.00 O ATOM 626 CB GLN A 40 56.810 42.392 18.530 1.00 0.00 C ATOM 627 CG GLN A 40 57.746 41.987 17.395 1.00 0.00 C ATOM 628 CD GLN A 40 58.678 43.103 16.921 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.767 44.194 17.482 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.411 42.877 15.835 1.00 0.00 N ATOM 0 H GLN A 40 54.820 41.657 17.144 1.00 0.00 H new ATOM 0 HA GLN A 40 56.350 40.449 19.306 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.265 43.289 18.234 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.408 42.655 19.403 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.349 41.140 17.722 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.148 41.646 16.550 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.350 41.978 15.357 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.034 43.602 15.480 1.00 0.00 H new ATOM 639 N GLN A 41 53.587 41.794 19.918 1.00 0.00 N ATOM 640 CA GLN A 41 52.642 42.292 20.898 1.00 0.00 C ATOM 641 C GLN A 41 51.957 41.169 21.680 1.00 0.00 C ATOM 642 O GLN A 41 51.471 40.212 21.084 1.00 0.00 O ATOM 643 CB GLN A 41 51.560 43.137 20.232 1.00 0.00 C ATOM 644 CG GLN A 41 52.025 44.362 19.451 1.00 0.00 C ATOM 645 CD GLN A 41 50.831 45.109 18.851 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.744 45.153 19.423 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.939 45.711 17.671 1.00 0.00 N ATOM 0 H GLN A 41 53.135 41.448 19.071 1.00 0.00 H new ATOM 0 HA GLN A 41 53.225 42.897 21.593 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.998 42.495 19.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.866 43.470 21.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.583 45.028 20.109 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.705 44.056 18.656 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.827 45.694 17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.134 46.190 17.267 1.00 0.00 H new ATOM 656 N ARG A 42 51.819 41.324 22.994 1.00 0.00 N ATOM 657 CA ARG A 42 50.933 40.557 23.847 1.00 0.00 C ATOM 658 C ARG A 42 49.984 41.502 24.585 1.00 0.00 C ATOM 659 O ARG A 42 50.436 42.470 25.193 1.00 0.00 O ATOM 660 CB ARG A 42 51.735 39.695 24.819 1.00 0.00 C ATOM 661 CG ARG A 42 52.338 38.473 24.134 1.00 0.00 C ATOM 662 CD ARG A 42 53.245 37.676 25.066 1.00 0.00 C ATOM 663 NE ARG A 42 53.707 36.451 24.411 1.00 0.00 N ATOM 664 CZ ARG A 42 54.755 35.686 24.743 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.538 35.953 25.797 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.037 34.612 23.992 1.00 0.00 N ATOM 0 H ARG A 42 52.350 42.023 23.512 1.00 0.00 H new ATOM 0 HA ARG A 42 50.336 39.883 23.233 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.532 40.293 25.261 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.089 39.371 25.635 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.536 37.829 23.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.908 38.793 23.262 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.101 38.284 25.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.706 37.425 25.980 1.00 0.00 H new ATOM 0 HE ARG A 42 53.165 36.143 23.604 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.346 36.766 26.382 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.326 35.343 26.014 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.457 34.389 23.183 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.831 34.018 24.230 1.00 0.00 H new ATOM 680 N LEU A 43 48.681 41.243 24.509 1.00 0.00 N ATOM 681 CA LEU A 43 47.658 42.074 25.111 1.00 0.00 C ATOM 682 C LEU A 43 47.133 41.423 26.392 1.00 0.00 C ATOM 683 O LEU A 43 46.620 40.306 26.358 1.00 0.00 O ATOM 684 CB LEU A 43 46.545 42.401 24.119 1.00 0.00 C ATOM 685 CG LEU A 43 46.970 42.931 22.751 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.746 43.459 22.009 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.983 44.071 22.791 1.00 0.00 C ATOM 0 H LEU A 43 48.306 40.432 24.016 1.00 0.00 H new ATOM 0 HA LEU A 43 48.104 43.029 25.389 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.953 41.499 23.964 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.887 43.139 24.579 1.00 0.00 H new ATOM 0 HG LEU A 43 47.443 42.083 22.256 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.048 43.838 21.032 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.024 42.653 21.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.290 44.264 22.585 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.223 44.380 21.774 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.560 44.915 23.336 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.891 43.734 23.292 1.00 0.00 H new ATOM 699 N ILE A 44 47.289 42.115 27.516 1.00 0.00 N ATOM 700 CA ILE A 44 47.009 41.624 28.850 1.00 0.00 C ATOM 701 C ILE A 44 45.800 42.356 29.439 1.00 0.00 C ATOM 702 O ILE A 44 45.754 43.583 29.432 1.00 0.00 O ATOM 703 CB ILE A 44 48.238 41.749 29.746 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.546 41.250 29.138 1.00 0.00 C ATOM 705 CG2 ILE A 44 48.002 41.074 31.094 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.582 39.794 28.681 1.00 0.00 C ATOM 0 H ILE A 44 47.630 43.076 27.516 1.00 0.00 H new ATOM 0 HA ILE A 44 46.763 40.564 28.790 1.00 0.00 H new ATOM 0 HB ILE A 44 48.368 42.824 29.875 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.785 41.881 28.282 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.339 41.395 29.872 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.893 41.177 31.714 1.00 0.00 H new ATOM 0 HG22 ILE A 44 47.156 41.545 31.594 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.789 40.016 30.939 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.565 39.566 28.269 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.385 39.141 29.531 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.822 39.634 27.916 1.00 0.00 H new ATOM 718 N PHE A 45 44.849 41.623 30.009 1.00 0.00 N ATOM 719 CA PHE A 45 43.668 42.150 30.662 1.00 0.00 C ATOM 720 C PHE A 45 43.303 41.320 31.894 1.00 0.00 C ATOM 721 O PHE A 45 43.327 40.093 31.828 1.00 0.00 O ATOM 722 CB PHE A 45 42.516 42.161 29.660 1.00 0.00 C ATOM 723 CG PHE A 45 41.263 42.833 30.167 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.240 44.225 30.325 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.121 42.086 30.480 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.089 44.866 30.797 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.968 42.726 30.950 1.00 0.00 C ATOM 728 CZ PHE A 45 38.947 44.117 31.104 1.00 0.00 C ATOM 0 H PHE A 45 44.887 40.604 30.026 1.00 0.00 H new ATOM 0 HA PHE A 45 43.869 43.166 31.003 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.844 42.666 28.752 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.278 41.133 29.385 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.116 44.807 30.081 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.130 41.013 30.359 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.082 45.938 30.924 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.092 42.144 31.195 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.054 44.610 31.458 1.00 0.00 H new ATOM 738 N ALA A 46 42.957 41.958 33.009 1.00 0.00 N ATOM 739 CA ALA A 46 42.465 41.339 34.222 1.00 0.00 C ATOM 740 C ALA A 46 43.261 40.126 34.709 1.00 0.00 C ATOM 741 O ALA A 46 42.692 39.141 35.173 1.00 0.00 O ATOM 742 CB ALA A 46 40.965 41.098 34.074 1.00 0.00 C ATOM 0 H ALA A 46 43.018 42.973 33.088 1.00 0.00 H new ATOM 0 HA ALA A 46 42.629 42.036 35.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.580 40.632 34.981 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.458 42.049 33.912 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.784 40.441 33.223 1.00 0.00 H new ATOM 748 N GLY A 47 44.587 40.175 34.608 1.00 0.00 N ATOM 749 CA GLY A 47 45.500 39.135 35.037 1.00 0.00 C ATOM 750 C GLY A 47 45.731 37.991 34.048 1.00 0.00 C ATOM 751 O GLY A 47 46.288 36.975 34.459 1.00 0.00 O ATOM 0 H GLY A 47 45.069 40.979 34.206 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.463 39.595 35.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.125 38.712 35.969 1.00 0.00 H new ATOM 755 N LYS A 48 45.320 38.114 32.789 1.00 0.00 N ATOM 756 CA LYS A 48 45.481 37.107 31.760 1.00 0.00 C ATOM 757 C LYS A 48 45.871 37.690 30.402 1.00 0.00 C ATOM 758 O LYS A 48 45.470 38.798 30.051 1.00 0.00 O ATOM 759 CB LYS A 48 44.225 36.245 31.660 1.00 0.00 C ATOM 760 CG LYS A 48 42.944 37.047 31.450 1.00 0.00 C ATOM 761 CD LYS A 48 41.703 36.173 31.296 1.00 0.00 C ATOM 762 CE LYS A 48 40.472 37.072 31.242 1.00 0.00 C ATOM 763 NZ LYS A 48 39.225 36.291 31.253 1.00 0.00 N ATOM 0 H LYS A 48 44.848 38.953 32.451 1.00 0.00 H new ATOM 0 HA LYS A 48 46.318 36.476 32.060 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.342 35.542 30.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.128 35.654 32.571 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.803 37.721 32.295 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.054 37.669 30.562 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.773 35.574 30.388 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.626 35.477 32.131 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.482 37.753 32.093 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.509 37.685 30.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.411 36.937 31.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.204 35.659 30.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.178 35.725 32.124 1.00 0.00 H new ATOM 777 N GLN A 49 46.607 36.924 29.602 1.00 0.00 N ATOM 778 CA GLN A 49 46.830 37.192 28.195 1.00 0.00 C ATOM 779 C GLN A 49 45.583 36.847 27.379 1.00 0.00 C ATOM 780 O GLN A 49 44.996 35.786 27.576 1.00 0.00 O ATOM 781 CB GLN A 49 48.058 36.415 27.730 1.00 0.00 C ATOM 782 CG GLN A 49 48.439 36.666 26.273 1.00 0.00 C ATOM 783 CD GLN A 49 49.690 35.881 25.875 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.731 35.936 26.525 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.650 35.091 24.806 1.00 0.00 N ATOM 0 H GLN A 49 47.075 36.078 29.929 1.00 0.00 H new ATOM 0 HA GLN A 49 47.020 38.254 28.042 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.903 36.678 28.366 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.874 35.349 27.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.609 36.382 25.625 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.613 37.731 26.120 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.797 35.028 24.250 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.472 34.548 24.542 1.00 0.00 H new ATOM 794 N LEU A 50 45.196 37.713 26.447 1.00 0.00 N ATOM 795 CA LEU A 50 44.099 37.491 25.526 1.00 0.00 C ATOM 796 C LEU A 50 44.600 36.922 24.197 1.00 0.00 C ATOM 797 O LEU A 50 45.629 37.350 23.678 1.00 0.00 O ATOM 798 CB LEU A 50 43.297 38.773 25.324 1.00 0.00 C ATOM 799 CG LEU A 50 42.779 39.448 26.590 1.00 0.00 C ATOM 800 CD1 LEU A 50 41.941 40.659 26.192 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.922 38.530 27.457 1.00 0.00 C ATOM 0 H LEU A 50 45.655 38.614 26.312 1.00 0.00 H new ATOM 0 HA LEU A 50 43.432 36.748 25.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.921 39.487 24.786 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.445 38.547 24.683 1.00 0.00 H new ATOM 0 HG LEU A 50 43.650 39.731 27.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.564 41.151 27.089 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.557 41.358 25.626 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.102 40.334 25.576 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.587 39.073 28.341 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.056 38.195 26.886 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.511 37.666 27.764 1.00 0.00 H new ATOM 813 N GLU A 51 43.859 35.965 23.643 1.00 0.00 N ATOM 814 CA GLU A 51 44.214 35.195 22.468 1.00 0.00 C ATOM 815 C GLU A 51 43.522 35.707 21.202 1.00 0.00 C ATOM 816 O GLU A 51 42.344 36.056 21.225 1.00 0.00 O ATOM 817 CB GLU A 51 43.921 33.730 22.774 1.00 0.00 C ATOM 818 CG GLU A 51 44.278 32.738 21.671 1.00 0.00 C ATOM 819 CD GLU A 51 44.201 31.305 22.202 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.085 30.817 22.487 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.263 30.679 22.402 1.00 0.00 O ATOM 0 H GLU A 51 42.952 35.698 24.025 1.00 0.00 H new ATOM 0 HA GLU A 51 45.275 35.308 22.248 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.464 33.451 23.677 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.859 33.630 22.997 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.596 32.858 20.829 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.282 32.942 21.300 1.00 0.00 H new ATOM 828 N ASP A 52 44.243 35.714 20.085 1.00 0.00 N ATOM 829 CA ASP A 52 43.891 36.345 18.829 1.00 0.00 C ATOM 830 C ASP A 52 42.577 35.900 18.183 1.00 0.00 C ATOM 831 O ASP A 52 41.940 36.689 17.490 1.00 0.00 O ATOM 832 CB ASP A 52 45.013 36.078 17.830 1.00 0.00 C ATOM 833 CG ASP A 52 46.327 36.739 18.251 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.660 37.814 17.706 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.017 36.202 19.146 1.00 0.00 O ATOM 0 H ASP A 52 45.148 35.246 20.036 1.00 0.00 H new ATOM 0 HA ASP A 52 43.751 37.398 19.074 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.163 35.003 17.733 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.719 36.449 16.848 1.00 0.00 H new ATOM 840 N GLY A 53 42.162 34.655 18.404 1.00 0.00 N ATOM 841 CA GLY A 53 41.040 34.041 17.724 1.00 0.00 C ATOM 842 C GLY A 53 39.651 34.525 18.145 1.00 0.00 C ATOM 843 O GLY A 53 38.661 34.010 17.631 1.00 0.00 O ATOM 0 H GLY A 53 42.612 34.036 19.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.153 34.211 16.653 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.091 32.964 17.882 1.00 0.00 H new ATOM 847 N ARG A 54 39.546 35.462 19.084 1.00 0.00 N ATOM 848 CA ARG A 54 38.308 35.912 19.687 1.00 0.00 C ATOM 849 C ARG A 54 38.217 37.436 19.784 1.00 0.00 C ATOM 850 O ARG A 54 39.200 38.153 19.602 1.00 0.00 O ATOM 851 CB ARG A 54 38.117 35.208 21.027 1.00 0.00 C ATOM 852 CG ARG A 54 37.645 33.769 20.841 1.00 0.00 C ATOM 853 CD ARG A 54 37.467 32.993 22.143 1.00 0.00 C ATOM 854 NE ARG A 54 38.691 32.795 22.919 1.00 0.00 N ATOM 855 CZ ARG A 54 39.795 32.110 22.589 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.017 31.573 21.382 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.763 31.934 23.499 1.00 0.00 N ATOM 0 H ARG A 54 40.362 35.946 19.458 1.00 0.00 H new ATOM 0 HA ARG A 54 37.479 35.634 19.036 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.056 35.215 21.580 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.390 35.756 21.627 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.697 33.777 20.304 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.363 33.242 20.213 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.742 33.518 22.765 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.040 32.017 21.911 1.00 0.00 H new ATOM 0 HE ARG A 54 38.707 33.239 23.837 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.321 31.674 20.643 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.882 31.064 21.202 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.657 32.320 24.437 1.00 0.00 H new ATOM 0 HH22 ARG A 54 41.605 31.414 23.254 1.00 0.00 H new ATOM 871 N THR A 55 37.007 37.923 20.043 1.00 0.00 N ATOM 872 CA THR A 55 36.634 39.322 20.033 1.00 0.00 C ATOM 873 C THR A 55 36.506 39.946 21.424 1.00 0.00 C ATOM 874 O THR A 55 36.334 39.245 22.420 1.00 0.00 O ATOM 875 CB THR A 55 35.339 39.576 19.267 1.00 0.00 C ATOM 876 OG1 THR A 55 34.262 38.917 19.895 1.00 0.00 O ATOM 877 CG2 THR A 55 35.377 39.109 17.815 1.00 0.00 C ATOM 0 H THR A 55 36.223 37.314 20.277 1.00 0.00 H new ATOM 0 HA THR A 55 37.467 39.806 19.522 1.00 0.00 H new ATOM 0 HB THR A 55 35.212 40.659 19.272 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.437 39.089 19.395 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.421 39.324 17.338 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.173 39.633 17.285 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.565 38.036 17.783 1.00 0.00 H new ATOM 885 N LEU A 56 36.532 41.274 21.486 1.00 0.00 N ATOM 886 CA LEU A 56 36.304 42.033 22.700 1.00 0.00 C ATOM 887 C LEU A 56 34.997 41.632 23.387 1.00 0.00 C ATOM 888 O LEU A 56 34.992 41.427 24.600 1.00 0.00 O ATOM 889 CB LEU A 56 36.322 43.522 22.369 1.00 0.00 C ATOM 890 CG LEU A 56 37.661 44.042 21.853 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.507 45.475 21.350 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.751 44.021 22.921 1.00 0.00 C ATOM 0 H LEU A 56 36.717 41.861 20.672 1.00 0.00 H new ATOM 0 HA LEU A 56 37.104 41.811 23.407 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.556 43.724 21.620 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.049 44.083 23.263 1.00 0.00 H new ATOM 0 HG LEU A 56 37.962 43.375 21.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.468 45.837 20.984 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.777 45.500 20.541 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.166 46.112 22.166 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.681 44.401 22.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.450 44.648 23.760 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.901 42.999 23.268 1.00 0.00 H new ATOM 904 N SER A 57 33.916 41.425 22.640 1.00 0.00 N ATOM 905 CA SER A 57 32.660 40.925 23.160 1.00 0.00 C ATOM 906 C SER A 57 32.675 39.446 23.555 1.00 0.00 C ATOM 907 O SER A 57 31.999 39.096 24.519 1.00 0.00 O ATOM 908 CB SER A 57 31.537 41.183 22.161 1.00 0.00 C ATOM 909 OG SER A 57 31.865 40.645 20.900 1.00 0.00 O ATOM 0 H SER A 57 33.895 41.606 21.636 1.00 0.00 H new ATOM 0 HA SER A 57 32.488 41.477 24.084 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.611 40.737 22.523 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.361 42.255 22.071 1.00 0.00 H new ATOM 0 HG SER A 57 32.636 40.047 20.990 1.00 0.00 H new ATOM 915 N ASP A 58 33.460 38.588 22.911 1.00 0.00 N ATOM 916 CA ASP A 58 33.680 37.235 23.379 1.00 0.00 C ATOM 917 C ASP A 58 34.342 37.244 24.757 1.00 0.00 C ATOM 918 O ASP A 58 33.945 36.480 25.635 1.00 0.00 O ATOM 919 CB ASP A 58 34.538 36.412 22.422 1.00 0.00 C ATOM 920 CG ASP A 58 33.969 36.214 21.016 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.739 36.093 20.829 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.755 36.229 20.044 1.00 0.00 O ATOM 0 H ASP A 58 33.959 38.816 22.051 1.00 0.00 H new ATOM 0 HA ASP A 58 32.697 36.768 23.436 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.513 36.892 22.334 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.705 35.431 22.867 1.00 0.00 H new ATOM 927 N TYR A 59 35.293 38.145 24.990 1.00 0.00 N ATOM 928 CA TYR A 59 35.936 38.386 26.266 1.00 0.00 C ATOM 929 C TYR A 59 35.135 39.265 27.229 1.00 0.00 C ATOM 930 O TYR A 59 35.631 39.599 28.304 1.00 0.00 O ATOM 931 CB TYR A 59 37.342 38.930 26.039 1.00 0.00 C ATOM 932 CG TYR A 59 38.297 37.977 25.358 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.802 38.272 24.086 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.700 36.806 26.010 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.687 37.392 23.449 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.600 35.927 25.396 1.00 0.00 C ATOM 937 CZ TYR A 59 40.090 36.212 24.106 1.00 0.00 C ATOM 938 OH TYR A 59 40.953 35.343 23.507 1.00 0.00 O ATOM 0 H TYR A 59 35.649 38.754 24.253 1.00 0.00 H new ATOM 0 HA TYR A 59 35.993 37.421 26.771 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.271 39.838 25.440 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.764 39.216 27.003 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.507 39.186 23.591 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.314 36.579 26.993 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.058 37.617 22.460 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.918 35.032 25.910 1.00 0.00 H new ATOM 0 HH TYR A 59 41.358 35.772 22.725 1.00 0.00 H new ATOM 948 N ASN A 60 33.896 39.629 26.910 1.00 0.00 N ATOM 949 CA ASN A 60 33.027 40.451 27.727 1.00 0.00 C ATOM 950 C ASN A 60 33.571 41.844 28.051 1.00 0.00 C ATOM 951 O ASN A 60 33.210 42.426 29.071 1.00 0.00 O ATOM 952 CB ASN A 60 32.566 39.668 28.952 1.00 0.00 C ATOM 953 CG ASN A 60 31.924 38.319 28.618 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.943 38.232 27.884 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.461 37.221 29.141 1.00 0.00 N ATOM 0 H ASN A 60 33.457 39.343 26.035 1.00 0.00 H new ATOM 0 HA ASN A 60 32.150 40.680 27.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.421 39.501 29.607 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.850 40.272 29.510 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.058 36.307 28.933 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.276 37.292 29.751 1.00 0.00 H new ATOM 962 N ILE A 61 34.440 42.396 27.209 1.00 0.00 N ATOM 963 CA ILE A 61 35.084 43.681 27.395 1.00 0.00 C ATOM 964 C ILE A 61 34.193 44.789 26.828 1.00 0.00 C ATOM 965 O ILE A 61 33.966 44.868 25.624 1.00 0.00 O ATOM 966 CB ILE A 61 36.485 43.697 26.792 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.346 42.578 27.371 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.147 45.052 27.027 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.766 42.490 26.819 1.00 0.00 C ATOM 0 H ILE A 61 34.723 41.936 26.344 1.00 0.00 H new ATOM 0 HA ILE A 61 35.213 43.863 28.462 1.00 0.00 H new ATOM 0 HB ILE A 61 36.393 43.531 25.719 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.402 42.709 28.452 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.845 41.627 27.190 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.146 45.049 26.591 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.550 45.835 26.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.219 45.241 28.098 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.291 41.663 27.296 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.728 42.323 25.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.294 43.421 27.023 1.00 0.00 H new ATOM 981 N GLN A 62 33.700 45.653 27.711 1.00 0.00 N ATOM 982 CA GLN A 62 32.906 46.819 27.381 1.00 0.00 C ATOM 983 C GLN A 62 33.766 48.057 27.125 1.00 0.00 C ATOM 984 O GLN A 62 34.937 48.114 27.492 1.00 0.00 O ATOM 985 CB GLN A 62 31.886 47.095 28.483 1.00 0.00 C ATOM 986 CG GLN A 62 30.950 45.918 28.743 1.00 0.00 C ATOM 987 CD GLN A 62 29.826 46.236 29.732 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.348 47.361 29.859 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.317 45.236 30.447 1.00 0.00 N ATOM 0 H GLN A 62 33.852 45.550 28.714 1.00 0.00 H new ATOM 0 HA GLN A 62 32.380 46.598 26.452 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.414 47.342 29.404 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.294 47.969 28.211 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.511 45.598 27.798 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.532 45.079 29.125 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.701 44.296 30.354 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.543 45.410 31.088 1.00 0.00 H new ATOM 998 N LYS A 63 33.166 49.079 26.521 1.00 0.00 N ATOM 999 CA LYS A 63 33.765 50.372 26.262 1.00 0.00 C ATOM 1000 C LYS A 63 34.463 51.009 27.465 1.00 0.00 C ATOM 1001 O LYS A 63 34.066 50.821 28.613 1.00 0.00 O ATOM 1002 CB LYS A 63 32.721 51.306 25.654 1.00 0.00 C ATOM 1003 CG LYS A 63 31.574 51.682 26.588 1.00 0.00 C ATOM 1004 CD LYS A 63 31.757 52.997 27.340 1.00 0.00 C ATOM 1005 CE LYS A 63 31.640 54.194 26.400 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.426 55.443 27.147 1.00 0.00 N ATOM 0 H LYS A 63 32.205 49.019 26.186 1.00 0.00 H new ATOM 0 HA LYS A 63 34.571 50.202 25.549 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.218 52.219 25.327 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.306 50.833 24.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.655 51.740 26.005 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.440 50.881 27.315 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.007 53.076 28.127 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.732 53.008 27.826 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.546 54.278 25.800 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.813 54.036 25.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.199 56.210 26.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.638 55.318 27.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.290 55.685 27.673 1.00 0.00 H new ATOM 1020 N GLU A 64 35.504 51.784 27.180 1.00 0.00 N ATOM 1021 CA GLU A 64 36.357 52.473 28.128 1.00 0.00 C ATOM 1022 C GLU A 64 36.993 51.578 29.193 1.00 0.00 C ATOM 1023 O GLU A 64 37.440 52.057 30.233 1.00 0.00 O ATOM 1024 CB GLU A 64 35.691 53.730 28.681 1.00 0.00 C ATOM 1025 CG GLU A 64 35.401 54.754 27.587 1.00 0.00 C ATOM 1026 CD GLU A 64 34.891 56.068 28.183 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.668 57.040 28.297 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.698 56.148 28.548 1.00 0.00 O ATOM 0 H GLU A 64 35.789 51.956 26.216 1.00 0.00 H new ATOM 0 HA GLU A 64 37.221 52.809 27.554 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.760 53.458 29.178 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.336 54.179 29.436 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.307 54.940 27.010 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.660 54.353 26.896 1.00 0.00 H new ATOM 1035 N SER A 65 37.109 50.282 28.917 1.00 0.00 N ATOM 1036 CA SER A 65 38.085 49.408 29.535 1.00 0.00 C ATOM 1037 C SER A 65 39.505 49.780 29.101 1.00 0.00 C ATOM 1038 O SER A 65 39.698 50.329 28.017 1.00 0.00 O ATOM 1039 CB SER A 65 37.827 47.951 29.161 1.00 0.00 C ATOM 1040 OG SER A 65 36.533 47.544 29.548 1.00 0.00 O ATOM 0 H SER A 65 36.511 49.806 28.242 1.00 0.00 H new ATOM 0 HA SER A 65 37.989 49.530 30.614 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.944 47.823 28.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.570 47.313 29.640 1.00 0.00 H new ATOM 0 HG SER A 65 35.925 47.614 28.782 1.00 0.00 H new ATOM 1046 N THR A 66 40.502 49.441 29.912 1.00 0.00 N ATOM 1047 CA THR A 66 41.907 49.576 29.588 1.00 0.00 C ATOM 1048 C THR A 66 42.541 48.190 29.453 1.00 0.00 C ATOM 1049 O THR A 66 42.374 47.352 30.338 1.00 0.00 O ATOM 1050 CB THR A 66 42.650 50.404 30.632 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.132 51.715 30.652 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.137 50.564 30.323 1.00 0.00 C ATOM 0 H THR A 66 40.343 49.053 30.842 1.00 0.00 H new ATOM 0 HA THR A 66 41.987 50.105 28.638 1.00 0.00 H new ATOM 0 HB THR A 66 42.521 49.872 31.575 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.609 52.245 31.324 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.608 51.163 31.103 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.608 49.582 30.285 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.257 51.062 29.361 1.00 0.00 H new ATOM 1060 N LEU A 67 43.306 47.956 28.392 1.00 0.00 N ATOM 1061 CA LEU A 67 44.116 46.771 28.200 1.00 0.00 C ATOM 1062 C LEU A 67 45.594 47.161 28.272 1.00 0.00 C ATOM 1063 O LEU A 67 45.980 48.195 27.731 1.00 0.00 O ATOM 1064 CB LEU A 67 43.785 46.089 26.875 1.00 0.00 C ATOM 1065 CG LEU A 67 42.435 45.387 26.752 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.236 46.330 26.708 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.417 44.579 25.459 1.00 0.00 C ATOM 0 H LEU A 67 43.378 48.615 27.616 1.00 0.00 H new ATOM 0 HA LEU A 67 43.898 46.052 28.990 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.844 46.841 26.088 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.564 45.354 26.673 1.00 0.00 H new ATOM 0 HG LEU A 67 42.337 44.772 27.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.319 45.748 26.620 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.204 46.921 27.623 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.328 46.995 25.849 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.457 44.072 25.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.564 45.247 24.610 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.217 43.839 25.481 1.00 0.00 H new ATOM 1079 N HIS A 68 46.446 46.343 28.884 1.00 0.00 N ATOM 1080 CA HIS A 68 47.871 46.593 28.940 1.00 0.00 C ATOM 1081 C HIS A 68 48.596 45.945 27.758 1.00 0.00 C ATOM 1082 O HIS A 68 48.183 44.894 27.272 1.00 0.00 O ATOM 1083 CB HIS A 68 48.455 46.197 30.293 1.00 0.00 C ATOM 1084 CG HIS A 68 49.807 46.812 30.529 1.00 0.00 C ATOM 1085 ND1 HIS A 68 51.019 46.338 30.031 1.00 0.00 N ATOM 1086 CD2 HIS A 68 50.054 47.955 31.244 1.00 0.00 C ATOM 1087 CE1 HIS A 68 51.954 47.210 30.416 1.00 0.00 C ATOM 1088 NE2 HIS A 68 51.414 48.182 31.169 1.00 0.00 N ATOM 0 H HIS A 68 46.159 45.485 29.356 1.00 0.00 H new ATOM 0 HA HIS A 68 48.031 47.667 28.845 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.774 46.506 31.086 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.537 45.111 30.348 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.327 48.560 31.765 1.00 0.00 H new ATOM 0 HE1 HIS A 68 53.000 47.143 30.157 1.00 0.00 H new ATOM 0 HE2 HIS A 68 51.919 48.952 31.608 1.00 0.00 H new ATOM 1096 N LEU A 69 49.637 46.597 27.248 1.00 0.00 N ATOM 1097 CA LEU A 69 50.434 46.170 26.116 1.00 0.00 C ATOM 1098 C LEU A 69 51.834 45.770 26.587 1.00 0.00 C ATOM 1099 O LEU A 69 52.630 46.619 26.982 1.00 0.00 O ATOM 1100 CB LEU A 69 50.439 47.299 25.090 1.00 0.00 C ATOM 1101 CG LEU A 69 51.408 47.124 23.924 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.103 45.906 23.057 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.363 48.367 23.038 1.00 0.00 C ATOM 0 H LEU A 69 49.959 47.483 27.638 1.00 0.00 H new ATOM 0 HA LEU A 69 50.013 45.285 25.639 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.431 47.406 24.689 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.679 48.231 25.602 1.00 0.00 H new ATOM 0 HG LEU A 69 52.395 46.975 24.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.831 45.844 22.248 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.158 45.003 23.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.101 46.000 22.637 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.054 48.245 22.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.352 48.504 22.654 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.650 49.241 23.622 1.00 0.00 H new ATOM 1115 N VAL A 70 52.157 44.486 26.470 1.00 0.00 N ATOM 1116 CA VAL A 70 53.475 43.938 26.721 1.00 0.00 C ATOM 1117 C VAL A 70 54.146 43.629 25.381 1.00 0.00 C ATOM 1118 O VAL A 70 53.580 42.933 24.541 1.00 0.00 O ATOM 1119 CB VAL A 70 53.386 42.708 27.621 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.746 42.053 27.842 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.826 43.071 28.994 1.00 0.00 C ATOM 0 H VAL A 70 51.480 43.777 26.187 1.00 0.00 H new ATOM 0 HA VAL A 70 54.087 44.666 27.253 1.00 0.00 H new ATOM 0 HB VAL A 70 52.725 42.012 27.105 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.630 41.183 28.488 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.159 41.740 26.883 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.422 42.767 28.313 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.774 42.176 29.614 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.477 43.805 29.470 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.827 43.492 28.880 1.00 0.00 H new ATOM 1131 N LEU A 71 55.363 44.126 25.180 1.00 0.00 N ATOM 1132 CA LEU A 71 56.172 43.791 24.025 1.00 0.00 C ATOM 1133 C LEU A 71 57.063 42.584 24.331 1.00 0.00 C ATOM 1134 O LEU A 71 57.662 42.493 25.399 1.00 0.00 O ATOM 1135 CB LEU A 71 56.993 44.990 23.561 1.00 0.00 C ATOM 1136 CG LEU A 71 56.268 45.951 22.623 1.00 0.00 C ATOM 1137 CD1 LEU A 71 54.904 46.433 23.109 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.158 47.171 22.406 1.00 0.00 C ATOM 0 H LEU A 71 55.814 44.777 25.823 1.00 0.00 H new ATOM 0 HA LEU A 71 55.507 43.520 23.205 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.324 45.545 24.439 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.889 44.624 23.059 1.00 0.00 H new ATOM 0 HG LEU A 71 56.078 45.389 21.709 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.473 47.110 22.371 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.243 45.577 23.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.020 46.957 24.058 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.658 47.872 21.737 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.350 47.656 23.363 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.103 46.858 21.962 1.00 0.00 H new ATOM 1150 N ARG A 72 57.173 41.681 23.360 1.00 0.00 N ATOM 1151 CA ARG A 72 57.931 40.446 23.409 1.00 0.00 C ATOM 1152 C ARG A 72 59.429 40.691 23.222 1.00 0.00 C ATOM 1153 O ARG A 72 60.017 40.280 22.224 1.00 0.00 O ATOM 1154 CB ARG A 72 57.371 39.490 22.359 1.00 0.00 C ATOM 1155 CG ARG A 72 55.959 38.995 22.661 1.00 0.00 C ATOM 1156 CD ARG A 72 55.449 38.098 21.537 1.00 0.00 C ATOM 1157 NE ARG A 72 56.223 36.862 21.423 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.108 35.925 20.472 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.356 36.095 19.375 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.791 34.781 20.613 1.00 0.00 N ATOM 0 H ARG A 72 56.703 41.806 22.463 1.00 0.00 H new ATOM 0 HA ARG A 72 57.826 39.995 24.396 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.370 39.990 21.391 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.036 38.631 22.273 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.955 38.445 23.602 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.289 39.846 22.786 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.402 37.854 21.716 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.493 38.641 20.593 1.00 0.00 H new ATOM 0 HE ARG A 72 56.925 36.696 22.144 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.842 36.966 19.239 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.298 35.354 18.677 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.383 34.638 21.431 1.00 0.00 H new ATOM 0 HH22 ARG A 72 56.719 34.053 19.902 1.00 0.00 H new ATOM 1174 N LEU A 73 60.062 41.400 24.153 1.00 0.00 N ATOM 1175 CA LEU A 73 61.495 41.609 24.146 1.00 0.00 C ATOM 1176 C LEU A 73 62.200 40.279 24.420 1.00 0.00 C ATOM 1177 O LEU A 73 61.779 39.534 25.303 1.00 0.00 O ATOM 1178 CB LEU A 73 61.883 42.690 25.152 1.00 0.00 C ATOM 1179 CG LEU A 73 61.785 44.122 24.636 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.386 44.518 24.170 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.183 45.089 25.747 1.00 0.00 C ATOM 0 H LEU A 73 59.585 41.846 24.937 1.00 0.00 H new ATOM 0 HA LEU A 73 61.814 41.964 23.166 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.245 42.593 26.030 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.906 42.508 25.480 1.00 0.00 H new ATOM 0 HG LEU A 73 62.453 44.174 23.776 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.398 45.549 23.818 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.073 43.861 23.358 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.686 44.427 25.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.114 46.113 25.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.513 44.962 26.597 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.207 44.884 26.058 1.00 0.00 H new ATOM 1193 N ARG A 74 63.251 39.985 23.661 1.00 0.00 N ATOM 1194 CA ARG A 74 63.985 38.735 23.645 1.00 0.00 C ATOM 1195 C ARG A 74 63.096 37.540 23.297 1.00 0.00 C ATOM 1196 O ARG A 74 63.046 36.554 24.030 1.00 0.00 O ATOM 1197 CB ARG A 74 64.818 38.571 24.912 1.00 0.00 C ATOM 1198 CG ARG A 74 65.701 39.782 25.202 1.00 0.00 C ATOM 1199 CD ARG A 74 66.631 39.588 26.397 1.00 0.00 C ATOM 1200 NE ARG A 74 65.936 39.624 27.684 1.00 0.00 N ATOM 1201 CZ ARG A 74 66.498 39.862 28.877 1.00 0.00 C ATOM 1202 NH1 ARG A 74 67.820 40.024 29.025 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.736 39.987 29.972 1.00 0.00 N ATOM 0 H ARG A 74 63.633 40.661 23.000 1.00 0.00 H new ATOM 0 HA ARG A 74 64.705 38.770 22.828 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.153 38.401 25.759 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.445 37.685 24.816 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.300 40.005 24.319 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.066 40.649 25.383 1.00 0.00 H new ATOM 0 HD2 ARG A 74 67.145 38.632 26.297 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.396 40.365 26.383 1.00 0.00 H new ATOM 0 HE ARG A 74 64.931 39.452 27.672 1.00 0.00 H new ATOM 0 HH11 ARG A 74 68.435 39.968 28.213 1.00 0.00 H new ATOM 0 HH12 ARG A 74 68.211 40.204 29.950 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.722 39.901 29.900 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.170 40.168 30.877 1.00 0.00 H new ATOM 1217 N GLY A 75 62.356 37.649 22.197 1.00 0.00 N ATOM 1218 CA GLY A 75 61.477 36.618 21.685 1.00 0.00 C ATOM 1219 C GLY A 75 60.767 36.988 20.381 1.00 0.00 C ATOM 1220 O GLY A 75 60.825 36.234 19.412 1.00 0.00 O ATOM 0 H GLY A 75 62.357 38.491 21.621 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.057 35.709 21.524 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.727 36.388 22.441 1.00 0.00 H new ATOM 1224 N GLY A 76 60.119 38.148 20.338 1.00 0.00 N ATOM 1225 CA GLY A 76 59.407 38.678 19.193 1.00 0.00 C ATOM 1226 C GLY A 76 60.328 39.247 18.111 1.00 0.00 C ATOM 1227 O GLY A 76 61.029 40.240 18.404 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.288 38.724 16.977 1.00 0.00 O ATOM 0 H GLY A 76 60.078 38.771 21.145 1.00 0.00 H new ATOM 0 HA2 GLY A 76 58.794 37.888 18.759 1.00 0.00 H new ATOM 0 HA3 GLY A 76 58.727 39.461 19.529 1.00 0.00 H new TER 1232 GLY A 76