USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -54:sc= 0.941 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 1.19 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0138! X(o=2.5!,f=2.2) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 173:sc= 2.52 (180deg=2.49) USER MOD Set 3.1: A 7 THR OG1 : rot -79:sc= 1.49 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.386) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.03 (180deg=1.93) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0.771) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.193 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.45 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.18) USER MOD Single : A 40 GLN : amide:sc= -0.0207 K(o=-0.021,f=-1.9!) USER MOD Single : A 41 GLN : amide:sc= 0.781 K(o=0.78,f=-0.63) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.921 K(o=0.92,f=-6.3!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.522 USER MOD Single : A 60 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.63) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 84:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.021 51.660 19.599 1.00 0.00 N ATOM 2 CA MET A 1 33.379 52.041 20.975 1.00 0.00 C ATOM 3 C MET A 1 34.883 52.297 21.071 1.00 0.00 C ATOM 4 O MET A 1 35.659 51.677 20.348 1.00 0.00 O ATOM 5 CB MET A 1 32.924 51.012 22.006 1.00 0.00 C ATOM 6 CG MET A 1 33.641 49.670 21.890 1.00 0.00 C ATOM 7 SD MET A 1 32.996 48.367 22.968 1.00 0.00 S ATOM 8 CE MET A 1 34.215 47.070 22.636 1.00 0.00 C ATOM 0 H1 MET A 1 31.989 51.554 19.526 1.00 0.00 H new ATOM 0 H2 MET A 1 33.341 52.398 18.940 1.00 0.00 H new ATOM 0 H3 MET A 1 33.480 50.758 19.358 1.00 0.00 H new ATOM 0 HA MET A 1 32.847 52.962 21.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.086 51.416 23.005 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.851 50.852 21.897 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.580 49.330 20.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.697 49.818 22.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.823 46.109 22.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.420 47.029 21.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.137 47.291 23.174 1.00 0.00 H new ATOM 20 N GLN A 2 35.315 53.155 21.990 1.00 0.00 N ATOM 21 CA GLN A 2 36.716 53.356 22.304 1.00 0.00 C ATOM 22 C GLN A 2 37.164 52.437 23.442 1.00 0.00 C ATOM 23 O GLN A 2 36.419 52.230 24.397 1.00 0.00 O ATOM 24 CB GLN A 2 36.989 54.821 22.632 1.00 0.00 C ATOM 25 CG GLN A 2 36.843 55.743 21.425 1.00 0.00 C ATOM 26 CD GLN A 2 37.138 57.210 21.745 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.386 57.608 22.882 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.127 58.078 20.738 1.00 0.00 N ATOM 0 H GLN A 2 34.687 53.737 22.544 1.00 0.00 H new ATOM 0 HA GLN A 2 37.303 53.094 21.423 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.303 55.146 23.414 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.998 54.915 23.033 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.517 55.408 20.637 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.829 55.660 21.034 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.923 57.758 19.791 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.323 59.064 20.912 1.00 0.00 H new ATOM 37 N ILE A 3 38.399 51.948 23.379 1.00 0.00 N ATOM 38 CA ILE A 3 39.101 51.326 24.483 1.00 0.00 C ATOM 39 C ILE A 3 40.495 51.933 24.652 1.00 0.00 C ATOM 40 O ILE A 3 41.054 52.488 23.709 1.00 0.00 O ATOM 41 CB ILE A 3 39.166 49.805 24.364 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.950 49.344 23.139 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.765 49.203 24.419 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.219 47.843 23.091 1.00 0.00 C ATOM 0 H ILE A 3 38.954 51.978 22.523 1.00 0.00 H new ATOM 0 HA ILE A 3 38.522 51.536 25.383 1.00 0.00 H new ATOM 0 HB ILE A 3 39.723 49.432 25.223 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.401 49.631 22.242 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.903 49.873 23.112 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.831 48.118 24.333 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.294 49.463 25.367 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.167 49.596 23.597 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.781 47.603 22.188 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.797 47.549 23.967 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.272 47.304 23.083 1.00 0.00 H new ATOM 56 N PHE A 4 41.062 51.797 25.848 1.00 0.00 N ATOM 57 CA PHE A 4 42.389 52.274 26.182 1.00 0.00 C ATOM 58 C PHE A 4 43.376 51.118 26.356 1.00 0.00 C ATOM 59 O PHE A 4 43.043 50.101 26.962 1.00 0.00 O ATOM 60 CB PHE A 4 42.319 53.128 27.444 1.00 0.00 C ATOM 61 CG PHE A 4 41.372 54.300 27.354 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.701 55.414 26.572 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.151 54.268 28.040 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.813 56.491 26.473 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.263 55.346 27.946 1.00 0.00 C ATOM 66 CZ PHE A 4 39.594 56.457 27.161 1.00 0.00 C ATOM 0 H PHE A 4 40.593 51.338 26.629 1.00 0.00 H new ATOM 0 HA PHE A 4 42.757 52.884 25.357 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.017 52.496 28.279 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.318 53.501 27.671 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.643 55.442 26.044 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.894 53.410 28.643 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.068 57.348 25.867 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.324 55.321 28.478 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.909 57.288 27.086 1.00 0.00 H new ATOM 76 N VAL A 5 44.602 51.263 25.860 1.00 0.00 N ATOM 77 CA VAL A 5 45.668 50.290 25.989 1.00 0.00 C ATOM 78 C VAL A 5 46.882 50.943 26.654 1.00 0.00 C ATOM 79 O VAL A 5 47.519 51.822 26.079 1.00 0.00 O ATOM 80 CB VAL A 5 46.007 49.682 24.630 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.175 48.707 24.735 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.818 48.923 24.048 1.00 0.00 C ATOM 0 H VAL A 5 44.884 52.094 25.339 1.00 0.00 H new ATOM 0 HA VAL A 5 45.340 49.470 26.627 1.00 0.00 H new ATOM 0 HB VAL A 5 46.272 50.515 23.979 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.392 48.291 23.751 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.054 49.231 25.109 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.915 47.900 25.420 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.093 48.503 23.081 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.533 48.118 24.726 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.977 49.605 23.922 1.00 0.00 H new ATOM 92 N LYS A 6 47.175 50.527 27.883 1.00 0.00 N ATOM 93 CA LYS A 6 48.153 51.121 28.772 1.00 0.00 C ATOM 94 C LYS A 6 49.520 50.450 28.624 1.00 0.00 C ATOM 95 O LYS A 6 49.601 49.224 28.626 1.00 0.00 O ATOM 96 CB LYS A 6 47.586 51.029 30.186 1.00 0.00 C ATOM 97 CG LYS A 6 48.270 51.958 31.185 1.00 0.00 C ATOM 98 CD LYS A 6 47.525 52.016 32.516 1.00 0.00 C ATOM 99 CE LYS A 6 47.621 50.705 33.290 1.00 0.00 C ATOM 100 NZ LYS A 6 46.834 50.757 34.533 1.00 0.00 N ATOM 0 H LYS A 6 46.708 49.723 28.302 1.00 0.00 H new ATOM 0 HA LYS A 6 48.329 52.167 28.523 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.522 51.262 30.157 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.677 50.001 30.538 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.291 51.618 31.356 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.335 52.960 30.762 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.932 52.825 33.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.477 52.252 32.333 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.265 49.885 32.666 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.664 50.496 33.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.920 49.851 35.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.191 51.524 35.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.835 50.933 34.304 1.00 0.00 H new ATOM 114 N THR A 7 50.580 51.244 28.502 1.00 0.00 N ATOM 115 CA THR A 7 51.947 50.773 28.401 1.00 0.00 C ATOM 116 C THR A 7 52.684 50.829 29.741 1.00 0.00 C ATOM 117 O THR A 7 52.335 51.610 30.622 1.00 0.00 O ATOM 118 CB THR A 7 52.754 51.550 27.366 1.00 0.00 C ATOM 119 OG1 THR A 7 52.999 52.864 27.817 1.00 0.00 O ATOM 120 CG2 THR A 7 52.084 51.637 25.998 1.00 0.00 C ATOM 0 H THR A 7 50.503 52.261 28.470 1.00 0.00 H new ATOM 0 HA THR A 7 51.866 49.734 28.083 1.00 0.00 H new ATOM 0 HB THR A 7 53.682 50.991 27.247 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.200 53.413 27.675 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.719 52.204 25.317 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.934 50.633 25.602 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.120 52.136 26.096 1.00 0.00 H new ATOM 128 N LEU A 8 53.759 50.057 29.874 1.00 0.00 N ATOM 129 CA LEU A 8 54.662 50.134 31.005 1.00 0.00 C ATOM 130 C LEU A 8 55.654 51.296 30.926 1.00 0.00 C ATOM 131 O LEU A 8 56.367 51.548 31.896 1.00 0.00 O ATOM 132 CB LEU A 8 55.374 48.793 31.154 1.00 0.00 C ATOM 133 CG LEU A 8 54.470 47.595 31.434 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.317 46.327 31.494 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.720 47.719 32.758 1.00 0.00 C ATOM 0 H LEU A 8 54.026 49.352 29.186 1.00 0.00 H new ATOM 0 HA LEU A 8 54.066 50.343 31.894 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.936 48.596 30.241 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.100 48.875 31.963 1.00 0.00 H new ATOM 0 HG LEU A 8 53.738 47.556 30.627 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.675 45.469 31.694 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.827 46.184 30.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.056 46.420 32.290 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.093 46.840 32.905 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.436 47.795 33.576 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.095 48.612 32.740 1.00 0.00 H new ATOM 147 N THR A 9 55.717 52.005 29.803 1.00 0.00 N ATOM 148 CA THR A 9 56.701 53.026 29.505 1.00 0.00 C ATOM 149 C THR A 9 56.173 54.456 29.638 1.00 0.00 C ATOM 150 O THR A 9 56.952 55.345 29.978 1.00 0.00 O ATOM 151 CB THR A 9 57.296 52.808 28.118 1.00 0.00 C ATOM 152 OG1 THR A 9 56.271 52.600 27.173 1.00 0.00 O ATOM 153 CG2 THR A 9 58.183 51.566 28.073 1.00 0.00 C ATOM 0 H THR A 9 55.049 51.873 29.044 1.00 0.00 H new ATOM 0 HA THR A 9 57.478 52.919 30.262 1.00 0.00 H new ATOM 0 HB THR A 9 57.880 53.699 27.890 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.666 52.463 26.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.588 51.445 27.068 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.002 51.678 28.784 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.593 50.688 28.335 1.00 0.00 H new ATOM 161 N GLY A 10 54.881 54.697 29.441 1.00 0.00 N ATOM 162 CA GLY A 10 54.254 55.975 29.714 1.00 0.00 C ATOM 163 C GLY A 10 52.935 56.237 28.984 1.00 0.00 C ATOM 164 O GLY A 10 51.982 56.713 29.596 1.00 0.00 O ATOM 0 H GLY A 10 54.234 53.995 29.081 1.00 0.00 H new ATOM 0 HA2 GLY A 10 54.075 56.049 30.787 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.956 56.767 29.452 1.00 0.00 H new ATOM 168 N LYS A 11 52.850 55.902 27.699 1.00 0.00 N ATOM 169 CA LYS A 11 51.688 56.163 26.873 1.00 0.00 C ATOM 170 C LYS A 11 50.476 55.309 27.253 1.00 0.00 C ATOM 171 O LYS A 11 50.613 54.198 27.762 1.00 0.00 O ATOM 172 CB LYS A 11 51.995 55.958 25.393 1.00 0.00 C ATOM 173 CG LYS A 11 52.928 56.995 24.773 1.00 0.00 C ATOM 174 CD LYS A 11 52.877 56.881 23.253 1.00 0.00 C ATOM 175 CE LYS A 11 53.985 57.695 22.592 1.00 0.00 C ATOM 176 NZ LYS A 11 53.758 57.791 21.142 1.00 0.00 N ATOM 0 H LYS A 11 53.605 55.433 27.199 1.00 0.00 H new ATOM 0 HA LYS A 11 51.435 57.208 27.055 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.438 54.971 25.264 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.056 55.961 24.840 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.632 57.997 25.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.948 56.840 25.126 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.971 55.835 22.963 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.907 57.226 22.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.020 58.694 23.028 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.951 57.229 22.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.441 58.457 20.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.881 56.854 20.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.791 58.130 20.964 1.00 0.00 H new ATOM 190 N THR A 12 49.299 55.803 26.882 1.00 0.00 N ATOM 191 CA THR A 12 48.059 55.060 26.775 1.00 0.00 C ATOM 192 C THR A 12 47.468 55.295 25.383 1.00 0.00 C ATOM 193 O THR A 12 47.198 56.429 24.994 1.00 0.00 O ATOM 194 CB THR A 12 47.083 55.463 27.876 1.00 0.00 C ATOM 195 OG1 THR A 12 47.641 55.179 29.139 1.00 0.00 O ATOM 196 CG2 THR A 12 45.768 54.692 27.811 1.00 0.00 C ATOM 0 H THR A 12 49.184 56.786 26.636 1.00 0.00 H new ATOM 0 HA THR A 12 48.254 53.996 26.905 1.00 0.00 H new ATOM 0 HB THR A 12 46.893 56.527 27.732 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.010 55.442 29.842 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.113 55.021 28.618 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.284 54.879 26.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.966 53.625 27.916 1.00 0.00 H new ATOM 204 N ILE A 13 47.292 54.228 24.609 1.00 0.00 N ATOM 205 CA ILE A 13 46.821 54.267 23.240 1.00 0.00 C ATOM 206 C ILE A 13 45.294 54.157 23.233 1.00 0.00 C ATOM 207 O ILE A 13 44.758 53.238 23.850 1.00 0.00 O ATOM 208 CB ILE A 13 47.466 53.169 22.399 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.951 52.926 22.654 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.231 53.440 20.916 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.871 54.133 22.503 1.00 0.00 C ATOM 0 H ILE A 13 47.482 53.281 24.936 1.00 0.00 H new ATOM 0 HA ILE A 13 47.110 55.216 22.788 1.00 0.00 H new ATOM 0 HB ILE A 13 46.972 52.250 22.715 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.064 52.534 23.665 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.292 52.149 21.971 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.695 52.651 20.324 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.160 53.462 20.715 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.670 54.401 20.648 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.899 53.835 22.709 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.802 54.518 21.486 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.571 54.910 23.206 1.00 0.00 H new ATOM 223 N THR A 14 44.593 55.047 22.537 1.00 0.00 N ATOM 224 CA THR A 14 43.153 54.990 22.390 1.00 0.00 C ATOM 225 C THR A 14 42.807 54.371 21.033 1.00 0.00 C ATOM 226 O THR A 14 43.356 54.799 20.021 1.00 0.00 O ATOM 227 CB THR A 14 42.484 56.354 22.534 1.00 0.00 C ATOM 228 OG1 THR A 14 42.943 57.012 23.694 1.00 0.00 O ATOM 229 CG2 THR A 14 40.969 56.218 22.656 1.00 0.00 C ATOM 0 H THR A 14 45.021 55.837 22.055 1.00 0.00 H new ATOM 0 HA THR A 14 42.767 54.370 23.199 1.00 0.00 H new ATOM 0 HB THR A 14 42.737 56.925 21.641 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.419 56.716 24.467 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.522 57.207 22.757 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.574 55.731 21.764 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.727 55.619 23.534 1.00 0.00 H new ATOM 237 N LEU A 15 41.917 53.382 21.012 1.00 0.00 N ATOM 238 CA LEU A 15 41.588 52.600 19.838 1.00 0.00 C ATOM 239 C LEU A 15 40.075 52.534 19.620 1.00 0.00 C ATOM 240 O LEU A 15 39.338 52.277 20.569 1.00 0.00 O ATOM 241 CB LEU A 15 42.139 51.186 20.000 1.00 0.00 C ATOM 242 CG LEU A 15 43.632 51.083 20.298 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.974 49.631 20.621 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.504 51.523 19.126 1.00 0.00 C ATOM 0 H LEU A 15 41.393 53.099 21.840 1.00 0.00 H new ATOM 0 HA LEU A 15 42.037 53.082 18.970 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.593 50.694 20.805 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.931 50.629 19.086 1.00 0.00 H new ATOM 0 HG LEU A 15 43.836 51.748 21.137 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.039 49.547 20.835 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.402 49.307 21.491 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.725 49.000 19.768 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.555 51.427 19.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.295 50.894 18.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.286 52.562 18.880 1.00 0.00 H new ATOM 256 N GLU A 16 39.621 52.702 18.381 1.00 0.00 N ATOM 257 CA GLU A 16 38.243 52.509 17.975 1.00 0.00 C ATOM 258 C GLU A 16 38.018 51.055 17.555 1.00 0.00 C ATOM 259 O GLU A 16 38.738 50.526 16.712 1.00 0.00 O ATOM 260 CB GLU A 16 37.899 53.517 16.882 1.00 0.00 C ATOM 261 CG GLU A 16 36.472 53.461 16.344 1.00 0.00 C ATOM 262 CD GLU A 16 35.389 53.719 17.394 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.396 54.781 18.053 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.476 52.876 17.524 1.00 0.00 O ATOM 0 H GLU A 16 40.227 52.986 17.611 1.00 0.00 H new ATOM 0 HA GLU A 16 37.565 52.693 18.808 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.081 54.519 17.270 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.586 53.368 16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.369 54.196 15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.303 52.481 15.899 1.00 0.00 H new ATOM 271 N VAL A 17 37.060 50.382 18.187 1.00 0.00 N ATOM 272 CA VAL A 17 36.811 48.956 18.134 1.00 0.00 C ATOM 273 C VAL A 17 35.316 48.653 18.257 1.00 0.00 C ATOM 274 O VAL A 17 34.513 49.533 18.558 1.00 0.00 O ATOM 275 CB VAL A 17 37.574 48.237 19.241 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.091 48.364 19.123 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.175 48.707 20.637 1.00 0.00 C ATOM 0 H VAL A 17 36.392 50.860 18.792 1.00 0.00 H new ATOM 0 HA VAL A 17 37.160 48.595 17.167 1.00 0.00 H new ATOM 0 HB VAL A 17 37.294 47.192 19.106 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.566 47.828 19.944 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.419 47.939 18.174 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.372 49.416 19.166 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.751 48.160 21.384 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.377 49.774 20.733 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.112 48.523 20.793 1.00 0.00 H new ATOM 287 N GLU A 18 34.916 47.396 18.085 1.00 0.00 N ATOM 288 CA GLU A 18 33.568 46.921 18.324 1.00 0.00 C ATOM 289 C GLU A 18 33.570 45.660 19.191 1.00 0.00 C ATOM 290 O GLU A 18 34.568 44.943 19.196 1.00 0.00 O ATOM 291 CB GLU A 18 32.854 46.643 17.003 1.00 0.00 C ATOM 292 CG GLU A 18 32.537 47.882 16.170 1.00 0.00 C ATOM 293 CD GLU A 18 31.592 48.863 16.865 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.617 48.423 17.512 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.793 50.092 16.754 1.00 0.00 O ATOM 0 H GLU A 18 35.546 46.661 17.765 1.00 0.00 H new ATOM 0 HA GLU A 18 33.032 47.705 18.859 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.472 45.971 16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.923 46.117 17.214 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.468 48.396 15.930 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.092 47.570 15.225 1.00 0.00 H new ATOM 302 N PRO A 19 32.488 45.320 19.886 1.00 0.00 N ATOM 303 CA PRO A 19 32.358 44.073 20.613 1.00 0.00 C ATOM 304 C PRO A 19 32.662 42.813 19.801 1.00 0.00 C ATOM 305 O PRO A 19 33.175 41.833 20.337 1.00 0.00 O ATOM 306 CB PRO A 19 30.910 44.046 21.093 1.00 0.00 C ATOM 307 CG PRO A 19 30.583 45.525 21.284 1.00 0.00 C ATOM 308 CD PRO A 19 31.336 46.166 20.121 1.00 0.00 C ATOM 0 HA PRO A 19 33.096 44.052 21.415 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.251 43.578 20.361 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.803 43.486 22.022 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.511 45.716 21.232 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.927 45.898 22.249 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.707 46.226 19.233 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.641 47.184 20.365 1.00 0.00 H new ATOM 316 N SER A 20 32.369 42.834 18.504 1.00 0.00 N ATOM 317 CA SER A 20 32.634 41.771 17.555 1.00 0.00 C ATOM 318 C SER A 20 34.031 41.817 16.933 1.00 0.00 C ATOM 319 O SER A 20 34.312 41.022 16.038 1.00 0.00 O ATOM 320 CB SER A 20 31.597 41.788 16.436 1.00 0.00 C ATOM 321 OG SER A 20 30.282 41.865 16.942 1.00 0.00 O ATOM 0 H SER A 20 31.916 43.638 18.069 1.00 0.00 H new ATOM 0 HA SER A 20 32.574 40.849 18.133 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.784 42.638 15.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.701 40.888 15.830 1.00 0.00 H new ATOM 0 HG SER A 20 29.645 41.876 16.197 1.00 0.00 H new ATOM 327 N ASP A 21 34.902 42.748 17.316 1.00 0.00 N ATOM 328 CA ASP A 21 36.209 42.937 16.721 1.00 0.00 C ATOM 329 C ASP A 21 37.268 42.044 17.370 1.00 0.00 C ATOM 330 O ASP A 21 37.224 41.817 18.578 1.00 0.00 O ATOM 331 CB ASP A 21 36.583 44.415 16.789 1.00 0.00 C ATOM 332 CG ASP A 21 37.696 44.810 15.816 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.877 44.130 14.783 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.328 45.869 16.023 1.00 0.00 O ATOM 0 H ASP A 21 34.706 43.406 18.070 1.00 0.00 H new ATOM 0 HA ASP A 21 36.167 42.635 15.675 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.698 45.015 16.579 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.897 44.655 17.805 1.00 0.00 H new ATOM 339 N THR A 22 38.206 41.522 16.586 1.00 0.00 N ATOM 340 CA THR A 22 39.196 40.560 17.027 1.00 0.00 C ATOM 341 C THR A 22 40.497 41.191 17.527 1.00 0.00 C ATOM 342 O THR A 22 40.909 42.254 17.065 1.00 0.00 O ATOM 343 CB THR A 22 39.517 39.482 15.996 1.00 0.00 C ATOM 344 OG1 THR A 22 40.200 39.988 14.872 1.00 0.00 O ATOM 345 CG2 THR A 22 38.289 38.723 15.503 1.00 0.00 C ATOM 0 H THR A 22 38.296 41.767 15.600 1.00 0.00 H new ATOM 0 HA THR A 22 38.706 40.080 17.874 1.00 0.00 H new ATOM 0 HB THR A 22 40.163 38.791 16.538 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.383 39.258 14.244 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.594 37.973 14.773 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.802 38.232 16.346 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.593 39.421 15.038 1.00 0.00 H new ATOM 353 N ILE A 23 41.186 40.511 18.437 1.00 0.00 N ATOM 354 CA ILE A 23 42.390 40.997 19.081 1.00 0.00 C ATOM 355 C ILE A 23 43.514 41.332 18.099 1.00 0.00 C ATOM 356 O ILE A 23 44.193 42.334 18.305 1.00 0.00 O ATOM 357 CB ILE A 23 42.829 39.992 20.143 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.825 39.830 21.280 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.209 40.285 20.726 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.509 41.074 22.105 1.00 0.00 C ATOM 0 H ILE A 23 40.910 39.581 18.752 1.00 0.00 H new ATOM 0 HA ILE A 23 42.155 41.947 19.560 1.00 0.00 H new ATOM 0 HB ILE A 23 42.882 39.050 19.597 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.892 39.457 20.858 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.199 39.061 21.956 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.456 39.531 21.474 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.953 40.263 19.929 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.205 41.270 21.192 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.783 40.823 22.879 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.423 41.443 22.571 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.095 41.846 21.456 1.00 0.00 H new ATOM 372 N GLU A 24 43.713 40.588 17.015 1.00 0.00 N ATOM 373 CA GLU A 24 44.718 40.946 16.034 1.00 0.00 C ATOM 374 C GLU A 24 44.416 42.273 15.335 1.00 0.00 C ATOM 375 O GLU A 24 45.331 43.067 15.129 1.00 0.00 O ATOM 376 CB GLU A 24 44.937 39.819 15.028 1.00 0.00 C ATOM 377 CG GLU A 24 46.152 40.087 14.144 1.00 0.00 C ATOM 378 CD GLU A 24 46.593 38.831 13.391 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.009 38.518 12.331 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.535 38.159 13.862 1.00 0.00 O ATOM 0 H GLU A 24 43.192 39.738 16.799 1.00 0.00 H new ATOM 0 HA GLU A 24 45.649 41.093 16.581 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.073 38.877 15.559 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.050 39.708 14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.915 40.875 13.429 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.976 40.451 14.758 1.00 0.00 H new ATOM 387 N ASN A 25 43.153 42.585 15.060 1.00 0.00 N ATOM 388 CA ASN A 25 42.772 43.881 14.536 1.00 0.00 C ATOM 389 C ASN A 25 42.960 45.012 15.548 1.00 0.00 C ATOM 390 O ASN A 25 43.279 46.133 15.159 1.00 0.00 O ATOM 391 CB ASN A 25 41.342 43.822 14.006 1.00 0.00 C ATOM 392 CG ASN A 25 40.981 45.071 13.200 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.728 45.547 12.348 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.802 45.645 13.422 1.00 0.00 N ATOM 0 H ASN A 25 42.371 41.944 15.196 1.00 0.00 H new ATOM 0 HA ASN A 25 43.444 44.117 13.711 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.223 42.938 13.379 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.649 43.716 14.841 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.528 46.470 12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.172 45.260 14.126 1.00 0.00 H new ATOM 401 N VAL A 26 42.849 44.745 16.846 1.00 0.00 N ATOM 402 CA VAL A 26 43.210 45.690 17.884 1.00 0.00 C ATOM 403 C VAL A 26 44.715 45.965 17.849 1.00 0.00 C ATOM 404 O VAL A 26 45.123 47.124 17.819 1.00 0.00 O ATOM 405 CB VAL A 26 42.746 45.232 19.264 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.045 46.260 20.350 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.241 44.980 19.308 1.00 0.00 C ATOM 0 H VAL A 26 42.502 43.856 17.205 1.00 0.00 H new ATOM 0 HA VAL A 26 42.688 46.626 17.684 1.00 0.00 H new ATOM 0 HB VAL A 26 43.299 44.311 19.450 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.695 45.885 21.312 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.120 46.436 20.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.534 47.194 20.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.955 44.656 20.309 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.711 45.899 19.059 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.981 44.205 18.588 1.00 0.00 H new ATOM 417 N LYS A 27 45.543 44.928 17.759 1.00 0.00 N ATOM 418 CA LYS A 27 46.981 45.039 17.619 1.00 0.00 C ATOM 419 C LYS A 27 47.395 45.757 16.333 1.00 0.00 C ATOM 420 O LYS A 27 48.299 46.588 16.355 1.00 0.00 O ATOM 421 CB LYS A 27 47.624 43.658 17.713 1.00 0.00 C ATOM 422 CG LYS A 27 47.463 42.996 19.079 1.00 0.00 C ATOM 423 CD LYS A 27 48.047 41.586 19.083 1.00 0.00 C ATOM 424 CE LYS A 27 47.920 40.936 20.456 1.00 0.00 C ATOM 425 NZ LYS A 27 48.435 39.558 20.449 1.00 0.00 N ATOM 0 H LYS A 27 45.217 43.962 17.783 1.00 0.00 H new ATOM 0 HA LYS A 27 47.343 45.656 18.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.187 43.011 16.952 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.686 43.746 17.485 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.959 43.600 19.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.406 42.955 19.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.533 40.975 18.341 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.097 41.624 18.793 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.467 41.526 21.191 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.874 40.933 20.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.083 39.052 21.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.112 39.071 19.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.475 39.576 20.467 1.00 0.00 H new ATOM 439 N ALA A 28 46.703 45.526 15.221 1.00 0.00 N ATOM 440 CA ALA A 28 46.913 46.231 13.972 1.00 0.00 C ATOM 441 C ALA A 28 46.562 47.718 14.057 1.00 0.00 C ATOM 442 O ALA A 28 47.202 48.537 13.401 1.00 0.00 O ATOM 443 CB ALA A 28 46.123 45.529 12.871 1.00 0.00 C ATOM 0 H ALA A 28 45.964 44.825 15.168 1.00 0.00 H new ATOM 0 HA ALA A 28 47.977 46.201 13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.273 46.051 11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.468 44.499 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.063 45.535 13.124 1.00 0.00 H new ATOM 449 N LYS A 29 45.604 48.107 14.893 1.00 0.00 N ATOM 450 CA LYS A 29 45.271 49.492 15.155 1.00 0.00 C ATOM 451 C LYS A 29 46.238 50.174 16.126 1.00 0.00 C ATOM 452 O LYS A 29 46.367 51.395 16.068 1.00 0.00 O ATOM 453 CB LYS A 29 43.802 49.607 15.551 1.00 0.00 C ATOM 454 CG LYS A 29 42.916 49.431 14.322 1.00 0.00 C ATOM 455 CD LYS A 29 41.417 49.513 14.594 1.00 0.00 C ATOM 456 CE LYS A 29 40.865 48.252 15.252 1.00 0.00 C ATOM 457 NZ LYS A 29 39.395 48.263 15.235 1.00 0.00 N ATOM 0 H LYS A 29 45.028 47.448 15.416 1.00 0.00 H new ATOM 0 HA LYS A 29 45.402 50.056 14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.558 48.851 16.297 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.615 50.579 16.008 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.180 50.194 13.590 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.136 48.464 13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.215 50.370 15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.891 49.687 13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.234 47.370 14.728 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.222 48.185 16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.037 47.349 15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.046 49.024 15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.060 48.424 14.264 1.00 0.00 H new ATOM 471 N ILE A 30 46.976 49.425 16.941 1.00 0.00 N ATOM 472 CA ILE A 30 48.137 49.905 17.663 1.00 0.00 C ATOM 473 C ILE A 30 49.312 50.123 16.708 1.00 0.00 C ATOM 474 O ILE A 30 49.945 51.176 16.754 1.00 0.00 O ATOM 475 CB ILE A 30 48.508 48.981 18.820 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.388 48.937 19.856 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.809 49.415 19.488 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.492 47.801 20.870 1.00 0.00 C ATOM 0 H ILE A 30 46.772 48.441 17.118 1.00 0.00 H new ATOM 0 HA ILE A 30 47.882 50.868 18.105 1.00 0.00 H new ATOM 0 HB ILE A 30 48.652 47.984 18.404 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.374 49.885 20.395 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.434 48.853 19.335 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.042 48.735 20.307 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.618 49.394 18.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.698 50.427 19.877 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.652 47.854 21.563 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.472 46.844 20.348 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.426 47.892 21.424 1.00 0.00 H new ATOM 490 N GLN A 31 49.580 49.181 15.808 1.00 0.00 N ATOM 491 CA GLN A 31 50.587 49.294 14.773 1.00 0.00 C ATOM 492 C GLN A 31 50.413 50.587 13.971 1.00 0.00 C ATOM 493 O GLN A 31 51.387 51.296 13.733 1.00 0.00 O ATOM 494 CB GLN A 31 50.534 48.065 13.871 1.00 0.00 C ATOM 495 CG GLN A 31 51.666 47.974 12.852 1.00 0.00 C ATOM 496 CD GLN A 31 51.489 46.831 11.849 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.399 46.313 11.620 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.554 46.377 11.194 1.00 0.00 N ATOM 0 H GLN A 31 49.082 48.291 15.784 1.00 0.00 H new ATOM 0 HA GLN A 31 51.571 49.340 15.240 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.552 47.172 14.495 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.583 48.062 13.339 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.733 48.917 12.309 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.611 47.842 13.380 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.471 46.789 11.365 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.453 45.617 10.521 1.00 0.00 H new ATOM 507 N ASP A 32 49.180 50.940 13.619 1.00 0.00 N ATOM 508 CA ASP A 32 48.850 52.125 12.852 1.00 0.00 C ATOM 509 C ASP A 32 49.070 53.467 13.555 1.00 0.00 C ATOM 510 O ASP A 32 49.001 54.509 12.907 1.00 0.00 O ATOM 511 CB ASP A 32 47.418 51.979 12.346 1.00 0.00 C ATOM 512 CG ASP A 32 47.066 52.969 11.233 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.842 53.111 10.264 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.985 53.588 11.328 1.00 0.00 O ATOM 0 H ASP A 32 48.360 50.387 13.871 1.00 0.00 H new ATOM 0 HA ASP A 32 49.562 52.171 12.028 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.271 50.963 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.729 52.120 13.179 1.00 0.00 H new ATOM 519 N LYS A 33 49.389 53.473 14.846 1.00 0.00 N ATOM 520 CA LYS A 33 49.809 54.647 15.583 1.00 0.00 C ATOM 521 C LYS A 33 51.282 54.598 15.998 1.00 0.00 C ATOM 522 O LYS A 33 52.016 55.563 15.799 1.00 0.00 O ATOM 523 CB LYS A 33 48.920 54.862 16.804 1.00 0.00 C ATOM 524 CG LYS A 33 47.539 55.398 16.434 1.00 0.00 C ATOM 525 CD LYS A 33 46.703 55.636 17.687 1.00 0.00 C ATOM 526 CE LYS A 33 45.429 56.411 17.364 1.00 0.00 C ATOM 527 NZ LYS A 33 44.704 56.769 18.594 1.00 0.00 N ATOM 0 H LYS A 33 49.359 52.631 15.421 1.00 0.00 H new ATOM 0 HA LYS A 33 49.701 55.493 14.904 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.809 53.919 17.339 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.407 55.560 17.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.642 56.329 15.876 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.031 54.689 15.780 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.444 54.680 18.141 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.291 56.188 18.420 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.680 57.315 16.809 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.786 55.810 16.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.983 57.486 18.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.243 55.922 18.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.373 57.152 19.292 1.00 0.00 H new ATOM 541 N GLU A 34 51.721 53.488 16.584 1.00 0.00 N ATOM 542 CA GLU A 34 53.010 53.396 17.239 1.00 0.00 C ATOM 543 C GLU A 34 54.084 52.654 16.443 1.00 0.00 C ATOM 544 O GLU A 34 55.252 52.715 16.817 1.00 0.00 O ATOM 545 CB GLU A 34 52.821 52.792 18.628 1.00 0.00 C ATOM 546 CG GLU A 34 51.944 53.630 19.554 1.00 0.00 C ATOM 547 CD GLU A 34 52.475 55.049 19.772 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.687 55.218 20.028 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.707 56.030 19.679 1.00 0.00 O ATOM 0 H GLU A 34 51.183 52.622 16.615 1.00 0.00 H new ATOM 0 HA GLU A 34 53.397 54.412 17.317 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.380 51.801 18.525 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.799 52.659 19.092 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.938 53.686 19.138 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.862 53.128 20.518 1.00 0.00 H new ATOM 556 N GLY A 35 53.743 51.968 15.354 1.00 0.00 N ATOM 557 CA GLY A 35 54.703 51.234 14.556 1.00 0.00 C ATOM 558 C GLY A 35 55.204 49.936 15.193 1.00 0.00 C ATOM 559 O GLY A 35 56.260 49.434 14.813 1.00 0.00 O ATOM 0 H GLY A 35 52.786 51.910 15.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.250 50.999 13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.559 51.879 14.357 1.00 0.00 H new ATOM 563 N ILE A 36 54.473 49.395 16.163 1.00 0.00 N ATOM 564 CA ILE A 36 54.772 48.142 16.827 1.00 0.00 C ATOM 565 C ILE A 36 54.009 47.028 16.106 1.00 0.00 C ATOM 566 O ILE A 36 52.782 47.093 16.084 1.00 0.00 O ATOM 567 CB ILE A 36 54.406 48.210 18.307 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.094 49.377 19.011 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.774 46.892 18.983 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.654 49.595 20.456 1.00 0.00 C ATOM 0 H ILE A 36 53.625 49.838 16.517 1.00 0.00 H new ATOM 0 HA ILE A 36 55.841 47.937 16.781 1.00 0.00 H new ATOM 0 HB ILE A 36 53.331 48.376 18.383 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.171 49.211 18.994 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.903 50.289 18.445 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.513 46.940 20.040 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.227 46.076 18.511 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.845 46.718 18.881 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.194 50.443 20.877 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.583 49.796 20.484 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.871 48.701 21.041 1.00 0.00 H new ATOM 582 N PRO A 37 54.656 46.025 15.519 1.00 0.00 N ATOM 583 CA PRO A 37 53.968 44.962 14.814 1.00 0.00 C ATOM 584 C PRO A 37 53.062 44.099 15.692 1.00 0.00 C ATOM 585 O PRO A 37 53.392 43.879 16.855 1.00 0.00 O ATOM 586 CB PRO A 37 55.063 44.107 14.182 1.00 0.00 C ATOM 587 CG PRO A 37 56.209 45.098 13.994 1.00 0.00 C ATOM 588 CD PRO A 37 56.078 45.939 15.260 1.00 0.00 C ATOM 0 HA PRO A 37 53.291 45.404 14.083 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.350 43.277 14.828 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.742 43.677 13.233 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.177 44.601 13.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.094 45.695 13.089 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.602 45.475 16.096 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.513 46.929 15.121 1.00 0.00 H new ATOM 596 N PRO A 38 51.968 43.546 15.176 1.00 0.00 N ATOM 597 CA PRO A 38 51.070 42.697 15.932 1.00 0.00 C ATOM 598 C PRO A 38 51.712 41.450 16.545 1.00 0.00 C ATOM 599 O PRO A 38 51.287 41.016 17.613 1.00 0.00 O ATOM 600 CB PRO A 38 49.957 42.292 14.968 1.00 0.00 C ATOM 601 CG PRO A 38 49.889 43.486 14.021 1.00 0.00 C ATOM 602 CD PRO A 38 51.358 43.879 13.904 1.00 0.00 C ATOM 0 HA PRO A 38 50.715 43.262 16.794 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.194 41.368 14.440 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.011 42.130 15.485 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.460 43.218 13.056 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.281 44.295 14.426 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.841 43.341 13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.461 44.943 13.690 1.00 0.00 H new ATOM 610 N ASP A 39 52.757 40.893 15.940 1.00 0.00 N ATOM 611 CA ASP A 39 53.417 39.708 16.449 1.00 0.00 C ATOM 612 C ASP A 39 54.226 39.970 17.721 1.00 0.00 C ATOM 613 O ASP A 39 54.351 39.077 18.556 1.00 0.00 O ATOM 614 CB ASP A 39 54.275 39.083 15.352 1.00 0.00 C ATOM 615 CG ASP A 39 55.354 40.042 14.843 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.529 39.931 15.253 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.012 40.947 14.052 1.00 0.00 O ATOM 0 H ASP A 39 53.167 41.257 15.080 1.00 0.00 H new ATOM 0 HA ASP A 39 52.641 39.000 16.740 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.747 38.178 15.734 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.637 38.783 14.521 1.00 0.00 H new ATOM 622 N GLN A 40 54.713 41.193 17.911 1.00 0.00 N ATOM 623 CA GLN A 40 55.621 41.565 18.977 1.00 0.00 C ATOM 624 C GLN A 40 54.918 41.897 20.295 1.00 0.00 C ATOM 625 O GLN A 40 55.587 42.116 21.303 1.00 0.00 O ATOM 626 CB GLN A 40 56.502 42.707 18.478 1.00 0.00 C ATOM 627 CG GLN A 40 57.851 42.825 19.182 1.00 0.00 C ATOM 628 CD GLN A 40 58.722 43.956 18.633 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.328 44.760 17.791 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.960 44.107 19.094 1.00 0.00 N ATOM 0 H GLN A 40 54.474 41.976 17.302 1.00 0.00 H new ATOM 0 HA GLN A 40 56.241 40.702 19.222 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.675 42.575 17.410 1.00 0.00 H new ATOM 0 HB3 GLN A 40 55.961 43.645 18.599 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.684 42.988 20.247 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.388 41.882 19.084 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.326 43.461 19.794 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.544 44.869 18.748 1.00 0.00 H new ATOM 639 N GLN A 41 53.588 41.929 20.328 1.00 0.00 N ATOM 640 CA GLN A 41 52.831 42.486 21.431 1.00 0.00 C ATOM 641 C GLN A 41 51.797 41.534 22.035 1.00 0.00 C ATOM 642 O GLN A 41 50.990 40.932 21.329 1.00 0.00 O ATOM 643 CB GLN A 41 52.239 43.828 21.010 1.00 0.00 C ATOM 644 CG GLN A 41 51.145 43.716 19.950 1.00 0.00 C ATOM 645 CD GLN A 41 50.775 45.065 19.329 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.829 45.730 19.742 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.498 45.499 18.302 1.00 0.00 N ATOM 0 H GLN A 41 53.004 41.562 19.576 1.00 0.00 H new ATOM 0 HA GLN A 41 53.526 42.649 22.255 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.830 44.326 21.889 1.00 0.00 H new ATOM 0 HB3 GLN A 41 53.038 44.463 20.628 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.477 43.039 19.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 50.256 43.272 20.398 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.283 44.945 17.961 1.00 0.00 H new ATOM 0 HE22 GLN A 41 51.268 46.386 17.855 1.00 0.00 H new ATOM 656 N ARG A 42 51.798 41.446 23.362 1.00 0.00 N ATOM 657 CA ARG A 42 50.795 40.778 24.168 1.00 0.00 C ATOM 658 C ARG A 42 49.752 41.796 24.631 1.00 0.00 C ATOM 659 O ARG A 42 50.136 42.860 25.113 1.00 0.00 O ATOM 660 CB ARG A 42 51.424 40.147 25.406 1.00 0.00 C ATOM 661 CG ARG A 42 52.573 39.176 25.151 1.00 0.00 C ATOM 662 CD ARG A 42 53.213 38.786 26.479 1.00 0.00 C ATOM 663 NE ARG A 42 54.337 37.869 26.292 1.00 0.00 N ATOM 664 CZ ARG A 42 54.275 36.536 26.166 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.122 35.855 26.200 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.415 35.851 26.006 1.00 0.00 N ATOM 0 H ARG A 42 52.538 41.861 23.928 1.00 0.00 H new ATOM 0 HA ARG A 42 50.334 40.000 23.559 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.787 40.946 26.052 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.645 39.620 25.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.205 38.288 24.637 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.315 39.637 24.499 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.558 39.683 26.994 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.465 38.318 27.119 1.00 0.00 H new ATOM 0 HE ARG A 42 55.266 38.288 26.253 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.240 36.351 26.326 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.126 34.840 26.100 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.307 36.344 25.982 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.391 34.836 25.908 1.00 0.00 H new ATOM 680 N LEU A 43 48.469 41.458 24.552 1.00 0.00 N ATOM 681 CA LEU A 43 47.396 42.188 25.196 1.00 0.00 C ATOM 682 C LEU A 43 46.826 41.369 26.354 1.00 0.00 C ATOM 683 O LEU A 43 46.613 40.167 26.212 1.00 0.00 O ATOM 684 CB LEU A 43 46.322 42.572 24.182 1.00 0.00 C ATOM 685 CG LEU A 43 46.680 43.779 23.320 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.680 43.911 22.177 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.638 45.083 24.111 1.00 0.00 C ATOM 0 H LEU A 43 48.144 40.648 24.024 1.00 0.00 H new ATOM 0 HA LEU A 43 47.792 43.116 25.610 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.131 41.719 23.531 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.394 42.782 24.714 1.00 0.00 H new ATOM 0 HG LEU A 43 47.693 43.613 22.952 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.940 44.774 21.564 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.707 43.010 21.564 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.678 44.043 22.584 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.900 45.914 23.456 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.634 45.236 24.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.350 45.032 24.935 1.00 0.00 H new ATOM 699 N ILE A 44 46.593 42.015 27.493 1.00 0.00 N ATOM 700 CA ILE A 44 46.186 41.392 28.737 1.00 0.00 C ATOM 701 C ILE A 44 45.034 42.186 29.357 1.00 0.00 C ATOM 702 O ILE A 44 45.047 43.414 29.349 1.00 0.00 O ATOM 703 CB ILE A 44 47.366 41.241 29.692 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.640 40.755 29.008 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.011 40.315 30.852 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.851 40.559 29.914 1.00 0.00 C ATOM 0 H ILE A 44 46.688 43.028 27.572 1.00 0.00 H new ATOM 0 HA ILE A 44 45.828 40.383 28.532 1.00 0.00 H new ATOM 0 HB ILE A 44 47.573 42.241 30.072 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.424 39.808 28.513 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.906 41.469 28.229 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.868 40.223 31.519 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.166 40.728 31.402 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.746 39.331 30.464 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.697 40.212 29.321 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.106 41.506 30.391 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.617 39.819 30.679 1.00 0.00 H new ATOM 718 N PHE A 45 44.031 41.496 29.893 1.00 0.00 N ATOM 719 CA PHE A 45 42.944 42.076 30.655 1.00 0.00 C ATOM 720 C PHE A 45 42.493 41.120 31.763 1.00 0.00 C ATOM 721 O PHE A 45 42.402 39.918 31.522 1.00 0.00 O ATOM 722 CB PHE A 45 41.787 42.421 29.723 1.00 0.00 C ATOM 723 CG PHE A 45 40.644 43.180 30.354 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.698 44.577 30.447 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.513 42.502 30.821 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.630 45.291 31.004 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.445 43.215 31.382 1.00 0.00 C ATOM 728 CZ PHE A 45 38.501 44.610 31.475 1.00 0.00 C ATOM 0 H PHE A 45 43.956 40.483 29.802 1.00 0.00 H new ATOM 0 HA PHE A 45 43.292 42.993 31.130 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.176 43.010 28.893 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.396 41.495 29.301 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.568 45.106 30.087 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.463 41.426 30.749 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.677 46.368 31.070 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.576 42.686 31.744 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.678 45.159 31.908 1.00 0.00 H new ATOM 738 N ALA A 46 42.191 41.637 32.950 1.00 0.00 N ATOM 739 CA ALA A 46 41.755 40.893 34.114 1.00 0.00 C ATOM 740 C ALA A 46 42.581 39.641 34.421 1.00 0.00 C ATOM 741 O ALA A 46 42.040 38.589 34.754 1.00 0.00 O ATOM 742 CB ALA A 46 40.250 40.664 34.017 1.00 0.00 C ATOM 0 H ALA A 46 42.249 42.639 33.129 1.00 0.00 H new ATOM 0 HA ALA A 46 41.949 41.497 35.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.910 40.104 34.888 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.737 41.625 33.980 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.026 40.098 33.113 1.00 0.00 H new ATOM 748 N GLY A 47 43.900 39.725 34.285 1.00 0.00 N ATOM 749 CA GLY A 47 44.821 38.643 34.568 1.00 0.00 C ATOM 750 C GLY A 47 44.817 37.498 33.553 1.00 0.00 C ATOM 751 O GLY A 47 45.194 36.383 33.906 1.00 0.00 O ATOM 0 H GLY A 47 44.366 40.574 33.965 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.830 39.052 34.625 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.586 38.236 35.551 1.00 0.00 H new ATOM 755 N LYS A 48 44.381 37.752 32.323 1.00 0.00 N ATOM 756 CA LYS A 48 44.316 36.806 31.226 1.00 0.00 C ATOM 757 C LYS A 48 44.863 37.409 29.932 1.00 0.00 C ATOM 758 O LYS A 48 44.509 38.534 29.582 1.00 0.00 O ATOM 759 CB LYS A 48 42.883 36.322 31.026 1.00 0.00 C ATOM 760 CG LYS A 48 42.326 35.611 32.255 1.00 0.00 C ATOM 761 CD LYS A 48 41.016 34.870 32.003 1.00 0.00 C ATOM 762 CE LYS A 48 39.854 35.803 31.669 1.00 0.00 C ATOM 763 NZ LYS A 48 38.592 35.051 31.599 1.00 0.00 N ATOM 0 H LYS A 48 44.046 38.677 32.055 1.00 0.00 H new ATOM 0 HA LYS A 48 44.943 35.953 31.484 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.247 37.173 30.784 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.848 35.645 30.172 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.069 34.901 32.619 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.170 36.344 33.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.156 34.166 31.183 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.761 34.284 32.886 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.777 36.583 32.426 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.041 36.300 30.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.813 35.701 31.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.663 34.322 30.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.407 34.597 32.516 1.00 0.00 H new ATOM 777 N GLN A 49 45.707 36.671 29.217 1.00 0.00 N ATOM 778 CA GLN A 49 46.196 37.043 27.903 1.00 0.00 C ATOM 779 C GLN A 49 45.098 36.877 26.850 1.00 0.00 C ATOM 780 O GLN A 49 44.372 35.887 26.868 1.00 0.00 O ATOM 781 CB GLN A 49 47.408 36.203 27.513 1.00 0.00 C ATOM 782 CG GLN A 49 48.633 36.410 28.399 1.00 0.00 C ATOM 783 CD GLN A 49 49.888 35.857 27.719 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.521 36.543 26.919 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.269 34.606 27.959 1.00 0.00 N ATOM 0 H GLN A 49 46.075 35.779 29.547 1.00 0.00 H new ATOM 0 HA GLN A 49 46.494 38.091 27.946 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.129 35.150 27.541 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.678 36.434 26.482 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.763 37.472 28.607 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.483 35.914 29.358 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.748 34.032 28.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.083 34.220 27.480 1.00 0.00 H new ATOM 794 N LEU A 50 44.985 37.828 25.927 1.00 0.00 N ATOM 795 CA LEU A 50 43.926 37.874 24.941 1.00 0.00 C ATOM 796 C LEU A 50 44.377 37.258 23.614 1.00 0.00 C ATOM 797 O LEU A 50 45.452 37.572 23.109 1.00 0.00 O ATOM 798 CB LEU A 50 43.402 39.300 24.793 1.00 0.00 C ATOM 799 CG LEU A 50 43.136 40.060 26.090 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.534 41.426 25.772 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.185 39.342 27.044 1.00 0.00 C ATOM 0 H LEU A 50 45.645 38.602 25.848 1.00 0.00 H new ATOM 0 HA LEU A 50 43.092 37.263 25.286 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.121 39.869 24.204 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.476 39.266 24.220 1.00 0.00 H new ATOM 0 HG LEU A 50 44.103 40.144 26.586 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.345 41.966 26.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.230 41.996 25.156 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.596 41.294 25.232 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.046 39.945 27.942 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.222 39.193 26.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.606 38.375 27.318 1.00 0.00 H new ATOM 813 N GLU A 51 43.556 36.372 23.058 1.00 0.00 N ATOM 814 CA GLU A 51 43.888 35.524 21.932 1.00 0.00 C ATOM 815 C GLU A 51 43.537 36.175 20.592 1.00 0.00 C ATOM 816 O GLU A 51 42.441 36.701 20.416 1.00 0.00 O ATOM 817 CB GLU A 51 43.205 34.167 22.069 1.00 0.00 C ATOM 818 CG GLU A 51 43.742 33.361 23.249 1.00 0.00 C ATOM 819 CD GLU A 51 43.042 32.007 23.391 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.480 31.015 22.769 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.051 31.909 24.146 1.00 0.00 O ATOM 0 H GLU A 51 42.606 36.224 23.397 1.00 0.00 H new ATOM 0 HA GLU A 51 44.968 35.379 21.942 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.132 34.314 22.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.346 33.598 21.150 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.813 33.203 23.121 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.612 33.934 24.167 1.00 0.00 H new ATOM 828 N ASP A 52 44.446 36.091 19.625 1.00 0.00 N ATOM 829 CA ASP A 52 44.472 36.881 18.411 1.00 0.00 C ATOM 830 C ASP A 52 43.238 36.752 17.517 1.00 0.00 C ATOM 831 O ASP A 52 42.886 37.709 16.829 1.00 0.00 O ATOM 832 CB ASP A 52 45.738 36.535 17.632 1.00 0.00 C ATOM 833 CG ASP A 52 47.011 36.947 18.373 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.374 38.142 18.326 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.654 36.084 19.008 1.00 0.00 O ATOM 0 H ASP A 52 45.223 35.433 19.676 1.00 0.00 H new ATOM 0 HA ASP A 52 44.466 37.925 18.724 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.763 35.462 17.443 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.710 37.030 16.661 1.00 0.00 H new ATOM 840 N GLY A 53 42.567 35.604 17.522 1.00 0.00 N ATOM 841 CA GLY A 53 41.348 35.331 16.787 1.00 0.00 C ATOM 842 C GLY A 53 40.051 35.490 17.583 1.00 0.00 C ATOM 843 O GLY A 53 38.975 35.406 16.995 1.00 0.00 O ATOM 0 H GLY A 53 42.879 34.802 18.069 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.308 35.995 15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.396 34.312 16.403 1.00 0.00 H new ATOM 847 N ARG A 54 40.111 35.709 18.893 1.00 0.00 N ATOM 848 CA ARG A 54 38.950 35.955 19.726 1.00 0.00 C ATOM 849 C ARG A 54 38.600 37.444 19.760 1.00 0.00 C ATOM 850 O ARG A 54 39.353 38.284 19.272 1.00 0.00 O ATOM 851 CB ARG A 54 39.139 35.342 21.110 1.00 0.00 C ATOM 852 CG ARG A 54 39.340 33.829 21.116 1.00 0.00 C ATOM 853 CD ARG A 54 38.363 32.983 20.305 1.00 0.00 C ATOM 854 NE ARG A 54 36.960 33.119 20.698 1.00 0.00 N ATOM 855 CZ ARG A 54 36.003 32.196 20.530 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.223 31.028 19.911 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.758 32.410 20.976 1.00 0.00 N ATOM 0 H ARG A 54 40.989 35.720 19.411 1.00 0.00 H new ATOM 0 HA ARG A 54 38.087 35.457 19.285 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.000 35.811 21.586 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.268 35.581 21.720 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.346 33.622 20.751 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.300 33.489 22.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.459 33.251 19.253 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.651 31.935 20.394 1.00 0.00 H new ATOM 0 HE ARG A 54 36.685 33.996 21.140 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.150 30.812 19.545 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.463 30.355 19.806 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.529 33.284 21.450 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.039 31.699 20.842 1.00 0.00 H new ATOM 871 N THR A 55 37.426 37.758 20.299 1.00 0.00 N ATOM 872 CA THR A 55 36.781 39.054 20.232 1.00 0.00 C ATOM 873 C THR A 55 36.723 39.771 21.583 1.00 0.00 C ATOM 874 O THR A 55 36.799 39.132 22.630 1.00 0.00 O ATOM 875 CB THR A 55 35.364 38.953 19.674 1.00 0.00 C ATOM 876 OG1 THR A 55 34.574 38.075 20.444 1.00 0.00 O ATOM 877 CG2 THR A 55 35.330 38.482 18.223 1.00 0.00 C ATOM 0 H THR A 55 36.875 37.076 20.820 1.00 0.00 H new ATOM 0 HA THR A 55 37.404 39.642 19.558 1.00 0.00 H new ATOM 0 HB THR A 55 34.960 39.964 19.720 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.027 37.209 20.520 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.296 38.430 17.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.883 39.184 17.599 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.787 37.495 18.150 1.00 0.00 H new ATOM 885 N LEU A 56 36.500 41.082 21.586 1.00 0.00 N ATOM 886 CA LEU A 56 36.300 41.830 22.811 1.00 0.00 C ATOM 887 C LEU A 56 35.100 41.338 23.625 1.00 0.00 C ATOM 888 O LEU A 56 35.176 41.298 24.851 1.00 0.00 O ATOM 889 CB LEU A 56 36.216 43.317 22.480 1.00 0.00 C ATOM 890 CG LEU A 56 37.497 43.908 21.899 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.290 45.391 21.604 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.704 43.791 22.825 1.00 0.00 C ATOM 0 H LEU A 56 36.454 41.649 20.739 1.00 0.00 H new ATOM 0 HA LEU A 56 37.159 41.662 23.461 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.404 43.473 21.770 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.957 43.864 23.386 1.00 0.00 H new ATOM 0 HG LEU A 56 37.706 43.332 20.998 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.206 45.811 21.189 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.479 45.509 20.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.037 45.914 22.526 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.576 44.233 22.343 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.499 44.317 23.758 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.900 42.740 23.036 1.00 0.00 H new ATOM 904 N SER A 57 34.044 40.862 22.971 1.00 0.00 N ATOM 905 CA SER A 57 32.924 40.195 23.605 1.00 0.00 C ATOM 906 C SER A 57 33.233 38.817 24.192 1.00 0.00 C ATOM 907 O SER A 57 32.597 38.441 25.175 1.00 0.00 O ATOM 908 CB SER A 57 31.721 40.130 22.671 1.00 0.00 C ATOM 909 OG SER A 57 32.048 39.599 21.406 1.00 0.00 O ATOM 0 H SER A 57 33.947 40.934 21.958 1.00 0.00 H new ATOM 0 HA SER A 57 32.684 40.820 24.466 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.943 39.519 23.128 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.308 41.131 22.546 1.00 0.00 H new ATOM 0 HG SER A 57 32.435 40.304 20.846 1.00 0.00 H new ATOM 915 N ASP A 58 34.243 38.094 23.718 1.00 0.00 N ATOM 916 CA ASP A 58 34.728 36.902 24.384 1.00 0.00 C ATOM 917 C ASP A 58 35.350 37.201 25.749 1.00 0.00 C ATOM 918 O ASP A 58 35.427 36.318 26.601 1.00 0.00 O ATOM 919 CB ASP A 58 35.753 36.143 23.545 1.00 0.00 C ATOM 920 CG ASP A 58 35.178 35.508 22.276 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.709 35.720 21.164 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.193 34.746 22.369 1.00 0.00 O ATOM 0 H ASP A 58 34.745 38.323 22.860 1.00 0.00 H new ATOM 0 HA ASP A 58 33.843 36.282 24.523 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.554 36.827 23.265 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.201 35.361 24.158 1.00 0.00 H new ATOM 927 N TYR A 59 35.765 38.443 25.986 1.00 0.00 N ATOM 928 CA TYR A 59 36.340 38.913 27.231 1.00 0.00 C ATOM 929 C TYR A 59 35.449 39.901 27.986 1.00 0.00 C ATOM 930 O TYR A 59 35.871 40.441 29.006 1.00 0.00 O ATOM 931 CB TYR A 59 37.729 39.479 26.947 1.00 0.00 C ATOM 932 CG TYR A 59 38.659 38.482 26.298 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.127 37.395 27.045 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.010 38.616 24.949 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.941 36.429 26.441 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.826 37.657 24.336 1.00 0.00 C ATOM 937 CZ TYR A 59 40.284 36.552 25.081 1.00 0.00 C ATOM 938 OH TYR A 59 41.070 35.608 24.488 1.00 0.00 O ATOM 0 H TYR A 59 35.704 39.177 25.280 1.00 0.00 H new ATOM 0 HA TYR A 59 36.425 38.063 27.908 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.633 40.351 26.300 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.172 39.823 27.882 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.860 37.301 28.087 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.651 39.461 24.380 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.305 35.591 27.017 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.103 37.764 23.298 1.00 0.00 H new ATOM 0 HH TYR A 59 40.650 35.310 23.654 1.00 0.00 H new ATOM 948 N ASN A 60 34.222 40.131 27.529 1.00 0.00 N ATOM 949 CA ASN A 60 33.288 41.083 28.097 1.00 0.00 C ATOM 950 C ASN A 60 33.851 42.497 28.246 1.00 0.00 C ATOM 951 O ASN A 60 33.622 43.186 29.237 1.00 0.00 O ATOM 952 CB ASN A 60 32.666 40.485 29.357 1.00 0.00 C ATOM 953 CG ASN A 60 31.521 41.322 29.930 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.805 42.037 29.232 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.306 41.242 31.240 1.00 0.00 N ATOM 0 H ASN A 60 33.841 39.638 26.721 1.00 0.00 H new ATOM 0 HA ASN A 60 32.478 41.249 27.387 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.296 39.485 29.130 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.440 40.374 30.117 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.547 41.774 31.666 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.900 40.649 31.819 1.00 0.00 H new ATOM 962 N ILE A 61 34.632 42.950 27.269 1.00 0.00 N ATOM 963 CA ILE A 61 35.226 44.272 27.239 1.00 0.00 C ATOM 964 C ILE A 61 34.269 45.222 26.516 1.00 0.00 C ATOM 965 O ILE A 61 33.955 45.005 25.349 1.00 0.00 O ATOM 966 CB ILE A 61 36.614 44.209 26.608 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.567 43.388 27.471 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.190 45.605 26.384 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.917 43.081 26.830 1.00 0.00 C ATOM 0 H ILE A 61 34.873 42.386 26.454 1.00 0.00 H new ATOM 0 HA ILE A 61 35.372 44.659 28.247 1.00 0.00 H new ATOM 0 HB ILE A 61 36.506 43.723 25.638 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.739 43.923 28.405 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.081 42.447 27.727 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.179 45.523 25.933 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.534 46.167 25.719 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.269 46.124 27.339 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.523 42.494 27.521 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.763 42.515 25.911 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.431 44.014 26.600 1.00 0.00 H new ATOM 981 N GLN A 62 33.807 46.265 27.199 1.00 0.00 N ATOM 982 CA GLN A 62 32.981 47.333 26.672 1.00 0.00 C ATOM 983 C GLN A 62 33.669 48.697 26.753 1.00 0.00 C ATOM 984 O GLN A 62 34.805 48.793 27.212 1.00 0.00 O ATOM 985 CB GLN A 62 31.631 47.301 27.382 1.00 0.00 C ATOM 986 CG GLN A 62 30.752 46.166 26.863 1.00 0.00 C ATOM 987 CD GLN A 62 29.320 46.203 27.400 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.009 46.839 28.405 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.372 45.536 26.748 1.00 0.00 N ATOM 0 H GLN A 62 34.014 46.389 28.190 1.00 0.00 H new ATOM 0 HA GLN A 62 32.818 47.171 25.606 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.786 47.181 28.454 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.120 48.253 27.238 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.724 46.209 25.774 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.207 45.213 27.133 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.608 45.002 25.912 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.409 45.559 27.084 1.00 0.00 H new ATOM 998 N LYS A 63 33.012 49.752 26.278 1.00 0.00 N ATOM 999 CA LYS A 63 33.539 51.095 26.147 1.00 0.00 C ATOM 1000 C LYS A 63 34.333 51.611 27.348 1.00 0.00 C ATOM 1001 O LYS A 63 33.976 51.374 28.501 1.00 0.00 O ATOM 1002 CB LYS A 63 32.433 52.073 25.758 1.00 0.00 C ATOM 1003 CG LYS A 63 31.549 52.638 26.865 1.00 0.00 C ATOM 1004 CD LYS A 63 30.735 51.626 27.667 1.00 0.00 C ATOM 1005 CE LYS A 63 29.807 52.357 28.633 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.062 51.425 29.494 1.00 0.00 N ATOM 0 H LYS A 63 32.046 49.682 25.959 1.00 0.00 H new ATOM 0 HA LYS A 63 34.274 51.029 25.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.898 52.913 25.242 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.786 51.574 25.037 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.182 53.193 27.558 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.859 53.355 26.419 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.152 50.999 26.993 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.403 50.965 28.220 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.392 53.035 29.254 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.104 52.969 28.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.444 51.963 30.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.484 50.794 28.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.731 50.859 30.053 1.00 0.00 H new ATOM 1020 N GLU A 64 35.400 52.356 27.071 1.00 0.00 N ATOM 1021 CA GLU A 64 36.255 53.031 28.026 1.00 0.00 C ATOM 1022 C GLU A 64 37.010 52.132 29.008 1.00 0.00 C ATOM 1023 O GLU A 64 37.674 52.633 29.913 1.00 0.00 O ATOM 1024 CB GLU A 64 35.504 54.173 28.707 1.00 0.00 C ATOM 1025 CG GLU A 64 35.018 55.239 27.730 1.00 0.00 C ATOM 1026 CD GLU A 64 34.282 56.350 28.481 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.924 57.070 29.276 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.047 56.476 28.334 1.00 0.00 O ATOM 0 H GLU A 64 35.704 52.510 26.110 1.00 0.00 H new ATOM 0 HA GLU A 64 37.068 53.453 27.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.648 53.766 29.246 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.156 54.638 29.447 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.865 55.657 27.186 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.355 54.790 26.991 1.00 0.00 H new ATOM 1035 N SER A 65 36.962 50.816 28.822 1.00 0.00 N ATOM 1036 CA SER A 65 37.810 49.849 29.489 1.00 0.00 C ATOM 1037 C SER A 65 39.294 50.067 29.185 1.00 0.00 C ATOM 1038 O SER A 65 39.645 50.517 28.097 1.00 0.00 O ATOM 1039 CB SER A 65 37.457 48.426 29.069 1.00 0.00 C ATOM 1040 OG SER A 65 36.125 48.108 29.407 1.00 0.00 O ATOM 0 H SER A 65 36.303 50.383 28.175 1.00 0.00 H new ATOM 0 HA SER A 65 37.635 49.990 30.556 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.598 48.316 27.994 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.135 47.723 29.553 1.00 0.00 H new ATOM 0 HG SER A 65 35.522 48.441 28.710 1.00 0.00 H new ATOM 1046 N THR A 66 40.156 49.695 30.125 1.00 0.00 N ATOM 1047 CA THR A 66 41.597 49.781 29.991 1.00 0.00 C ATOM 1048 C THR A 66 42.236 48.391 29.974 1.00 0.00 C ATOM 1049 O THR A 66 42.004 47.587 30.874 1.00 0.00 O ATOM 1050 CB THR A 66 42.215 50.661 31.073 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.643 51.948 31.027 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.717 50.862 30.889 1.00 0.00 C ATOM 0 H THR A 66 39.859 49.316 31.024 1.00 0.00 H new ATOM 0 HA THR A 66 41.805 50.255 29.032 1.00 0.00 H new ATOM 0 HB THR A 66 42.026 50.149 32.016 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.042 52.508 31.725 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.100 51.496 31.689 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.220 49.895 30.920 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.905 51.338 29.927 1.00 0.00 H new ATOM 1060 N LEU A 67 43.053 48.113 28.961 1.00 0.00 N ATOM 1061 CA LEU A 67 43.817 46.897 28.762 1.00 0.00 C ATOM 1062 C LEU A 67 45.302 47.167 29.009 1.00 0.00 C ATOM 1063 O LEU A 67 45.742 48.313 28.985 1.00 0.00 O ATOM 1064 CB LEU A 67 43.600 46.375 27.344 1.00 0.00 C ATOM 1065 CG LEU A 67 42.238 45.797 26.969 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.085 46.796 27.002 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.327 45.244 25.550 1.00 0.00 C ATOM 0 H LEU A 67 43.205 48.783 28.207 1.00 0.00 H new ATOM 0 HA LEU A 67 43.478 46.141 29.470 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.811 47.194 26.656 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.347 45.603 27.159 1.00 0.00 H new ATOM 0 HG LEU A 67 42.017 45.038 27.719 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.160 46.293 26.721 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.986 47.204 28.008 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.285 47.606 26.300 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.363 44.825 25.262 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.594 46.047 24.863 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.088 44.464 25.510 1.00 0.00 H new ATOM 1079 N HIS A 68 46.094 46.115 29.206 1.00 0.00 N ATOM 1080 CA HIS A 68 47.520 46.192 29.448 1.00 0.00 C ATOM 1081 C HIS A 68 48.313 45.641 28.261 1.00 0.00 C ATOM 1082 O HIS A 68 47.922 44.634 27.675 1.00 0.00 O ATOM 1083 CB HIS A 68 47.842 45.449 30.741 1.00 0.00 C ATOM 1084 CG HIS A 68 47.011 45.851 31.928 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.476 44.970 32.868 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.624 47.126 32.246 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.772 45.721 33.718 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.844 47.019 33.381 1.00 0.00 N ATOM 0 H HIS A 68 45.742 45.158 29.200 1.00 0.00 H new ATOM 0 HA HIS A 68 47.816 47.235 29.558 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.712 44.380 30.570 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.893 45.608 30.982 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.878 48.032 31.716 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.219 45.337 34.563 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.400 47.792 33.877 1.00 0.00 H new ATOM 1096 N LEU A 69 49.431 46.278 27.924 1.00 0.00 N ATOM 1097 CA LEU A 69 50.309 45.912 26.832 1.00 0.00 C ATOM 1098 C LEU A 69 51.683 45.477 27.346 1.00 0.00 C ATOM 1099 O LEU A 69 52.263 46.164 28.184 1.00 0.00 O ATOM 1100 CB LEU A 69 50.437 47.113 25.899 1.00 0.00 C ATOM 1101 CG LEU A 69 51.051 46.818 24.533 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.060 46.113 23.610 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.453 48.120 23.848 1.00 0.00 C ATOM 0 H LEU A 69 49.759 47.100 28.432 1.00 0.00 H new ATOM 0 HA LEU A 69 49.887 45.063 26.294 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.446 47.542 25.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.041 47.873 26.394 1.00 0.00 H new ATOM 0 HG LEU A 69 51.915 46.176 24.707 1.00 0.00 H new ATOM 0 HD11 LEU A 69 50.533 45.920 22.647 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.753 45.169 24.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.185 46.747 23.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.890 47.899 22.874 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.572 48.749 23.716 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.184 48.644 24.463 1.00 0.00 H new ATOM 1115 N VAL A 70 52.234 44.386 26.821 1.00 0.00 N ATOM 1116 CA VAL A 70 53.576 43.921 27.113 1.00 0.00 C ATOM 1117 C VAL A 70 54.285 43.519 25.819 1.00 0.00 C ATOM 1118 O VAL A 70 53.739 42.753 25.027 1.00 0.00 O ATOM 1119 CB VAL A 70 53.567 42.778 28.125 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.978 42.309 28.468 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.889 43.174 29.433 1.00 0.00 C ATOM 0 H VAL A 70 51.739 43.786 26.161 1.00 0.00 H new ATOM 0 HA VAL A 70 54.131 44.741 27.569 1.00 0.00 H new ATOM 0 HB VAL A 70 53.010 41.974 27.644 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.925 41.495 29.191 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.475 41.959 27.563 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.543 43.138 28.895 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.906 42.330 30.122 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.420 44.016 29.877 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.856 43.460 29.235 1.00 0.00 H new ATOM 1131 N LEU A 71 55.498 44.016 25.595 1.00 0.00 N ATOM 1132 CA LEU A 71 56.287 43.730 24.414 1.00 0.00 C ATOM 1133 C LEU A 71 57.142 42.475 24.592 1.00 0.00 C ATOM 1134 O LEU A 71 57.874 42.357 25.572 1.00 0.00 O ATOM 1135 CB LEU A 71 57.128 44.956 24.071 1.00 0.00 C ATOM 1136 CG LEU A 71 57.691 44.950 22.653 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.638 45.390 21.639 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.867 45.916 22.544 1.00 0.00 C ATOM 0 H LEU A 71 55.966 44.643 26.249 1.00 0.00 H new ATOM 0 HA LEU A 71 55.619 43.517 23.579 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.519 45.850 24.204 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.955 45.025 24.778 1.00 0.00 H new ATOM 0 HG LEU A 71 58.009 43.929 22.439 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.069 45.376 20.638 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.788 44.709 21.678 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.304 46.400 21.876 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.258 45.900 21.527 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.533 46.924 22.789 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.651 45.614 23.238 1.00 0.00 H new ATOM 1150 N ARG A 72 57.081 41.556 23.632 1.00 0.00 N ATOM 1151 CA ARG A 72 57.882 40.350 23.563 1.00 0.00 C ATOM 1152 C ARG A 72 59.359 40.662 23.312 1.00 0.00 C ATOM 1153 O ARG A 72 59.702 41.734 22.817 1.00 0.00 O ATOM 1154 CB ARG A 72 57.308 39.399 22.517 1.00 0.00 C ATOM 1155 CG ARG A 72 55.912 38.877 22.848 1.00 0.00 C ATOM 1156 CD ARG A 72 55.442 37.860 21.813 1.00 0.00 C ATOM 1157 NE ARG A 72 54.183 37.210 22.181 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.967 37.397 21.648 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.723 38.286 20.676 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.931 36.662 22.074 1.00 0.00 N ATOM 0 H ARG A 72 56.438 41.642 22.845 1.00 0.00 H new ATOM 0 HA ARG A 72 57.838 39.852 24.531 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.274 39.911 21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.984 38.551 22.403 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.918 38.417 23.836 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.210 39.710 22.888 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.320 38.358 20.851 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.212 37.100 21.682 1.00 0.00 H new ATOM 0 HE ARG A 72 54.238 36.529 22.938 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.482 38.860 20.307 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.779 38.389 20.305 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.068 35.962 22.803 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.005 36.803 21.670 1.00 0.00 H new ATOM 1174 N LEU A 73 60.246 39.734 23.663 1.00 0.00 N ATOM 1175 CA LEU A 73 61.679 39.931 23.731 1.00 0.00 C ATOM 1176 C LEU A 73 62.426 39.573 22.444 1.00 0.00 C ATOM 1177 O LEU A 73 61.931 38.817 21.611 1.00 0.00 O ATOM 1178 CB LEU A 73 62.245 39.160 24.921 1.00 0.00 C ATOM 1179 CG LEU A 73 61.610 39.446 26.278 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.315 38.641 27.366 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.681 40.920 26.669 1.00 0.00 C ATOM 0 H LEU A 73 59.967 38.786 23.917 1.00 0.00 H new ATOM 0 HA LEU A 73 61.839 41.001 23.864 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.147 38.094 24.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.311 39.374 24.991 1.00 0.00 H new ATOM 0 HG LEU A 73 60.562 39.162 26.188 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.854 38.852 28.331 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.226 37.577 27.147 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.369 38.918 27.399 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.213 41.061 27.643 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.724 41.234 26.718 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.157 41.519 25.925 1.00 0.00 H new ATOM 1193 N ARG A 74 63.655 40.064 22.323 1.00 0.00 N ATOM 1194 CA ARG A 74 64.649 39.792 21.303 1.00 0.00 C ATOM 1195 C ARG A 74 64.230 40.094 19.862 1.00 0.00 C ATOM 1196 O ARG A 74 64.665 39.421 18.929 1.00 0.00 O ATOM 1197 CB ARG A 74 65.291 38.422 21.494 1.00 0.00 C ATOM 1198 CG ARG A 74 65.770 38.153 22.918 1.00 0.00 C ATOM 1199 CD ARG A 74 66.651 36.908 22.987 1.00 0.00 C ATOM 1200 NE ARG A 74 66.765 36.418 24.361 1.00 0.00 N ATOM 1201 CZ ARG A 74 67.295 35.248 24.740 1.00 0.00 C ATOM 1202 NH1 ARG A 74 68.052 34.493 23.930 1.00 0.00 N ATOM 1203 NH2 ARG A 74 67.067 34.767 25.969 1.00 0.00 N ATOM 0 H ARG A 74 64.011 40.729 23.009 1.00 0.00 H new ATOM 0 HA ARG A 74 65.429 40.536 21.466 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.572 37.653 21.212 1.00 0.00 H new ATOM 0 HB3 ARG A 74 66.138 38.331 20.814 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.327 39.015 23.284 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.909 38.028 23.575 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.232 36.127 22.353 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.642 37.138 22.596 1.00 0.00 H new ATOM 0 HE ARG A 74 66.407 37.024 25.099 1.00 0.00 H new ATOM 0 HH11 ARG A 74 68.247 34.803 22.978 1.00 0.00 H new ATOM 0 HH12 ARG A 74 68.433 33.609 24.266 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.487 35.292 26.623 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.474 33.875 26.251 1.00 0.00 H new ATOM 1217 N GLY A 75 63.394 41.110 19.666 1.00 0.00 N ATOM 1218 CA GLY A 75 62.935 41.620 18.391 1.00 0.00 C ATOM 1219 C GLY A 75 63.428 43.026 18.044 1.00 0.00 C ATOM 1220 O GLY A 75 62.826 43.687 17.200 1.00 0.00 O ATOM 0 H GLY A 75 62.997 41.628 20.450 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.255 40.935 17.606 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.845 41.622 18.388 1.00 0.00 H new ATOM 1224 N GLY A 76 64.479 43.510 18.698 1.00 0.00 N ATOM 1225 CA GLY A 76 64.966 44.874 18.650 1.00 0.00 C ATOM 1226 C GLY A 76 64.316 45.776 19.701 1.00 0.00 C ATOM 1227 O GLY A 76 63.688 46.786 19.316 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.446 45.464 20.905 1.00 0.00 O ATOM 0 H GLY A 76 65.043 42.921 19.311 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.046 44.874 18.796 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.779 45.287 17.659 1.00 0.00 H new TER 1232 GLY A 76