USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 7 THR OG1 : rot 180:sc= 0.527 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00129 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.0909 (180deg=-0.0925) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.15 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.19) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.298 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00103 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= 1.18 (180deg=0.524) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.701 K(o=-0.7,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 0.166 K(o=0.17,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.16 USER MOD Single : A 57 SER OG : rot -32:sc= 0.0905 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.307 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00635) USER MOD Single : A 65 SER OG : rot 70: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=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.545 44.148 -12.720 1.00 0.00 N ATOM 2 CA MET A 1 -5.135 44.619 -11.464 1.00 0.00 C ATOM 3 C MET A 1 -4.003 44.985 -10.462 1.00 0.00 C ATOM 4 O MET A 1 -2.880 44.483 -10.599 1.00 0.00 O ATOM 5 CB MET A 1 -6.190 43.544 -10.914 1.00 0.00 C ATOM 6 CG MET A 1 -5.499 42.386 -10.048 1.00 0.00 C ATOM 7 SD MET A 1 -6.597 41.155 -9.251 1.00 0.00 S ATOM 8 CE MET A 1 -5.364 40.198 -8.224 1.00 0.00 C ATOM 0 H1 MET A 1 -5.302 43.856 -13.371 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.993 44.915 -13.153 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.921 43.338 -12.528 1.00 0.00 H new ATOM 0 HA MET A 1 -5.706 45.534 -11.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.936 44.053 -10.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.719 43.096 -11.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.807 41.849 -10.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.903 42.860 -9.268 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.878 39.398 -7.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.603 39.769 -8.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.891 40.868 -7.506 1.00 0.00 H new ATOM 18 N GLN A 2 -4.296 45.861 -9.427 1.00 0.00 N ATOM 19 CA GLN A 2 -3.328 46.372 -8.434 1.00 0.00 C ATOM 20 C GLN A 2 -3.423 45.801 -6.988 1.00 0.00 C ATOM 21 O GLN A 2 -4.446 45.906 -6.321 1.00 0.00 O ATOM 22 CB GLN A 2 -3.598 47.878 -8.291 1.00 0.00 C ATOM 23 CG GLN A 2 -3.442 48.652 -9.630 1.00 0.00 C ATOM 24 CD GLN A 2 -2.038 48.439 -10.226 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.047 48.672 -9.519 1.00 0.00 O ATOM 26 NE2 GLN A 2 -1.858 48.304 -11.498 1.00 0.00 N ATOM 0 H GLN A 2 -5.237 46.224 -9.278 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.351 46.079 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.608 48.026 -7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.913 48.296 -7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.198 48.316 -10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.613 49.715 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.653 48.112 -12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.921 48.390 -11.892 1.00 0.00 H new ATOM 35 N ILE A 3 -2.300 45.238 -6.481 1.00 0.00 N ATOM 36 CA ILE A 3 -2.251 44.709 -5.131 1.00 0.00 C ATOM 37 C ILE A 3 -1.078 45.413 -4.442 1.00 0.00 C ATOM 38 O ILE A 3 -0.092 45.787 -5.080 1.00 0.00 O ATOM 39 CB ILE A 3 -2.209 43.166 -5.016 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.965 42.479 -5.627 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.508 42.653 -5.742 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.223 42.434 -4.647 1.00 0.00 C ATOM 0 H ILE A 3 -1.426 45.147 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.193 44.923 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.154 42.908 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.224 41.463 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.667 43.011 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.543 41.564 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.388 43.065 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.494 42.974 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.070 41.942 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.503 43.450 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.063 41.878 -3.754 1.00 0.00 H new ATOM 54 N PHE A 4 -1.215 45.524 -3.125 1.00 0.00 N ATOM 55 CA PHE A 4 -0.251 46.218 -2.296 1.00 0.00 C ATOM 56 C PHE A 4 0.557 45.218 -1.548 1.00 0.00 C ATOM 57 O PHE A 4 0.090 44.149 -1.113 1.00 0.00 O ATOM 58 CB PHE A 4 -0.927 47.194 -1.260 1.00 0.00 C ATOM 59 CG PHE A 4 -1.658 48.315 -1.995 1.00 0.00 C ATOM 60 CD1 PHE A 4 -3.049 48.446 -1.916 1.00 0.00 C ATOM 61 CD2 PHE A 4 -0.991 49.179 -2.907 1.00 0.00 C ATOM 62 CE1 PHE A 4 -3.704 49.508 -2.566 1.00 0.00 C ATOM 63 CE2 PHE A 4 -1.664 50.226 -3.521 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.017 50.341 -3.387 1.00 0.00 C ATOM 0 H PHE A 4 -2.001 45.132 -2.606 1.00 0.00 H new ATOM 0 HA PHE A 4 0.371 46.818 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.627 46.643 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.170 47.615 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.624 47.727 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.054 49.018 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.762 49.661 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.116 50.950 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.546 51.103 -3.940 1.00 0.00 H new ATOM 74 N VAL A 5 1.869 45.473 -1.457 1.00 0.00 N ATOM 75 CA VAL A 5 2.768 44.707 -0.611 1.00 0.00 C ATOM 76 C VAL A 5 3.361 45.659 0.429 1.00 0.00 C ATOM 77 O VAL A 5 3.956 46.678 0.116 1.00 0.00 O ATOM 78 CB VAL A 5 3.804 43.904 -1.447 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.774 43.196 -0.439 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.072 42.845 -2.299 1.00 0.00 C ATOM 0 H VAL A 5 2.330 46.222 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 5 2.232 43.928 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 5 4.358 44.564 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.517 42.621 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.276 43.947 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.204 42.527 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.799 42.283 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.529 42.164 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.370 43.340 -2.970 1.00 0.00 H new ATOM 90 N LYS A 6 3.104 45.313 1.727 1.00 0.00 N ATOM 91 CA LYS A 6 3.647 46.060 2.897 1.00 0.00 C ATOM 92 C LYS A 6 4.857 45.430 3.441 1.00 0.00 C ATOM 93 O LYS A 6 4.792 44.320 3.930 1.00 0.00 O ATOM 94 CB LYS A 6 2.545 46.265 4.072 1.00 0.00 C ATOM 95 CG LYS A 6 2.937 46.987 5.396 1.00 0.00 C ATOM 96 CD LYS A 6 3.434 48.464 5.256 1.00 0.00 C ATOM 97 CE LYS A 6 3.182 49.296 6.562 1.00 0.00 C ATOM 98 NZ LYS A 6 3.354 50.783 6.350 1.00 0.00 N ATOM 0 H LYS A 6 2.521 44.517 1.986 1.00 0.00 H new ATOM 0 HA LYS A 6 3.916 47.046 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.709 46.815 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.171 45.277 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.073 46.978 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.720 46.407 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.499 48.468 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.924 48.940 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.173 49.099 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.870 48.962 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.879 51.300 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.367 51.019 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.935 51.054 5.438 1.00 0.00 H new ATOM 112 N THR A 7 6.075 46.124 3.277 1.00 0.00 N ATOM 113 CA THR A 7 7.353 45.587 3.656 1.00 0.00 C ATOM 114 C THR A 7 7.535 45.413 5.145 1.00 0.00 C ATOM 115 O THR A 7 6.810 45.993 5.918 1.00 0.00 O ATOM 116 CB THR A 7 8.599 46.340 3.026 1.00 0.00 C ATOM 117 OG1 THR A 7 8.955 47.585 3.654 1.00 0.00 O ATOM 118 CG2 THR A 7 8.272 46.511 1.491 1.00 0.00 C ATOM 0 H THR A 7 6.130 47.060 2.876 1.00 0.00 H new ATOM 0 HA THR A 7 7.330 44.591 3.214 1.00 0.00 H new ATOM 0 HB THR A 7 9.494 45.741 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.732 47.971 3.198 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.097 47.026 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.134 45.530 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.359 47.096 1.376 1.00 0.00 H new ATOM 126 N LEU A 8 8.546 44.591 5.576 1.00 0.00 N ATOM 127 CA LEU A 8 8.827 44.345 6.977 1.00 0.00 C ATOM 128 C LEU A 8 9.313 45.556 7.833 1.00 0.00 C ATOM 129 O LEU A 8 8.780 45.699 8.934 1.00 0.00 O ATOM 130 CB LEU A 8 9.861 43.176 6.955 1.00 0.00 C ATOM 131 CG LEU A 8 10.308 42.780 8.367 1.00 0.00 C ATOM 132 CD1 LEU A 8 9.148 42.072 9.154 1.00 0.00 C ATOM 133 CD2 LEU A 8 11.427 41.734 8.163 1.00 0.00 C ATOM 0 H LEU A 8 9.171 44.095 4.940 1.00 0.00 H new ATOM 0 HA LEU A 8 7.896 44.110 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.421 42.312 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.731 43.472 6.369 1.00 0.00 H new ATOM 0 HG LEU A 8 10.619 43.662 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.496 41.803 10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.298 42.749 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.844 41.171 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.797 41.403 9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.030 40.879 7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.244 42.181 7.596 1.00 0.00 H new ATOM 145 N THR A 9 10.163 46.450 7.279 1.00 0.00 N ATOM 146 CA THR A 9 10.464 47.729 7.913 1.00 0.00 C ATOM 147 C THR A 9 9.397 48.802 7.725 1.00 0.00 C ATOM 148 O THR A 9 9.392 49.736 8.508 1.00 0.00 O ATOM 149 CB THR A 9 11.817 48.268 7.445 1.00 0.00 C ATOM 150 OG1 THR A 9 11.879 48.270 5.998 1.00 0.00 O ATOM 151 CG2 THR A 9 12.945 47.392 8.097 1.00 0.00 C ATOM 0 H THR A 9 10.647 46.298 6.394 1.00 0.00 H new ATOM 0 HA THR A 9 10.491 47.507 8.980 1.00 0.00 H new ATOM 0 HB THR A 9 11.957 49.302 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.748 48.618 5.708 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.921 47.758 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.872 47.454 9.183 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.827 46.355 7.784 1.00 0.00 H new ATOM 159 N GLY A 10 8.463 48.608 6.776 1.00 0.00 N ATOM 160 CA GLY A 10 7.161 49.277 6.802 1.00 0.00 C ATOM 161 C GLY A 10 6.787 50.202 5.658 1.00 0.00 C ATOM 162 O GLY A 10 6.010 51.130 5.883 1.00 0.00 O ATOM 0 H GLY A 10 8.593 47.987 5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.395 48.504 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.106 49.855 7.724 1.00 0.00 H new ATOM 166 N LYS A 11 7.334 49.953 4.456 1.00 0.00 N ATOM 167 CA LYS A 11 6.999 50.717 3.270 1.00 0.00 C ATOM 168 C LYS A 11 5.841 49.986 2.548 1.00 0.00 C ATOM 169 O LYS A 11 5.639 48.811 2.764 1.00 0.00 O ATOM 170 CB LYS A 11 8.192 50.647 2.277 1.00 0.00 C ATOM 171 CG LYS A 11 9.538 51.230 2.778 1.00 0.00 C ATOM 172 CD LYS A 11 9.437 52.799 2.715 1.00 0.00 C ATOM 173 CE LYS A 11 10.548 53.504 3.529 1.00 0.00 C ATOM 174 NZ LYS A 11 10.140 54.955 3.685 1.00 0.00 N ATOM 0 H LYS A 11 8.019 49.215 4.293 1.00 0.00 H new ATOM 0 HA LYS A 11 6.753 51.741 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.351 49.603 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.909 51.173 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.741 50.901 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.362 50.875 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.495 53.121 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.463 53.111 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.669 53.032 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.507 53.427 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.866 55.463 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.043 55.391 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.231 55.008 4.187 1.00 0.00 H new ATOM 188 N THR A 12 5.099 50.695 1.700 1.00 0.00 N ATOM 189 CA THR A 12 4.129 50.069 0.786 1.00 0.00 C ATOM 190 C THR A 12 4.776 50.097 -0.620 1.00 0.00 C ATOM 191 O THR A 12 5.183 51.145 -1.098 1.00 0.00 O ATOM 192 CB THR A 12 2.772 50.862 0.806 1.00 0.00 C ATOM 193 OG1 THR A 12 2.259 50.764 2.146 1.00 0.00 O ATOM 194 CG2 THR A 12 1.788 50.188 -0.269 1.00 0.00 C ATOM 0 H THR A 12 5.147 51.711 1.622 1.00 0.00 H new ATOM 0 HA THR A 12 3.899 49.046 1.083 1.00 0.00 H new ATOM 0 HB THR A 12 2.885 51.913 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.409 51.248 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.837 50.720 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.240 50.241 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.618 49.145 -0.003 1.00 0.00 H new ATOM 202 N ILE A 13 4.779 48.916 -1.310 1.00 0.00 N ATOM 203 CA ILE A 13 4.981 48.903 -2.800 1.00 0.00 C ATOM 204 C ILE A 13 3.725 48.341 -3.507 1.00 0.00 C ATOM 205 O ILE A 13 3.050 47.455 -3.028 1.00 0.00 O ATOM 206 CB ILE A 13 6.197 48.088 -3.380 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.063 46.577 -2.991 1.00 0.00 C ATOM 208 CG2 ILE A 13 7.522 48.773 -2.870 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.273 45.661 -3.450 1.00 0.00 C ATOM 0 H ILE A 13 4.650 47.998 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 13 5.191 49.954 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 13 6.217 48.103 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.960 46.503 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.144 46.185 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.384 48.230 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.556 49.805 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.543 48.759 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.091 44.633 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.366 45.698 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.195 46.021 -2.994 1.00 0.00 H new ATOM 221 N THR A 14 3.442 48.903 -4.711 1.00 0.00 N ATOM 222 CA THR A 14 2.221 48.549 -5.513 1.00 0.00 C ATOM 223 C THR A 14 2.629 47.782 -6.771 1.00 0.00 C ATOM 224 O THR A 14 3.384 48.275 -7.582 1.00 0.00 O ATOM 225 CB THR A 14 1.489 49.844 -5.976 1.00 0.00 C ATOM 226 OG1 THR A 14 1.394 50.795 -4.899 1.00 0.00 O ATOM 227 CG2 THR A 14 0.083 49.523 -6.608 1.00 0.00 C ATOM 0 H THR A 14 4.036 49.603 -5.155 1.00 0.00 H new ATOM 0 HA THR A 14 1.568 47.943 -4.884 1.00 0.00 H new ATOM 0 HB THR A 14 2.087 50.302 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.709 50.501 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.397 50.451 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.213 48.874 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.542 49.021 -5.869 1.00 0.00 H new ATOM 235 N LEU A 15 2.072 46.551 -6.930 1.00 0.00 N ATOM 236 CA LEU A 15 2.439 45.661 -8.007 1.00 0.00 C ATOM 237 C LEU A 15 1.244 45.416 -8.878 1.00 0.00 C ATOM 238 O LEU A 15 0.190 45.011 -8.416 1.00 0.00 O ATOM 239 CB LEU A 15 2.867 44.256 -7.425 1.00 0.00 C ATOM 240 CG LEU A 15 3.859 44.403 -6.281 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.362 43.050 -5.803 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.196 45.162 -6.606 1.00 0.00 C ATOM 0 H LEU A 15 1.361 46.172 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 15 3.256 46.118 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.984 43.722 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.311 43.653 -8.217 1.00 0.00 H new ATOM 0 HG LEU A 15 3.267 44.966 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.069 43.193 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.520 42.451 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.858 42.535 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.819 45.201 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.730 44.636 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.968 46.176 -6.934 1.00 0.00 H new ATOM 254 N GLU A 16 1.470 45.526 -10.215 1.00 0.00 N ATOM 255 CA GLU A 16 0.487 45.213 -11.183 1.00 0.00 C ATOM 256 C GLU A 16 0.526 43.721 -11.525 1.00 0.00 C ATOM 257 O GLU A 16 1.502 43.215 -12.083 1.00 0.00 O ATOM 258 CB GLU A 16 0.828 46.050 -12.492 1.00 0.00 C ATOM 259 CG GLU A 16 -0.369 45.912 -13.455 1.00 0.00 C ATOM 260 CD GLU A 16 -0.309 47.012 -14.570 1.00 0.00 C ATOM 261 OE1 GLU A 16 0.595 46.961 -15.413 1.00 0.00 O ATOM 262 OE2 GLU A 16 -1.168 47.912 -14.549 1.00 0.00 O ATOM 0 H GLU A 16 2.356 45.839 -10.611 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.504 45.454 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.001 47.097 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.740 45.678 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.363 44.922 -13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.302 46.001 -12.899 1.00 0.00 H new ATOM 269 N VAL A 17 -0.559 43.017 -11.151 1.00 0.00 N ATOM 270 CA VAL A 17 -0.684 41.552 -11.252 1.00 0.00 C ATOM 271 C VAL A 17 -1.954 41.116 -11.964 1.00 0.00 C ATOM 272 O VAL A 17 -2.881 41.903 -12.174 1.00 0.00 O ATOM 273 CB VAL A 17 -0.687 40.909 -9.826 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.644 41.301 -9.156 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.958 41.434 -9.050 1.00 0.00 C ATOM 0 H VAL A 17 -1.391 43.461 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 17 0.173 41.215 -11.835 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.753 39.821 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.687 40.873 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.476 40.921 -9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.712 42.387 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.981 40.998 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.913 42.520 -8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.859 41.147 -9.592 1.00 0.00 H new ATOM 285 N GLU A 18 -2.042 39.788 -12.224 1.00 0.00 N ATOM 286 CA GLU A 18 -3.249 39.183 -12.792 1.00 0.00 C ATOM 287 C GLU A 18 -3.857 38.195 -11.731 1.00 0.00 C ATOM 288 O GLU A 18 -3.124 37.669 -10.893 1.00 0.00 O ATOM 289 CB GLU A 18 -2.893 38.356 -14.045 1.00 0.00 C ATOM 290 CG GLU A 18 -2.679 39.312 -15.298 1.00 0.00 C ATOM 291 CD GLU A 18 -2.035 38.630 -16.507 1.00 0.00 C ATOM 292 OE1 GLU A 18 -2.576 38.792 -17.624 1.00 0.00 O ATOM 293 OE2 GLU A 18 -0.986 38.044 -16.314 1.00 0.00 O ATOM 0 H GLU A 18 -1.287 39.126 -12.046 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.952 39.973 -13.056 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.987 37.778 -13.862 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.689 37.642 -14.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.644 39.721 -15.597 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.056 40.154 -14.996 1.00 0.00 H new ATOM 300 N PRO A 19 -5.108 37.868 -11.806 1.00 0.00 N ATOM 301 CA PRO A 19 -5.704 36.838 -10.863 1.00 0.00 C ATOM 302 C PRO A 19 -5.035 35.451 -10.921 1.00 0.00 C ATOM 303 O PRO A 19 -4.838 34.863 -9.873 1.00 0.00 O ATOM 304 CB PRO A 19 -7.152 36.736 -11.417 1.00 0.00 C ATOM 305 CG PRO A 19 -7.439 38.145 -11.805 1.00 0.00 C ATOM 306 CD PRO A 19 -6.174 38.616 -12.559 1.00 0.00 C ATOM 0 HA PRO A 19 -5.596 37.133 -9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.216 36.058 -12.268 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.851 36.370 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.323 38.208 -12.439 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.630 38.765 -10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.199 38.350 -13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.038 39.696 -12.505 1.00 0.00 H new ATOM 314 N SER A 20 -4.581 35.118 -12.121 1.00 0.00 N ATOM 315 CA SER A 20 -3.826 33.867 -12.419 1.00 0.00 C ATOM 316 C SER A 20 -2.331 33.894 -12.091 1.00 0.00 C ATOM 317 O SER A 20 -1.683 32.860 -12.341 1.00 0.00 O ATOM 318 CB SER A 20 -4.033 33.529 -13.884 1.00 0.00 C ATOM 319 OG SER A 20 -3.685 34.669 -14.723 1.00 0.00 O ATOM 0 H SER A 20 -4.719 35.707 -12.942 1.00 0.00 H new ATOM 0 HA SER A 20 -4.229 33.103 -11.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.420 32.669 -14.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.072 33.247 -14.055 1.00 0.00 H new ATOM 0 HG SER A 20 -3.822 34.436 -15.665 1.00 0.00 H new ATOM 325 N ASP A 21 -1.795 34.986 -11.565 1.00 0.00 N ATOM 326 CA ASP A 21 -0.406 35.044 -11.108 1.00 0.00 C ATOM 327 C ASP A 21 -0.214 34.276 -9.774 1.00 0.00 C ATOM 328 O ASP A 21 -0.945 34.362 -8.810 1.00 0.00 O ATOM 329 CB ASP A 21 0.047 36.510 -11.002 1.00 0.00 C ATOM 330 CG ASP A 21 0.299 37.218 -12.361 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.365 36.613 -13.459 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.505 38.433 -12.284 1.00 0.00 O ATOM 0 H ASP A 21 -2.307 35.859 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 21 0.226 34.546 -11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.710 37.070 -10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.963 36.550 -10.413 1.00 0.00 H new ATOM 337 N THR A 22 0.809 33.437 -9.775 1.00 0.00 N ATOM 338 CA THR A 22 1.218 32.664 -8.622 1.00 0.00 C ATOM 339 C THR A 22 1.942 33.576 -7.655 1.00 0.00 C ATOM 340 O THR A 22 2.496 34.597 -8.012 1.00 0.00 O ATOM 341 CB THR A 22 2.056 31.433 -9.037 1.00 0.00 C ATOM 342 OG1 THR A 22 3.103 31.719 -10.022 1.00 0.00 O ATOM 343 CG2 THR A 22 1.023 30.489 -9.758 1.00 0.00 C ATOM 0 H THR A 22 1.389 33.273 -10.598 1.00 0.00 H new ATOM 0 HA THR A 22 0.342 32.260 -8.116 1.00 0.00 H new ATOM 0 HB THR A 22 2.552 31.031 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.589 30.894 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.529 29.583 -10.090 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.225 30.225 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.599 31.004 -10.620 1.00 0.00 H new ATOM 351 N ILE A 23 1.864 33.100 -6.433 1.00 0.00 N ATOM 352 CA ILE A 23 2.576 33.713 -5.305 1.00 0.00 C ATOM 353 C ILE A 23 4.082 33.762 -5.554 1.00 0.00 C ATOM 354 O ILE A 23 4.694 34.816 -5.266 1.00 0.00 O ATOM 355 CB ILE A 23 2.085 33.008 -4.017 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.640 33.434 -3.755 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.065 33.380 -2.827 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.358 34.988 -3.491 1.00 0.00 C ATOM 0 H ILE A 23 1.311 32.281 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 23 2.345 34.771 -5.180 1.00 0.00 H new ATOM 0 HB ILE A 23 2.096 31.923 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.039 33.125 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.277 32.876 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.730 32.889 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.074 33.047 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.065 34.460 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.708 35.141 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.916 35.315 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.674 35.568 -4.358 1.00 0.00 H new ATOM 370 N GLU A 24 4.549 32.716 -6.215 1.00 0.00 N ATOM 371 CA GLU A 24 5.886 32.654 -6.840 1.00 0.00 C ATOM 372 C GLU A 24 6.189 33.888 -7.750 1.00 0.00 C ATOM 373 O GLU A 24 7.207 34.607 -7.653 1.00 0.00 O ATOM 374 CB GLU A 24 5.913 31.274 -7.626 1.00 0.00 C ATOM 375 CG GLU A 24 7.311 31.035 -8.313 1.00 0.00 C ATOM 376 CD GLU A 24 7.409 29.552 -8.676 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.834 28.829 -7.785 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.003 29.168 -9.776 1.00 0.00 O ATOM 0 H GLU A 24 4.008 31.861 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 24 6.679 32.697 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.699 30.456 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.128 31.268 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.408 31.653 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.120 31.317 -7.640 1.00 0.00 H new ATOM 385 N ASN A 25 5.231 34.268 -8.574 1.00 0.00 N ATOM 386 CA ASN A 25 5.439 35.314 -9.605 1.00 0.00 C ATOM 387 C ASN A 25 5.226 36.717 -8.973 1.00 0.00 C ATOM 388 O ASN A 25 5.952 37.624 -9.339 1.00 0.00 O ATOM 389 CB ASN A 25 4.638 35.003 -10.925 1.00 0.00 C ATOM 390 CG ASN A 25 4.816 36.224 -11.914 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.940 37.134 -12.118 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.966 36.211 -12.491 1.00 0.00 N ATOM 0 H ASN A 25 4.289 33.876 -8.563 1.00 0.00 H new ATOM 0 HA ASN A 25 6.472 35.313 -9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.005 34.086 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.583 34.847 -10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.216 36.951 -13.147 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.628 35.461 -12.292 1.00 0.00 H new ATOM 399 N VAL A 26 4.341 36.869 -7.947 1.00 0.00 N ATOM 400 CA VAL A 26 4.293 38.123 -7.092 1.00 0.00 C ATOM 401 C VAL A 26 5.647 38.361 -6.315 1.00 0.00 C ATOM 402 O VAL A 26 5.981 39.500 -5.949 1.00 0.00 O ATOM 403 CB VAL A 26 3.111 38.135 -6.081 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.052 39.510 -5.346 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.786 38.021 -6.873 1.00 0.00 C ATOM 0 H VAL A 26 3.656 36.160 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 26 4.135 38.938 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 26 3.248 37.316 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.222 39.510 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.986 39.675 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.908 40.307 -6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.946 38.028 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.698 38.864 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.780 37.090 -7.441 1.00 0.00 H new ATOM 415 N LYS A 27 6.305 37.274 -5.902 1.00 0.00 N ATOM 416 CA LYS A 27 7.668 37.372 -5.295 1.00 0.00 C ATOM 417 C LYS A 27 8.698 37.842 -6.317 1.00 0.00 C ATOM 418 O LYS A 27 9.627 38.577 -5.961 1.00 0.00 O ATOM 419 CB LYS A 27 8.160 36.075 -4.699 1.00 0.00 C ATOM 420 CG LYS A 27 7.413 35.628 -3.374 1.00 0.00 C ATOM 421 CD LYS A 27 8.092 34.328 -2.909 1.00 0.00 C ATOM 422 CE LYS A 27 7.425 33.785 -1.523 1.00 0.00 C ATOM 423 NZ LYS A 27 7.971 32.385 -1.257 1.00 0.00 N ATOM 0 H LYS A 27 5.938 36.325 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 27 7.562 38.100 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.054 35.286 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.225 36.170 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.486 36.400 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.352 35.466 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.999 33.567 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.158 34.503 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.667 34.452 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.338 33.761 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.233 31.680 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.794 32.211 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.258 32.308 -0.260 1.00 0.00 H new ATOM 437 N ALA A 28 8.540 37.441 -7.554 1.00 0.00 N ATOM 438 CA ALA A 28 9.390 37.956 -8.657 1.00 0.00 C ATOM 439 C ALA A 28 9.195 39.490 -8.901 1.00 0.00 C ATOM 440 O ALA A 28 10.209 40.206 -9.068 1.00 0.00 O ATOM 441 CB ALA A 28 9.195 37.116 -9.917 1.00 0.00 C ATOM 0 H ALA A 28 7.838 36.761 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 28 10.432 37.851 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.825 37.507 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.470 36.082 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.150 37.159 -10.225 1.00 0.00 H new ATOM 447 N LYS A 29 7.926 39.948 -8.844 1.00 0.00 N ATOM 448 CA LYS A 29 7.579 41.395 -8.780 1.00 0.00 C ATOM 449 C LYS A 29 8.129 42.144 -7.557 1.00 0.00 C ATOM 450 O LYS A 29 8.624 43.259 -7.739 1.00 0.00 O ATOM 451 CB LYS A 29 6.082 41.568 -8.836 1.00 0.00 C ATOM 452 CG LYS A 29 5.438 41.009 -10.172 1.00 0.00 C ATOM 453 CD LYS A 29 5.742 41.853 -11.381 1.00 0.00 C ATOM 454 CE LYS A 29 5.078 41.153 -12.626 1.00 0.00 C ATOM 455 NZ LYS A 29 5.477 41.895 -13.814 1.00 0.00 N ATOM 0 H LYS A 29 7.112 39.333 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 29 8.065 41.842 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.632 41.060 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.841 42.627 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.800 39.996 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.357 40.944 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.349 42.862 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.819 41.946 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.400 40.114 -12.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.993 41.144 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.053 41.456 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.150 42.879 -13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.513 41.881 -13.901 1.00 0.00 H new ATOM 469 N ILE A 30 8.161 41.535 -6.337 1.00 0.00 N ATOM 470 CA ILE A 30 8.924 42.097 -5.255 1.00 0.00 C ATOM 471 C ILE A 30 10.407 42.174 -5.601 1.00 0.00 C ATOM 472 O ILE A 30 11.026 43.210 -5.315 1.00 0.00 O ATOM 473 CB ILE A 30 8.662 41.278 -3.957 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.174 41.565 -3.495 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.631 41.842 -2.860 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.615 40.482 -2.496 1.00 0.00 C ATOM 0 H ILE A 30 7.667 40.672 -6.110 1.00 0.00 H new ATOM 0 HA ILE A 30 8.600 43.123 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 30 8.815 40.210 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.130 42.545 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.529 41.607 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.483 41.296 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.663 41.723 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.422 42.899 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.592 40.737 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.628 39.503 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.238 40.456 -1.602 1.00 0.00 H new ATOM 488 N GLN A 31 11.047 41.150 -6.224 1.00 0.00 N ATOM 489 CA GLN A 31 12.472 41.231 -6.628 1.00 0.00 C ATOM 490 C GLN A 31 12.721 42.430 -7.570 1.00 0.00 C ATOM 491 O GLN A 31 13.626 43.230 -7.314 1.00 0.00 O ATOM 492 CB GLN A 31 12.891 39.849 -7.259 1.00 0.00 C ATOM 493 CG GLN A 31 14.388 39.838 -7.688 1.00 0.00 C ATOM 494 CD GLN A 31 14.790 38.491 -8.299 1.00 0.00 C ATOM 495 OE1 GLN A 31 14.028 38.063 -9.182 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.051 37.988 -8.137 1.00 0.00 N ATOM 0 H GLN A 31 10.599 40.263 -6.456 1.00 0.00 H new ATOM 0 HA GLN A 31 13.102 41.414 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.714 39.052 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.263 39.640 -8.125 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.566 40.634 -8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.017 40.048 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.657 38.357 -7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.386 37.244 -8.749 1.00 0.00 H new ATOM 505 N ASP A 32 11.813 42.605 -8.534 1.00 0.00 N ATOM 506 CA ASP A 32 11.888 43.794 -9.426 1.00 0.00 C ATOM 507 C ASP A 32 11.952 45.148 -8.750 1.00 0.00 C ATOM 508 O ASP A 32 12.970 45.809 -8.850 1.00 0.00 O ATOM 509 CB ASP A 32 10.671 43.854 -10.435 1.00 0.00 C ATOM 510 CG ASP A 32 10.960 42.880 -11.556 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.031 42.593 -12.297 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.092 42.380 -11.692 1.00 0.00 O ATOM 0 H ASP A 32 11.038 41.970 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 32 12.842 43.631 -9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.741 43.592 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.547 44.864 -10.827 1.00 0.00 H new ATOM 517 N LYS A 33 10.910 45.495 -7.993 1.00 0.00 N ATOM 518 CA LYS A 33 10.775 46.738 -7.224 1.00 0.00 C ATOM 519 C LYS A 33 11.868 46.861 -6.132 1.00 0.00 C ATOM 520 O LYS A 33 12.492 47.908 -6.066 1.00 0.00 O ATOM 521 CB LYS A 33 9.358 46.722 -6.505 1.00 0.00 C ATOM 522 CG LYS A 33 8.076 46.734 -7.406 1.00 0.00 C ATOM 523 CD LYS A 33 7.974 47.975 -8.325 1.00 0.00 C ATOM 524 CE LYS A 33 6.555 48.150 -8.925 1.00 0.00 C ATOM 525 NZ LYS A 33 6.559 49.379 -9.775 1.00 0.00 N ATOM 0 H LYS A 33 10.096 44.888 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 33 10.877 47.579 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.314 45.835 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.309 47.587 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.067 45.835 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.193 46.692 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.238 48.867 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.699 47.886 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.282 47.277 -9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.814 48.239 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.615 49.518 -10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.805 50.204 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.259 49.272 -10.537 1.00 0.00 H new ATOM 539 N GLU A 34 12.074 45.841 -5.285 1.00 0.00 N ATOM 540 CA GLU A 34 12.925 46.017 -4.066 1.00 0.00 C ATOM 541 C GLU A 34 14.404 45.539 -4.101 1.00 0.00 C ATOM 542 O GLU A 34 15.205 45.764 -3.198 1.00 0.00 O ATOM 543 CB GLU A 34 12.234 45.275 -2.911 1.00 0.00 C ATOM 544 CG GLU A 34 10.952 46.048 -2.434 1.00 0.00 C ATOM 545 CD GLU A 34 11.334 47.312 -1.540 1.00 0.00 C ATOM 546 OE1 GLU A 34 10.924 48.432 -1.852 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.996 47.109 -0.519 1.00 0.00 O ATOM 0 H GLU A 34 11.682 44.906 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 34 13.005 47.099 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.959 44.270 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.928 45.165 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.378 46.374 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.312 45.376 -1.862 1.00 0.00 H new ATOM 554 N GLY A 35 14.777 44.784 -5.099 1.00 0.00 N ATOM 555 CA GLY A 35 16.101 44.112 -5.192 1.00 0.00 C ATOM 556 C GLY A 35 16.278 42.887 -4.269 1.00 0.00 C ATOM 557 O GLY A 35 17.346 42.515 -3.949 1.00 0.00 O ATOM 0 H GLY A 35 14.176 44.598 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.260 43.797 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.878 44.840 -4.958 1.00 0.00 H new ATOM 561 N ILE A 36 15.219 42.252 -3.817 1.00 0.00 N ATOM 562 CA ILE A 36 15.343 41.088 -2.895 1.00 0.00 C ATOM 563 C ILE A 36 15.170 39.740 -3.693 1.00 0.00 C ATOM 564 O ILE A 36 14.110 39.560 -4.236 1.00 0.00 O ATOM 565 CB ILE A 36 14.256 41.053 -1.790 1.00 0.00 C ATOM 566 CG1 ILE A 36 14.195 42.324 -0.875 1.00 0.00 C ATOM 567 CG2 ILE A 36 14.696 39.898 -0.819 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.721 42.553 -0.397 1.00 0.00 C ATOM 0 H ILE A 36 14.259 42.501 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 36 16.328 41.195 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 36 13.293 40.952 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.852 42.198 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.551 43.197 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.974 39.810 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.740 38.958 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.680 40.124 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.678 43.437 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.076 42.698 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.382 41.684 0.166 1.00 0.00 H new ATOM 580 N PRO A 37 16.118 38.803 -3.775 1.00 0.00 N ATOM 581 CA PRO A 37 15.762 37.400 -4.323 1.00 0.00 C ATOM 582 C PRO A 37 14.467 36.703 -3.765 1.00 0.00 C ATOM 583 O PRO A 37 14.293 36.702 -2.565 1.00 0.00 O ATOM 584 CB PRO A 37 16.988 36.547 -3.820 1.00 0.00 C ATOM 585 CG PRO A 37 18.154 37.539 -3.863 1.00 0.00 C ATOM 586 CD PRO A 37 17.439 38.871 -3.232 1.00 0.00 C ATOM 0 HA PRO A 37 15.570 37.481 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.824 36.163 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.169 35.686 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.004 37.205 -3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.519 37.706 -4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.431 38.849 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.953 39.786 -3.528 1.00 0.00 H new ATOM 594 N PRO A 38 13.584 36.072 -4.570 1.00 0.00 N ATOM 595 CA PRO A 38 12.371 35.409 -4.045 1.00 0.00 C ATOM 596 C PRO A 38 12.566 34.442 -2.884 1.00 0.00 C ATOM 597 O PRO A 38 11.693 34.341 -2.055 1.00 0.00 O ATOM 598 CB PRO A 38 11.706 34.694 -5.260 1.00 0.00 C ATOM 599 CG PRO A 38 12.089 35.558 -6.401 1.00 0.00 C ATOM 600 CD PRO A 38 13.521 36.093 -6.021 1.00 0.00 C ATOM 0 HA PRO A 38 11.746 36.182 -3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.076 33.676 -5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.624 34.629 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.109 34.997 -7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.381 36.376 -6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.300 35.465 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.675 37.102 -6.404 1.00 0.00 H new ATOM 608 N ASP A 39 13.687 33.761 -3.000 1.00 0.00 N ATOM 609 CA ASP A 39 14.265 32.748 -2.033 1.00 0.00 C ATOM 610 C ASP A 39 14.244 33.248 -0.613 1.00 0.00 C ATOM 611 O ASP A 39 13.957 32.436 0.263 1.00 0.00 O ATOM 612 CB ASP A 39 15.752 32.344 -2.414 1.00 0.00 C ATOM 613 CG ASP A 39 15.954 31.950 -3.895 1.00 0.00 C ATOM 614 OD1 ASP A 39 17.077 31.515 -4.114 1.00 0.00 O ATOM 615 OD2 ASP A 39 15.053 32.022 -4.776 1.00 0.00 O ATOM 0 H ASP A 39 14.288 33.882 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 39 13.627 31.868 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.412 33.179 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.060 31.509 -1.785 1.00 0.00 H new ATOM 620 N GLN A 40 14.527 34.533 -0.396 1.00 0.00 N ATOM 621 CA GLN A 40 14.647 35.118 0.945 1.00 0.00 C ATOM 622 C GLN A 40 13.373 35.798 1.376 1.00 0.00 C ATOM 623 O GLN A 40 13.379 36.439 2.414 1.00 0.00 O ATOM 624 CB GLN A 40 15.884 36.095 0.962 1.00 0.00 C ATOM 625 CG GLN A 40 17.307 35.400 0.836 1.00 0.00 C ATOM 626 CD GLN A 40 17.232 33.918 1.254 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.285 33.051 0.370 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.391 33.579 2.536 1.00 0.00 N ATOM 0 H GLN A 40 14.681 35.204 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 40 14.815 34.324 1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.773 36.807 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.860 36.668 1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.664 35.475 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 40 18.029 35.923 1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.347 34.294 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.556 32.605 2.789 1.00 0.00 H new ATOM 637 N GLN A 41 12.254 35.658 0.621 1.00 0.00 N ATOM 638 CA GLN A 41 10.970 36.259 0.920 1.00 0.00 C ATOM 639 C GLN A 41 9.968 35.170 1.447 1.00 0.00 C ATOM 640 O GLN A 41 9.829 34.097 0.863 1.00 0.00 O ATOM 641 CB GLN A 41 10.304 36.905 -0.312 1.00 0.00 C ATOM 642 CG GLN A 41 11.178 38.049 -0.920 1.00 0.00 C ATOM 643 CD GLN A 41 10.502 38.498 -2.208 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.260 38.680 -2.143 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.169 38.807 -3.350 1.00 0.00 N ATOM 0 H GLN A 41 12.241 35.103 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 41 11.174 37.027 1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.128 36.142 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.330 37.305 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.263 38.881 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.189 37.695 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.177 38.661 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.662 39.185 -4.150 1.00 0.00 H new ATOM 654 N ARG A 42 9.164 35.508 2.490 1.00 0.00 N ATOM 655 CA ARG A 42 7.924 34.810 2.880 1.00 0.00 C ATOM 656 C ARG A 42 6.795 35.859 2.917 1.00 0.00 C ATOM 657 O ARG A 42 7.011 37.019 3.277 1.00 0.00 O ATOM 658 CB ARG A 42 8.163 34.114 4.180 1.00 0.00 C ATOM 659 CG ARG A 42 6.907 33.901 5.125 1.00 0.00 C ATOM 660 CD ARG A 42 7.325 33.225 6.446 1.00 0.00 C ATOM 661 NE ARG A 42 7.799 31.898 6.129 1.00 0.00 N ATOM 662 CZ ARG A 42 8.895 31.296 6.638 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.816 31.776 7.372 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.126 30.049 6.295 1.00 0.00 N ATOM 0 H ARG A 42 9.374 36.300 3.098 1.00 0.00 H new ATOM 0 HA ARG A 42 7.623 34.038 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.596 33.137 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.912 34.680 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.437 34.862 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.163 33.287 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.106 33.802 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.481 33.176 7.134 1.00 0.00 H new ATOM 0 HE ARG A 42 7.252 31.363 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.784 32.755 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.587 31.182 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.487 29.567 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.945 29.563 6.661 1.00 0.00 H new ATOM 678 N LEU A 43 5.631 35.485 2.382 1.00 0.00 N ATOM 679 CA LEU A 43 4.515 36.444 2.289 1.00 0.00 C ATOM 680 C LEU A 43 3.375 36.021 3.209 1.00 0.00 C ATOM 681 O LEU A 43 3.051 34.827 3.251 1.00 0.00 O ATOM 682 CB LEU A 43 3.899 36.539 0.867 1.00 0.00 C ATOM 683 CG LEU A 43 4.989 36.889 -0.171 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.383 37.069 -1.612 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.796 38.168 0.152 1.00 0.00 C ATOM 0 H LEU A 43 5.433 34.554 2.015 1.00 0.00 H new ATOM 0 HA LEU A 43 4.945 37.406 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.428 35.592 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.117 37.298 0.853 1.00 0.00 H new ATOM 0 HG LEU A 43 5.667 36.037 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.180 37.314 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.899 36.143 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.649 37.875 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.538 38.337 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.120 39.022 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.300 38.048 1.111 1.00 0.00 H new ATOM 697 N ILE A 44 2.751 37.022 3.876 1.00 0.00 N ATOM 698 CA ILE A 44 1.555 36.823 4.677 1.00 0.00 C ATOM 699 C ILE A 44 0.299 37.578 4.108 1.00 0.00 C ATOM 700 O ILE A 44 0.452 38.628 3.483 1.00 0.00 O ATOM 701 CB ILE A 44 1.912 37.459 6.052 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.193 36.888 6.710 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.754 37.286 7.040 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.253 35.309 6.858 1.00 0.00 C ATOM 0 H ILE A 44 3.078 37.988 3.863 1.00 0.00 H new ATOM 0 HA ILE A 44 1.294 35.765 4.708 1.00 0.00 H new ATOM 0 HB ILE A 44 2.099 38.510 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.054 37.211 6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.297 37.330 7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.021 37.737 7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.137 37.774 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.553 36.224 7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.193 35.023 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.420 34.969 7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.188 34.848 5.872 1.00 0.00 H new ATOM 716 N PHE A 45 -0.911 36.978 4.321 1.00 0.00 N ATOM 717 CA PHE A 45 -2.240 37.656 4.260 1.00 0.00 C ATOM 718 C PHE A 45 -3.204 37.144 5.359 1.00 0.00 C ATOM 719 O PHE A 45 -3.385 35.943 5.551 1.00 0.00 O ATOM 720 CB PHE A 45 -2.912 37.328 2.899 1.00 0.00 C ATOM 721 CG PHE A 45 -4.192 38.053 2.572 1.00 0.00 C ATOM 722 CD1 PHE A 45 -5.394 37.360 2.360 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.146 39.451 2.484 1.00 0.00 C ATOM 724 CE1 PHE A 45 -6.548 38.103 2.065 1.00 0.00 C ATOM 725 CE2 PHE A 45 -5.297 40.192 2.150 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.482 39.495 1.929 1.00 0.00 C ATOM 0 H PHE A 45 -0.989 35.986 4.545 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.063 38.723 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.193 37.538 2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.113 36.257 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.430 36.282 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.217 39.967 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.494 37.597 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.261 41.268 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.370 40.040 1.646 1.00 0.00 H new ATOM 736 N ALA A 46 -3.791 38.090 6.062 1.00 0.00 N ATOM 737 CA ALA A 46 -4.739 37.781 7.173 1.00 0.00 C ATOM 738 C ALA A 46 -4.047 36.837 8.246 1.00 0.00 C ATOM 739 O ALA A 46 -4.667 35.928 8.805 1.00 0.00 O ATOM 740 CB ALA A 46 -6.068 37.180 6.643 1.00 0.00 C ATOM 0 H ALA A 46 -3.645 39.087 5.903 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.998 38.717 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.732 36.969 7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.547 37.892 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.860 36.256 6.103 1.00 0.00 H new ATOM 746 N GLY A 47 -2.786 37.072 8.546 1.00 0.00 N ATOM 747 CA GLY A 47 -2.025 36.231 9.535 1.00 0.00 C ATOM 748 C GLY A 47 -1.667 34.807 9.048 1.00 0.00 C ATOM 749 O GLY A 47 -1.172 33.966 9.835 1.00 0.00 O ATOM 0 H GLY A 47 -2.240 37.830 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.103 36.751 9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.615 36.148 10.448 1.00 0.00 H new ATOM 753 N LYS A 48 -1.814 34.574 7.724 1.00 0.00 N ATOM 754 CA LYS A 48 -1.599 33.230 7.135 1.00 0.00 C ATOM 755 C LYS A 48 -0.529 33.263 6.022 1.00 0.00 C ATOM 756 O LYS A 48 -0.603 34.107 5.126 1.00 0.00 O ATOM 757 CB LYS A 48 -2.937 32.675 6.529 1.00 0.00 C ATOM 758 CG LYS A 48 -4.054 32.482 7.600 1.00 0.00 C ATOM 759 CD LYS A 48 -5.294 31.842 6.873 1.00 0.00 C ATOM 760 CE LYS A 48 -6.304 31.101 7.887 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.034 32.105 8.729 1.00 0.00 N ATOM 0 H LYS A 48 -2.078 35.291 7.048 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.254 32.580 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.293 33.360 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.740 31.721 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.706 31.836 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.324 33.437 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.834 32.621 6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.943 31.126 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.019 30.501 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.748 30.416 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.680 31.611 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.349 32.659 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.580 32.742 8.114 1.00 0.00 H new ATOM 775 N GLN A 49 0.507 32.388 6.071 1.00 0.00 N ATOM 776 CA GLN A 49 1.536 32.439 5.006 1.00 0.00 C ATOM 777 C GLN A 49 1.040 31.835 3.664 1.00 0.00 C ATOM 778 O GLN A 49 0.191 30.922 3.678 1.00 0.00 O ATOM 779 CB GLN A 49 2.889 31.788 5.447 1.00 0.00 C ATOM 780 CG GLN A 49 2.784 30.204 5.552 1.00 0.00 C ATOM 781 CD GLN A 49 4.161 29.549 5.567 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.416 28.641 4.729 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.026 29.868 6.445 1.00 0.00 N ATOM 0 H GLN A 49 0.649 31.679 6.791 1.00 0.00 H new ATOM 0 HA GLN A 49 1.724 33.499 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.668 32.053 4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.190 32.196 6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.242 29.934 6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.207 29.821 4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.819 30.602 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.926 29.389 6.471 1.00 0.00 H new ATOM 792 N LEU A 50 1.616 32.292 2.532 1.00 0.00 N ATOM 793 CA LEU A 50 1.180 31.836 1.173 1.00 0.00 C ATOM 794 C LEU A 50 2.201 30.938 0.502 1.00 0.00 C ATOM 795 O LEU A 50 3.405 31.219 0.480 1.00 0.00 O ATOM 796 CB LEU A 50 0.838 33.047 0.265 1.00 0.00 C ATOM 797 CG LEU A 50 -0.151 34.067 0.859 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.550 35.182 -0.164 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.481 33.436 1.472 1.00 0.00 C ATOM 0 H LEU A 50 2.378 32.970 2.520 1.00 0.00 H new ATOM 0 HA LEU A 50 0.279 31.240 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.764 33.567 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.425 32.671 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 50 0.412 34.503 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.249 35.874 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.342 35.724 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.022 34.726 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.114 34.232 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.020 32.896 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.220 32.749 2.277 1.00 0.00 H new ATOM 811 N GLU A 51 1.701 29.734 0.057 1.00 0.00 N ATOM 812 CA GLU A 51 2.437 28.785 -0.786 1.00 0.00 C ATOM 813 C GLU A 51 2.626 29.279 -2.212 1.00 0.00 C ATOM 814 O GLU A 51 1.707 29.779 -2.848 1.00 0.00 O ATOM 815 CB GLU A 51 1.582 27.482 -0.812 1.00 0.00 C ATOM 816 CG GLU A 51 1.645 26.558 0.428 1.00 0.00 C ATOM 817 CD GLU A 51 0.655 25.407 0.240 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.093 25.110 1.185 1.00 0.00 O ATOM 819 OE2 GLU A 51 0.639 24.885 -0.873 1.00 0.00 O ATOM 0 H GLU A 51 0.761 29.413 0.290 1.00 0.00 H new ATOM 0 HA GLU A 51 3.436 28.639 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.541 27.766 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.885 26.899 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.655 26.169 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.402 27.120 1.330 1.00 0.00 H new ATOM 826 N ASP A 52 3.886 29.104 -2.696 1.00 0.00 N ATOM 827 CA ASP A 52 4.413 29.639 -3.942 1.00 0.00 C ATOM 828 C ASP A 52 3.635 29.204 -5.180 1.00 0.00 C ATOM 829 O ASP A 52 3.463 29.984 -6.078 1.00 0.00 O ATOM 830 CB ASP A 52 5.896 29.226 -4.137 1.00 0.00 C ATOM 831 CG ASP A 52 6.779 29.671 -2.975 1.00 0.00 C ATOM 832 OD1 ASP A 52 7.886 29.172 -3.012 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.382 30.524 -2.174 1.00 0.00 O ATOM 0 H ASP A 52 4.581 28.556 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 52 4.315 30.720 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.958 28.143 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.273 29.660 -5.063 1.00 0.00 H new ATOM 838 N GLY A 53 3.096 28.007 -5.147 1.00 0.00 N ATOM 839 CA GLY A 53 2.458 27.352 -6.293 1.00 0.00 C ATOM 840 C GLY A 53 0.996 27.798 -6.460 1.00 0.00 C ATOM 841 O GLY A 53 0.360 27.528 -7.434 1.00 0.00 O ATOM 0 H GLY A 53 3.083 27.435 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.015 27.583 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.496 26.271 -6.162 1.00 0.00 H new ATOM 845 N ARG A 54 0.431 28.515 -5.465 1.00 0.00 N ATOM 846 CA ARG A 54 -0.956 28.901 -5.432 1.00 0.00 C ATOM 847 C ARG A 54 -1.154 30.241 -6.123 1.00 0.00 C ATOM 848 O ARG A 54 -0.248 31.062 -6.022 1.00 0.00 O ATOM 849 CB ARG A 54 -1.326 29.057 -3.952 1.00 0.00 C ATOM 850 CG ARG A 54 -0.970 27.836 -3.056 1.00 0.00 C ATOM 851 CD ARG A 54 -1.803 26.542 -3.488 1.00 0.00 C ATOM 852 NE ARG A 54 -1.584 25.549 -2.343 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.451 24.623 -1.912 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.654 24.606 -2.356 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.114 23.868 -0.865 1.00 0.00 N ATOM 0 H ARG A 54 0.957 28.839 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.571 28.158 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.821 29.939 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.397 29.244 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.097 27.626 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.177 28.074 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.860 26.774 -3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.448 26.139 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.687 25.597 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.955 25.300 -3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.310 23.899 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.211 24.002 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.759 23.157 -0.520 1.00 0.00 H new ATOM 869 N THR A 55 -2.256 30.470 -6.887 1.00 0.00 N ATOM 870 CA THR A 55 -2.451 31.810 -7.421 1.00 0.00 C ATOM 871 C THR A 55 -3.094 32.843 -6.456 1.00 0.00 C ATOM 872 O THR A 55 -3.529 32.570 -5.352 1.00 0.00 O ATOM 873 CB THR A 55 -3.357 31.841 -8.652 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.660 31.394 -8.319 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.657 30.963 -9.693 1.00 0.00 C ATOM 0 H THR A 55 -2.971 29.782 -7.126 1.00 0.00 H new ATOM 0 HA THR A 55 -1.419 32.088 -7.637 1.00 0.00 H new ATOM 0 HB THR A 55 -3.501 32.845 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.624 30.452 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.251 30.938 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.672 31.374 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.549 29.951 -9.302 1.00 0.00 H new ATOM 883 N LEU A 56 -3.117 34.111 -6.927 1.00 0.00 N ATOM 884 CA LEU A 56 -3.886 35.213 -6.279 1.00 0.00 C ATOM 885 C LEU A 56 -5.395 34.888 -6.201 1.00 0.00 C ATOM 886 O LEU A 56 -6.027 35.309 -5.233 1.00 0.00 O ATOM 887 CB LEU A 56 -3.705 36.573 -7.036 1.00 0.00 C ATOM 888 CG LEU A 56 -2.294 37.208 -6.808 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.161 38.526 -7.629 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.996 37.529 -5.286 1.00 0.00 C ATOM 0 H LEU A 56 -2.608 34.404 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.484 35.307 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.859 36.413 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.472 37.273 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.568 36.466 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.175 38.960 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.288 38.308 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.927 39.233 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.002 37.967 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.739 38.232 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.041 36.608 -4.704 1.00 0.00 H new ATOM 902 N SER A 57 -5.929 34.090 -7.128 1.00 0.00 N ATOM 903 CA SER A 57 -7.380 33.690 -7.203 1.00 0.00 C ATOM 904 C SER A 57 -7.621 32.386 -6.431 1.00 0.00 C ATOM 905 O SER A 57 -8.754 32.021 -6.232 1.00 0.00 O ATOM 906 CB SER A 57 -7.864 33.638 -8.682 1.00 0.00 C ATOM 907 OG SER A 57 -9.293 33.442 -8.818 1.00 0.00 O ATOM 0 H SER A 57 -5.370 33.681 -7.877 1.00 0.00 H new ATOM 0 HA SER A 57 -7.989 34.450 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.584 34.566 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.344 32.830 -9.197 1.00 0.00 H new ATOM 0 HG SER A 57 -9.621 32.899 -8.071 1.00 0.00 H new ATOM 913 N ASP A 58 -6.559 31.720 -5.941 1.00 0.00 N ATOM 914 CA ASP A 58 -6.693 30.613 -4.973 1.00 0.00 C ATOM 915 C ASP A 58 -6.557 31.000 -3.543 1.00 0.00 C ATOM 916 O ASP A 58 -6.977 30.220 -2.684 1.00 0.00 O ATOM 917 CB ASP A 58 -5.535 29.622 -5.232 1.00 0.00 C ATOM 918 CG ASP A 58 -5.829 28.898 -6.563 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.118 29.001 -7.550 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.817 28.169 -6.572 1.00 0.00 O ATOM 0 H ASP A 58 -5.595 31.930 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.697 30.215 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.583 30.151 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.455 28.904 -4.415 1.00 0.00 H new ATOM 925 N TYR A 59 -6.080 32.177 -3.241 1.00 0.00 N ATOM 926 CA TYR A 59 -6.314 32.738 -1.929 1.00 0.00 C ATOM 927 C TYR A 59 -7.391 33.746 -1.972 1.00 0.00 C ATOM 928 O TYR A 59 -7.606 34.333 -0.930 1.00 0.00 O ATOM 929 CB TYR A 59 -4.980 33.351 -1.477 1.00 0.00 C ATOM 930 CG TYR A 59 -4.001 32.226 -1.237 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.707 32.189 -1.787 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.329 31.406 -0.171 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.790 31.186 -1.341 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.477 30.397 0.220 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.169 30.303 -0.287 1.00 0.00 C ATOM 936 OH TYR A 59 -1.327 29.372 0.309 1.00 0.00 O ATOM 0 H TYR A 59 -5.534 32.763 -3.872 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.644 31.975 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.598 34.032 -2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.119 33.935 -0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.410 32.908 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.259 31.558 0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.816 31.098 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.821 29.662 0.932 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.816 28.887 1.006 1.00 0.00 H new ATOM 946 N ASN A 60 -8.106 33.947 -3.094 1.00 0.00 N ATOM 947 CA ASN A 60 -9.074 34.963 -3.273 1.00 0.00 C ATOM 948 C ASN A 60 -8.651 36.420 -2.980 1.00 0.00 C ATOM 949 O ASN A 60 -9.413 37.203 -2.412 1.00 0.00 O ATOM 950 CB ASN A 60 -10.346 34.597 -2.467 1.00 0.00 C ATOM 951 CG ASN A 60 -10.926 33.228 -2.924 1.00 0.00 C ATOM 952 OD1 ASN A 60 -10.850 32.874 -4.107 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.510 32.408 -2.081 1.00 0.00 N ATOM 0 H ASN A 60 -7.994 33.360 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.250 34.978 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.108 34.557 -1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.098 35.375 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.881 31.517 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.593 32.662 -1.097 1.00 0.00 H new ATOM 960 N ILE A 61 -7.518 36.777 -3.532 1.00 0.00 N ATOM 961 CA ILE A 61 -6.961 38.122 -3.386 1.00 0.00 C ATOM 962 C ILE A 61 -7.598 38.927 -4.573 1.00 0.00 C ATOM 963 O ILE A 61 -7.364 38.634 -5.737 1.00 0.00 O ATOM 964 CB ILE A 61 -5.420 38.085 -3.520 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.523 37.082 -2.605 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.944 39.540 -3.198 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.949 36.934 -1.094 1.00 0.00 C ATOM 0 H ILE A 61 -6.946 36.151 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.177 38.566 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.255 37.689 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.543 36.093 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.489 37.426 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.858 39.592 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.391 40.235 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.251 39.808 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.275 36.240 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.898 37.907 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.969 36.553 -1.039 1.00 0.00 H new ATOM 979 N GLN A 62 -8.465 39.953 -4.328 1.00 0.00 N ATOM 980 CA GLN A 62 -8.926 40.957 -5.299 1.00 0.00 C ATOM 981 C GLN A 62 -8.108 42.247 -5.076 1.00 0.00 C ATOM 982 O GLN A 62 -7.455 42.382 -4.085 1.00 0.00 O ATOM 983 CB GLN A 62 -10.444 41.365 -4.928 1.00 0.00 C ATOM 984 CG GLN A 62 -11.331 40.136 -4.784 1.00 0.00 C ATOM 985 CD GLN A 62 -11.633 39.379 -6.038 1.00 0.00 C ATOM 986 OE1 GLN A 62 -11.102 38.214 -6.310 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.922 39.984 -7.180 1.00 0.00 N ATOM 0 H GLN A 62 -8.872 40.097 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.832 40.560 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.453 41.933 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.847 42.017 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.856 39.453 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.276 40.448 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.347 40.911 -7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.720 39.523 -8.067 1.00 0.00 H new ATOM 996 N LYS A 63 -8.103 43.185 -6.071 1.00 0.00 N ATOM 997 CA LYS A 63 -7.271 44.409 -6.030 1.00 0.00 C ATOM 998 C LYS A 63 -7.452 45.214 -4.778 1.00 0.00 C ATOM 999 O LYS A 63 -8.514 45.178 -4.142 1.00 0.00 O ATOM 1000 CB LYS A 63 -7.485 45.354 -7.266 1.00 0.00 C ATOM 1001 CG LYS A 63 -8.785 46.252 -7.208 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.005 45.330 -7.317 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.369 46.154 -7.341 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.476 47.150 -8.441 1.00 0.00 N ATOM 0 H LYS A 63 -8.673 43.107 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.253 44.021 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.616 46.006 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.524 44.743 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.816 46.817 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.783 46.978 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.927 44.730 -8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.014 44.637 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.200 45.453 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.481 46.672 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.406 47.614 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.728 47.865 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.369 46.669 -9.357 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.404 45.985 -4.487 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.320 46.806 -3.302 1.00 0.00 C ATOM 1020 C GLU A 64 -5.969 46.078 -2.010 1.00 0.00 C ATOM 1021 O GLU A 64 -5.929 46.695 -0.957 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.541 47.787 -3.179 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.337 48.882 -4.266 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.574 49.832 -4.346 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.442 50.999 -3.945 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.625 49.440 -4.871 1.00 0.00 O ATOM 0 H GLU A 64 -5.581 46.050 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.435 47.423 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.481 47.258 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.584 48.231 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.443 49.462 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.173 48.411 -5.235 1.00 0.00 H new ATOM 1033 N SER A 65 -5.732 44.751 -2.108 1.00 0.00 N ATOM 1034 CA SER A 65 -5.393 43.944 -0.988 1.00 0.00 C ATOM 1035 C SER A 65 -3.918 44.041 -0.565 1.00 0.00 C ATOM 1036 O SER A 65 -3.025 44.089 -1.431 1.00 0.00 O ATOM 1037 CB SER A 65 -5.686 42.405 -1.246 1.00 0.00 C ATOM 1038 OG SER A 65 -7.062 42.147 -1.544 1.00 0.00 O ATOM 0 H SER A 65 -5.779 44.237 -2.988 1.00 0.00 H new ATOM 0 HA SER A 65 -6.024 44.342 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.068 42.055 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.395 41.831 -0.366 1.00 0.00 H new ATOM 0 HG SER A 65 -7.278 42.508 -2.429 1.00 0.00 H new ATOM 1044 N THR A 66 -3.752 44.109 0.777 1.00 0.00 N ATOM 1045 CA THR A 66 -2.414 44.131 1.387 1.00 0.00 C ATOM 1046 C THR A 66 -2.063 42.685 1.738 1.00 0.00 C ATOM 1047 O THR A 66 -2.520 42.124 2.749 1.00 0.00 O ATOM 1048 CB THR A 66 -2.188 44.916 2.701 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.507 46.262 2.531 1.00 0.00 O ATOM 1050 CG2 THR A 66 -0.658 44.939 3.024 1.00 0.00 C ATOM 0 H THR A 66 -4.521 44.149 1.445 1.00 0.00 H new ATOM 0 HA THR A 66 -1.811 44.643 0.637 1.00 0.00 H new ATOM 0 HB THR A 66 -2.795 44.440 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.360 46.742 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.490 45.491 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.295 43.918 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.121 45.425 2.209 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.061 42.237 0.948 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.258 41.067 1.232 1.00 0.00 C ATOM 1060 C LEU A 67 0.995 41.664 1.971 1.00 0.00 C ATOM 1061 O LEU A 67 1.317 42.807 1.755 1.00 0.00 O ATOM 1062 CB LEU A 67 0.160 40.343 -0.076 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.963 40.025 -1.130 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -0.273 39.128 -2.189 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.183 39.341 -0.425 1.00 0.00 C ATOM 0 H LEU A 67 -0.797 42.703 0.080 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.788 40.319 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.918 40.952 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.636 39.402 0.200 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.378 40.913 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.992 38.861 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.559 39.670 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.099 38.222 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.955 39.125 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.858 38.412 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.585 40.010 0.336 1.00 0.00 H new ATOM 1077 N HIS A 68 1.633 40.956 2.912 1.00 0.00 N ATOM 1078 CA HIS A 68 2.704 41.489 3.812 1.00 0.00 C ATOM 1079 C HIS A 68 3.972 40.711 3.611 1.00 0.00 C ATOM 1080 O HIS A 68 3.898 39.488 3.578 1.00 0.00 O ATOM 1081 CB HIS A 68 2.162 41.277 5.284 1.00 0.00 C ATOM 1082 CG HIS A 68 1.368 42.407 5.835 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.045 42.640 5.576 1.00 0.00 N ATOM 1084 CD2 HIS A 68 1.670 43.299 6.866 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -0.399 43.618 6.475 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.574 44.031 7.285 1.00 0.00 N ATOM 0 H HIS A 68 1.426 39.972 3.085 1.00 0.00 H new ATOM 0 HA HIS A 68 2.926 42.537 3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.545 40.378 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.010 41.094 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.657 43.406 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.411 43.993 6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.523 44.721 8.034 1.00 0.00 H new ATOM 1094 N LEU A 69 5.118 41.405 3.441 1.00 0.00 N ATOM 1095 CA LEU A 69 6.396 40.743 3.179 1.00 0.00 C ATOM 1096 C LEU A 69 7.260 40.587 4.451 1.00 0.00 C ATOM 1097 O LEU A 69 7.490 41.535 5.201 1.00 0.00 O ATOM 1098 CB LEU A 69 7.149 41.634 2.067 1.00 0.00 C ATOM 1099 CG LEU A 69 8.664 41.447 1.923 1.00 0.00 C ATOM 1100 CD1 LEU A 69 9.079 39.970 1.538 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.064 42.494 0.767 1.00 0.00 C ATOM 0 H LEU A 69 5.175 42.423 3.482 1.00 0.00 H new ATOM 0 HA LEU A 69 6.224 39.725 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.690 41.425 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.959 42.684 2.290 1.00 0.00 H new ATOM 0 HG LEU A 69 9.183 41.623 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.164 39.908 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.736 39.282 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.624 39.701 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.137 42.441 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.527 42.247 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.799 43.503 1.083 1.00 0.00 H new ATOM 1113 N VAL A 70 7.753 39.356 4.672 1.00 0.00 N ATOM 1114 CA VAL A 70 8.621 39.005 5.787 1.00 0.00 C ATOM 1115 C VAL A 70 9.892 38.469 5.172 1.00 0.00 C ATOM 1116 O VAL A 70 9.917 37.537 4.361 1.00 0.00 O ATOM 1117 CB VAL A 70 8.011 37.851 6.613 1.00 0.00 C ATOM 1118 CG1 VAL A 70 9.096 37.367 7.676 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.649 38.288 7.239 1.00 0.00 C ATOM 0 H VAL A 70 7.548 38.566 4.060 1.00 0.00 H new ATOM 0 HA VAL A 70 8.772 39.872 6.430 1.00 0.00 H new ATOM 0 HB VAL A 70 7.771 36.995 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.684 36.551 8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.988 37.021 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.358 38.197 8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.233 37.463 7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.807 39.146 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.954 38.561 6.445 1.00 0.00 H new ATOM 1129 N LEU A 71 11.032 38.973 5.696 1.00 0.00 N ATOM 1130 CA LEU A 71 12.315 38.543 5.199 1.00 0.00 C ATOM 1131 C LEU A 71 12.831 37.414 6.050 1.00 0.00 C ATOM 1132 O LEU A 71 12.632 37.461 7.240 1.00 0.00 O ATOM 1133 CB LEU A 71 13.378 39.711 5.071 1.00 0.00 C ATOM 1134 CG LEU A 71 12.862 40.829 4.143 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.785 42.123 4.128 1.00 0.00 C ATOM 1136 CD2 LEU A 71 12.709 40.395 2.664 1.00 0.00 C ATOM 0 H LEU A 71 11.069 39.663 6.447 1.00 0.00 H new ATOM 0 HA LEU A 71 12.163 38.192 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.592 40.122 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.315 39.314 4.681 1.00 0.00 H new ATOM 0 HG LEU A 71 11.888 41.057 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.359 42.866 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.845 42.538 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.784 41.853 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.342 41.235 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.676 40.075 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.001 39.569 2.599 1.00 0.00 H new ATOM 1148 N ARG A 72 13.441 36.417 5.401 1.00 0.00 N ATOM 1149 CA ARG A 72 13.809 35.136 6.046 1.00 0.00 C ATOM 1150 C ARG A 72 15.300 35.156 6.312 1.00 0.00 C ATOM 1151 O ARG A 72 16.064 35.549 5.448 1.00 0.00 O ATOM 1152 CB ARG A 72 13.643 33.929 5.085 1.00 0.00 C ATOM 1153 CG ARG A 72 12.118 33.729 4.587 1.00 0.00 C ATOM 1154 CD ARG A 72 11.938 32.531 3.567 1.00 0.00 C ATOM 1155 NE ARG A 72 12.505 31.335 4.149 1.00 0.00 N ATOM 1156 CZ ARG A 72 13.392 30.548 3.573 1.00 0.00 C ATOM 1157 NH1 ARG A 72 14.002 30.724 2.461 1.00 0.00 N ATOM 1158 NH2 ARG A 72 13.606 29.474 4.209 1.00 0.00 N ATOM 0 H ARG A 72 13.697 36.467 4.415 1.00 0.00 H new ATOM 0 HA ARG A 72 13.178 35.035 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.288 34.070 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.978 33.022 5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.481 33.556 5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.774 34.650 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.882 32.379 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.431 32.762 2.623 1.00 0.00 H new ATOM 0 HE ARG A 72 12.192 31.078 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.820 31.560 1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.670 30.028 2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.109 29.290 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.276 28.793 3.850 1.00 0.00 H new ATOM 1172 N LEU A 73 15.713 34.740 7.465 1.00 0.00 N ATOM 1173 CA LEU A 73 17.189 34.797 7.794 1.00 0.00 C ATOM 1174 C LEU A 73 17.664 33.467 8.217 1.00 0.00 C ATOM 1175 O LEU A 73 18.773 33.068 7.888 1.00 0.00 O ATOM 1176 CB LEU A 73 17.340 35.864 8.849 1.00 0.00 C ATOM 1177 CG LEU A 73 18.704 36.063 9.539 1.00 0.00 C ATOM 1178 CD1 LEU A 73 19.822 36.604 8.587 1.00 0.00 C ATOM 1179 CD2 LEU A 73 18.521 37.153 10.667 1.00 0.00 C ATOM 0 H LEU A 73 15.115 34.363 8.200 1.00 0.00 H new ATOM 0 HA LEU A 73 17.807 35.057 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.063 36.815 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.607 35.658 9.629 1.00 0.00 H new ATOM 0 HG LEU A 73 19.013 35.085 9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.751 36.718 9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.974 35.901 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.520 37.571 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.472 37.315 11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.185 38.088 10.219 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.780 36.809 11.388 1.00 0.00 H new ATOM 1191 N ARG A 74 16.758 32.798 8.927 1.00 0.00 N ATOM 1192 CA ARG A 74 17.027 31.482 9.466 1.00 0.00 C ATOM 1193 C ARG A 74 16.560 30.402 8.471 1.00 0.00 C ATOM 1194 O ARG A 74 15.942 30.730 7.464 1.00 0.00 O ATOM 1195 CB ARG A 74 16.227 31.212 10.792 1.00 0.00 C ATOM 1196 CG ARG A 74 16.406 32.263 11.935 1.00 0.00 C ATOM 1197 CD ARG A 74 17.904 32.348 12.426 1.00 0.00 C ATOM 1198 NE ARG A 74 18.090 33.649 13.083 1.00 0.00 N ATOM 1199 CZ ARG A 74 19.282 34.142 13.260 1.00 0.00 C ATOM 1200 NH1 ARG A 74 20.417 33.572 12.926 1.00 0.00 N ATOM 1201 NH2 ARG A 74 19.355 35.341 13.820 1.00 0.00 N ATOM 0 H ARG A 74 15.827 33.156 9.139 1.00 0.00 H new ATOM 0 HA ARG A 74 18.100 31.443 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 74 15.167 31.152 10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.521 30.235 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 74 16.083 33.242 11.582 1.00 0.00 H new ATOM 0 HG3 ARG A 74 15.763 31.999 12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.125 31.536 13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.588 32.244 11.584 1.00 0.00 H new ATOM 0 HE ARG A 74 17.276 34.172 13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.415 32.654 12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.300 34.048 13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.502 35.831 14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 74 20.264 35.774 13.982 1.00 0.00 H new ATOM 1215 N GLY A 75 16.928 29.141 8.716 1.00 0.00 N ATOM 1216 CA GLY A 75 16.245 28.071 7.960 1.00 0.00 C ATOM 1217 C GLY A 75 14.735 28.161 8.221 1.00 0.00 C ATOM 1218 O GLY A 75 14.305 28.590 9.287 1.00 0.00 O ATOM 0 H GLY A 75 17.642 28.842 9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.450 28.173 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.622 27.095 8.265 1.00 0.00 H new ATOM 1222 N GLY A 76 13.951 27.734 7.230 1.00 0.00 N ATOM 1223 CA GLY A 76 12.525 27.575 7.464 1.00 0.00 C ATOM 1224 C GLY A 76 11.830 28.940 7.278 1.00 0.00 C ATOM 1225 O GLY A 76 11.303 29.482 8.247 1.00 0.00 O ATOM 1226 OXT GLY A 76 11.758 29.449 6.151 1.00 0.00 O ATOM 0 H GLY A 76 14.270 27.500 6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.109 26.843 6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.349 27.197 8.471 1.00 0.00 H new TER 1230 GLY A 76