USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 25 ASN : amide:sc= -0.0147 X(o=-0.0043,f=-0.056) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -155:sc= 0.0104 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= -2.3 USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 163:sc= 1.91 USER MOD Set 3.2: A 9 THR OG1 : rot -4:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.009 K(o=-0.009,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 27 LYS NZ :NH3+ -102:sc= -6.19! (180deg=-7.57!) USER MOD Single : A 31 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.444 (180deg=-0.0571!) USER MOD Single : A 40 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 41 GLN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.155 K(o=0.15,f=-8.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.011) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0991) USER MOD Single : A 65 SER OG : rot 171:sc= 0.116 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -3.65! C(o=-3.7!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.429 -2.530 4.764 1.00 0.00 N ATOM 2 CA MET A 1 50.018 -3.287 5.905 1.00 0.00 C ATOM 3 C MET A 1 51.347 -3.899 5.469 1.00 0.00 C ATOM 4 O MET A 1 52.416 -3.463 5.897 1.00 0.00 O ATOM 5 CB MET A 1 49.036 -4.385 6.334 1.00 0.00 C ATOM 6 CG MET A 1 49.670 -5.266 7.416 1.00 0.00 C ATOM 7 SD MET A 1 50.241 -4.233 8.790 1.00 0.00 S ATOM 8 CE MET A 1 48.693 -4.220 9.729 1.00 0.00 C ATOM 0 H1 MET A 1 48.523 -2.111 5.056 1.00 0.00 H new ATOM 0 H2 MET A 1 50.082 -1.775 4.474 1.00 0.00 H new ATOM 0 H3 MET A 1 49.270 -3.176 3.964 1.00 0.00 H new ATOM 0 HA MET A 1 50.198 -2.621 6.749 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.118 -3.935 6.712 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.761 -4.994 5.473 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.945 -5.996 7.775 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.506 -5.826 6.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 48.822 -3.628 10.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.901 -3.784 9.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.422 -5.241 9.999 1.00 0.00 H new ATOM 20 N GLN A 2 51.268 -4.912 4.614 1.00 0.00 N ATOM 21 CA GLN A 2 52.462 -5.588 4.116 1.00 0.00 C ATOM 22 C GLN A 2 53.021 -4.865 2.893 1.00 0.00 C ATOM 23 O GLN A 2 52.341 -4.041 2.284 1.00 0.00 O ATOM 24 CB GLN A 2 52.116 -7.033 3.740 1.00 0.00 C ATOM 25 CG GLN A 2 52.069 -7.909 4.994 1.00 0.00 C ATOM 26 CD GLN A 2 51.806 -9.356 4.594 1.00 0.00 C ATOM 27 OE1 GLN A 2 52.250 -9.795 3.532 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.104 -10.127 5.377 1.00 0.00 N ATOM 0 H GLN A 2 50.390 -5.284 4.251 1.00 0.00 H new ATOM 0 HA GLN A 2 53.217 -5.581 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.153 -7.063 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.858 -7.423 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 2 53.011 -7.836 5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 2 51.286 -7.558 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.737 -9.763 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 2 50.922 -11.095 5.110 1.00 0.00 H new ATOM 37 N ILE A 3 54.262 -5.196 2.534 1.00 0.00 N ATOM 38 CA ILE A 3 54.914 -4.601 1.366 1.00 0.00 C ATOM 39 C ILE A 3 55.280 -5.705 0.391 1.00 0.00 C ATOM 40 O ILE A 3 55.425 -6.865 0.777 1.00 0.00 O ATOM 41 CB ILE A 3 56.189 -3.849 1.765 1.00 0.00 C ATOM 42 CG1 ILE A 3 55.838 -2.428 2.234 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.146 -3.773 0.563 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.995 -1.430 1.085 1.00 0.00 C ATOM 0 H ILE A 3 54.836 -5.873 3.036 1.00 0.00 H new ATOM 0 HA ILE A 3 54.223 -3.893 0.908 1.00 0.00 H new ATOM 0 HB ILE A 3 56.674 -4.385 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.814 -2.404 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 3 56.485 -2.142 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.051 -3.238 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.408 -4.781 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.659 -3.246 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.742 -0.429 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 3 57.026 -1.441 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 3 55.329 -1.708 0.268 1.00 0.00 H new ATOM 56 N PHE A 4 55.421 -5.343 -0.877 1.00 0.00 N ATOM 57 CA PHE A 4 55.762 -6.319 -1.898 1.00 0.00 C ATOM 58 C PHE A 4 56.746 -5.739 -2.911 1.00 0.00 C ATOM 59 O PHE A 4 56.558 -4.630 -3.414 1.00 0.00 O ATOM 60 CB PHE A 4 54.479 -6.765 -2.587 1.00 0.00 C ATOM 61 CG PHE A 4 54.786 -7.473 -3.882 1.00 0.00 C ATOM 62 CD1 PHE A 4 55.903 -8.308 -3.984 1.00 0.00 C ATOM 63 CD2 PHE A 4 53.943 -7.292 -4.985 1.00 0.00 C ATOM 64 CE1 PHE A 4 56.179 -8.965 -5.187 1.00 0.00 C ATOM 65 CE2 PHE A 4 54.219 -7.949 -6.188 1.00 0.00 C ATOM 66 CZ PHE A 4 55.338 -8.786 -6.290 1.00 0.00 C ATOM 0 H PHE A 4 55.305 -4.389 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 4 56.250 -7.175 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.919 -7.429 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 4 53.845 -5.900 -2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.553 -8.446 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 4 53.081 -6.646 -4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 4 57.041 -9.611 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 4 53.569 -7.811 -7.039 1.00 0.00 H new ATOM 0 HZ PHE A 4 55.551 -9.293 -7.220 1.00 0.00 H new ATOM 76 N VAL A 5 57.793 -6.502 -3.207 1.00 0.00 N ATOM 77 CA VAL A 5 58.809 -6.074 -4.162 1.00 0.00 C ATOM 78 C VAL A 5 59.061 -7.172 -5.193 1.00 0.00 C ATOM 79 O VAL A 5 59.049 -8.356 -4.863 1.00 0.00 O ATOM 80 CB VAL A 5 60.108 -5.762 -3.419 1.00 0.00 C ATOM 81 CG1 VAL A 5 61.180 -5.334 -4.420 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.863 -4.631 -2.419 1.00 0.00 C ATOM 0 H VAL A 5 57.960 -7.422 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 5 58.457 -5.180 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 5 60.444 -6.652 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.106 -5.112 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 5 61.355 -6.140 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.845 -4.444 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.789 -4.408 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 5 59.526 -3.741 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 5 59.100 -4.937 -1.704 1.00 0.00 H new ATOM 92 N LYS A 6 59.284 -6.775 -6.443 1.00 0.00 N ATOM 93 CA LYS A 6 59.538 -7.742 -7.509 1.00 0.00 C ATOM 94 C LYS A 6 60.884 -7.460 -8.170 1.00 0.00 C ATOM 95 O LYS A 6 61.114 -6.371 -8.694 1.00 0.00 O ATOM 96 CB LYS A 6 58.415 -7.668 -8.552 1.00 0.00 C ATOM 97 CG LYS A 6 58.259 -9.025 -9.254 1.00 0.00 C ATOM 98 CD LYS A 6 56.969 -9.033 -10.086 1.00 0.00 C ATOM 99 CE LYS A 6 57.218 -8.372 -11.448 1.00 0.00 C ATOM 100 NZ LYS A 6 57.508 -9.424 -12.462 1.00 0.00 N ATOM 0 H LYS A 6 59.294 -5.800 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 6 59.564 -8.744 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 6 57.478 -7.389 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 6 58.639 -6.894 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 6 59.119 -9.213 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 6 58.232 -9.826 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.624 -10.057 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.180 -8.502 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.345 -7.792 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 6 58.054 -7.676 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.677 -8.978 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.353 -9.959 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.697 -10.071 -12.533 1.00 0.00 H new ATOM 114 N THR A 7 61.773 -8.450 -8.138 1.00 0.00 N ATOM 115 CA THR A 7 63.098 -8.300 -8.731 1.00 0.00 C ATOM 116 C THR A 7 63.054 -8.597 -10.226 1.00 0.00 C ATOM 117 O THR A 7 62.019 -8.998 -10.758 1.00 0.00 O ATOM 118 CB THR A 7 64.087 -9.250 -8.052 1.00 0.00 C ATOM 119 OG1 THR A 7 63.973 -10.541 -8.631 1.00 0.00 O ATOM 120 CG2 THR A 7 63.776 -9.333 -6.557 1.00 0.00 C ATOM 0 H THR A 7 61.601 -9.360 -7.710 1.00 0.00 H new ATOM 0 HA THR A 7 63.424 -7.270 -8.585 1.00 0.00 H new ATOM 0 HB THR A 7 65.102 -8.876 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 7 64.762 -11.074 -8.400 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.482 -10.010 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 7 63.863 -8.342 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.762 -9.706 -6.417 1.00 0.00 H new ATOM 128 N LEU A 8 64.183 -8.395 -10.895 1.00 0.00 N ATOM 129 CA LEU A 8 64.263 -8.643 -12.329 1.00 0.00 C ATOM 130 C LEU A 8 64.191 -10.141 -12.616 1.00 0.00 C ATOM 131 O LEU A 8 64.051 -10.555 -13.767 1.00 0.00 O ATOM 132 CB LEU A 8 65.570 -8.069 -12.884 1.00 0.00 C ATOM 133 CG LEU A 8 65.421 -6.557 -13.090 1.00 0.00 C ATOM 134 CD1 LEU A 8 65.047 -5.890 -11.763 1.00 0.00 C ATOM 135 CD2 LEU A 8 66.746 -5.978 -13.600 1.00 0.00 C ATOM 0 H LEU A 8 65.049 -8.063 -10.471 1.00 0.00 H new ATOM 0 HA LEU A 8 63.420 -8.153 -12.816 1.00 0.00 H new ATOM 0 HB2 LEU A 8 66.390 -8.273 -12.196 1.00 0.00 H new ATOM 0 HB3 LEU A 8 65.819 -8.552 -13.829 1.00 0.00 H new ATOM 0 HG LEU A 8 64.636 -6.368 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 8 64.942 -4.815 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 8 64.104 -6.300 -11.403 1.00 0.00 H new ATOM 0 HD13 LEU A 8 65.829 -6.079 -11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.641 -4.903 -13.747 1.00 0.00 H new ATOM 0 HD22 LEU A 8 67.532 -6.169 -12.869 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.009 -6.449 -14.547 1.00 0.00 H new ATOM 147 N THR A 9 64.281 -10.947 -11.561 1.00 0.00 N ATOM 148 CA THR A 9 64.219 -12.398 -11.707 1.00 0.00 C ATOM 149 C THR A 9 62.781 -12.884 -11.560 1.00 0.00 C ATOM 150 O THR A 9 62.495 -14.069 -11.728 1.00 0.00 O ATOM 151 CB THR A 9 65.097 -13.070 -10.649 1.00 0.00 C ATOM 152 OG1 THR A 9 64.685 -12.649 -9.356 1.00 0.00 O ATOM 153 CG2 THR A 9 66.560 -12.683 -10.873 1.00 0.00 C ATOM 0 H THR A 9 64.396 -10.622 -10.601 1.00 0.00 H new ATOM 0 HA THR A 9 64.584 -12.662 -12.699 1.00 0.00 H new ATOM 0 HB THR A 9 64.996 -14.152 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.973 -11.981 -9.441 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.183 -13.163 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.875 -13.009 -11.864 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.666 -11.601 -10.796 1.00 0.00 H new ATOM 161 N GLY A 10 61.880 -11.957 -11.248 1.00 0.00 N ATOM 162 CA GLY A 10 60.470 -12.295 -11.087 1.00 0.00 C ATOM 163 C GLY A 10 60.199 -12.927 -9.724 1.00 0.00 C ATOM 164 O GLY A 10 59.062 -13.281 -9.414 1.00 0.00 O ATOM 0 H GLY A 10 62.099 -10.972 -11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 59.864 -11.396 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 10 60.167 -12.984 -11.876 1.00 0.00 H new ATOM 168 N LYS A 11 61.244 -13.067 -8.913 1.00 0.00 N ATOM 169 CA LYS A 11 61.084 -13.659 -7.589 1.00 0.00 C ATOM 170 C LYS A 11 60.205 -12.768 -6.716 1.00 0.00 C ATOM 171 O LYS A 11 60.414 -11.557 -6.635 1.00 0.00 O ATOM 172 CB LYS A 11 62.459 -13.858 -6.925 1.00 0.00 C ATOM 173 CG LYS A 11 62.801 -15.355 -6.856 1.00 0.00 C ATOM 174 CD LYS A 11 63.913 -15.593 -5.828 1.00 0.00 C ATOM 175 CE LYS A 11 65.249 -15.092 -6.384 1.00 0.00 C ATOM 176 NZ LYS A 11 66.309 -15.247 -5.347 1.00 0.00 N ATOM 0 H LYS A 11 62.196 -12.784 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 11 60.602 -14.631 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.225 -13.328 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.452 -13.432 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 61.914 -15.927 -6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 11 63.119 -15.709 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 11 63.678 -15.075 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 11 63.982 -16.655 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 11 65.516 -15.654 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 11 65.163 -14.046 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 67.216 -14.907 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 66.055 -14.692 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 66.396 -16.250 -5.087 1.00 0.00 H new ATOM 190 N THR A 12 59.220 -13.381 -6.069 1.00 0.00 N ATOM 191 CA THR A 12 58.305 -12.645 -5.206 1.00 0.00 C ATOM 192 C THR A 12 58.835 -12.609 -3.776 1.00 0.00 C ATOM 193 O THR A 12 58.966 -13.647 -3.127 1.00 0.00 O ATOM 194 CB THR A 12 56.922 -13.309 -5.238 1.00 0.00 C ATOM 195 OG1 THR A 12 56.830 -14.142 -6.385 1.00 0.00 O ATOM 196 CG2 THR A 12 55.829 -12.238 -5.295 1.00 0.00 C ATOM 0 H THR A 12 59.035 -14.383 -6.126 1.00 0.00 H new ATOM 0 HA THR A 12 58.222 -11.621 -5.569 1.00 0.00 H new ATOM 0 HB THR A 12 56.788 -13.906 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.949 -14.570 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 12 54.850 -12.718 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 12 55.900 -11.599 -4.415 1.00 0.00 H new ATOM 0 HG23 THR A 12 55.958 -11.634 -6.193 1.00 0.00 H new ATOM 204 N ILE A 13 59.142 -11.407 -3.295 1.00 0.00 N ATOM 205 CA ILE A 13 59.660 -11.234 -1.941 1.00 0.00 C ATOM 206 C ILE A 13 58.729 -10.337 -1.126 1.00 0.00 C ATOM 207 O ILE A 13 58.449 -9.201 -1.511 1.00 0.00 O ATOM 208 CB ILE A 13 61.069 -10.628 -2.007 1.00 0.00 C ATOM 209 CG1 ILE A 13 61.801 -10.852 -0.678 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.982 -9.126 -2.285 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.309 -10.675 -0.887 1.00 0.00 C ATOM 0 H ILE A 13 59.041 -10.540 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 13 59.712 -12.205 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 13 61.619 -11.116 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.442 -10.146 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 61.591 -11.852 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.987 -8.705 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.477 -8.961 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.421 -8.640 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.828 -10.834 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.662 -11.399 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.511 -9.666 -1.246 1.00 0.00 H new ATOM 223 N THR A 14 58.243 -10.862 -0.003 1.00 0.00 N ATOM 224 CA THR A 14 57.333 -10.113 0.862 1.00 0.00 C ATOM 225 C THR A 14 57.972 -9.857 2.228 1.00 0.00 C ATOM 226 O THR A 14 58.636 -10.730 2.786 1.00 0.00 O ATOM 227 CB THR A 14 56.029 -10.895 1.052 1.00 0.00 C ATOM 228 OG1 THR A 14 56.330 -12.262 1.299 1.00 0.00 O ATOM 229 CG2 THR A 14 55.167 -10.782 -0.208 1.00 0.00 C ATOM 0 H THR A 14 58.463 -11.801 0.329 1.00 0.00 H new ATOM 0 HA THR A 14 57.121 -9.156 0.386 1.00 0.00 H new ATOM 0 HB THR A 14 55.482 -10.481 1.899 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.497 -12.763 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.241 -11.340 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 14 54.934 -9.734 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.711 -11.191 -1.059 1.00 0.00 H new ATOM 237 N LEU A 15 57.760 -8.654 2.764 1.00 0.00 N ATOM 238 CA LEU A 15 58.314 -8.285 4.070 1.00 0.00 C ATOM 239 C LEU A 15 57.190 -8.081 5.064 1.00 0.00 C ATOM 240 O LEU A 15 56.101 -7.638 4.696 1.00 0.00 O ATOM 241 CB LEU A 15 59.155 -6.995 3.970 1.00 0.00 C ATOM 242 CG LEU A 15 59.235 -6.517 2.516 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.726 -5.069 2.479 1.00 0.00 C ATOM 244 CD2 LEU A 15 60.216 -7.400 1.738 1.00 0.00 C ATOM 0 H LEU A 15 57.211 -7.920 2.317 1.00 0.00 H new ATOM 0 HA LEU A 15 58.962 -9.094 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.712 -6.216 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.158 -7.177 4.355 1.00 0.00 H new ATOM 0 HG LEU A 15 58.246 -6.581 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.782 -4.730 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.032 -4.435 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.714 -5.008 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 15 60.272 -7.059 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 15 61.204 -7.337 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.872 -8.434 1.761 1.00 0.00 H new ATOM 256 N GLU A 16 57.451 -8.386 6.330 1.00 0.00 N ATOM 257 CA GLU A 16 56.427 -8.197 7.338 1.00 0.00 C ATOM 258 C GLU A 16 56.643 -6.835 7.954 1.00 0.00 C ATOM 259 O GLU A 16 57.632 -6.593 8.646 1.00 0.00 O ATOM 260 CB GLU A 16 56.535 -9.289 8.412 1.00 0.00 C ATOM 261 CG GLU A 16 55.226 -9.378 9.202 1.00 0.00 C ATOM 262 CD GLU A 16 55.034 -8.119 10.041 1.00 0.00 C ATOM 263 OE1 GLU A 16 55.757 -7.962 11.011 1.00 0.00 O ATOM 264 OE2 GLU A 16 54.166 -7.331 9.701 1.00 0.00 O ATOM 0 H GLU A 16 58.338 -8.755 6.672 1.00 0.00 H new ATOM 0 HA GLU A 16 55.434 -8.262 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.754 -10.249 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 16 57.362 -9.067 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 16 54.387 -9.500 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 16 55.241 -10.256 9.848 1.00 0.00 H new ATOM 271 N VAL A 17 55.723 -5.934 7.648 1.00 0.00 N ATOM 272 CA VAL A 17 55.828 -4.570 8.121 1.00 0.00 C ATOM 273 C VAL A 17 54.467 -3.931 8.307 1.00 0.00 C ATOM 274 O VAL A 17 53.445 -4.455 7.867 1.00 0.00 O ATOM 275 CB VAL A 17 56.593 -3.758 7.080 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.820 -3.788 5.756 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.735 -2.307 7.558 1.00 0.00 C ATOM 0 H VAL A 17 54.900 -6.125 7.077 1.00 0.00 H new ATOM 0 HA VAL A 17 56.338 -4.583 9.084 1.00 0.00 H new ATOM 0 HB VAL A 17 57.585 -4.186 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.360 -3.210 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.720 -4.819 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.830 -3.357 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.282 -1.730 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.746 -1.872 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.279 -2.287 8.503 1.00 0.00 H new ATOM 287 N GLU A 18 54.489 -2.745 8.903 1.00 0.00 N ATOM 288 CA GLU A 18 53.290 -1.954 9.090 1.00 0.00 C ATOM 289 C GLU A 18 53.210 -0.998 7.898 1.00 0.00 C ATOM 290 O GLU A 18 54.131 -0.965 7.089 1.00 0.00 O ATOM 291 CB GLU A 18 53.385 -1.176 10.410 1.00 0.00 C ATOM 292 CG GLU A 18 54.800 -0.601 10.576 1.00 0.00 C ATOM 293 CD GLU A 18 55.654 -1.535 11.430 1.00 0.00 C ATOM 294 OE1 GLU A 18 56.167 -2.499 10.888 1.00 0.00 O ATOM 295 OE2 GLU A 18 55.784 -1.268 12.613 1.00 0.00 O ATOM 0 H GLU A 18 55.337 -2.310 9.267 1.00 0.00 H new ATOM 0 HA GLU A 18 52.398 -2.578 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.652 -0.370 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.149 -1.833 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 18 55.262 -0.467 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.748 0.383 11.042 1.00 0.00 H new ATOM 302 N PRO A 19 52.174 -0.234 7.734 1.00 0.00 N ATOM 303 CA PRO A 19 52.075 0.679 6.593 1.00 0.00 C ATOM 304 C PRO A 19 52.979 1.878 6.755 1.00 0.00 C ATOM 305 O PRO A 19 53.092 2.678 5.829 1.00 0.00 O ATOM 306 CB PRO A 19 50.601 1.069 6.512 1.00 0.00 C ATOM 307 CG PRO A 19 49.920 0.332 7.617 1.00 0.00 C ATOM 308 CD PRO A 19 51.002 -0.112 8.579 1.00 0.00 C ATOM 0 HA PRO A 19 52.407 0.206 5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.475 2.146 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.178 0.799 5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.195 0.972 8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.372 -0.526 7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.155 0.616 9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.751 -1.059 9.057 1.00 0.00 H new ATOM 316 N SER A 20 53.642 2.038 7.911 1.00 0.00 N ATOM 317 CA SER A 20 54.490 3.202 8.004 1.00 0.00 C ATOM 318 C SER A 20 55.716 2.879 7.199 1.00 0.00 C ATOM 319 O SER A 20 56.239 3.731 6.486 1.00 0.00 O ATOM 320 CB SER A 20 54.874 3.468 9.464 1.00 0.00 C ATOM 321 OG SER A 20 54.962 4.868 9.686 1.00 0.00 O ATOM 0 H SER A 20 53.607 1.424 8.725 1.00 0.00 H new ATOM 0 HA SER A 20 53.986 4.095 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.132 3.030 10.131 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.828 2.993 9.692 1.00 0.00 H new ATOM 0 HG SER A 20 55.206 5.036 10.620 1.00 0.00 H new ATOM 327 N ASP A 21 56.034 1.590 7.133 1.00 0.00 N ATOM 328 CA ASP A 21 57.033 1.151 6.192 1.00 0.00 C ATOM 329 C ASP A 21 58.104 2.195 5.974 1.00 0.00 C ATOM 330 O ASP A 21 58.154 2.758 4.881 1.00 0.00 O ATOM 331 CB ASP A 21 56.392 0.749 4.884 1.00 0.00 C ATOM 332 CG ASP A 21 56.045 -0.726 4.897 1.00 0.00 C ATOM 333 OD1 ASP A 21 56.940 -1.516 5.122 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.889 -1.043 4.673 1.00 0.00 O ATOM 0 H ASP A 21 55.621 0.855 7.708 1.00 0.00 H new ATOM 0 HA ASP A 21 57.523 0.277 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.491 1.340 4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.071 0.962 4.058 1.00 0.00 H new ATOM 339 N THR A 22 58.909 2.556 6.942 1.00 0.00 N ATOM 340 CA THR A 22 59.826 3.633 6.632 1.00 0.00 C ATOM 341 C THR A 22 61.027 3.022 5.964 1.00 0.00 C ATOM 342 O THR A 22 61.476 1.935 6.295 1.00 0.00 O ATOM 343 CB THR A 22 60.249 4.363 7.911 1.00 0.00 C ATOM 344 OG1 THR A 22 61.442 3.782 8.419 1.00 0.00 O ATOM 345 CG2 THR A 22 59.139 4.252 8.957 1.00 0.00 C ATOM 0 H THR A 22 58.955 2.160 7.881 1.00 0.00 H new ATOM 0 HA THR A 22 59.348 4.362 5.978 1.00 0.00 H new ATOM 0 HB THR A 22 60.427 5.414 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.712 4.251 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 22 59.442 4.772 9.866 1.00 0.00 H new ATOM 0 HG22 THR A 22 58.226 4.703 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 22 58.956 3.202 9.184 1.00 0.00 H new ATOM 353 N ILE A 23 61.463 3.710 4.929 1.00 0.00 N ATOM 354 CA ILE A 23 62.530 3.219 4.087 1.00 0.00 C ATOM 355 C ILE A 23 63.729 2.857 4.921 1.00 0.00 C ATOM 356 O ILE A 23 64.324 1.802 4.723 1.00 0.00 O ATOM 357 CB ILE A 23 62.850 4.276 3.031 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.581 5.129 2.803 1.00 0.00 C ATOM 359 CG2 ILE A 23 63.278 3.607 1.715 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.402 4.231 2.437 1.00 0.00 C ATOM 0 H ILE A 23 61.090 4.618 4.651 1.00 0.00 H new ATOM 0 HA ILE A 23 62.221 2.308 3.574 1.00 0.00 H new ATOM 0 HB ILE A 23 63.672 4.905 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 23 61.349 5.697 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 23 61.758 5.852 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.502 4.374 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.166 2.999 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 23 62.470 2.974 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 23 59.514 4.843 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 23 60.632 3.683 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 60.217 3.525 3.247 1.00 0.00 H new ATOM 372 N GLU A 24 64.043 3.667 5.908 1.00 0.00 N ATOM 373 CA GLU A 24 65.127 3.298 6.781 1.00 0.00 C ATOM 374 C GLU A 24 64.725 1.961 7.408 1.00 0.00 C ATOM 375 O GLU A 24 65.559 1.098 7.680 1.00 0.00 O ATOM 376 CB GLU A 24 65.336 4.364 7.867 1.00 0.00 C ATOM 377 CG GLU A 24 66.817 4.749 7.939 1.00 0.00 C ATOM 378 CD GLU A 24 67.053 5.699 9.107 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.858 6.889 8.924 1.00 0.00 O ATOM 380 OE2 GLU A 24 67.428 5.224 10.166 1.00 0.00 O ATOM 0 H GLU A 24 63.582 4.552 6.119 1.00 0.00 H new ATOM 0 HA GLU A 24 66.067 3.216 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.732 5.244 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.003 3.983 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.428 3.854 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.124 5.223 7.007 1.00 0.00 H new ATOM 387 N ASN A 25 63.406 1.819 7.613 1.00 0.00 N ATOM 388 CA ASN A 25 62.825 0.606 8.188 1.00 0.00 C ATOM 389 C ASN A 25 62.700 -0.532 7.170 1.00 0.00 C ATOM 390 O ASN A 25 63.044 -1.677 7.462 1.00 0.00 O ATOM 391 CB ASN A 25 61.441 0.927 8.753 1.00 0.00 C ATOM 392 CG ASN A 25 60.882 -0.301 9.465 1.00 0.00 C ATOM 393 OD1 ASN A 25 59.785 -0.758 9.147 1.00 0.00 O ATOM 394 ND2 ASN A 25 61.579 -0.866 10.413 1.00 0.00 N ATOM 0 H ASN A 25 62.720 2.539 7.385 1.00 0.00 H new ATOM 0 HA ASN A 25 63.499 0.267 8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.506 1.765 9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 25 60.770 1.231 7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 25 61.214 -1.689 10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.488 -0.484 10.674 1.00 0.00 H new ATOM 401 N VAL A 26 62.186 -0.213 5.986 1.00 0.00 N ATOM 402 CA VAL A 26 61.993 -1.215 4.940 1.00 0.00 C ATOM 403 C VAL A 26 63.322 -1.621 4.316 1.00 0.00 C ATOM 404 O VAL A 26 63.506 -2.770 3.924 1.00 0.00 O ATOM 405 CB VAL A 26 61.069 -0.667 3.846 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.649 -1.810 2.914 1.00 0.00 C ATOM 407 CG2 VAL A 26 59.816 -0.043 4.477 1.00 0.00 C ATOM 0 H VAL A 26 61.896 0.730 5.726 1.00 0.00 H new ATOM 0 HA VAL A 26 61.539 -2.093 5.400 1.00 0.00 H new ATOM 0 HB VAL A 26 61.603 0.096 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 59.992 -1.422 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.535 -2.250 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.121 -2.572 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.167 0.343 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.281 -0.801 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.109 0.772 5.138 1.00 0.00 H new ATOM 417 N LYS A 27 64.230 -0.660 4.202 1.00 0.00 N ATOM 418 CA LYS A 27 65.530 -0.902 3.584 1.00 0.00 C ATOM 419 C LYS A 27 66.259 -2.068 4.232 1.00 0.00 C ATOM 420 O LYS A 27 66.706 -2.983 3.541 1.00 0.00 O ATOM 421 CB LYS A 27 66.386 0.358 3.699 1.00 0.00 C ATOM 422 CG LYS A 27 65.921 1.372 2.655 1.00 0.00 C ATOM 423 CD LYS A 27 66.567 1.062 1.296 1.00 0.00 C ATOM 424 CE LYS A 27 65.531 1.205 0.182 1.00 0.00 C ATOM 425 NZ LYS A 27 64.305 0.431 0.529 1.00 0.00 N ATOM 0 H LYS A 27 64.091 0.296 4.530 1.00 0.00 H new ATOM 0 HA LYS A 27 65.361 -1.155 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.300 0.782 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.437 0.114 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 27 64.835 1.342 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 27 66.187 2.380 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.402 1.740 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.973 0.050 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.280 2.256 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.945 0.845 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.297 -0.463 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.300 0.227 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 63.462 0.988 0.283 1.00 0.00 H new ATOM 439 N ALA A 28 66.384 -2.041 5.545 1.00 0.00 N ATOM 440 CA ALA A 28 67.069 -3.119 6.235 1.00 0.00 C ATOM 441 C ALA A 28 66.353 -4.440 5.979 1.00 0.00 C ATOM 442 O ALA A 28 66.989 -5.486 5.840 1.00 0.00 O ATOM 443 CB ALA A 28 67.129 -2.830 7.729 1.00 0.00 C ATOM 0 H ALA A 28 66.028 -1.299 6.147 1.00 0.00 H new ATOM 0 HA ALA A 28 68.087 -3.193 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.645 -3.645 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.668 -1.898 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 28 66.117 -2.740 8.123 1.00 0.00 H new ATOM 449 N LYS A 29 65.025 -4.384 5.890 1.00 0.00 N ATOM 450 CA LYS A 29 64.243 -5.583 5.621 1.00 0.00 C ATOM 451 C LYS A 29 64.650 -6.151 4.261 1.00 0.00 C ATOM 452 O LYS A 29 64.693 -7.366 4.075 1.00 0.00 O ATOM 453 CB LYS A 29 62.726 -5.274 5.660 1.00 0.00 C ATOM 454 CG LYS A 29 62.120 -5.725 7.009 1.00 0.00 C ATOM 455 CD LYS A 29 61.351 -4.569 7.658 1.00 0.00 C ATOM 456 CE LYS A 29 60.772 -5.036 8.997 1.00 0.00 C ATOM 457 NZ LYS A 29 59.773 -4.044 9.487 1.00 0.00 N ATOM 0 H LYS A 29 64.476 -3.531 5.999 1.00 0.00 H new ATOM 0 HA LYS A 29 64.444 -6.324 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.562 -4.206 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.223 -5.785 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.452 -6.572 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.912 -6.064 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.014 -3.717 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.550 -4.234 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.302 -6.012 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.571 -5.153 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 59.697 -4.110 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.077 -3.085 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 58.847 -4.244 9.059 1.00 0.00 H new ATOM 471 N ILE A 30 64.953 -5.262 3.313 1.00 0.00 N ATOM 472 CA ILE A 30 65.358 -5.702 1.981 1.00 0.00 C ATOM 473 C ILE A 30 66.672 -6.492 2.047 1.00 0.00 C ATOM 474 O ILE A 30 66.792 -7.558 1.442 1.00 0.00 O ATOM 475 CB ILE A 30 65.519 -4.501 1.039 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.293 -3.587 1.139 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.650 -4.996 -0.399 1.00 0.00 C ATOM 478 CD1 ILE A 30 63.010 -4.422 1.066 1.00 0.00 C ATOM 0 H ILE A 30 64.926 -4.250 3.441 1.00 0.00 H new ATOM 0 HA ILE A 30 64.576 -6.353 1.590 1.00 0.00 H new ATOM 0 HB ILE A 30 66.412 -3.945 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 30 64.321 -3.029 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.307 -2.856 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.764 -4.143 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.523 -5.643 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 30 64.756 -5.556 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.143 -3.765 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.980 -4.960 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.993 -5.136 1.890 1.00 0.00 H new ATOM 490 N GLN A 31 67.645 -5.970 2.788 1.00 0.00 N ATOM 491 CA GLN A 31 68.941 -6.638 2.933 1.00 0.00 C ATOM 492 C GLN A 31 68.809 -7.920 3.752 1.00 0.00 C ATOM 493 O GLN A 31 69.563 -8.875 3.562 1.00 0.00 O ATOM 494 CB GLN A 31 69.945 -5.708 3.612 1.00 0.00 C ATOM 495 CG GLN A 31 71.292 -6.427 3.731 1.00 0.00 C ATOM 496 CD GLN A 31 72.369 -5.454 4.198 1.00 0.00 C ATOM 497 OE1 GLN A 31 73.259 -5.095 3.428 1.00 0.00 O ATOM 498 NE2 GLN A 31 72.342 -5.006 5.423 1.00 0.00 N ATOM 0 H GLN A 31 67.564 -5.090 3.297 1.00 0.00 H new ATOM 0 HA GLN A 31 69.296 -6.893 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 31 70.058 -4.791 3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.583 -5.421 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 31 71.210 -7.255 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.571 -6.854 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 31 71.603 -5.305 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.060 -4.357 5.744 1.00 0.00 H new ATOM 507 N ASP A 32 67.875 -7.911 4.693 1.00 0.00 N ATOM 508 CA ASP A 32 67.667 -9.050 5.582 1.00 0.00 C ATOM 509 C ASP A 32 67.359 -10.340 4.814 1.00 0.00 C ATOM 510 O ASP A 32 67.853 -11.408 5.171 1.00 0.00 O ATOM 511 CB ASP A 32 66.508 -8.733 6.538 1.00 0.00 C ATOM 512 CG ASP A 32 66.886 -9.087 7.972 1.00 0.00 C ATOM 513 OD1 ASP A 32 67.695 -8.374 8.544 1.00 0.00 O ATOM 514 OD2 ASP A 32 66.359 -10.064 8.480 1.00 0.00 O ATOM 0 H ASP A 32 67.246 -7.126 4.862 1.00 0.00 H new ATOM 0 HA ASP A 32 68.591 -9.215 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 66.255 -7.675 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 32 65.621 -9.292 6.241 1.00 0.00 H new ATOM 519 N LYS A 33 66.532 -10.249 3.777 1.00 0.00 N ATOM 520 CA LYS A 33 66.170 -11.440 3.006 1.00 0.00 C ATOM 521 C LYS A 33 67.387 -12.033 2.300 1.00 0.00 C ATOM 522 O LYS A 33 67.704 -13.211 2.470 1.00 0.00 O ATOM 523 CB LYS A 33 65.092 -11.080 1.977 1.00 0.00 C ATOM 524 CG LYS A 33 63.719 -11.042 2.660 1.00 0.00 C ATOM 525 CD LYS A 33 63.103 -12.445 2.660 1.00 0.00 C ATOM 526 CE LYS A 33 61.738 -12.406 3.352 1.00 0.00 C ATOM 527 NZ LYS A 33 60.699 -11.953 2.383 1.00 0.00 N ATOM 0 H LYS A 33 66.105 -9.381 3.453 1.00 0.00 H new ATOM 0 HA LYS A 33 65.782 -12.190 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 33 65.313 -10.112 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 33 65.087 -11.812 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 33 63.821 -10.679 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 63.062 -10.346 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 33 62.993 -12.805 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 33 63.763 -13.143 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 33 61.485 -13.394 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 61.772 -11.731 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 59.855 -11.635 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 61.073 -11.166 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.443 -12.741 1.755 1.00 0.00 H new ATOM 541 N GLU A 34 68.071 -11.206 1.525 1.00 0.00 N ATOM 542 CA GLU A 34 69.266 -11.638 0.806 1.00 0.00 C ATOM 543 C GLU A 34 70.280 -10.510 0.845 1.00 0.00 C ATOM 544 O GLU A 34 69.956 -9.411 1.295 1.00 0.00 O ATOM 545 CB GLU A 34 68.923 -11.986 -0.649 1.00 0.00 C ATOM 546 CG GLU A 34 68.105 -13.289 -0.701 1.00 0.00 C ATOM 547 CD GLU A 34 68.583 -14.169 -1.852 1.00 0.00 C ATOM 548 OE1 GLU A 34 68.967 -13.619 -2.871 1.00 0.00 O ATOM 549 OE2 GLU A 34 68.559 -15.379 -1.696 1.00 0.00 O ATOM 0 H GLU A 34 67.821 -10.229 1.376 1.00 0.00 H new ATOM 0 HA GLU A 34 69.676 -12.531 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 34 68.356 -11.173 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 34 69.838 -12.098 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 34 68.204 -13.826 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 34 67.047 -13.058 -0.826 1.00 0.00 H new ATOM 556 N GLY A 35 71.505 -10.756 0.393 1.00 0.00 N ATOM 557 CA GLY A 35 72.490 -9.690 0.436 1.00 0.00 C ATOM 558 C GLY A 35 72.271 -8.721 -0.698 1.00 0.00 C ATOM 559 O GLY A 35 72.508 -9.017 -1.868 1.00 0.00 O ATOM 0 H GLY A 35 71.828 -11.644 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 35 72.424 -9.165 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.493 -10.111 0.373 1.00 0.00 H new ATOM 563 N ILE A 36 71.870 -7.542 -0.301 1.00 0.00 N ATOM 564 CA ILE A 36 71.657 -6.443 -1.202 1.00 0.00 C ATOM 565 C ILE A 36 71.859 -5.204 -0.357 1.00 0.00 C ATOM 566 O ILE A 36 71.202 -5.052 0.672 1.00 0.00 O ATOM 567 CB ILE A 36 70.251 -6.505 -1.815 1.00 0.00 C ATOM 568 CG1 ILE A 36 69.973 -5.231 -2.621 1.00 0.00 C ATOM 569 CG2 ILE A 36 69.203 -6.658 -0.715 1.00 0.00 C ATOM 570 CD1 ILE A 36 68.861 -5.503 -3.641 1.00 0.00 C ATOM 0 H ILE A 36 71.679 -7.316 0.675 1.00 0.00 H new ATOM 0 HA ILE A 36 72.341 -6.458 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 36 70.197 -7.368 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.678 -4.422 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.879 -4.907 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 36 68.210 -6.701 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 36 69.391 -7.577 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.259 -5.806 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 36 68.663 -4.597 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 69.174 -6.299 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.954 -5.807 -3.118 1.00 0.00 H new ATOM 582 N PRO A 37 72.760 -4.343 -0.699 1.00 0.00 N ATOM 583 CA PRO A 37 73.003 -3.164 0.150 1.00 0.00 C ATOM 584 C PRO A 37 71.797 -2.217 0.151 1.00 0.00 C ATOM 585 O PRO A 37 71.324 -1.805 -0.908 1.00 0.00 O ATOM 586 CB PRO A 37 74.254 -2.515 -0.448 1.00 0.00 C ATOM 587 CG PRO A 37 74.692 -3.349 -1.617 1.00 0.00 C ATOM 588 CD PRO A 37 73.612 -4.392 -1.886 1.00 0.00 C ATOM 0 HA PRO A 37 73.149 -3.426 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.040 -1.495 -0.766 1.00 0.00 H new ATOM 0 HB3 PRO A 37 75.047 -2.456 0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 74.843 -2.723 -2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.645 -3.834 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.049 -4.158 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.042 -5.384 -2.026 1.00 0.00 H new ATOM 596 N PRO A 38 71.293 -1.873 1.319 1.00 0.00 N ATOM 597 CA PRO A 38 70.117 -0.966 1.452 1.00 0.00 C ATOM 598 C PRO A 38 70.401 0.446 0.934 1.00 0.00 C ATOM 599 O PRO A 38 69.589 1.029 0.217 1.00 0.00 O ATOM 600 CB PRO A 38 69.783 -0.943 2.948 1.00 0.00 C ATOM 601 CG PRO A 38 70.773 -1.824 3.645 1.00 0.00 C ATOM 602 CD PRO A 38 71.797 -2.320 2.624 1.00 0.00 C ATOM 0 HA PRO A 38 69.285 -1.328 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.835 0.074 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.767 -1.298 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.272 -1.274 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.265 -2.669 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.785 -1.907 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.892 -3.405 2.658 1.00 0.00 H new ATOM 610 N ASP A 39 71.556 0.990 1.313 1.00 0.00 N ATOM 611 CA ASP A 39 71.932 2.338 0.892 1.00 0.00 C ATOM 612 C ASP A 39 72.005 2.420 -0.626 1.00 0.00 C ATOM 613 O ASP A 39 71.812 3.486 -1.215 1.00 0.00 O ATOM 614 CB ASP A 39 73.290 2.714 1.488 1.00 0.00 C ATOM 615 CG ASP A 39 73.234 2.633 3.009 1.00 0.00 C ATOM 616 OD1 ASP A 39 72.279 2.070 3.519 1.00 0.00 O ATOM 617 OD2 ASP A 39 74.148 3.135 3.644 1.00 0.00 O ATOM 0 H ASP A 39 72.242 0.523 1.906 1.00 0.00 H new ATOM 0 HA ASP A 39 71.174 3.034 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.061 2.043 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.565 3.723 1.179 1.00 0.00 H new ATOM 622 N GLN A 40 72.283 1.286 -1.255 1.00 0.00 N ATOM 623 CA GLN A 40 72.383 1.229 -2.706 1.00 0.00 C ATOM 624 C GLN A 40 71.075 0.729 -3.307 1.00 0.00 C ATOM 625 O GLN A 40 71.001 0.438 -4.501 1.00 0.00 O ATOM 626 CB GLN A 40 73.526 0.292 -3.111 1.00 0.00 C ATOM 627 CG GLN A 40 74.032 0.663 -4.511 1.00 0.00 C ATOM 628 CD GLN A 40 75.167 1.678 -4.409 1.00 0.00 C ATOM 629 OE1 GLN A 40 76.306 1.371 -4.765 1.00 0.00 O ATOM 630 NE2 GLN A 40 74.927 2.875 -3.946 1.00 0.00 N ATOM 0 H GLN A 40 72.443 0.395 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 40 72.585 2.232 -3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 40 74.340 0.364 -2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.181 -0.742 -3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.379 -0.231 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 40 73.216 1.077 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 40 73.984 3.128 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 40 75.683 3.557 -3.879 1.00 0.00 H new ATOM 639 N GLN A 41 70.044 0.621 -2.471 1.00 0.00 N ATOM 640 CA GLN A 41 68.748 0.142 -2.938 1.00 0.00 C ATOM 641 C GLN A 41 67.698 1.257 -2.900 1.00 0.00 C ATOM 642 O GLN A 41 67.488 1.892 -1.868 1.00 0.00 O ATOM 643 CB GLN A 41 68.293 -1.038 -2.069 1.00 0.00 C ATOM 644 CG GLN A 41 67.881 -2.211 -2.964 1.00 0.00 C ATOM 645 CD GLN A 41 66.722 -1.798 -3.863 1.00 0.00 C ATOM 646 OE1 GLN A 41 66.171 -0.710 -3.707 1.00 0.00 O ATOM 647 NE2 GLN A 41 66.316 -2.610 -4.798 1.00 0.00 N ATOM 0 H GLN A 41 70.081 0.856 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 41 68.854 -0.184 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.099 -1.343 -1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.456 -0.737 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 41 68.728 -2.530 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.590 -3.063 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.775 -3.512 -4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.539 -2.344 -5.403 1.00 0.00 H new ATOM 656 N ARG A 42 67.038 1.473 -4.039 1.00 0.00 N ATOM 657 CA ARG A 42 65.993 2.492 -4.147 1.00 0.00 C ATOM 658 C ARG A 42 64.730 1.887 -4.764 1.00 0.00 C ATOM 659 O ARG A 42 64.810 1.120 -5.723 1.00 0.00 O ATOM 660 CB ARG A 42 66.471 3.659 -5.020 1.00 0.00 C ATOM 661 CG ARG A 42 67.582 4.443 -4.297 1.00 0.00 C ATOM 662 CD ARG A 42 68.956 3.943 -4.752 1.00 0.00 C ATOM 663 NE ARG A 42 69.049 3.963 -6.208 1.00 0.00 N ATOM 664 CZ ARG A 42 69.279 5.093 -6.868 1.00 0.00 C ATOM 665 NH1 ARG A 42 70.504 5.470 -7.113 1.00 0.00 N ATOM 666 NH2 ARG A 42 68.278 5.824 -7.275 1.00 0.00 N ATOM 0 H ARG A 42 67.209 0.955 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 42 65.770 2.861 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.843 3.282 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.635 4.322 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.485 5.508 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 42 67.481 4.323 -3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 42 69.738 4.569 -4.323 1.00 0.00 H new ATOM 0 HD3 ARG A 42 69.121 2.930 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 42 68.935 3.093 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 42 71.287 4.897 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 42 70.679 6.338 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 42 67.320 5.528 -7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 42 68.453 6.692 -7.782 1.00 0.00 H new ATOM 680 N LEU A 43 63.566 2.243 -4.219 1.00 0.00 N ATOM 681 CA LEU A 43 62.295 1.733 -4.741 1.00 0.00 C ATOM 682 C LEU A 43 61.307 2.880 -4.941 1.00 0.00 C ATOM 683 O LEU A 43 61.456 3.949 -4.348 1.00 0.00 O ATOM 684 CB LEU A 43 61.684 0.694 -3.785 1.00 0.00 C ATOM 685 CG LEU A 43 62.407 0.728 -2.433 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.548 0.017 -1.382 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.771 0.029 -2.548 1.00 0.00 C ATOM 0 H LEU A 43 63.475 2.876 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 43 62.495 1.253 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 43 60.623 0.899 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 43 61.761 -0.302 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 43 62.566 1.764 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.059 0.039 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 43 60.587 0.523 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.387 -1.018 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.277 0.058 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 43 63.624 -1.008 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 43 64.380 0.541 -3.293 1.00 0.00 H new ATOM 699 N ILE A 44 60.301 2.649 -5.778 1.00 0.00 N ATOM 700 CA ILE A 44 59.288 3.667 -6.051 1.00 0.00 C ATOM 701 C ILE A 44 57.891 3.042 -6.048 1.00 0.00 C ATOM 702 O ILE A 44 57.699 1.928 -6.535 1.00 0.00 O ATOM 703 CB ILE A 44 59.577 4.331 -7.401 1.00 0.00 C ATOM 704 CG1 ILE A 44 58.436 5.291 -7.761 1.00 0.00 C ATOM 705 CG2 ILE A 44 59.718 3.260 -8.492 1.00 0.00 C ATOM 706 CD1 ILE A 44 58.934 6.298 -8.800 1.00 0.00 C ATOM 0 H ILE A 44 60.164 1.771 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 44 59.323 4.425 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 44 60.509 4.891 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 44 57.587 4.733 -8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 44 58.089 5.812 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 44 59.923 3.740 -9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 44 60.539 2.589 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.792 2.690 -8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 44 58.127 6.983 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 44 59.770 6.863 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 44 59.260 5.767 -9.694 1.00 0.00 H new ATOM 718 N PHE A 45 56.920 3.761 -5.484 1.00 0.00 N ATOM 719 CA PHE A 45 55.545 3.259 -5.411 1.00 0.00 C ATOM 720 C PHE A 45 54.554 4.287 -5.956 1.00 0.00 C ATOM 721 O PHE A 45 54.627 5.471 -5.625 1.00 0.00 O ATOM 722 CB PHE A 45 55.196 2.929 -3.952 1.00 0.00 C ATOM 723 CG PHE A 45 53.698 2.982 -3.750 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.910 1.865 -4.047 1.00 0.00 C ATOM 725 CD2 PHE A 45 53.101 4.153 -3.266 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.522 1.917 -3.860 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.714 4.206 -3.079 1.00 0.00 C ATOM 728 CZ PHE A 45 50.926 3.088 -3.376 1.00 0.00 C ATOM 0 H PHE A 45 57.057 4.685 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 45 55.475 2.359 -6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.570 1.938 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.686 3.637 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.371 0.963 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.710 5.015 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 45 50.913 1.055 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 45 51.253 5.109 -2.706 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.856 3.129 -3.232 1.00 0.00 H new ATOM 738 N ALA A 46 53.622 3.816 -6.781 1.00 0.00 N ATOM 739 CA ALA A 46 52.603 4.687 -7.357 1.00 0.00 C ATOM 740 C ALA A 46 53.228 5.961 -7.916 1.00 0.00 C ATOM 741 O ALA A 46 52.622 7.031 -7.873 1.00 0.00 O ATOM 742 CB ALA A 46 51.569 5.046 -6.290 1.00 0.00 C ATOM 0 H ALA A 46 53.552 2.839 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 46 52.117 4.154 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 46 50.810 5.697 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.098 4.136 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.061 5.562 -5.466 1.00 0.00 H new ATOM 748 N GLY A 47 54.440 5.838 -8.440 1.00 0.00 N ATOM 749 CA GLY A 47 55.137 6.987 -9.004 1.00 0.00 C ATOM 750 C GLY A 47 55.867 7.765 -7.916 1.00 0.00 C ATOM 751 O GLY A 47 56.807 8.509 -8.195 1.00 0.00 O ATOM 0 H GLY A 47 54.958 4.961 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 55.849 6.652 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.424 7.639 -9.507 1.00 0.00 H new ATOM 755 N LYS A 48 55.433 7.582 -6.673 1.00 0.00 N ATOM 756 CA LYS A 48 56.060 8.270 -5.551 1.00 0.00 C ATOM 757 C LYS A 48 57.337 7.541 -5.144 1.00 0.00 C ATOM 758 O LYS A 48 57.297 6.392 -4.707 1.00 0.00 O ATOM 759 CB LYS A 48 55.091 8.330 -4.368 1.00 0.00 C ATOM 760 CG LYS A 48 53.714 8.799 -4.856 1.00 0.00 C ATOM 761 CD LYS A 48 52.929 9.424 -3.694 1.00 0.00 C ATOM 762 CE LYS A 48 52.436 8.328 -2.739 1.00 0.00 C ATOM 763 NZ LYS A 48 50.948 8.257 -2.793 1.00 0.00 N ATOM 0 H LYS A 48 54.658 6.970 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 48 56.313 9.287 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 48 55.008 7.348 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.471 9.012 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 48 53.832 9.527 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 48 53.159 7.956 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 48 53.562 10.129 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 48 52.081 9.989 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 52.867 7.367 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 52.764 8.542 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 50.612 7.515 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 50.546 9.173 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 50.646 8.034 -3.763 1.00 0.00 H new ATOM 777 N GLN A 49 58.472 8.213 -5.308 1.00 0.00 N ATOM 778 CA GLN A 49 59.761 7.618 -4.977 1.00 0.00 C ATOM 779 C GLN A 49 59.945 7.477 -3.469 1.00 0.00 C ATOM 780 O GLN A 49 59.919 8.466 -2.736 1.00 0.00 O ATOM 781 CB GLN A 49 60.895 8.480 -5.548 1.00 0.00 C ATOM 782 CG GLN A 49 60.554 9.969 -5.385 1.00 0.00 C ATOM 783 CD GLN A 49 59.876 10.500 -6.646 1.00 0.00 C ATOM 784 OE1 GLN A 49 58.724 10.160 -6.924 1.00 0.00 O ATOM 785 NE2 GLN A 49 60.525 11.318 -7.431 1.00 0.00 N ATOM 0 H GLN A 49 58.525 9.166 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 49 59.789 6.622 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.829 8.254 -5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 49 61.046 8.246 -6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 49 59.897 10.106 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.463 10.537 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 49 61.478 11.598 -7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 49 60.079 11.676 -8.275 1.00 0.00 H new ATOM 794 N LEU A 50 60.161 6.242 -3.018 1.00 0.00 N ATOM 795 CA LEU A 50 60.381 5.987 -1.600 1.00 0.00 C ATOM 796 C LEU A 50 61.823 6.391 -1.257 1.00 0.00 C ATOM 797 O LEU A 50 62.789 5.850 -1.797 1.00 0.00 O ATOM 798 CB LEU A 50 60.094 4.508 -1.289 1.00 0.00 C ATOM 799 CG LEU A 50 58.606 4.205 -1.580 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.273 2.768 -1.160 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.714 5.188 -0.819 1.00 0.00 C ATOM 0 H LEU A 50 60.188 5.411 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 50 59.703 6.577 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.733 3.866 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.324 4.292 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 50 58.425 4.315 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.223 2.562 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.897 2.071 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.462 2.648 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.667 4.968 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.897 5.092 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.941 6.206 -1.136 1.00 0.00 H new ATOM 813 N GLU A 51 61.926 7.426 -0.427 1.00 0.00 N ATOM 814 CA GLU A 51 63.208 8.043 -0.057 1.00 0.00 C ATOM 815 C GLU A 51 63.934 7.433 1.149 1.00 0.00 C ATOM 816 O GLU A 51 63.624 6.356 1.644 1.00 0.00 O ATOM 817 CB GLU A 51 62.972 9.527 0.219 1.00 0.00 C ATOM 818 CG GLU A 51 62.077 10.105 -0.877 1.00 0.00 C ATOM 819 CD GLU A 51 62.068 11.627 -0.798 1.00 0.00 C ATOM 820 OE1 GLU A 51 63.130 12.214 -0.934 1.00 0.00 O ATOM 821 OE2 GLU A 51 61.001 12.184 -0.604 1.00 0.00 O ATOM 0 H GLU A 51 61.119 7.867 0.014 1.00 0.00 H new ATOM 0 HA GLU A 51 63.866 7.860 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 51 62.504 9.658 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.923 10.060 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.435 9.786 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.062 9.722 -0.769 1.00 0.00 H new ATOM 828 N ASP A 52 64.932 8.203 1.568 1.00 0.00 N ATOM 829 CA ASP A 52 65.836 7.925 2.688 1.00 0.00 C ATOM 830 C ASP A 52 65.148 7.439 3.955 1.00 0.00 C ATOM 831 O ASP A 52 65.781 7.394 5.010 1.00 0.00 O ATOM 832 CB ASP A 52 66.631 9.180 3.028 1.00 0.00 C ATOM 833 CG ASP A 52 67.208 9.791 1.756 1.00 0.00 C ATOM 834 OD1 ASP A 52 68.196 9.270 1.267 1.00 0.00 O ATOM 835 OD2 ASP A 52 66.653 10.772 1.289 1.00 0.00 O ATOM 0 H ASP A 52 65.148 9.089 1.112 1.00 0.00 H new ATOM 0 HA ASP A 52 66.477 7.112 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 52 65.988 9.903 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.436 8.934 3.721 1.00 0.00 H new ATOM 840 N GLY A 53 63.864 7.148 3.896 1.00 0.00 N ATOM 841 CA GLY A 53 63.143 6.759 5.101 1.00 0.00 C ATOM 842 C GLY A 53 62.003 7.705 5.415 1.00 0.00 C ATOM 843 O GLY A 53 61.720 8.021 6.571 1.00 0.00 O ATOM 0 H GLY A 53 63.302 7.171 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.752 5.749 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 53 63.834 6.733 5.944 1.00 0.00 H new ATOM 847 N ARG A 54 61.268 8.030 4.352 1.00 0.00 N ATOM 848 CA ARG A 54 60.049 8.799 4.483 1.00 0.00 C ATOM 849 C ARG A 54 59.037 7.753 4.879 1.00 0.00 C ATOM 850 O ARG A 54 59.216 6.587 4.529 1.00 0.00 O ATOM 851 CB ARG A 54 59.640 9.437 3.140 1.00 0.00 C ATOM 852 CG ARG A 54 59.507 10.957 3.300 1.00 0.00 C ATOM 853 CD ARG A 54 60.883 11.587 3.560 1.00 0.00 C ATOM 854 NE ARG A 54 60.969 12.888 2.894 1.00 0.00 N ATOM 855 CZ ARG A 54 61.358 13.990 3.543 1.00 0.00 C ATOM 856 NH1 ARG A 54 61.449 13.995 4.846 1.00 0.00 N ATOM 857 NH2 ARG A 54 61.640 15.074 2.872 1.00 0.00 N ATOM 0 H ARG A 54 61.502 7.769 3.394 1.00 0.00 H new ATOM 0 HA ARG A 54 60.144 9.622 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.384 9.207 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.694 9.015 2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.066 11.387 2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.833 11.185 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 54 61.041 11.706 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 54 61.670 10.928 3.193 1.00 0.00 H new ATOM 0 HE ARG A 54 60.725 12.955 1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 54 61.222 13.154 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 54 61.747 14.840 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 54 61.563 15.079 1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 54 61.937 15.916 3.365 1.00 0.00 H new ATOM 871 N THR A 55 58.010 8.088 5.631 1.00 0.00 N ATOM 872 CA THR A 55 57.110 7.023 6.024 1.00 0.00 C ATOM 873 C THR A 55 56.148 6.668 4.901 1.00 0.00 C ATOM 874 O THR A 55 55.639 7.531 4.194 1.00 0.00 O ATOM 875 CB THR A 55 56.330 7.473 7.246 1.00 0.00 C ATOM 876 OG1 THR A 55 57.195 7.501 8.372 1.00 0.00 O ATOM 877 CG2 THR A 55 55.173 6.517 7.517 1.00 0.00 C ATOM 0 H THR A 55 57.784 9.025 5.965 1.00 0.00 H new ATOM 0 HA THR A 55 57.696 6.133 6.252 1.00 0.00 H new ATOM 0 HB THR A 55 55.928 8.470 7.063 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.694 7.793 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.622 6.852 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.506 6.500 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 55 55.563 5.515 7.693 1.00 0.00 H new ATOM 885 N LEU A 56 55.900 5.371 4.783 1.00 0.00 N ATOM 886 CA LEU A 56 54.987 4.835 3.788 1.00 0.00 C ATOM 887 C LEU A 56 53.522 5.004 4.178 1.00 0.00 C ATOM 888 O LEU A 56 52.661 5.153 3.311 1.00 0.00 O ATOM 889 CB LEU A 56 55.333 3.385 3.497 1.00 0.00 C ATOM 890 CG LEU A 56 56.056 3.300 2.141 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.289 4.198 2.164 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.487 1.853 1.859 1.00 0.00 C ATOM 0 H LEU A 56 56.328 4.661 5.377 1.00 0.00 H new ATOM 0 HA LEU A 56 55.114 5.415 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.968 2.985 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.427 2.779 3.478 1.00 0.00 H new ATOM 0 HG LEU A 56 55.374 3.628 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.801 4.138 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 56 56.985 5.228 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 56 57.963 3.870 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 56.997 1.806 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.162 1.515 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.608 1.210 1.835 1.00 0.00 H new ATOM 904 N SER A 57 53.226 4.970 5.472 1.00 0.00 N ATOM 905 CA SER A 57 51.841 5.113 5.891 1.00 0.00 C ATOM 906 C SER A 57 51.323 6.388 5.279 1.00 0.00 C ATOM 907 O SER A 57 50.157 6.494 4.902 1.00 0.00 O ATOM 908 CB SER A 57 51.724 5.186 7.414 1.00 0.00 C ATOM 909 OG SER A 57 50.465 5.747 7.757 1.00 0.00 O ATOM 0 H SER A 57 53.902 4.849 6.226 1.00 0.00 H new ATOM 0 HA SER A 57 51.263 4.249 5.564 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.823 4.190 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.531 5.793 7.824 1.00 0.00 H new ATOM 0 HG SER A 57 50.383 5.795 8.732 1.00 0.00 H new ATOM 915 N ASP A 58 52.240 7.344 5.126 1.00 0.00 N ATOM 916 CA ASP A 58 51.924 8.612 4.490 1.00 0.00 C ATOM 917 C ASP A 58 51.751 8.377 2.993 1.00 0.00 C ATOM 918 O ASP A 58 50.977 9.062 2.324 1.00 0.00 O ATOM 919 CB ASP A 58 53.050 9.624 4.731 1.00 0.00 C ATOM 920 CG ASP A 58 52.950 10.185 6.145 1.00 0.00 C ATOM 921 OD1 ASP A 58 51.880 10.654 6.500 1.00 0.00 O ATOM 922 OD2 ASP A 58 53.943 10.140 6.852 1.00 0.00 O ATOM 0 H ASP A 58 53.208 7.259 5.436 1.00 0.00 H new ATOM 0 HA ASP A 58 51.004 9.014 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 58 54.018 9.144 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 58 52.985 10.433 4.004 1.00 0.00 H new ATOM 927 N TYR A 59 52.479 7.379 2.482 1.00 0.00 N ATOM 928 CA TYR A 59 52.404 7.026 1.069 1.00 0.00 C ATOM 929 C TYR A 59 51.149 6.199 0.840 1.00 0.00 C ATOM 930 O TYR A 59 50.903 5.701 -0.260 1.00 0.00 O ATOM 931 CB TYR A 59 53.651 6.245 0.645 1.00 0.00 C ATOM 932 CG TYR A 59 54.753 7.226 0.394 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.115 8.127 1.397 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.397 7.253 -0.842 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.129 9.063 1.164 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.410 8.194 -1.079 1.00 0.00 C ATOM 937 CZ TYR A 59 56.777 9.096 -0.075 1.00 0.00 C ATOM 938 OH TYR A 59 57.772 10.027 -0.308 1.00 0.00 O ATOM 0 H TYR A 59 53.123 6.806 3.027 1.00 0.00 H new ATOM 0 HA TYR A 59 52.359 7.932 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 59 53.940 5.539 1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.448 5.663 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 59 54.613 8.102 2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 59 55.117 6.552 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 59 56.411 9.759 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 59 56.907 8.222 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 59 58.119 9.914 -1.217 1.00 0.00 H new ATOM 948 N ASN A 60 50.353 6.071 1.901 1.00 0.00 N ATOM 949 CA ASN A 60 49.111 5.319 1.835 1.00 0.00 C ATOM 950 C ASN A 60 49.364 3.932 1.270 1.00 0.00 C ATOM 951 O ASN A 60 48.625 3.466 0.401 1.00 0.00 O ATOM 952 CB ASN A 60 48.096 6.054 0.956 1.00 0.00 C ATOM 953 CG ASN A 60 46.701 5.475 1.169 1.00 0.00 C ATOM 954 OD1 ASN A 60 46.490 4.685 2.089 1.00 0.00 O ATOM 955 ND2 ASN A 60 45.732 5.821 0.365 1.00 0.00 N ATOM 0 H ASN A 60 50.550 6.480 2.814 1.00 0.00 H new ATOM 0 HA ASN A 60 48.710 5.224 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.097 7.117 1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 60 48.379 5.964 -0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 60 44.797 5.436 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 60 45.910 6.476 -0.396 1.00 0.00 H new ATOM 962 N ILE A 61 50.413 3.274 1.747 1.00 0.00 N ATOM 963 CA ILE A 61 50.725 1.948 1.242 1.00 0.00 C ATOM 964 C ILE A 61 49.619 0.965 1.597 1.00 0.00 C ATOM 965 O ILE A 61 49.039 0.995 2.682 1.00 0.00 O ATOM 966 CB ILE A 61 52.061 1.437 1.757 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.188 2.312 1.207 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.269 -0.012 1.292 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.087 2.450 -0.318 1.00 0.00 C ATOM 0 H ILE A 61 51.046 3.627 2.464 1.00 0.00 H new ATOM 0 HA ILE A 61 50.799 2.030 0.158 1.00 0.00 H new ATOM 0 HB ILE A 61 52.068 1.475 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.144 3.299 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.152 1.878 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.227 -0.379 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.466 -0.638 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.262 -0.049 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 61 53.901 3.077 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.156 1.464 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.132 2.907 -0.580 1.00 0.00 H new ATOM 981 N GLN A 62 49.313 0.139 0.608 1.00 0.00 N ATOM 982 CA GLN A 62 48.243 -0.842 0.688 1.00 0.00 C ATOM 983 C GLN A 62 48.725 -2.260 0.978 1.00 0.00 C ATOM 984 O GLN A 62 49.893 -2.520 1.257 1.00 0.00 O ATOM 985 CB GLN A 62 47.459 -0.846 -0.623 1.00 0.00 C ATOM 986 CG GLN A 62 48.413 -1.099 -1.790 1.00 0.00 C ATOM 987 CD GLN A 62 47.644 -1.075 -3.107 1.00 0.00 C ATOM 988 OE1 GLN A 62 47.728 -2.018 -3.893 1.00 0.00 O ATOM 989 NE2 GLN A 62 46.895 -0.047 -3.397 1.00 0.00 N ATOM 0 H GLN A 62 49.808 0.132 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 62 47.617 -0.543 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 62 46.689 -1.617 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 62 46.950 0.108 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 62 49.195 -0.340 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 62 48.906 -2.063 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 62 46.826 0.734 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 62 46.378 -0.024 -4.276 1.00 0.00 H new ATOM 998 N LYS A 63 47.739 -3.136 0.901 1.00 0.00 N ATOM 999 CA LYS A 63 47.832 -4.578 1.118 1.00 0.00 C ATOM 1000 C LYS A 63 49.072 -5.265 0.521 1.00 0.00 C ATOM 1001 O LYS A 63 48.979 -6.430 0.164 1.00 0.00 O ATOM 1002 CB LYS A 63 46.566 -5.245 0.571 1.00 0.00 C ATOM 1003 CG LYS A 63 45.412 -5.012 1.548 1.00 0.00 C ATOM 1004 CD LYS A 63 44.091 -5.410 0.890 1.00 0.00 C ATOM 1005 CE LYS A 63 42.932 -5.018 1.809 1.00 0.00 C ATOM 1006 NZ LYS A 63 42.919 -5.910 3.004 1.00 0.00 N ATOM 0 H LYS A 63 46.789 -2.845 0.671 1.00 0.00 H new ATOM 0 HA LYS A 63 47.933 -4.704 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 46.318 -4.834 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.733 -6.314 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.568 -5.596 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 63 45.380 -3.964 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 63 43.988 -4.915 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 63 44.074 -6.483 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.036 -3.978 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 63 41.986 -5.097 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.033 -5.771 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 42.988 -6.902 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 43.727 -5.680 3.618 1.00 0.00 H new ATOM 1020 N GLU A 64 50.205 -4.563 0.384 1.00 0.00 N ATOM 1021 CA GLU A 64 51.421 -5.158 -0.218 1.00 0.00 C ATOM 1022 C GLU A 64 51.533 -4.911 -1.719 1.00 0.00 C ATOM 1023 O GLU A 64 51.715 -5.815 -2.532 1.00 0.00 O ATOM 1024 CB GLU A 64 51.492 -6.673 0.078 1.00 0.00 C ATOM 1025 CG GLU A 64 50.691 -7.510 -0.954 1.00 0.00 C ATOM 1026 CD GLU A 64 51.633 -8.287 -1.868 1.00 0.00 C ATOM 1027 OE1 GLU A 64 52.476 -8.999 -1.351 1.00 0.00 O ATOM 1028 OE2 GLU A 64 51.491 -8.163 -3.074 1.00 0.00 O ATOM 0 H GLU A 64 50.312 -3.592 0.676 1.00 0.00 H new ATOM 0 HA GLU A 64 52.268 -4.655 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 52.534 -6.994 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 64 51.104 -6.865 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 64 50.029 -8.202 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 50.059 -6.852 -1.550 1.00 0.00 H new ATOM 1035 N SER A 65 51.470 -3.628 -2.035 1.00 0.00 N ATOM 1036 CA SER A 65 51.606 -3.124 -3.393 1.00 0.00 C ATOM 1037 C SER A 65 52.965 -3.481 -3.997 1.00 0.00 C ATOM 1038 O SER A 65 53.947 -3.677 -3.280 1.00 0.00 O ATOM 1039 CB SER A 65 51.502 -1.608 -3.347 1.00 0.00 C ATOM 1040 OG SER A 65 52.087 -1.136 -2.141 1.00 0.00 O ATOM 0 H SER A 65 51.320 -2.894 -1.343 1.00 0.00 H new ATOM 0 HA SER A 65 50.824 -3.573 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 65 52.009 -1.170 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.458 -1.301 -3.403 1.00 0.00 H new ATOM 0 HG SER A 65 52.147 -0.158 -2.168 1.00 0.00 H new ATOM 1046 N THR A 66 53.008 -3.547 -5.324 1.00 0.00 N ATOM 1047 CA THR A 66 54.242 -3.864 -6.039 1.00 0.00 C ATOM 1048 C THR A 66 55.074 -2.600 -6.267 1.00 0.00 C ATOM 1049 O THR A 66 54.577 -1.610 -6.806 1.00 0.00 O ATOM 1050 CB THR A 66 53.900 -4.492 -7.392 1.00 0.00 C ATOM 1051 OG1 THR A 66 54.974 -4.277 -8.299 1.00 0.00 O ATOM 1052 CG2 THR A 66 52.627 -3.849 -7.944 1.00 0.00 C ATOM 0 H THR A 66 52.202 -3.385 -5.928 1.00 0.00 H new ATOM 0 HA THR A 66 54.822 -4.564 -5.438 1.00 0.00 H new ATOM 0 HB THR A 66 53.740 -5.563 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 66 54.756 -4.680 -9.165 1.00 0.00 H new ATOM 0 HG21 THR A 66 52.382 -4.295 -8.908 1.00 0.00 H new ATOM 0 HG22 THR A 66 51.805 -4.015 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 66 52.786 -2.778 -8.070 1.00 0.00 H new ATOM 1060 N LEU A 67 56.342 -2.641 -5.855 1.00 0.00 N ATOM 1061 CA LEU A 67 57.236 -1.493 -6.022 1.00 0.00 C ATOM 1062 C LEU A 67 58.120 -1.684 -7.253 1.00 0.00 C ATOM 1063 O LEU A 67 58.686 -2.758 -7.460 1.00 0.00 O ATOM 1064 CB LEU A 67 58.124 -1.330 -4.780 1.00 0.00 C ATOM 1065 CG LEU A 67 57.341 -0.637 -3.659 1.00 0.00 C ATOM 1066 CD1 LEU A 67 55.974 -1.303 -3.481 1.00 0.00 C ATOM 1067 CD2 LEU A 67 58.128 -0.747 -2.352 1.00 0.00 C ATOM 0 H LEU A 67 56.771 -3.450 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 67 56.627 -0.599 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.472 -2.306 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 67 59.009 -0.746 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 67 57.196 0.411 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 67 55.427 -0.803 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.409 -1.228 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 67 56.112 -2.353 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 67 57.575 -0.255 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 58.272 -1.798 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 59.099 -0.266 -2.470 1.00 0.00 H new ATOM 1079 N HIS A 68 58.239 -0.636 -8.063 1.00 0.00 N ATOM 1080 CA HIS A 68 59.062 -0.702 -9.266 1.00 0.00 C ATOM 1081 C HIS A 68 60.515 -0.374 -8.930 1.00 0.00 C ATOM 1082 O HIS A 68 60.799 0.604 -8.240 1.00 0.00 O ATOM 1083 CB HIS A 68 58.527 0.279 -10.319 1.00 0.00 C ATOM 1084 CG HIS A 68 59.599 0.593 -11.330 1.00 0.00 C ATOM 1085 ND1 HIS A 68 60.137 1.862 -11.466 1.00 0.00 N ATOM 1086 CD2 HIS A 68 60.240 -0.187 -12.261 1.00 0.00 C ATOM 1087 CE1 HIS A 68 61.057 1.811 -12.447 1.00 0.00 C ATOM 1088 NE2 HIS A 68 61.160 0.584 -12.966 1.00 0.00 N ATOM 0 H HIS A 68 57.780 0.262 -7.910 1.00 0.00 H new ATOM 0 HA HIS A 68 59.018 -1.714 -9.670 1.00 0.00 H new ATOM 0 HB2 HIS A 68 57.660 -0.151 -10.820 1.00 0.00 H new ATOM 0 HB3 HIS A 68 58.193 1.197 -9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 68 60.058 -1.239 -12.422 1.00 0.00 H new ATOM 0 HE1 HIS A 68 61.641 2.658 -12.775 1.00 0.00 H new ATOM 0 HE2 HIS A 68 61.779 0.278 -13.717 1.00 0.00 H new ATOM 1096 N LEU A 69 61.433 -1.201 -9.419 1.00 0.00 N ATOM 1097 CA LEU A 69 62.851 -0.989 -9.161 1.00 0.00 C ATOM 1098 C LEU A 69 63.451 -0.050 -10.202 1.00 0.00 C ATOM 1099 O LEU A 69 62.848 0.201 -11.246 1.00 0.00 O ATOM 1100 CB LEU A 69 63.591 -2.329 -9.189 1.00 0.00 C ATOM 1101 CG LEU A 69 63.170 -3.186 -7.985 1.00 0.00 C ATOM 1102 CD1 LEU A 69 63.306 -4.671 -8.334 1.00 0.00 C ATOM 1103 CD2 LEU A 69 64.072 -2.869 -6.788 1.00 0.00 C ATOM 0 H LEU A 69 61.222 -2.018 -9.992 1.00 0.00 H new ATOM 0 HA LEU A 69 62.959 -0.535 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.370 -2.857 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.668 -2.160 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 69 62.133 -2.963 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 69 63.006 -5.275 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 62.666 -4.905 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.343 -4.891 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.772 -3.478 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.108 -3.090 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.979 -1.814 -6.531 1.00 0.00 H new ATOM 1115 N VAL A 70 64.638 0.473 -9.904 1.00 0.00 N ATOM 1116 CA VAL A 70 65.316 1.393 -10.815 1.00 0.00 C ATOM 1117 C VAL A 70 66.681 0.849 -11.221 1.00 0.00 C ATOM 1118 O VAL A 70 67.236 -0.026 -10.556 1.00 0.00 O ATOM 1119 CB VAL A 70 65.489 2.751 -10.137 1.00 0.00 C ATOM 1120 CG1 VAL A 70 64.124 3.426 -9.996 1.00 0.00 C ATOM 1121 CG2 VAL A 70 66.105 2.552 -8.750 1.00 0.00 C ATOM 0 H VAL A 70 65.149 0.277 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 70 64.706 1.502 -11.712 1.00 0.00 H new ATOM 0 HB VAL A 70 66.145 3.379 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 70 64.246 4.395 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 70 63.684 3.566 -10.983 1.00 0.00 H new ATOM 0 HG13 VAL A 70 63.469 2.799 -9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 70 66.229 3.520 -8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 70 65.448 1.925 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 70 67.077 2.069 -8.849 1.00 0.00 H new ATOM 1131 N LEU A 71 67.217 1.377 -12.316 1.00 0.00 N ATOM 1132 CA LEU A 71 68.520 0.941 -12.804 1.00 0.00 C ATOM 1133 C LEU A 71 69.527 0.889 -11.661 1.00 0.00 C ATOM 1134 O LEU A 71 69.923 -0.189 -11.217 1.00 0.00 O ATOM 1135 CB LEU A 71 69.021 1.909 -13.881 1.00 0.00 C ATOM 1136 CG LEU A 71 68.014 1.966 -15.040 1.00 0.00 C ATOM 1137 CD1 LEU A 71 68.094 3.334 -15.725 1.00 0.00 C ATOM 1138 CD2 LEU A 71 68.342 0.873 -16.062 1.00 0.00 C ATOM 0 H LEU A 71 66.773 2.102 -12.879 1.00 0.00 H new ATOM 0 HA LEU A 71 68.415 -0.057 -13.229 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.155 2.903 -13.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.995 1.586 -14.249 1.00 0.00 H new ATOM 0 HG LEU A 71 67.009 1.811 -14.648 1.00 0.00 H new ATOM 0 HD11 LEU A 71 67.379 3.372 -16.547 1.00 0.00 H new ATOM 0 HD12 LEU A 71 67.859 4.117 -15.003 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.101 3.488 -16.113 1.00 0.00 H new ATOM 0 HD21 LEU A 71 67.626 0.916 -16.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.349 1.028 -16.450 1.00 0.00 H new ATOM 0 HD23 LEU A 71 68.285 -0.104 -15.581 1.00 0.00 H new ATOM 1150 N ARG A 72 69.937 2.063 -11.189 1.00 0.00 N ATOM 1151 CA ARG A 72 70.898 2.146 -10.096 1.00 0.00 C ATOM 1152 C ARG A 72 70.416 1.336 -8.895 1.00 0.00 C ATOM 1153 O ARG A 72 69.437 0.622 -9.042 1.00 0.00 O ATOM 1154 CB ARG A 72 71.092 3.606 -9.685 1.00 0.00 C ATOM 1155 CG ARG A 72 71.769 4.372 -10.825 1.00 0.00 C ATOM 1156 CD ARG A 72 71.929 5.842 -10.433 1.00 0.00 C ATOM 1157 NE ARG A 72 70.639 6.412 -10.063 1.00 0.00 N ATOM 1158 CZ ARG A 72 69.822 6.925 -10.980 1.00 0.00 C ATOM 1159 NH1 ARG A 72 68.962 6.156 -11.590 1.00 0.00 N ATOM 1160 NH2 ARG A 72 69.881 8.196 -11.269 1.00 0.00 N ATOM 1161 OXT ARG A 72 71.034 1.438 -7.848 1.00 0.00 O ATOM 0 H ARG A 72 69.620 2.965 -11.545 1.00 0.00 H new ATOM 0 HA ARG A 72 71.848 1.735 -10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 72 70.129 4.060 -9.449 1.00 0.00 H new ATOM 0 HB3 ARG A 72 71.701 3.663 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 72 72.744 3.935 -11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 72 71.174 4.291 -11.735 1.00 0.00 H new ATOM 0 HD2 ARG A 72 72.625 5.929 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 72 72.356 6.402 -11.264 1.00 0.00 H new ATOM 0 HE ARG A 72 70.357 6.418 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 72 68.916 5.162 -11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 72 68.336 6.549 -12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 72 70.553 8.797 -10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 72 69.255 8.589 -11.972 1.00 0.00 H new TER 1175 ARG A 72