USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 557 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 41 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 50 TYR OH : rot 24:sc= 0.654 USER MOD Set 2.1: A 13 THR OG1 : rot 111:sc= -0.276 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -174:sc= 0.532 (180deg=-0.754) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 143:sc= -0.166 (180deg=-1.34!) USER MOD Single : A 10 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 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0483 K(o=-0.048,f=-2.2!) USER MOD Single : A 24 GLN : amide:sc= -3.95! C(o=-4!,f=-6.3!) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.142) USER MOD Single : A 28 LYS NZ :NH3+ 143:sc= -0.122 (180deg=-0.897) USER MOD Single : A 29 ASN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 31 MET CE :methyl 165:sc= -2.67 (180deg=-3.47!) USER MOD Single : A 33 HIS : no HD1:sc= -4.33 X(o=-4.3,f=-4.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -114:sc= 0.173 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.619 K(o=-0.62,f=-9.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 117:sc= -3.55! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.575 K(o=-0.58,f=-4!) USER MOD Single : A 60 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 81 SER OG : rot -51:sc= 0.464 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 21.875 -4.740 -7.071 1.00 0.00 N ATOM 18 CA LYS A 2 20.451 -4.702 -6.631 1.00 0.00 C ATOM 19 C LYS A 2 20.170 -3.411 -5.859 1.00 0.00 C ATOM 20 O LYS A 2 20.514 -3.282 -4.700 1.00 0.00 O ATOM 21 CB LYS A 2 20.283 -5.920 -5.723 1.00 0.00 C ATOM 22 CG LYS A 2 20.161 -7.182 -6.579 1.00 0.00 C ATOM 23 CD LYS A 2 19.170 -8.149 -5.929 1.00 0.00 C ATOM 24 CE LYS A 2 19.798 -9.543 -5.844 1.00 0.00 C ATOM 25 NZ LYS A 2 18.701 -10.434 -5.374 1.00 0.00 N ATOM 0 HA LYS A 2 19.758 -4.724 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.136 -6.005 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.396 -5.803 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.825 -6.922 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.136 -7.659 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.903 -7.797 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.249 -8.188 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.179 -9.864 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.640 -9.555 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.056 -11.408 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.363 -10.109 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.916 -10.408 -6.056 1.00 0.00 H new ATOM 39 N ALA A 3 19.550 -2.454 -6.492 1.00 0.00 N ATOM 40 CA ALA A 3 19.248 -1.170 -5.794 1.00 0.00 C ATOM 41 C ALA A 3 17.888 -1.252 -5.096 1.00 0.00 C ATOM 42 O ALA A 3 16.957 -1.854 -5.595 1.00 0.00 O ATOM 43 CB ALA A 3 19.222 -0.117 -6.901 1.00 0.00 C ATOM 0 H ALA A 3 19.239 -2.504 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 3 19.983 -0.935 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.005 0.860 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.192 -0.087 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.450 -0.372 -7.627 1.00 0.00 H new ATOM 49 N SER A 4 17.766 -0.648 -3.946 1.00 0.00 N ATOM 50 CA SER A 4 16.467 -0.687 -3.214 1.00 0.00 C ATOM 51 C SER A 4 15.367 -0.032 -4.055 1.00 0.00 C ATOM 52 O SER A 4 15.437 -0.001 -5.268 1.00 0.00 O ATOM 53 CB SER A 4 16.713 0.113 -1.936 1.00 0.00 C ATOM 54 OG SER A 4 17.745 -0.510 -1.184 1.00 0.00 O ATOM 0 H SER A 4 18.510 -0.128 -3.481 1.00 0.00 H new ATOM 0 HA SER A 4 16.140 -1.705 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.994 1.137 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.799 0.167 -1.345 1.00 0.00 H new ATOM 0 HG SER A 4 17.907 0.002 -0.364 1.00 0.00 H new ATOM 60 N CYS A 5 14.353 0.494 -3.422 1.00 0.00 N ATOM 61 CA CYS A 5 13.252 1.147 -4.189 1.00 0.00 C ATOM 62 C CYS A 5 13.048 2.585 -3.709 1.00 0.00 C ATOM 63 O CYS A 5 13.859 3.134 -2.989 1.00 0.00 O ATOM 64 CB CYS A 5 12.006 0.311 -3.898 1.00 0.00 C ATOM 65 SG CYS A 5 11.900 -1.052 -5.082 1.00 0.00 S ATOM 0 H CYS A 5 14.239 0.500 -2.408 1.00 0.00 H new ATOM 0 HA CYS A 5 13.473 1.194 -5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 5 12.047 -0.080 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.114 0.934 -3.964 1.00 0.00 H new ATOM 70 N LYS A 6 11.964 3.196 -4.102 1.00 0.00 N ATOM 71 CA LYS A 6 11.695 4.597 -3.670 1.00 0.00 C ATOM 72 C LYS A 6 10.229 4.739 -3.255 1.00 0.00 C ATOM 73 O LYS A 6 9.346 4.799 -4.087 1.00 0.00 O ATOM 74 CB LYS A 6 11.989 5.455 -4.900 1.00 0.00 C ATOM 75 CG LYS A 6 11.412 6.858 -4.696 1.00 0.00 C ATOM 76 CD LYS A 6 12.274 7.879 -5.442 1.00 0.00 C ATOM 77 CE LYS A 6 11.987 9.283 -4.903 1.00 0.00 C ATOM 78 NZ LYS A 6 12.520 9.277 -3.512 1.00 0.00 N ATOM 0 H LYS A 6 11.252 2.785 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 6 12.303 4.894 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.065 5.514 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.553 4.997 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.386 6.897 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.382 7.099 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.330 7.639 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.062 7.838 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.475 10.046 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.919 9.500 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.941 10.203 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.746 9.086 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.246 8.537 -3.421 1.00 0.00 H new ATOM 92 N LEU A 7 9.969 4.790 -1.973 1.00 0.00 N ATOM 93 CA LEU A 7 8.561 4.924 -1.489 1.00 0.00 C ATOM 94 C LEU A 7 7.761 5.854 -2.411 1.00 0.00 C ATOM 95 O LEU A 7 7.845 7.059 -2.292 1.00 0.00 O ATOM 96 CB LEU A 7 8.686 5.535 -0.093 1.00 0.00 C ATOM 97 CG LEU A 7 9.510 6.821 -0.174 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.652 8.006 0.272 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.732 6.702 0.741 1.00 0.00 C ATOM 0 H LEU A 7 10.674 4.744 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 7 8.037 3.968 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.697 5.749 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.162 4.827 0.585 1.00 0.00 H new ATOM 0 HG LEU A 7 9.839 6.978 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.239 8.922 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.782 8.091 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.322 7.850 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.320 7.618 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.403 6.545 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.344 5.858 0.423 1.00 0.00 H new ATOM 111 N PRO A 8 7.012 5.263 -3.312 1.00 0.00 N ATOM 112 CA PRO A 8 6.198 6.054 -4.266 1.00 0.00 C ATOM 113 C PRO A 8 5.121 6.859 -3.534 1.00 0.00 C ATOM 114 O PRO A 8 4.450 7.687 -4.118 1.00 0.00 O ATOM 115 CB PRO A 8 5.565 4.972 -5.147 1.00 0.00 C ATOM 116 CG PRO A 8 6.041 3.591 -4.657 1.00 0.00 C ATOM 117 CD PRO A 8 6.936 3.785 -3.426 1.00 0.00 C ATOM 0 HA PRO A 8 6.780 6.786 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.478 5.035 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.848 5.121 -6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.185 2.964 -4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.591 3.079 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.503 3.331 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.920 3.338 -3.566 1.00 0.00 H new ATOM 125 N VAL A 9 4.942 6.622 -2.261 1.00 0.00 N ATOM 126 CA VAL A 9 3.897 7.378 -1.507 1.00 0.00 C ATOM 127 C VAL A 9 4.425 7.791 -0.129 1.00 0.00 C ATOM 128 O VAL A 9 5.466 7.342 0.308 1.00 0.00 O ATOM 129 CB VAL A 9 2.726 6.404 -1.360 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.454 7.184 -1.028 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.521 5.635 -2.668 1.00 0.00 C ATOM 0 H VAL A 9 5.470 5.943 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 9 3.605 8.293 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 9 2.946 5.699 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.619 6.491 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.594 7.728 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.241 7.890 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.686 4.943 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.305 6.337 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.426 5.076 -2.907 1.00 0.00 H new ATOM 141 N LYS A 10 3.710 8.641 0.561 1.00 0.00 N ATOM 142 CA LYS A 10 4.169 9.080 1.912 1.00 0.00 C ATOM 143 C LYS A 10 3.215 8.551 2.990 1.00 0.00 C ATOM 144 O LYS A 10 3.367 8.836 4.161 1.00 0.00 O ATOM 145 CB LYS A 10 4.148 10.614 1.862 1.00 0.00 C ATOM 146 CG LYS A 10 2.731 11.131 2.135 1.00 0.00 C ATOM 147 CD LYS A 10 2.509 12.444 1.381 1.00 0.00 C ATOM 148 CE LYS A 10 1.011 12.755 1.326 1.00 0.00 C ATOM 149 NZ LYS A 10 0.873 13.791 0.264 1.00 0.00 N ATOM 0 H LYS A 10 2.829 9.050 0.248 1.00 0.00 H new ATOM 0 HA LYS A 10 5.161 8.701 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.840 11.019 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.487 10.958 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.996 10.390 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.589 11.286 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.042 13.255 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.913 12.369 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.431 11.864 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.648 13.123 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.128 14.057 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.430 14.630 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.220 13.410 -0.640 1.00 0.00 H new ATOM 163 N LYS A 11 2.231 7.787 2.601 1.00 0.00 N ATOM 164 CA LYS A 11 1.267 7.244 3.598 1.00 0.00 C ATOM 165 C LYS A 11 0.646 5.947 3.073 1.00 0.00 C ATOM 166 O LYS A 11 -0.534 5.704 3.230 1.00 0.00 O ATOM 167 CB LYS A 11 0.198 8.329 3.743 1.00 0.00 C ATOM 168 CG LYS A 11 -0.336 8.334 5.176 1.00 0.00 C ATOM 169 CD LYS A 11 -1.406 9.419 5.316 1.00 0.00 C ATOM 170 CE LYS A 11 -0.920 10.494 6.292 1.00 0.00 C ATOM 171 NZ LYS A 11 -0.924 11.758 5.503 1.00 0.00 N ATOM 0 H LYS A 11 2.053 7.515 1.634 1.00 0.00 H new ATOM 0 HA LYS A 11 1.742 7.009 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.619 9.304 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.616 8.148 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.757 7.359 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.477 8.517 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.617 9.864 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.338 8.982 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.577 10.567 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.078 10.265 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.602 12.543 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.285 11.661 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.888 11.953 5.165 1.00 0.00 H new ATOM 185 N ALA A 12 1.433 5.116 2.446 1.00 0.00 N ATOM 186 CA ALA A 12 0.887 3.837 1.904 1.00 0.00 C ATOM 187 C ALA A 12 1.004 2.717 2.942 1.00 0.00 C ATOM 188 O ALA A 12 2.072 2.436 3.449 1.00 0.00 O ATOM 189 CB ALA A 12 1.750 3.525 0.681 1.00 0.00 C ATOM 0 H ALA A 12 2.429 5.266 2.285 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.170 3.919 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.411 2.595 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.665 4.337 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.791 3.420 0.987 1.00 0.00 H new ATOM 195 N THR A 13 -0.085 2.069 3.254 1.00 0.00 N ATOM 196 CA THR A 13 -0.035 0.960 4.250 1.00 0.00 C ATOM 197 C THR A 13 -0.080 -0.389 3.525 1.00 0.00 C ATOM 198 O THR A 13 -1.029 -0.699 2.832 1.00 0.00 O ATOM 199 CB THR A 13 -1.280 1.144 5.118 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.472 2.527 5.381 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.100 0.393 6.437 1.00 0.00 C ATOM 0 H THR A 13 -1.007 2.259 2.863 1.00 0.00 H new ATOM 0 HA THR A 13 0.877 0.977 4.846 1.00 0.00 H new ATOM 0 HB THR A 13 -2.150 0.749 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.270 2.842 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.988 0.525 7.055 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.953 -0.668 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.230 0.786 6.963 1.00 0.00 H new ATOM 209 N VAL A 14 0.940 -1.190 3.673 1.00 0.00 N ATOM 210 CA VAL A 14 0.950 -2.512 2.983 1.00 0.00 C ATOM 211 C VAL A 14 0.985 -3.651 4.004 1.00 0.00 C ATOM 212 O VAL A 14 1.113 -3.431 5.193 1.00 0.00 O ATOM 213 CB VAL A 14 2.228 -2.509 2.142 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.255 -1.258 1.261 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.447 -2.507 3.067 1.00 0.00 C ATOM 0 H VAL A 14 1.764 -0.988 4.239 1.00 0.00 H new ATOM 0 HA VAL A 14 0.058 -2.663 2.375 1.00 0.00 H new ATOM 0 HB VAL A 14 2.251 -3.398 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.165 -1.255 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.387 -1.258 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.233 -0.369 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.358 -2.505 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.424 -1.618 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.428 -3.397 3.696 1.00 0.00 H new ATOM 225 N VAL A 15 0.871 -4.868 3.548 1.00 0.00 N ATOM 226 CA VAL A 15 0.896 -6.025 4.487 1.00 0.00 C ATOM 227 C VAL A 15 2.173 -6.844 4.281 1.00 0.00 C ATOM 228 O VAL A 15 2.230 -7.725 3.446 1.00 0.00 O ATOM 229 CB VAL A 15 -0.334 -6.856 4.125 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.263 -8.208 4.835 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.597 -6.114 4.567 1.00 0.00 C ATOM 0 H VAL A 15 0.761 -5.112 2.564 1.00 0.00 H new ATOM 0 HA VAL A 15 0.883 -5.710 5.530 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.362 -7.013 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.140 -8.801 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.637 -8.737 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.235 -8.052 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.475 -6.706 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.568 -5.957 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.648 -5.150 4.062 1.00 0.00 H new ATOM 241 N TYR A 16 3.199 -6.559 5.033 1.00 0.00 N ATOM 242 CA TYR A 16 4.470 -7.320 4.875 1.00 0.00 C ATOM 243 C TYR A 16 4.409 -8.628 5.668 1.00 0.00 C ATOM 244 O TYR A 16 4.467 -8.633 6.881 1.00 0.00 O ATOM 245 CB TYR A 16 5.556 -6.402 5.436 1.00 0.00 C ATOM 246 CG TYR A 16 6.876 -6.726 4.780 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.415 -8.014 4.889 1.00 0.00 C ATOM 248 CD2 TYR A 16 7.562 -5.739 4.062 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.638 -8.315 4.279 1.00 0.00 C ATOM 250 CE2 TYR A 16 8.786 -6.040 3.452 1.00 0.00 C ATOM 251 CZ TYR A 16 9.323 -7.328 3.562 1.00 0.00 C ATOM 252 OH TYR A 16 10.529 -7.626 2.961 1.00 0.00 O ATOM 0 H TYR A 16 3.213 -5.833 5.749 1.00 0.00 H new ATOM 0 HA TYR A 16 4.661 -7.589 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.294 -5.359 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.633 -6.530 6.516 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.887 -8.775 5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.147 -4.745 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.053 -9.309 4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.315 -5.279 2.897 1.00 0.00 H new ATOM 0 HH TYR A 16 10.543 -8.572 2.707 1.00 0.00 H new ATOM 262 N GLN A 17 4.298 -9.737 4.992 1.00 0.00 N ATOM 263 CA GLN A 17 4.240 -11.045 5.704 1.00 0.00 C ATOM 264 C GLN A 17 3.083 -11.064 6.705 1.00 0.00 C ATOM 265 O GLN A 17 3.117 -11.768 7.694 1.00 0.00 O ATOM 266 CB GLN A 17 5.578 -11.156 6.430 1.00 0.00 C ATOM 267 CG GLN A 17 6.716 -11.135 5.409 1.00 0.00 C ATOM 268 CD GLN A 17 6.874 -12.528 4.795 1.00 0.00 C ATOM 269 OE1 GLN A 17 6.140 -13.438 5.126 1.00 0.00 O ATOM 270 NE2 GLN A 17 7.807 -12.732 3.907 1.00 0.00 N ATOM 0 H GLN A 17 4.245 -9.795 3.975 1.00 0.00 H new ATOM 0 HA GLN A 17 4.073 -11.877 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.691 -10.331 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.613 -12.078 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.506 -10.403 4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.645 -10.830 5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.423 -11.968 3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.921 -13.656 3.490 1.00 0.00 H new ATOM 279 N GLY A 18 2.055 -10.304 6.451 1.00 0.00 N ATOM 280 CA GLY A 18 0.894 -10.287 7.386 1.00 0.00 C ATOM 281 C GLY A 18 1.034 -9.123 8.370 1.00 0.00 C ATOM 282 O GLY A 18 0.306 -9.030 9.338 1.00 0.00 O ATOM 0 H GLY A 18 1.968 -9.694 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.035 -10.190 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.840 -11.230 7.930 1.00 0.00 H new ATOM 286 N GLU A 19 1.958 -8.233 8.134 1.00 0.00 N ATOM 287 CA GLU A 19 2.131 -7.079 9.065 1.00 0.00 C ATOM 288 C GLU A 19 1.620 -5.794 8.409 1.00 0.00 C ATOM 289 O GLU A 19 2.012 -5.448 7.313 1.00 0.00 O ATOM 290 CB GLU A 19 3.636 -6.988 9.322 1.00 0.00 C ATOM 291 CG GLU A 19 4.020 -7.945 10.452 1.00 0.00 C ATOM 292 CD GLU A 19 4.814 -7.184 11.516 1.00 0.00 C ATOM 293 OE1 GLU A 19 5.975 -6.902 11.270 1.00 0.00 O ATOM 294 OE2 GLU A 19 4.247 -6.897 12.557 1.00 0.00 O ATOM 0 H GLU A 19 2.599 -8.253 7.341 1.00 0.00 H new ATOM 0 HA GLU A 19 1.571 -7.211 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.186 -7.240 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.909 -5.967 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.124 -8.381 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.615 -8.769 10.059 1.00 0.00 H new ATOM 301 N ARG A 20 0.751 -5.084 9.074 1.00 0.00 N ATOM 302 CA ARG A 20 0.218 -3.820 8.489 1.00 0.00 C ATOM 303 C ARG A 20 1.072 -2.632 8.936 1.00 0.00 C ATOM 304 O ARG A 20 1.167 -2.330 10.109 1.00 0.00 O ATOM 305 CB ARG A 20 -1.203 -3.699 9.036 1.00 0.00 C ATOM 306 CG ARG A 20 -2.074 -4.812 8.450 1.00 0.00 C ATOM 307 CD ARG A 20 -3.546 -4.398 8.520 1.00 0.00 C ATOM 308 NE ARG A 20 -3.828 -4.234 9.973 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.776 -4.933 10.538 1.00 0.00 C ATOM 310 NH1 ARG A 20 -6.016 -4.774 10.166 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.481 -5.790 11.477 1.00 0.00 N ATOM 0 H ARG A 20 0.387 -5.323 9.996 1.00 0.00 H new ATOM 0 HA ARG A 20 0.233 -3.829 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.192 -3.767 10.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.620 -2.725 8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.788 -5.006 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.919 -5.739 9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.722 -3.470 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.191 -5.155 8.075 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.281 -3.576 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.247 -4.103 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.755 -5.321 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.511 -5.913 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.220 -6.337 11.919 1.00 0.00 H new ATOM 325 N VAL A 21 1.693 -1.954 8.009 1.00 0.00 N ATOM 326 CA VAL A 21 2.541 -0.786 8.383 1.00 0.00 C ATOM 327 C VAL A 21 2.610 0.210 7.222 1.00 0.00 C ATOM 328 O VAL A 21 2.219 -0.090 6.112 1.00 0.00 O ATOM 329 CB VAL A 21 3.923 -1.374 8.663 1.00 0.00 C ATOM 330 CG1 VAL A 21 3.854 -2.274 9.898 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.380 -2.198 7.457 1.00 0.00 C ATOM 0 H VAL A 21 1.650 -2.158 7.011 1.00 0.00 H new ATOM 0 HA VAL A 21 2.144 -0.247 9.243 1.00 0.00 H new ATOM 0 HB VAL A 21 4.632 -0.566 8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.840 -2.694 10.098 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.528 -1.688 10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.145 -3.082 9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.366 -2.618 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.671 -3.006 7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.429 -1.558 6.576 1.00 0.00 H new ATOM 341 N LYS A 22 3.106 1.390 7.471 1.00 0.00 N ATOM 342 CA LYS A 22 3.202 2.401 6.379 1.00 0.00 C ATOM 343 C LYS A 22 4.598 2.371 5.752 1.00 0.00 C ATOM 344 O LYS A 22 5.601 2.397 6.439 1.00 0.00 O ATOM 345 CB LYS A 22 2.945 3.745 7.061 1.00 0.00 C ATOM 346 CG LYS A 22 2.201 4.672 6.098 1.00 0.00 C ATOM 347 CD LYS A 22 0.767 4.172 5.911 1.00 0.00 C ATOM 348 CE LYS A 22 -0.113 4.704 7.046 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.452 4.930 6.430 1.00 0.00 N ATOM 0 H LYS A 22 3.449 1.698 8.381 1.00 0.00 H new ATOM 0 HA LYS A 22 2.491 2.211 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.358 3.598 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.889 4.198 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.194 5.690 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.715 4.703 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.378 4.504 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.749 3.082 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.173 3.989 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.292 5.628 7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.079 5.389 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.351 5.541 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.861 4.018 6.144 1.00 0.00 H new ATOM 363 N ILE A 23 4.671 2.312 4.451 1.00 0.00 N ATOM 364 CA ILE A 23 5.999 2.274 3.774 1.00 0.00 C ATOM 365 C ILE A 23 6.721 3.615 3.933 1.00 0.00 C ATOM 366 O ILE A 23 7.934 3.678 3.950 1.00 0.00 O ATOM 367 CB ILE A 23 5.679 2.015 2.302 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.982 1.884 1.513 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.863 3.184 1.747 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.668 1.803 0.019 1.00 0.00 C ATOM 0 H ILE A 23 3.866 2.288 3.825 1.00 0.00 H new ATOM 0 HA ILE A 23 6.654 1.512 4.196 1.00 0.00 H new ATOM 0 HB ILE A 23 5.105 1.093 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.628 2.738 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.524 0.993 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.634 3.002 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.935 3.279 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.439 4.105 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.597 1.710 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.038 0.935 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.145 2.707 -0.292 1.00 0.00 H new ATOM 382 N GLN A 24 5.986 4.687 4.041 1.00 0.00 N ATOM 383 CA GLN A 24 6.634 6.022 4.188 1.00 0.00 C ATOM 384 C GLN A 24 7.507 6.059 5.446 1.00 0.00 C ATOM 385 O GLN A 24 8.381 6.892 5.582 1.00 0.00 O ATOM 386 CB GLN A 24 5.477 7.013 4.309 1.00 0.00 C ATOM 387 CG GLN A 24 4.649 6.683 5.550 1.00 0.00 C ATOM 388 CD GLN A 24 4.399 7.961 6.350 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.093 8.944 6.180 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.430 7.991 7.223 1.00 0.00 N ATOM 0 H GLN A 24 4.966 4.697 4.034 1.00 0.00 H new ATOM 0 HA GLN A 24 7.286 6.256 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.862 8.031 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.850 6.967 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.700 6.232 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.173 5.952 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.847 7.166 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.255 8.839 7.762 1.00 0.00 H new ATOM 399 N GLU A 25 7.279 5.163 6.368 1.00 0.00 N ATOM 400 CA GLU A 25 8.099 5.152 7.615 1.00 0.00 C ATOM 401 C GLU A 25 8.993 3.910 7.653 1.00 0.00 C ATOM 402 O GLU A 25 10.203 4.003 7.589 1.00 0.00 O ATOM 403 CB GLU A 25 7.083 5.119 8.756 1.00 0.00 C ATOM 404 CG GLU A 25 6.484 6.514 8.951 1.00 0.00 C ATOM 405 CD GLU A 25 6.992 7.115 10.263 1.00 0.00 C ATOM 406 OE1 GLU A 25 7.824 6.488 10.898 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.542 8.194 10.610 1.00 0.00 O ATOM 0 H GLU A 25 6.562 4.439 6.313 1.00 0.00 H new ATOM 0 HA GLU A 25 8.759 6.017 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.294 4.401 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.565 4.787 9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.758 7.158 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.396 6.454 8.965 1.00 0.00 H new ATOM 414 N LYS A 26 8.409 2.748 7.756 1.00 0.00 N ATOM 415 CA LYS A 26 9.231 1.504 7.797 1.00 0.00 C ATOM 416 C LYS A 26 10.267 1.520 6.670 1.00 0.00 C ATOM 417 O LYS A 26 11.373 1.041 6.823 1.00 0.00 O ATOM 418 CB LYS A 26 8.235 0.364 7.596 1.00 0.00 C ATOM 419 CG LYS A 26 8.963 -0.975 7.726 1.00 0.00 C ATOM 420 CD LYS A 26 8.082 -1.964 8.489 1.00 0.00 C ATOM 421 CE LYS A 26 8.650 -3.376 8.331 1.00 0.00 C ATOM 422 NZ LYS A 26 7.673 -4.087 7.460 1.00 0.00 N ATOM 0 H LYS A 26 7.401 2.605 7.813 1.00 0.00 H new ATOM 0 HA LYS A 26 9.781 1.402 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.436 0.430 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.768 0.443 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.199 -1.370 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.910 -0.837 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.041 -1.693 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.061 -1.926 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.641 -3.355 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.752 -3.871 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.064 -5.009 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.785 -4.232 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.487 -3.517 6.610 1.00 0.00 H new ATOM 436 N PHE A 27 9.917 2.071 5.539 1.00 0.00 N ATOM 437 CA PHE A 27 10.880 2.124 4.401 1.00 0.00 C ATOM 438 C PHE A 27 11.253 3.579 4.098 1.00 0.00 C ATOM 439 O PHE A 27 11.412 3.964 2.957 1.00 0.00 O ATOM 440 CB PHE A 27 10.130 1.503 3.224 1.00 0.00 C ATOM 441 CG PHE A 27 10.028 0.011 3.429 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.191 -0.753 3.587 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.773 -0.608 3.469 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.098 -2.136 3.783 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.681 -1.991 3.663 1.00 0.00 C ATOM 446 CZ PHE A 27 9.844 -2.755 3.820 1.00 0.00 C ATOM 0 H PHE A 27 9.004 2.487 5.354 1.00 0.00 H new ATOM 0 HA PHE A 27 11.809 1.596 4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.135 1.939 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.651 1.719 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.159 -0.275 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.876 -0.018 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.995 -2.725 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.713 -2.469 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.773 -3.822 3.970 1.00 0.00 H new ATOM 456 N LYS A 28 11.391 4.387 5.115 1.00 0.00 N ATOM 457 CA LYS A 28 11.751 5.819 4.891 1.00 0.00 C ATOM 458 C LYS A 28 12.829 5.931 3.811 1.00 0.00 C ATOM 459 O LYS A 28 12.838 6.855 3.022 1.00 0.00 O ATOM 460 CB LYS A 28 12.284 6.309 6.238 1.00 0.00 C ATOM 461 CG LYS A 28 11.444 7.494 6.722 1.00 0.00 C ATOM 462 CD LYS A 28 10.906 7.202 8.125 1.00 0.00 C ATOM 463 CE LYS A 28 11.759 7.932 9.165 1.00 0.00 C ATOM 464 NZ LYS A 28 11.461 9.378 8.965 1.00 0.00 N ATOM 0 H LYS A 28 11.270 4.118 6.091 1.00 0.00 H new ATOM 0 HA LYS A 28 10.901 6.411 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.249 5.502 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.328 6.606 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.049 8.401 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.617 7.672 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.867 7.524 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.922 6.129 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.506 7.613 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.819 7.724 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.444 9.860 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.196 9.804 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.535 9.481 8.503 1.00 0.00 H new ATOM 478 N ASN A 29 13.738 4.994 3.764 1.00 0.00 N ATOM 479 CA ASN A 29 14.812 5.047 2.731 1.00 0.00 C ATOM 480 C ASN A 29 14.491 4.078 1.590 1.00 0.00 C ATOM 481 O ASN A 29 15.312 3.273 1.197 1.00 0.00 O ATOM 482 CB ASN A 29 16.087 4.619 3.456 1.00 0.00 C ATOM 483 CG ASN A 29 16.666 5.812 4.218 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.734 6.293 3.894 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.004 6.312 5.225 1.00 0.00 N ATOM 0 H ASN A 29 13.783 4.195 4.396 1.00 0.00 H new ATOM 0 HA ASN A 29 14.912 6.039 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.869 3.804 4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.817 4.243 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.383 7.107 5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.108 5.908 5.497 1.00 0.00 H new ATOM 492 N GLY A 30 13.300 4.147 1.058 1.00 0.00 N ATOM 493 CA GLY A 30 12.924 3.229 -0.055 1.00 0.00 C ATOM 494 C GLY A 30 12.849 1.795 0.469 1.00 0.00 C ATOM 495 O GLY A 30 13.242 1.509 1.583 1.00 0.00 O ATOM 0 H GLY A 30 12.571 4.800 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.963 3.525 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.657 3.296 -0.859 1.00 0.00 H new ATOM 499 N MET A 31 12.349 0.888 -0.324 1.00 0.00 N ATOM 500 CA MET A 31 12.253 -0.529 0.131 1.00 0.00 C ATOM 501 C MET A 31 13.416 -1.346 -0.445 1.00 0.00 C ATOM 502 O MET A 31 13.980 -1.001 -1.464 1.00 0.00 O ATOM 503 CB MET A 31 10.918 -1.033 -0.422 1.00 0.00 C ATOM 504 CG MET A 31 9.807 -0.048 -0.054 1.00 0.00 C ATOM 505 SD MET A 31 8.258 -0.569 -0.832 1.00 0.00 S ATOM 506 CE MET A 31 8.433 -2.343 -0.523 1.00 0.00 C ATOM 0 H MET A 31 12.003 1.066 -1.267 1.00 0.00 H new ATOM 0 HA MET A 31 12.305 -0.621 1.216 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.979 -1.141 -1.505 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.693 -2.019 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.687 -0.006 1.029 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.073 0.956 -0.384 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.474 -2.836 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.172 -2.760 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.759 -2.503 0.505 1.00 0.00 H new ATOM 516 N LEU A 32 13.779 -2.422 0.198 1.00 0.00 N ATOM 517 CA LEU A 32 14.906 -3.254 -0.318 1.00 0.00 C ATOM 518 C LEU A 32 14.487 -3.980 -1.600 1.00 0.00 C ATOM 519 O LEU A 32 13.317 -4.143 -1.875 1.00 0.00 O ATOM 520 CB LEU A 32 15.206 -4.256 0.796 1.00 0.00 C ATOM 521 CG LEU A 32 16.041 -3.574 1.881 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.870 -4.320 3.205 1.00 0.00 C ATOM 523 CD2 LEU A 32 17.517 -3.594 1.476 1.00 0.00 C ATOM 0 H LEU A 32 13.346 -2.762 1.057 1.00 0.00 H new ATOM 0 HA LEU A 32 15.780 -2.653 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.276 -4.634 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.744 -5.114 0.393 1.00 0.00 H new ATOM 0 HG LEU A 32 15.707 -2.543 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.466 -3.833 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.820 -4.309 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.203 -5.351 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.113 -3.108 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.848 -4.626 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.643 -3.062 0.533 1.00 0.00 H new ATOM 535 N HIS A 33 15.435 -4.409 -2.387 1.00 0.00 N ATOM 536 CA HIS A 33 15.092 -5.118 -3.656 1.00 0.00 C ATOM 537 C HIS A 33 14.419 -6.463 -3.366 1.00 0.00 C ATOM 538 O HIS A 33 14.739 -7.136 -2.407 1.00 0.00 O ATOM 539 CB HIS A 33 16.431 -5.334 -4.358 1.00 0.00 C ATOM 540 CG HIS A 33 16.210 -6.094 -5.637 1.00 0.00 C ATOM 541 ND1 HIS A 33 16.281 -5.485 -6.880 1.00 0.00 N ATOM 542 CD2 HIS A 33 15.917 -7.413 -5.880 1.00 0.00 C ATOM 543 CE1 HIS A 33 16.036 -6.429 -7.807 1.00 0.00 C ATOM 544 NE2 HIS A 33 15.807 -7.622 -7.252 1.00 0.00 N ATOM 0 H HIS A 33 16.433 -4.300 -2.208 1.00 0.00 H new ATOM 0 HA HIS A 33 14.392 -4.546 -4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.902 -4.374 -4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.110 -5.885 -3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.791 -8.172 -5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.026 -6.244 -8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.597 -8.498 -7.730 1.00 0.00 H new ATOM 552 N GLY A 34 13.496 -6.864 -4.200 1.00 0.00 N ATOM 553 CA GLY A 34 12.808 -8.171 -3.985 1.00 0.00 C ATOM 554 C GLY A 34 11.835 -8.071 -2.806 1.00 0.00 C ATOM 555 O GLY A 34 11.269 -9.056 -2.377 1.00 0.00 O ATOM 0 H GLY A 34 13.189 -6.343 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.268 -8.459 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.545 -8.951 -3.792 1.00 0.00 H new ATOM 559 N ASP A 35 11.631 -6.894 -2.280 1.00 0.00 N ATOM 560 CA ASP A 35 10.688 -6.748 -1.131 1.00 0.00 C ATOM 561 C ASP A 35 9.249 -6.994 -1.594 1.00 0.00 C ATOM 562 O ASP A 35 8.825 -6.494 -2.616 1.00 0.00 O ATOM 563 CB ASP A 35 10.859 -5.305 -0.653 1.00 0.00 C ATOM 564 CG ASP A 35 11.688 -5.288 0.632 1.00 0.00 C ATOM 565 OD1 ASP A 35 12.646 -6.038 0.705 1.00 0.00 O ATOM 566 OD2 ASP A 35 11.350 -4.524 1.521 1.00 0.00 O ATOM 0 H ASP A 35 12.073 -6.030 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 35 10.894 -7.465 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.351 -4.711 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.884 -4.852 -0.475 1.00 0.00 H new ATOM 571 N LYS A 36 8.494 -7.758 -0.853 1.00 0.00 N ATOM 572 CA LYS A 36 7.085 -8.028 -1.262 1.00 0.00 C ATOM 573 C LYS A 36 6.107 -7.393 -0.273 1.00 0.00 C ATOM 574 O LYS A 36 6.130 -7.672 0.909 1.00 0.00 O ATOM 575 CB LYS A 36 6.947 -9.548 -1.242 1.00 0.00 C ATOM 576 CG LYS A 36 7.463 -10.124 -2.560 1.00 0.00 C ATOM 577 CD LYS A 36 6.485 -11.184 -3.068 1.00 0.00 C ATOM 578 CE LYS A 36 7.095 -11.907 -4.270 1.00 0.00 C ATOM 579 NZ LYS A 36 6.224 -11.542 -5.421 1.00 0.00 N ATOM 0 H LYS A 36 8.789 -8.206 0.015 1.00 0.00 H new ATOM 0 HA LYS A 36 6.860 -7.609 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.510 -9.964 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.904 -9.827 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.572 -9.330 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.450 -10.563 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.262 -11.898 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.541 -10.718 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.125 -11.592 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.113 -12.986 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.579 -12.001 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.251 -11.860 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.232 -10.510 -5.549 1.00 0.00 H new ATOM 593 N VAL A 37 5.247 -6.544 -0.755 1.00 0.00 N ATOM 594 CA VAL A 37 4.258 -5.885 0.144 1.00 0.00 C ATOM 595 C VAL A 37 2.900 -5.788 -0.560 1.00 0.00 C ATOM 596 O VAL A 37 2.822 -5.464 -1.728 1.00 0.00 O ATOM 597 CB VAL A 37 4.836 -4.495 0.412 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.325 -4.621 0.744 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.665 -3.622 -0.833 1.00 0.00 C ATOM 0 H VAL A 37 5.185 -6.276 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 37 4.096 -6.438 1.069 1.00 0.00 H new ATOM 0 HB VAL A 37 4.311 -4.038 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.740 -3.631 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.449 -5.244 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.848 -5.077 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.077 -2.631 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.191 -4.078 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.605 -3.534 -1.073 1.00 0.00 H new ATOM 609 N SER A 38 1.833 -6.072 0.134 1.00 0.00 N ATOM 610 CA SER A 38 0.489 -6.001 -0.510 1.00 0.00 C ATOM 611 C SER A 38 -0.219 -4.696 -0.135 1.00 0.00 C ATOM 612 O SER A 38 -0.092 -4.203 0.969 1.00 0.00 O ATOM 613 CB SER A 38 -0.278 -7.201 0.042 1.00 0.00 C ATOM 614 OG SER A 38 0.646 -8.187 0.484 1.00 0.00 O ATOM 0 H SER A 38 1.832 -6.349 1.116 1.00 0.00 H new ATOM 0 HA SER A 38 0.556 -6.021 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.918 -6.890 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.930 -7.616 -0.727 1.00 0.00 H new ATOM 0 HG SER A 38 0.571 -8.983 -0.083 1.00 0.00 H new ATOM 620 N PHE A 39 -0.974 -4.138 -1.043 1.00 0.00 N ATOM 621 CA PHE A 39 -1.701 -2.869 -0.737 1.00 0.00 C ATOM 622 C PHE A 39 -3.159 -3.178 -0.389 1.00 0.00 C ATOM 623 O PHE A 39 -3.759 -4.074 -0.943 1.00 0.00 O ATOM 624 CB PHE A 39 -1.617 -2.043 -2.020 1.00 0.00 C ATOM 625 CG PHE A 39 -0.227 -1.472 -2.160 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.774 -2.216 -2.795 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.060 -0.199 -1.655 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.063 -1.686 -2.925 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.349 0.332 -1.785 1.00 0.00 C ATOM 630 CZ PHE A 39 2.351 -0.412 -2.420 1.00 0.00 C ATOM 0 H PHE A 39 -1.120 -4.505 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.273 -2.338 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.855 -2.666 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.352 -1.238 -1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.552 -3.199 -3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.713 0.374 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.836 -2.260 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.570 1.315 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.346 -0.003 -2.520 1.00 0.00 H new ATOM 640 N PHE A 40 -3.737 -2.453 0.526 1.00 0.00 N ATOM 641 CA PHE A 40 -5.154 -2.730 0.896 1.00 0.00 C ATOM 642 C PHE A 40 -6.111 -1.985 -0.038 1.00 0.00 C ATOM 643 O PHE A 40 -5.946 -0.811 -0.307 1.00 0.00 O ATOM 644 CB PHE A 40 -5.302 -2.224 2.331 1.00 0.00 C ATOM 645 CG PHE A 40 -4.963 -3.337 3.293 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.644 -4.559 3.220 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.966 -3.148 4.258 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.328 -5.592 4.113 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.651 -4.181 5.150 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.331 -5.402 5.077 1.00 0.00 C ATOM 0 H PHE A 40 -3.294 -1.685 1.031 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.395 -3.790 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.643 -1.372 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.321 -1.878 2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.413 -4.705 2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.440 -2.206 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.853 -6.534 4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.883 -4.035 5.895 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.086 -6.198 5.765 1.00 0.00 H new ATOM 660 N CYS A 41 -7.111 -2.662 -0.530 1.00 0.00 N ATOM 661 CA CYS A 41 -8.086 -2.002 -1.446 1.00 0.00 C ATOM 662 C CYS A 41 -9.515 -2.372 -1.036 1.00 0.00 C ATOM 663 O CYS A 41 -9.726 -3.173 -0.146 1.00 0.00 O ATOM 664 CB CYS A 41 -7.760 -2.557 -2.832 1.00 0.00 C ATOM 665 SG CYS A 41 -7.928 -1.244 -4.066 1.00 0.00 S ATOM 0 H CYS A 41 -7.296 -3.646 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.018 -0.914 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.746 -2.955 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.430 -3.383 -3.071 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.648 -1.717 -5.244 1.00 0.00 H new ATOM 670 N LYS A 42 -10.500 -1.792 -1.668 1.00 0.00 N ATOM 671 CA LYS A 42 -11.909 -2.114 -1.299 1.00 0.00 C ATOM 672 C LYS A 42 -12.643 -2.776 -2.466 1.00 0.00 C ATOM 673 O LYS A 42 -12.433 -2.450 -3.617 1.00 0.00 O ATOM 674 CB LYS A 42 -12.549 -0.769 -0.969 1.00 0.00 C ATOM 675 CG LYS A 42 -12.308 0.208 -2.122 1.00 0.00 C ATOM 676 CD LYS A 42 -11.210 1.198 -1.732 1.00 0.00 C ATOM 677 CE LYS A 42 -11.609 1.924 -0.445 1.00 0.00 C ATOM 678 NZ LYS A 42 -11.066 3.304 -0.595 1.00 0.00 N ATOM 0 H LYS A 42 -10.391 -1.112 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.956 -2.813 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.619 -0.895 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.127 -0.370 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.018 -0.337 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.228 0.743 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.266 0.672 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.054 1.919 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.692 1.938 -0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.192 1.429 0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.300 3.863 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.033 3.260 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.486 3.753 -1.434 1.00 0.00 H new ATOM 692 N ASN A 43 -13.510 -3.699 -2.166 1.00 0.00 N ATOM 693 CA ASN A 43 -14.278 -4.392 -3.241 1.00 0.00 C ATOM 694 C ASN A 43 -15.743 -3.945 -3.212 1.00 0.00 C ATOM 695 O ASN A 43 -16.449 -4.166 -2.247 1.00 0.00 O ATOM 696 CB ASN A 43 -14.169 -5.882 -2.910 1.00 0.00 C ATOM 697 CG ASN A 43 -14.530 -6.707 -4.147 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.688 -6.983 -4.391 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.581 -7.118 -4.944 1.00 0.00 N ATOM 0 H ASN A 43 -13.723 -4.007 -1.217 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.893 -4.166 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.157 -6.120 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.837 -6.132 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.812 -7.670 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.609 -6.887 -4.741 1.00 0.00 H new ATOM 706 N LYS A 44 -16.204 -3.317 -4.258 1.00 0.00 N ATOM 707 CA LYS A 44 -17.622 -2.857 -4.283 1.00 0.00 C ATOM 708 C LYS A 44 -18.559 -4.042 -4.537 1.00 0.00 C ATOM 709 O LYS A 44 -19.723 -4.011 -4.190 1.00 0.00 O ATOM 710 CB LYS A 44 -17.694 -1.859 -5.438 1.00 0.00 C ATOM 711 CG LYS A 44 -18.998 -1.065 -5.350 1.00 0.00 C ATOM 712 CD LYS A 44 -19.393 -0.576 -6.744 1.00 0.00 C ATOM 713 CE LYS A 44 -19.946 0.849 -6.650 1.00 0.00 C ATOM 714 NZ LYS A 44 -18.745 1.730 -6.682 1.00 0.00 N ATOM 0 H LYS A 44 -15.662 -3.103 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.927 -2.409 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.841 -1.182 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.641 -2.386 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.789 -1.689 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.875 -0.217 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.528 -0.598 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.142 -1.240 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.618 1.067 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.516 0.992 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.042 2.725 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.127 1.504 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.226 1.577 -7.570 1.00 0.00 H new ATOM 728 N GLU A 45 -18.061 -5.085 -5.145 1.00 0.00 N ATOM 729 CA GLU A 45 -18.924 -6.270 -5.425 1.00 0.00 C ATOM 730 C GLU A 45 -19.228 -7.026 -4.128 1.00 0.00 C ATOM 731 O GLU A 45 -20.332 -7.484 -3.910 1.00 0.00 O ATOM 732 CB GLU A 45 -18.103 -7.142 -6.375 1.00 0.00 C ATOM 733 CG GLU A 45 -17.737 -6.336 -7.623 1.00 0.00 C ATOM 734 CD GLU A 45 -18.660 -6.734 -8.776 1.00 0.00 C ATOM 735 OE1 GLU A 45 -19.859 -6.784 -8.559 1.00 0.00 O ATOM 736 OE2 GLU A 45 -18.151 -6.983 -9.856 1.00 0.00 O ATOM 0 H GLU A 45 -17.094 -5.168 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.884 -5.987 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.198 -7.490 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.673 -8.028 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.830 -5.269 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.698 -6.519 -7.895 1.00 0.00 H new ATOM 743 N LYS A 46 -18.257 -7.162 -3.267 1.00 0.00 N ATOM 744 CA LYS A 46 -18.493 -7.892 -1.988 1.00 0.00 C ATOM 745 C LYS A 46 -18.485 -6.915 -0.808 1.00 0.00 C ATOM 746 O LYS A 46 -18.755 -7.283 0.317 1.00 0.00 O ATOM 747 CB LYS A 46 -17.336 -8.881 -1.879 1.00 0.00 C ATOM 748 CG LYS A 46 -17.342 -9.808 -3.097 1.00 0.00 C ATOM 749 CD LYS A 46 -15.918 -10.292 -3.381 1.00 0.00 C ATOM 750 CE LYS A 46 -15.805 -10.715 -4.847 1.00 0.00 C ATOM 751 NZ LYS A 46 -15.997 -12.191 -4.838 1.00 0.00 N ATOM 0 H LYS A 46 -17.312 -6.800 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.460 -8.395 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.389 -8.345 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -17.428 -9.465 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.997 -10.660 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.738 -9.281 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.203 -9.498 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.671 -11.130 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.560 -10.222 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.834 -10.446 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.933 -12.555 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.260 -12.633 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.933 -12.417 -4.445 1.00 0.00 H new ATOM 765 N LYS A 47 -18.186 -5.670 -1.064 1.00 0.00 N ATOM 766 CA LYS A 47 -18.171 -4.657 0.031 1.00 0.00 C ATOM 767 C LYS A 47 -17.078 -4.967 1.061 1.00 0.00 C ATOM 768 O LYS A 47 -17.202 -4.636 2.223 1.00 0.00 O ATOM 769 CB LYS A 47 -19.552 -4.746 0.676 1.00 0.00 C ATOM 770 CG LYS A 47 -20.627 -4.795 -0.413 1.00 0.00 C ATOM 771 CD LYS A 47 -21.764 -3.839 -0.049 1.00 0.00 C ATOM 772 CE LYS A 47 -23.103 -4.445 -0.476 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.781 -4.809 0.799 1.00 0.00 N ATOM 0 H LYS A 47 -17.950 -5.309 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.957 -3.659 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.615 -5.635 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.717 -3.886 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.198 -4.517 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -21.010 -5.810 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.765 -3.651 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.615 -2.878 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -23.695 -3.731 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.957 -5.320 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.708 -5.232 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.197 -5.494 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.912 -3.955 1.378 1.00 0.00 H new ATOM 787 N CYS A 48 -16.001 -5.578 0.648 1.00 0.00 N ATOM 788 CA CYS A 48 -14.903 -5.877 1.617 1.00 0.00 C ATOM 789 C CYS A 48 -13.579 -5.376 1.051 1.00 0.00 C ATOM 790 O CYS A 48 -13.515 -4.873 -0.052 1.00 0.00 O ATOM 791 CB CYS A 48 -14.823 -7.401 1.770 1.00 0.00 C ATOM 792 SG CYS A 48 -16.423 -8.193 1.477 1.00 0.00 S ATOM 0 H CYS A 48 -15.832 -5.882 -0.311 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.097 -5.393 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.088 -7.798 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.474 -7.647 2.773 1.00 0.00 H new ATOM 797 N SER A 49 -12.516 -5.530 1.785 1.00 0.00 N ATOM 798 CA SER A 49 -11.196 -5.086 1.271 1.00 0.00 C ATOM 799 C SER A 49 -10.295 -6.300 1.052 1.00 0.00 C ATOM 800 O SER A 49 -10.604 -7.403 1.464 1.00 0.00 O ATOM 801 CB SER A 49 -10.622 -4.186 2.361 1.00 0.00 C ATOM 802 OG SER A 49 -11.089 -4.628 3.629 1.00 0.00 O ATOM 0 H SER A 49 -12.505 -5.944 2.717 1.00 0.00 H new ATOM 0 HA SER A 49 -11.276 -4.563 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.533 -4.211 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.922 -3.152 2.190 1.00 0.00 H new ATOM 0 HG SER A 49 -10.329 -4.921 4.174 1.00 0.00 H new ATOM 808 N TYR A 50 -9.181 -6.099 0.410 1.00 0.00 N ATOM 809 CA TYR A 50 -8.241 -7.229 0.162 1.00 0.00 C ATOM 810 C TYR A 50 -6.819 -6.687 0.012 1.00 0.00 C ATOM 811 O TYR A 50 -6.555 -5.537 0.299 1.00 0.00 O ATOM 812 CB TYR A 50 -8.721 -7.893 -1.133 1.00 0.00 C ATOM 813 CG TYR A 50 -9.139 -6.844 -2.136 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.422 -6.288 -2.078 1.00 0.00 C ATOM 815 CD2 TYR A 50 -8.242 -6.433 -3.129 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.807 -5.320 -3.014 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.627 -5.468 -4.065 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.910 -4.911 -4.007 1.00 0.00 C ATOM 819 OH TYR A 50 -10.290 -3.959 -4.930 1.00 0.00 O ATOM 0 H TYR A 50 -8.878 -5.197 0.044 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.226 -7.946 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.924 -8.509 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.559 -8.557 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.114 -6.605 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.252 -6.862 -3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.796 -4.889 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.935 -5.153 -4.832 1.00 0.00 H new ATOM 0 HH TYR A 50 -11.012 -3.411 -4.557 1.00 0.00 H new ATOM 829 N THR A 51 -5.892 -7.498 -0.421 1.00 0.00 N ATOM 830 CA THR A 51 -4.493 -6.999 -0.562 1.00 0.00 C ATOM 831 C THR A 51 -3.975 -7.189 -1.990 1.00 0.00 C ATOM 832 O THR A 51 -4.294 -8.148 -2.662 1.00 0.00 O ATOM 833 CB THR A 51 -3.670 -7.841 0.412 1.00 0.00 C ATOM 834 OG1 THR A 51 -4.039 -9.207 0.286 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.925 -7.371 1.845 1.00 0.00 C ATOM 0 H THR A 51 -6.039 -8.473 -0.681 1.00 0.00 H new ATOM 0 HA THR A 51 -4.429 -5.932 -0.350 1.00 0.00 H new ATOM 0 HB THR A 51 -2.611 -7.728 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.510 -9.748 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.336 -7.974 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.637 -6.324 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.984 -7.479 2.080 1.00 0.00 H new ATOM 843 N GLU A 52 -3.157 -6.278 -2.440 1.00 0.00 N ATOM 844 CA GLU A 52 -2.580 -6.386 -3.811 1.00 0.00 C ATOM 845 C GLU A 52 -1.066 -6.575 -3.702 1.00 0.00 C ATOM 846 O GLU A 52 -0.302 -5.639 -3.817 1.00 0.00 O ATOM 847 CB GLU A 52 -2.909 -5.056 -4.492 1.00 0.00 C ATOM 848 CG GLU A 52 -4.144 -5.227 -5.379 1.00 0.00 C ATOM 849 CD GLU A 52 -3.788 -6.088 -6.592 1.00 0.00 C ATOM 850 OE1 GLU A 52 -3.739 -7.298 -6.441 1.00 0.00 O ATOM 851 OE2 GLU A 52 -3.570 -5.523 -7.651 1.00 0.00 O ATOM 0 H GLU A 52 -2.861 -5.457 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.980 -7.230 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.091 -4.287 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.062 -4.723 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.950 -5.694 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.507 -4.253 -5.706 1.00 0.00 H new ATOM 858 N ASP A 53 -0.634 -7.780 -3.456 1.00 0.00 N ATOM 859 CA ASP A 53 0.827 -8.041 -3.312 1.00 0.00 C ATOM 860 C ASP A 53 1.641 -7.236 -4.327 1.00 0.00 C ATOM 861 O ASP A 53 1.230 -7.025 -5.451 1.00 0.00 O ATOM 862 CB ASP A 53 0.993 -9.535 -3.568 1.00 0.00 C ATOM 863 CG ASP A 53 0.107 -10.322 -2.601 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.563 -9.695 -1.797 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.113 -11.540 -2.681 1.00 0.00 O ATOM 0 H ASP A 53 -1.232 -8.599 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 53 1.187 -7.745 -2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.723 -9.770 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.036 -9.823 -3.438 1.00 0.00 H new ATOM 870 N ALA A 54 2.803 -6.802 -3.930 1.00 0.00 N ATOM 871 CA ALA A 54 3.679 -6.021 -4.852 1.00 0.00 C ATOM 872 C ALA A 54 5.139 -6.437 -4.639 1.00 0.00 C ATOM 873 O ALA A 54 5.456 -7.144 -3.704 1.00 0.00 O ATOM 874 CB ALA A 54 3.468 -4.557 -4.464 1.00 0.00 C ATOM 0 H ALA A 54 3.189 -6.955 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 54 3.443 -6.190 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.082 -3.920 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.418 -4.294 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.754 -4.412 -3.422 1.00 0.00 H new ATOM 880 N GLN A 55 6.032 -6.016 -5.494 1.00 0.00 N ATOM 881 CA GLN A 55 7.461 -6.412 -5.318 1.00 0.00 C ATOM 882 C GLN A 55 8.397 -5.242 -5.631 1.00 0.00 C ATOM 883 O GLN A 55 8.111 -4.407 -6.466 1.00 0.00 O ATOM 884 CB GLN A 55 7.678 -7.550 -6.315 1.00 0.00 C ATOM 885 CG GLN A 55 8.832 -8.437 -5.840 1.00 0.00 C ATOM 886 CD GLN A 55 9.754 -8.747 -7.019 1.00 0.00 C ATOM 887 OE1 GLN A 55 10.959 -8.800 -6.866 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.237 -8.955 -8.199 1.00 0.00 N ATOM 0 H GLN A 55 5.838 -5.421 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 55 7.675 -6.712 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.767 -8.141 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.900 -7.145 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.390 -7.934 -5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.443 -9.362 -5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.226 -8.911 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.844 -9.162 -8.992 1.00 0.00 H new ATOM 897 N CYS A 56 9.524 -5.183 -4.969 1.00 0.00 N ATOM 898 CA CYS A 56 10.492 -4.077 -5.227 1.00 0.00 C ATOM 899 C CYS A 56 11.641 -4.588 -6.100 1.00 0.00 C ATOM 900 O CYS A 56 12.045 -5.731 -6.007 1.00 0.00 O ATOM 901 CB CYS A 56 11.007 -3.666 -3.846 1.00 0.00 C ATOM 902 SG CYS A 56 12.504 -2.662 -4.026 1.00 0.00 S ATOM 0 H CYS A 56 9.815 -5.855 -4.259 1.00 0.00 H new ATOM 0 HA CYS A 56 10.036 -3.238 -5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.241 -3.101 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.222 -4.552 -3.249 1.00 0.00 H new ATOM 907 N ILE A 57 12.169 -3.754 -6.951 1.00 0.00 N ATOM 908 CA ILE A 57 13.287 -4.196 -7.832 1.00 0.00 C ATOM 909 C ILE A 57 14.328 -3.079 -7.985 1.00 0.00 C ATOM 910 O ILE A 57 14.133 -1.970 -7.529 1.00 0.00 O ATOM 911 CB ILE A 57 12.618 -4.519 -9.170 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.977 -5.907 -9.087 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.656 -4.509 -10.296 1.00 0.00 C ATOM 914 CD1 ILE A 57 10.865 -6.020 -10.130 1.00 0.00 C ATOM 0 H ILE A 57 11.875 -2.785 -7.075 1.00 0.00 H new ATOM 0 HA ILE A 57 13.824 -5.054 -7.428 1.00 0.00 H new ATOM 0 HB ILE A 57 11.858 -3.767 -9.381 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.729 -6.677 -9.257 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.572 -6.073 -8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.168 -4.740 -11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.117 -3.523 -10.357 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.422 -5.256 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.409 -7.008 -10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.108 -5.259 -9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.284 -5.873 -11.126 1.00 0.00 H new ATOM 926 N ASP A 58 15.432 -3.382 -8.618 1.00 0.00 N ATOM 927 CA ASP A 58 16.522 -2.375 -8.821 1.00 0.00 C ATOM 928 C ASP A 58 15.974 -0.946 -8.919 1.00 0.00 C ATOM 929 O ASP A 58 15.643 -0.466 -9.986 1.00 0.00 O ATOM 930 CB ASP A 58 17.175 -2.780 -10.142 1.00 0.00 C ATOM 931 CG ASP A 58 18.610 -2.252 -10.188 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.128 -1.911 -9.138 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.165 -2.198 -11.273 1.00 0.00 O ATOM 0 H ASP A 58 15.629 -4.302 -9.011 1.00 0.00 H new ATOM 0 HA ASP A 58 17.218 -2.369 -7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.173 -3.865 -10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.603 -2.381 -10.980 1.00 0.00 H new ATOM 938 N GLY A 59 15.900 -0.258 -7.813 1.00 0.00 N ATOM 939 CA GLY A 59 15.402 1.148 -7.823 1.00 0.00 C ATOM 940 C GLY A 59 14.110 1.263 -8.637 1.00 0.00 C ATOM 941 O GLY A 59 13.741 2.336 -9.072 1.00 0.00 O ATOM 0 H GLY A 59 16.166 -0.612 -6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.224 1.482 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.163 1.805 -8.245 1.00 0.00 H new ATOM 945 N THR A 60 13.410 0.183 -8.841 1.00 0.00 N ATOM 946 CA THR A 60 12.141 0.268 -9.621 1.00 0.00 C ATOM 947 C THR A 60 11.055 -0.577 -8.960 1.00 0.00 C ATOM 948 O THR A 60 11.290 -1.690 -8.541 1.00 0.00 O ATOM 949 CB THR A 60 12.468 -0.285 -11.005 1.00 0.00 C ATOM 950 OG1 THR A 60 13.630 0.354 -11.513 1.00 0.00 O ATOM 951 CG2 THR A 60 11.285 -0.029 -11.942 1.00 0.00 C ATOM 0 H THR A 60 13.657 -0.748 -8.506 1.00 0.00 H new ATOM 0 HA THR A 60 11.769 1.291 -9.672 1.00 0.00 H new ATOM 0 HB THR A 60 12.653 -1.357 -10.936 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.426 -0.031 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.514 -0.422 -12.933 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.397 -0.525 -11.551 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.101 1.043 -12.011 1.00 0.00 H new ATOM 959 N ILE A 61 9.866 -0.058 -8.874 1.00 0.00 N ATOM 960 CA ILE A 61 8.761 -0.834 -8.247 1.00 0.00 C ATOM 961 C ILE A 61 7.428 -0.463 -8.895 1.00 0.00 C ATOM 962 O ILE A 61 7.163 0.688 -9.181 1.00 0.00 O ATOM 963 CB ILE A 61 8.777 -0.444 -6.766 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.443 -0.831 -6.120 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.989 1.065 -6.628 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.710 -1.594 -4.822 1.00 0.00 C ATOM 0 H ILE A 61 9.609 0.870 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 61 8.887 -1.909 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 61 9.591 -0.969 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.853 0.062 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.860 -1.448 -6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.999 1.336 -5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.940 1.342 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.179 1.594 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.762 -1.870 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.283 -2.495 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.276 -0.961 -4.138 1.00 0.00 H new ATOM 978 N GLU A 62 6.589 -1.430 -9.128 1.00 0.00 N ATOM 979 CA GLU A 62 5.270 -1.136 -9.755 1.00 0.00 C ATOM 980 C GLU A 62 4.162 -1.218 -8.702 1.00 0.00 C ATOM 981 O GLU A 62 3.809 -2.286 -8.241 1.00 0.00 O ATOM 982 CB GLU A 62 5.082 -2.214 -10.828 1.00 0.00 C ATOM 983 CG GLU A 62 5.393 -3.592 -10.237 1.00 0.00 C ATOM 984 CD GLU A 62 4.559 -4.655 -10.954 1.00 0.00 C ATOM 985 OE1 GLU A 62 4.534 -4.637 -12.174 1.00 0.00 O ATOM 986 OE2 GLU A 62 3.960 -5.470 -10.272 1.00 0.00 O ATOM 0 H GLU A 62 6.758 -2.412 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 62 5.229 -0.135 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.059 -2.192 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.738 -2.015 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.455 -3.814 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.172 -3.600 -9.170 1.00 0.00 H new ATOM 993 N VAL A 63 3.616 -0.100 -8.309 1.00 0.00 N ATOM 994 CA VAL A 63 2.539 -0.120 -7.277 1.00 0.00 C ATOM 995 C VAL A 63 1.190 -0.479 -7.916 1.00 0.00 C ATOM 996 O VAL A 63 0.916 -0.085 -9.032 1.00 0.00 O ATOM 997 CB VAL A 63 2.503 1.300 -6.714 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.321 1.440 -5.753 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.807 1.582 -5.963 1.00 0.00 C ATOM 0 H VAL A 63 3.868 0.825 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 63 2.728 -0.863 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 63 2.391 2.012 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.296 2.453 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.392 1.238 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.431 0.728 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.783 2.595 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.918 0.869 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.650 1.483 -6.647 1.00 0.00 H new ATOM 1009 N PRO A 64 0.385 -1.214 -7.185 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.946 -1.621 -7.694 1.00 0.00 C ATOM 1011 C PRO A 64 -1.827 -0.393 -7.935 1.00 0.00 C ATOM 1012 O PRO A 64 -1.964 0.460 -7.081 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.499 -2.476 -6.550 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.453 -2.528 -5.420 1.00 0.00 C ATOM 1015 CD PRO A 64 0.757 -1.678 -5.827 1.00 0.00 C ATOM 0 HA PRO A 64 -0.907 -2.150 -8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.433 -2.054 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.722 -3.482 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.882 -2.153 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.146 -3.558 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.915 -0.844 -5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.678 -2.262 -5.836 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.119 1.774 2.278 1.00 0.00 N ATOM 1273 CA ALA A 80 -8.982 0.290 2.210 1.00 0.00 C ATOM 1274 C ALA A 80 -8.120 -0.219 3.368 1.00 0.00 C ATOM 1275 O ALA A 80 -8.490 -1.134 4.076 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.296 0.020 0.871 1.00 0.00 C ATOM 0 HA ALA A 80 -9.944 -0.217 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.158 -1.054 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.915 0.405 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.325 0.516 0.853 1.00 0.00 H new ATOM 1282 N SER A 81 -6.970 0.367 3.562 1.00 0.00 N ATOM 1283 CA SER A 81 -6.081 -0.082 4.673 1.00 0.00 C ATOM 1284 C SER A 81 -6.863 -0.161 5.987 1.00 0.00 C ATOM 1285 O SER A 81 -6.468 -0.838 6.915 1.00 0.00 O ATOM 1286 CB SER A 81 -4.992 0.986 4.763 1.00 0.00 C ATOM 1287 OG SER A 81 -5.356 1.944 5.747 1.00 0.00 O ATOM 0 H SER A 81 -6.607 1.137 3.000 1.00 0.00 H new ATOM 0 HA SER A 81 -5.669 -1.075 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.037 0.528 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.862 1.472 3.796 1.00 0.00 H new ATOM 0 HG SER A 81 -6.267 2.261 5.574 1.00 0.00 H new ATOM 1293 N ASP A 82 -7.967 0.530 6.077 1.00 0.00 N ATOM 1294 CA ASP A 82 -8.766 0.494 7.336 1.00 0.00 C ATOM 1295 C ASP A 82 -10.027 -0.351 7.143 1.00 0.00 C ATOM 1296 O ASP A 82 -11.034 -0.140 7.788 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.132 1.952 7.613 1.00 0.00 C ATOM 1298 CG ASP A 82 -7.858 2.758 7.876 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.240 3.184 6.914 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -7.521 2.935 9.035 1.00 0.00 O ATOM 0 H ASP A 82 -8.350 1.117 5.335 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.213 0.048 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.671 2.370 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.798 2.013 8.474 1.00 0.00 H new ATOM 1305 N VAL A 83 -9.977 -1.312 6.262 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.169 -2.177 6.029 1.00 0.00 C ATOM 1307 C VAL A 83 -10.814 -3.640 6.305 1.00 0.00 C ATOM 1308 O VAL A 83 -9.673 -4.042 6.194 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.526 -1.981 4.554 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -12.941 -2.498 4.295 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.456 -0.492 4.205 1.00 0.00 C ATOM 0 H VAL A 83 -9.161 -1.536 5.692 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.002 -1.919 6.683 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.820 -2.534 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.193 -2.357 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.992 -3.559 4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.649 -1.947 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.710 -0.352 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.161 0.061 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.447 -0.123 4.386 1.00 0.00 H new ATOM 1321 N LYS A 84 -11.780 -4.438 6.665 1.00 0.00 N ATOM 1322 CA LYS A 84 -11.493 -5.874 6.949 1.00 0.00 C ATOM 1323 C LYS A 84 -11.610 -6.702 5.660 1.00 0.00 C ATOM 1324 O LYS A 84 -12.428 -6.405 4.813 1.00 0.00 O ATOM 1325 CB LYS A 84 -12.557 -6.294 7.962 1.00 0.00 C ATOM 1326 CG LYS A 84 -12.273 -5.625 9.308 1.00 0.00 C ATOM 1327 CD LYS A 84 -13.401 -4.646 9.643 1.00 0.00 C ATOM 1328 CE LYS A 84 -12.852 -3.217 9.652 1.00 0.00 C ATOM 1329 NZ LYS A 84 -12.851 -2.812 11.086 1.00 0.00 N ATOM 0 H LYS A 84 -12.755 -4.160 6.775 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.484 -6.030 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.547 -6.010 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.558 -7.378 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.189 -6.380 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.320 -5.098 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.203 -4.734 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.830 -4.888 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.848 -3.178 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.475 -2.551 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.487 -1.842 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.821 -2.852 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.244 -3.459 11.629 1.00 0.00 H new ATOM 1343 N PRO A 85 -10.786 -7.717 5.549 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.805 -8.587 4.347 1.00 0.00 C ATOM 1345 C PRO A 85 -12.158 -9.289 4.213 1.00 0.00 C ATOM 1346 O PRO A 85 -12.708 -9.784 5.178 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.691 -9.595 4.643 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.073 -9.265 6.015 1.00 0.00 C ATOM 1349 CD PRO A 85 -9.802 -8.051 6.606 1.00 0.00 C ATOM 0 HA PRO A 85 -10.658 -8.045 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.090 -10.609 4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.928 -9.553 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.161 -10.121 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.009 -9.052 5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.289 -8.291 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.119 -7.224 6.800 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.702 -9.340 3.027 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.021 -10.018 2.851 1.00 0.00 C ATOM 1359 C CYS A 86 -14.023 -11.361 3.582 1.00 0.00 C ATOM 1360 O CYS A 86 -13.115 -12.142 3.347 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.176 -10.233 1.345 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.923 -10.065 0.892 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.932 -11.586 4.364 1.00 0.00 O ATOM 0 H CYS A 86 -12.296 -8.946 2.179 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.840 -9.425 3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.575 -9.506 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.810 -11.222 1.068 1.00 0.00 H new