USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -160:sc= 0.0444 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.499 K(o=0.16,f=-6.6!) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.611 X(o=0.16,f=-0.21) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 160:sc= -0.0908 (180deg=-0.518) USER MOD Set 2.2: A 43 THR OG1 : rot 110:sc= 0.112 USER MOD Set 3.1: A 3 MET CE :methyl -122:sc= -0.114 (180deg=-0.0663) USER MOD Set 3.2: A 59 GLN : amide:sc= -1.43 K(o=-1.5,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.192 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 24 MET CE :methyl -161:sc= -0.129 (180deg=-0.605) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 2.47 (180deg=2.35) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 49 GLN : amide:sc= 1.25 K(o=1.3,f=-0.25) USER MOD Single : A 55 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.6!) USER MOD Single : A 57 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.15) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 82 ASN : amide:sc= 1.14 K(o=1.1,f=-0.023) USER MOD Single : A 83 THR OG1 : rot -104:sc= -0.144! USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= -0.0178 (180deg=-0.268) USER MOD Single : A 86 ASN : amide:sc= 0.524 K(o=0.52,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.623 -13.864 1.609 1.00 0.00 N ATOM 2 CA GLY A 1 15.238 -13.444 1.502 1.00 0.00 C ATOM 3 C GLY A 1 15.046 -12.623 0.266 1.00 0.00 C ATOM 4 O GLY A 1 16.010 -12.346 -0.450 1.00 0.00 O ATOM 0 H1 GLY A 1 16.683 -14.896 1.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.185 -13.400 0.867 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.995 -13.598 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.586 -14.317 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.956 -12.864 2.381 1.00 0.00 H new ATOM 10 N HIS A 2 13.829 -12.234 0.007 1.00 0.00 N ATOM 11 CA HIS A 2 13.482 -11.459 -1.164 1.00 0.00 C ATOM 12 C HIS A 2 12.141 -10.808 -0.910 1.00 0.00 C ATOM 13 O HIS A 2 11.511 -11.084 0.112 1.00 0.00 O ATOM 14 CB HIS A 2 13.426 -12.352 -2.441 1.00 0.00 C ATOM 15 CG HIS A 2 12.396 -13.459 -2.407 1.00 0.00 C ATOM 16 ND1 HIS A 2 11.253 -13.469 -3.174 1.00 0.00 N ATOM 17 CD2 HIS A 2 12.366 -14.605 -1.682 1.00 0.00 C ATOM 18 CE1 HIS A 2 10.576 -14.586 -2.897 1.00 0.00 C ATOM 19 NE2 HIS A 2 11.212 -15.315 -1.993 1.00 0.00 N ATOM 0 H HIS A 2 13.034 -12.447 0.609 1.00 0.00 H new ATOM 0 HA HIS A 2 14.245 -10.701 -1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.223 -11.715 -3.302 1.00 0.00 H new ATOM 0 HB3 HIS A 2 14.409 -12.796 -2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 2 13.120 -14.917 -0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.634 -14.859 -3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.917 -16.211 -1.605 1.00 0.00 H new ATOM 27 N MET A 3 11.715 -9.964 -1.799 1.00 0.00 N ATOM 28 CA MET A 3 10.436 -9.319 -1.673 1.00 0.00 C ATOM 29 C MET A 3 9.578 -9.734 -2.850 1.00 0.00 C ATOM 30 O MET A 3 9.942 -9.491 -4.000 1.00 0.00 O ATOM 31 CB MET A 3 10.626 -7.797 -1.652 1.00 0.00 C ATOM 32 CG MET A 3 9.366 -6.988 -1.384 1.00 0.00 C ATOM 33 SD MET A 3 9.694 -5.207 -1.333 1.00 0.00 S ATOM 34 CE MET A 3 8.109 -4.584 -0.770 1.00 0.00 C ATOM 0 H MET A 3 12.240 -9.700 -2.633 1.00 0.00 H new ATOM 0 HA MET A 3 9.948 -9.613 -0.744 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.365 -7.550 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.041 -7.486 -2.611 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.630 -7.198 -2.160 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.929 -7.303 -0.436 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.716 -3.877 -1.500 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.411 -5.414 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.235 -4.082 0.189 1.00 0.00 H new ATOM 44 N GLU A 4 8.490 -10.401 -2.577 1.00 0.00 N ATOM 45 CA GLU A 4 7.592 -10.840 -3.618 1.00 0.00 C ATOM 46 C GLU A 4 6.559 -9.774 -3.829 1.00 0.00 C ATOM 47 O GLU A 4 5.785 -9.500 -2.933 1.00 0.00 O ATOM 48 CB GLU A 4 6.898 -12.129 -3.212 1.00 0.00 C ATOM 49 CG GLU A 4 6.008 -12.713 -4.303 1.00 0.00 C ATOM 50 CD GLU A 4 5.297 -13.967 -3.876 1.00 0.00 C ATOM 51 OE1 GLU A 4 5.928 -15.038 -3.848 1.00 0.00 O ATOM 52 OE2 GLU A 4 4.083 -13.910 -3.578 1.00 0.00 O ATOM 0 H GLU A 4 8.199 -10.656 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 4 8.157 -11.020 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.652 -12.866 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.295 -11.943 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.270 -11.967 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.615 -12.928 -5.182 1.00 0.00 H new ATOM 59 N LEU A 5 6.568 -9.161 -4.975 1.00 0.00 N ATOM 60 CA LEU A 5 5.630 -8.112 -5.282 1.00 0.00 C ATOM 61 C LEU A 5 4.369 -8.710 -5.865 1.00 0.00 C ATOM 62 O LEU A 5 4.398 -9.337 -6.932 1.00 0.00 O ATOM 63 CB LEU A 5 6.229 -7.088 -6.260 1.00 0.00 C ATOM 64 CG LEU A 5 7.533 -6.379 -5.841 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.468 -5.850 -4.430 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.770 -7.239 -6.073 1.00 0.00 C ATOM 0 H LEU A 5 7.225 -9.371 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 5 5.393 -7.588 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.412 -7.595 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.476 -6.323 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 5 7.632 -5.515 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.409 -5.360 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.652 -5.132 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.296 -6.676 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.658 -6.690 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.688 -8.158 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.849 -7.485 -7.132 1.00 0.00 H new ATOM 78 N PHE A 6 3.277 -8.534 -5.193 1.00 0.00 N ATOM 79 CA PHE A 6 2.046 -9.108 -5.625 1.00 0.00 C ATOM 80 C PHE A 6 0.884 -8.113 -5.613 1.00 0.00 C ATOM 81 O PHE A 6 0.776 -7.262 -4.735 1.00 0.00 O ATOM 82 CB PHE A 6 1.709 -10.373 -4.825 1.00 0.00 C ATOM 83 CG PHE A 6 1.797 -10.244 -3.342 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.777 -9.654 -2.635 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.893 -10.713 -2.661 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.846 -9.530 -1.269 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.972 -10.598 -1.296 1.00 0.00 C ATOM 88 CZ PHE A 6 1.946 -10.002 -0.596 1.00 0.00 C ATOM 0 H PHE A 6 3.214 -7.990 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 6 2.191 -9.394 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.698 -10.686 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.381 -11.171 -5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.090 -9.283 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.702 -11.177 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.038 -9.063 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.838 -10.974 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.007 -9.906 0.478 1.00 0.00 H new ATOM 98 N PRO A 7 0.030 -8.187 -6.617 1.00 0.00 N ATOM 99 CA PRO A 7 -1.148 -7.352 -6.699 1.00 0.00 C ATOM 100 C PRO A 7 -2.257 -7.848 -5.788 1.00 0.00 C ATOM 101 O PRO A 7 -2.660 -9.017 -5.840 1.00 0.00 O ATOM 102 CB PRO A 7 -1.592 -7.491 -8.141 1.00 0.00 C ATOM 103 CG PRO A 7 -1.065 -8.820 -8.585 1.00 0.00 C ATOM 104 CD PRO A 7 0.164 -9.085 -7.772 1.00 0.00 C ATOM 0 HA PRO A 7 -0.933 -6.327 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.678 -7.450 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.194 -6.684 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.808 -9.603 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.831 -8.808 -9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.219 -10.128 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.070 -8.873 -8.339 1.00 0.00 H new ATOM 112 N VAL A 8 -2.722 -6.994 -4.949 1.00 0.00 N ATOM 113 CA VAL A 8 -3.828 -7.299 -4.100 1.00 0.00 C ATOM 114 C VAL A 8 -4.991 -6.463 -4.536 1.00 0.00 C ATOM 115 O VAL A 8 -5.063 -5.284 -4.216 1.00 0.00 O ATOM 116 CB VAL A 8 -3.536 -7.019 -2.602 1.00 0.00 C ATOM 117 CG1 VAL A 8 -4.676 -7.504 -1.712 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.221 -7.631 -2.178 1.00 0.00 C ATOM 0 H VAL A 8 -2.346 -6.054 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.037 -8.365 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.458 -5.939 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.439 -7.292 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.596 -6.989 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.808 -8.578 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.044 -7.418 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.256 -8.710 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.413 -7.207 -2.775 1.00 0.00 H new ATOM 128 N GLU A 9 -5.848 -7.034 -5.325 1.00 0.00 N ATOM 129 CA GLU A 9 -7.005 -6.334 -5.775 1.00 0.00 C ATOM 130 C GLU A 9 -8.032 -6.371 -4.677 1.00 0.00 C ATOM 131 O GLU A 9 -8.637 -7.409 -4.404 1.00 0.00 O ATOM 132 CB GLU A 9 -7.544 -6.934 -7.062 1.00 0.00 C ATOM 133 CG GLU A 9 -8.715 -6.171 -7.643 1.00 0.00 C ATOM 134 CD GLU A 9 -9.200 -6.781 -8.912 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.972 -7.759 -8.857 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.811 -6.316 -9.996 1.00 0.00 O ATOM 0 H GLU A 9 -5.764 -7.990 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.748 -5.299 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.742 -6.970 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.850 -7.963 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.528 -6.147 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.420 -5.138 -7.826 1.00 0.00 H new ATOM 143 N LEU A 10 -8.174 -5.274 -4.016 1.00 0.00 N ATOM 144 CA LEU A 10 -9.066 -5.179 -2.918 1.00 0.00 C ATOM 145 C LEU A 10 -10.321 -4.551 -3.455 1.00 0.00 C ATOM 146 O LEU A 10 -10.239 -3.685 -4.332 1.00 0.00 O ATOM 147 CB LEU A 10 -8.439 -4.234 -1.887 1.00 0.00 C ATOM 148 CG LEU A 10 -8.714 -4.457 -0.390 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.190 -4.467 -0.059 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.028 -5.715 0.092 1.00 0.00 C ATOM 0 H LEU A 10 -7.670 -4.413 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.269 -6.147 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.359 -4.266 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.763 -3.222 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.293 -3.606 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.322 -4.628 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.632 -3.511 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.681 -5.269 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.233 -5.858 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.403 -6.571 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.953 -5.624 -0.061 1.00 0.00 H new ATOM 162 N GLU A 11 -11.455 -4.991 -3.017 1.00 0.00 N ATOM 163 CA GLU A 11 -12.643 -4.308 -3.375 1.00 0.00 C ATOM 164 C GLU A 11 -13.236 -3.675 -2.138 1.00 0.00 C ATOM 165 O GLU A 11 -14.038 -4.281 -1.418 1.00 0.00 O ATOM 166 CB GLU A 11 -13.646 -5.176 -4.118 1.00 0.00 C ATOM 167 CG GLU A 11 -14.750 -4.345 -4.733 1.00 0.00 C ATOM 168 CD GLU A 11 -15.692 -5.120 -5.598 1.00 0.00 C ATOM 169 OE1 GLU A 11 -15.242 -5.989 -6.369 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.894 -4.811 -5.587 1.00 0.00 O ATOM 0 H GLU A 11 -11.579 -5.809 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.381 -3.529 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.134 -5.738 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.077 -5.905 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.318 -3.867 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.302 -3.548 -5.326 1.00 0.00 H new ATOM 177 N LYS A 12 -12.747 -2.500 -1.846 1.00 0.00 N ATOM 178 CA LYS A 12 -13.150 -1.742 -0.729 1.00 0.00 C ATOM 179 C LYS A 12 -14.575 -1.207 -0.812 1.00 0.00 C ATOM 180 O LYS A 12 -15.249 -1.280 -1.855 1.00 0.00 O ATOM 181 CB LYS A 12 -12.123 -0.654 -0.418 1.00 0.00 C ATOM 182 CG LYS A 12 -11.364 -0.903 0.881 1.00 0.00 C ATOM 183 CD LYS A 12 -12.333 -0.724 2.041 1.00 0.00 C ATOM 184 CE LYS A 12 -11.747 -0.618 3.422 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.724 0.126 4.283 1.00 0.00 N ATOM 0 H LYS A 12 -12.032 -2.042 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.181 -2.430 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.411 -0.588 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.630 0.309 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.944 -1.909 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.529 -0.208 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.920 0.175 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.027 -1.565 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.555 -1.610 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.791 -0.096 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.525 -0.071 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.635 1.147 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.691 -0.181 4.056 1.00 0.00 H new ATOM 199 N ASP A 13 -15.021 -0.707 0.324 1.00 0.00 N ATOM 200 CA ASP A 13 -16.329 -0.165 0.534 1.00 0.00 C ATOM 201 C ASP A 13 -16.436 1.100 -0.292 1.00 0.00 C ATOM 202 O ASP A 13 -15.408 1.660 -0.701 1.00 0.00 O ATOM 203 CB ASP A 13 -16.504 0.193 2.036 1.00 0.00 C ATOM 204 CG ASP A 13 -16.162 -0.937 3.021 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.963 -1.058 3.443 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.061 -1.700 3.420 1.00 0.00 O ATOM 0 H ASP A 13 -14.442 -0.671 1.163 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.095 -0.885 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.876 1.054 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.537 0.499 2.203 1.00 0.00 H new ATOM 211 N GLU A 14 -17.634 1.592 -0.488 1.00 0.00 N ATOM 212 CA GLU A 14 -17.838 2.773 -1.326 1.00 0.00 C ATOM 213 C GLU A 14 -17.294 4.046 -0.657 1.00 0.00 C ATOM 214 O GLU A 14 -17.172 5.111 -1.291 1.00 0.00 O ATOM 215 CB GLU A 14 -19.307 2.915 -1.731 1.00 0.00 C ATOM 216 CG GLU A 14 -20.276 3.011 -0.572 1.00 0.00 C ATOM 217 CD GLU A 14 -21.696 3.133 -1.030 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.078 4.217 -1.526 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.463 2.158 -0.904 1.00 0.00 O ATOM 0 H GLU A 14 -18.487 1.203 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.263 2.634 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.414 3.805 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.584 2.061 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.174 2.128 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.019 3.873 0.043 1.00 0.00 H new ATOM 226 N ASP A 15 -16.990 3.931 0.621 1.00 0.00 N ATOM 227 CA ASP A 15 -16.357 4.992 1.383 1.00 0.00 C ATOM 228 C ASP A 15 -14.936 5.205 0.902 1.00 0.00 C ATOM 229 O ASP A 15 -14.493 6.338 0.695 1.00 0.00 O ATOM 230 CB ASP A 15 -16.319 4.648 2.873 1.00 0.00 C ATOM 231 CG ASP A 15 -15.611 5.712 3.687 1.00 0.00 C ATOM 232 OD1 ASP A 15 -16.223 6.781 3.939 1.00 0.00 O ATOM 233 OD2 ASP A 15 -14.423 5.510 4.061 1.00 0.00 O ATOM 0 H ASP A 15 -17.177 3.090 1.166 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.943 5.899 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.337 4.528 3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.815 3.692 3.011 1.00 0.00 H new ATOM 238 N GLY A 16 -14.247 4.123 0.693 1.00 0.00 N ATOM 239 CA GLY A 16 -12.873 4.176 0.314 1.00 0.00 C ATOM 240 C GLY A 16 -12.093 3.225 1.156 1.00 0.00 C ATOM 241 O GLY A 16 -12.659 2.248 1.657 1.00 0.00 O ATOM 0 H GLY A 16 -14.625 3.180 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.764 3.920 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.489 5.188 0.437 1.00 0.00 H new ATOM 245 N LEU A 17 -10.833 3.494 1.366 1.00 0.00 N ATOM 246 CA LEU A 17 -10.010 2.580 2.130 1.00 0.00 C ATOM 247 C LEU A 17 -10.078 2.923 3.577 1.00 0.00 C ATOM 248 O LEU A 17 -10.300 2.051 4.430 1.00 0.00 O ATOM 249 CB LEU A 17 -8.548 2.657 1.731 1.00 0.00 C ATOM 250 CG LEU A 17 -8.229 2.634 0.269 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.735 2.634 0.076 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.888 1.470 -0.457 1.00 0.00 C ATOM 0 H LEU A 17 -10.353 4.327 1.026 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.393 1.579 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.132 3.573 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.026 1.824 2.202 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.645 3.536 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.506 2.617 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.310 3.532 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.306 1.753 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.622 1.503 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.544 0.530 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.971 1.542 -0.353 1.00 0.00 H new ATOM 264 N GLY A 18 -9.875 4.193 3.852 1.00 0.00 N ATOM 265 CA GLY A 18 -9.798 4.658 5.197 1.00 0.00 C ATOM 266 C GLY A 18 -8.497 4.241 5.842 1.00 0.00 C ATOM 267 O GLY A 18 -8.414 4.121 7.061 1.00 0.00 O ATOM 0 H GLY A 18 -9.761 4.920 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.885 5.744 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.636 4.262 5.771 1.00 0.00 H new ATOM 271 N ILE A 19 -7.481 3.987 5.026 1.00 0.00 N ATOM 272 CA ILE A 19 -6.202 3.575 5.569 1.00 0.00 C ATOM 273 C ILE A 19 -5.243 4.760 5.584 1.00 0.00 C ATOM 274 O ILE A 19 -5.608 5.863 5.174 1.00 0.00 O ATOM 275 CB ILE A 19 -5.564 2.362 4.813 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.033 2.769 3.443 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.593 1.241 4.656 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.267 1.663 2.737 1.00 0.00 C ATOM 0 H ILE A 19 -7.519 4.058 4.009 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.387 3.231 6.587 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.723 2.007 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.869 3.079 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.382 3.635 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.139 0.402 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.927 0.913 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.447 1.608 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.919 2.023 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.411 1.368 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.921 0.803 2.591 1.00 0.00 H new ATOM 290 N SER A 20 -4.054 4.552 6.066 1.00 0.00 N ATOM 291 CA SER A 20 -3.067 5.600 6.159 1.00 0.00 C ATOM 292 C SER A 20 -1.689 5.021 5.922 1.00 0.00 C ATOM 293 O SER A 20 -1.474 3.818 6.118 1.00 0.00 O ATOM 294 CB SER A 20 -3.174 6.260 7.538 1.00 0.00 C ATOM 295 OG SER A 20 -4.467 6.833 7.713 1.00 0.00 O ATOM 0 H SER A 20 -3.734 3.646 6.409 1.00 0.00 H new ATOM 0 HA SER A 20 -3.243 6.360 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.988 5.521 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.410 7.031 7.640 1.00 0.00 H new ATOM 0 HG SER A 20 -4.523 7.250 8.598 1.00 0.00 H new ATOM 301 N ILE A 21 -0.775 5.852 5.508 1.00 0.00 N ATOM 302 CA ILE A 21 0.561 5.435 5.160 1.00 0.00 C ATOM 303 C ILE A 21 1.576 6.073 6.087 1.00 0.00 C ATOM 304 O ILE A 21 1.268 7.057 6.778 1.00 0.00 O ATOM 305 CB ILE A 21 0.884 5.809 3.681 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.814 7.338 3.439 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.037 5.073 2.719 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.097 8.087 3.723 1.00 0.00 C ATOM 0 H ILE A 21 -0.936 6.853 5.400 1.00 0.00 H new ATOM 0 HA ILE A 21 0.617 4.352 5.269 1.00 0.00 H new ATOM 0 HB ILE A 21 1.910 5.494 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.529 7.514 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.022 7.754 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.209 5.352 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.091 3.998 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.072 5.342 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.950 9.149 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.376 7.948 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.891 7.705 3.082 1.00 0.00 H new ATOM 320 N ILE A 22 2.749 5.525 6.126 1.00 0.00 N ATOM 321 CA ILE A 22 3.809 6.115 6.869 1.00 0.00 C ATOM 322 C ILE A 22 5.065 6.166 6.031 1.00 0.00 C ATOM 323 O ILE A 22 5.488 5.157 5.458 1.00 0.00 O ATOM 324 CB ILE A 22 4.042 5.437 8.243 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.111 6.190 9.046 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.375 3.960 8.104 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.330 5.650 10.434 1.00 0.00 C ATOM 0 H ILE A 22 2.995 4.660 5.645 1.00 0.00 H new ATOM 0 HA ILE A 22 3.514 7.137 7.107 1.00 0.00 H new ATOM 0 HB ILE A 22 3.106 5.490 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.054 6.153 8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.825 7.239 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.530 3.527 9.092 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.551 3.446 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.283 3.846 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.100 6.236 10.935 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.400 5.713 11.000 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.648 4.609 10.373 1.00 0.00 H new ATOM 339 N GLY A 23 5.615 7.340 5.907 1.00 0.00 N ATOM 340 CA GLY A 23 6.779 7.524 5.120 1.00 0.00 C ATOM 341 C GLY A 23 8.016 7.312 5.902 1.00 0.00 C ATOM 342 O GLY A 23 8.426 8.176 6.676 1.00 0.00 O ATOM 0 H GLY A 23 5.263 8.188 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.760 6.833 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.781 8.532 4.705 1.00 0.00 H new ATOM 346 N MET A 24 8.592 6.167 5.733 1.00 0.00 N ATOM 347 CA MET A 24 9.836 5.818 6.379 1.00 0.00 C ATOM 348 C MET A 24 10.896 5.842 5.323 1.00 0.00 C ATOM 349 O MET A 24 10.574 5.870 4.139 1.00 0.00 O ATOM 350 CB MET A 24 9.758 4.422 7.019 1.00 0.00 C ATOM 351 CG MET A 24 8.719 4.290 8.128 1.00 0.00 C ATOM 352 SD MET A 24 9.071 5.341 9.558 1.00 0.00 S ATOM 353 CE MET A 24 10.628 4.645 10.113 1.00 0.00 C ATOM 0 H MET A 24 8.215 5.431 5.136 1.00 0.00 H new ATOM 0 HA MET A 24 10.057 6.524 7.179 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.535 3.692 6.241 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.737 4.167 7.424 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.737 4.545 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.672 3.250 8.452 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.809 4.937 11.147 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.585 3.558 10.045 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.437 5.016 9.484 1.00 0.00 H new ATOM 363 N GLY A 25 12.125 5.847 5.705 1.00 0.00 N ATOM 364 CA GLY A 25 13.161 5.873 4.721 1.00 0.00 C ATOM 365 C GLY A 25 14.036 4.677 4.823 1.00 0.00 C ATOM 366 O GLY A 25 14.954 4.646 5.640 1.00 0.00 O ATOM 0 H GLY A 25 12.439 5.834 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.719 5.918 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.760 6.775 4.845 1.00 0.00 H new ATOM 370 N VAL A 26 13.740 3.667 4.047 1.00 0.00 N ATOM 371 CA VAL A 26 14.546 2.482 4.052 1.00 0.00 C ATOM 372 C VAL A 26 15.596 2.572 2.952 1.00 0.00 C ATOM 373 O VAL A 26 15.274 2.655 1.760 1.00 0.00 O ATOM 374 CB VAL A 26 13.701 1.148 3.987 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.816 1.067 2.759 1.00 0.00 C ATOM 376 CG2 VAL A 26 14.600 -0.081 4.088 1.00 0.00 C ATOM 0 H VAL A 26 12.947 3.644 3.406 1.00 0.00 H new ATOM 0 HA VAL A 26 15.057 2.430 5.013 1.00 0.00 H new ATOM 0 HB VAL A 26 13.037 1.166 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.261 0.129 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.116 1.902 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.434 1.111 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.990 -0.983 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.312 -0.080 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.142 -0.059 5.034 1.00 0.00 H new ATOM 386 N GLY A 27 16.834 2.660 3.369 1.00 0.00 N ATOM 387 CA GLY A 27 17.923 2.735 2.441 1.00 0.00 C ATOM 388 C GLY A 27 18.355 1.368 2.000 1.00 0.00 C ATOM 389 O GLY A 27 17.928 0.886 0.957 1.00 0.00 O ATOM 0 H GLY A 27 17.109 2.681 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.625 3.323 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.763 3.253 2.903 1.00 0.00 H new ATOM 393 N ALA A 28 19.168 0.733 2.800 1.00 0.00 N ATOM 394 CA ALA A 28 19.675 -0.581 2.500 1.00 0.00 C ATOM 395 C ALA A 28 19.900 -1.339 3.768 1.00 0.00 C ATOM 396 O ALA A 28 20.858 -1.060 4.500 1.00 0.00 O ATOM 397 CB ALA A 28 20.949 -0.498 1.676 1.00 0.00 C ATOM 0 H ALA A 28 19.500 1.115 3.685 1.00 0.00 H new ATOM 0 HA ALA A 28 18.936 -1.115 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 28 21.311 -1.504 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.743 0.019 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 28 21.708 0.050 2.234 1.00 0.00 H new ATOM 403 N ASP A 29 19.008 -2.282 4.044 1.00 0.00 N ATOM 404 CA ASP A 29 19.084 -3.059 5.280 1.00 0.00 C ATOM 405 C ASP A 29 18.059 -4.173 5.304 1.00 0.00 C ATOM 406 O ASP A 29 18.364 -5.305 5.671 1.00 0.00 O ATOM 407 CB ASP A 29 18.838 -2.155 6.499 1.00 0.00 C ATOM 408 CG ASP A 29 18.966 -2.889 7.812 1.00 0.00 C ATOM 409 OD1 ASP A 29 20.111 -2.997 8.335 1.00 0.00 O ATOM 410 OD2 ASP A 29 17.944 -3.333 8.362 1.00 0.00 O ATOM 0 H ASP A 29 18.228 -2.528 3.435 1.00 0.00 H new ATOM 0 HA ASP A 29 20.084 -3.491 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.548 -1.328 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.841 -1.721 6.427 1.00 0.00 H new ATOM 415 N ALA A 30 16.858 -3.859 4.872 1.00 0.00 N ATOM 416 CA ALA A 30 15.736 -4.764 5.039 1.00 0.00 C ATOM 417 C ALA A 30 15.566 -5.765 3.902 1.00 0.00 C ATOM 418 O ALA A 30 14.921 -6.791 4.078 1.00 0.00 O ATOM 419 CB ALA A 30 14.456 -3.970 5.245 1.00 0.00 C ATOM 0 H ALA A 30 16.630 -2.983 4.401 1.00 0.00 H new ATOM 0 HA ALA A 30 15.956 -5.361 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.618 -4.656 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.552 -3.349 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 30 14.278 -3.334 4.377 1.00 0.00 H new ATOM 425 N GLY A 31 16.110 -5.473 2.746 1.00 0.00 N ATOM 426 CA GLY A 31 15.919 -6.357 1.605 1.00 0.00 C ATOM 427 C GLY A 31 14.896 -5.770 0.668 1.00 0.00 C ATOM 428 O GLY A 31 14.671 -6.262 -0.442 1.00 0.00 O ATOM 0 H GLY A 31 16.680 -4.647 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.865 -6.500 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.592 -7.339 1.946 1.00 0.00 H new ATOM 432 N LEU A 32 14.277 -4.705 1.131 1.00 0.00 N ATOM 433 CA LEU A 32 13.273 -3.991 0.385 1.00 0.00 C ATOM 434 C LEU A 32 13.943 -2.966 -0.510 1.00 0.00 C ATOM 435 O LEU A 32 13.644 -2.894 -1.698 1.00 0.00 O ATOM 436 CB LEU A 32 12.232 -3.319 1.320 1.00 0.00 C ATOM 437 CG LEU A 32 11.178 -4.239 2.008 1.00 0.00 C ATOM 438 CD1 LEU A 32 11.808 -5.294 2.905 1.00 0.00 C ATOM 439 CD2 LEU A 32 10.193 -3.410 2.805 1.00 0.00 C ATOM 0 H LEU A 32 14.463 -4.308 2.052 1.00 0.00 H new ATOM 0 HA LEU A 32 12.728 -4.705 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.776 -2.789 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.695 -2.569 0.740 1.00 0.00 H new ATOM 0 HG LEU A 32 10.657 -4.765 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.025 -5.903 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.466 -5.929 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.385 -4.806 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.464 -4.067 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.727 -2.848 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.678 -2.717 2.139 1.00 0.00 H new ATOM 451 N GLU A 33 14.861 -2.191 0.085 1.00 0.00 N ATOM 452 CA GLU A 33 15.683 -1.185 -0.604 1.00 0.00 C ATOM 453 C GLU A 33 14.932 -0.356 -1.641 1.00 0.00 C ATOM 454 O GLU A 33 15.377 -0.196 -2.791 1.00 0.00 O ATOM 455 CB GLU A 33 16.934 -1.814 -1.191 1.00 0.00 C ATOM 456 CG GLU A 33 18.002 -2.115 -0.163 1.00 0.00 C ATOM 457 CD GLU A 33 17.623 -3.154 0.879 1.00 0.00 C ATOM 458 OE1 GLU A 33 17.033 -2.803 1.958 1.00 0.00 O ATOM 459 OE2 GLU A 33 17.905 -4.329 0.653 1.00 0.00 O ATOM 0 H GLU A 33 15.058 -2.248 1.084 1.00 0.00 H new ATOM 0 HA GLU A 33 15.976 -0.471 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.661 -2.738 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.347 -1.145 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.898 -2.455 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.262 -1.189 0.349 1.00 0.00 H new ATOM 466 N LYS A 34 13.831 0.178 -1.224 1.00 0.00 N ATOM 467 CA LYS A 34 12.973 0.968 -2.046 1.00 0.00 C ATOM 468 C LYS A 34 12.269 1.966 -1.151 1.00 0.00 C ATOM 469 O LYS A 34 12.816 2.346 -0.123 1.00 0.00 O ATOM 470 CB LYS A 34 11.970 0.052 -2.797 1.00 0.00 C ATOM 471 CG LYS A 34 11.122 -0.878 -1.920 1.00 0.00 C ATOM 472 CD LYS A 34 10.075 -1.646 -2.738 1.00 0.00 C ATOM 473 CE LYS A 34 10.693 -2.475 -3.864 1.00 0.00 C ATOM 474 NZ LYS A 34 11.600 -3.541 -3.374 1.00 0.00 N ATOM 0 H LYS A 34 13.492 0.073 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 34 13.540 1.507 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.298 0.683 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.528 -0.559 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.773 -1.587 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.621 -0.292 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.514 -2.304 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.363 -0.939 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.895 -2.928 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.246 -1.814 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.920 -4.120 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.424 -3.109 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.093 -4.142 -2.693 1.00 0.00 H new ATOM 488 N LEU A 35 11.118 2.423 -1.580 1.00 0.00 N ATOM 489 CA LEU A 35 10.252 3.302 -0.817 1.00 0.00 C ATOM 490 C LEU A 35 10.056 2.773 0.608 1.00 0.00 C ATOM 491 O LEU A 35 10.025 1.567 0.828 1.00 0.00 O ATOM 492 CB LEU A 35 8.901 3.365 -1.529 1.00 0.00 C ATOM 493 CG LEU A 35 8.159 2.021 -1.654 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.983 1.945 -0.715 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.744 1.744 -3.072 1.00 0.00 C ATOM 0 H LEU A 35 10.742 2.189 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 35 10.703 4.292 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.260 4.067 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.055 3.771 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 35 8.862 1.241 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.485 0.982 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.331 2.051 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.281 2.747 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.224 0.787 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.079 2.536 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.628 1.708 -3.709 1.00 0.00 H new ATOM 507 N GLY A 36 9.952 3.656 1.553 1.00 0.00 N ATOM 508 CA GLY A 36 9.704 3.238 2.899 1.00 0.00 C ATOM 509 C GLY A 36 8.291 3.538 3.310 1.00 0.00 C ATOM 510 O GLY A 36 8.015 3.796 4.468 1.00 0.00 O ATOM 0 H GLY A 36 10.034 4.664 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.893 2.168 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.396 3.743 3.573 1.00 0.00 H new ATOM 514 N ILE A 37 7.396 3.521 2.364 1.00 0.00 N ATOM 515 CA ILE A 37 6.011 3.806 2.642 1.00 0.00 C ATOM 516 C ILE A 37 5.321 2.566 3.157 1.00 0.00 C ATOM 517 O ILE A 37 4.959 1.668 2.397 1.00 0.00 O ATOM 518 CB ILE A 37 5.238 4.329 1.417 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.954 5.539 0.781 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.812 4.704 1.840 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.952 6.780 1.617 1.00 0.00 C ATOM 0 H ILE A 37 7.599 3.312 1.387 1.00 0.00 H new ATOM 0 HA ILE A 37 6.009 4.595 3.394 1.00 0.00 H new ATOM 0 HB ILE A 37 5.197 3.542 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.987 5.262 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.481 5.761 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.262 5.075 0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.308 3.824 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.851 5.480 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.477 7.576 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.924 7.088 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.453 6.581 2.564 1.00 0.00 H new ATOM 533 N PHE A 38 5.159 2.512 4.423 1.00 0.00 N ATOM 534 CA PHE A 38 4.508 1.403 5.046 1.00 0.00 C ATOM 535 C PHE A 38 3.079 1.761 5.339 1.00 0.00 C ATOM 536 O PHE A 38 2.692 2.934 5.231 1.00 0.00 O ATOM 537 CB PHE A 38 5.236 0.984 6.321 1.00 0.00 C ATOM 538 CG PHE A 38 6.607 0.396 6.077 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.748 -0.954 5.806 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.745 1.185 6.118 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.994 -1.505 5.579 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.993 0.641 5.893 1.00 0.00 C ATOM 543 CZ PHE A 38 9.120 -0.705 5.622 1.00 0.00 C ATOM 0 H PHE A 38 5.473 3.236 5.070 1.00 0.00 H new ATOM 0 HA PHE A 38 4.530 0.553 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.334 1.851 6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.627 0.253 6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.872 -1.585 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.654 2.240 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.088 -2.560 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.870 1.270 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.096 -1.132 5.444 1.00 0.00 H new ATOM 553 N VAL A 39 2.293 0.785 5.669 1.00 0.00 N ATOM 554 CA VAL A 39 0.921 1.023 6.017 1.00 0.00 C ATOM 555 C VAL A 39 0.853 1.433 7.485 1.00 0.00 C ATOM 556 O VAL A 39 1.169 0.658 8.374 1.00 0.00 O ATOM 557 CB VAL A 39 0.032 -0.219 5.747 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.428 0.091 6.038 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.200 -0.685 4.304 1.00 0.00 C ATOM 0 H VAL A 39 2.578 -0.194 5.706 1.00 0.00 H new ATOM 0 HA VAL A 39 0.532 1.825 5.390 1.00 0.00 H new ATOM 0 HB VAL A 39 0.350 -1.021 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.034 -0.794 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.537 0.381 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.761 0.908 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.429 -1.557 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.093 0.117 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.243 -0.948 4.126 1.00 0.00 H new ATOM 569 N LYS A 40 0.466 2.660 7.705 1.00 0.00 N ATOM 570 CA LYS A 40 0.409 3.248 9.030 1.00 0.00 C ATOM 571 C LYS A 40 -0.803 2.755 9.787 1.00 0.00 C ATOM 572 O LYS A 40 -0.720 2.403 10.959 1.00 0.00 O ATOM 573 CB LYS A 40 0.331 4.773 8.897 1.00 0.00 C ATOM 574 CG LYS A 40 0.161 5.546 10.188 1.00 0.00 C ATOM 575 CD LYS A 40 1.351 5.427 11.110 1.00 0.00 C ATOM 576 CE LYS A 40 1.047 6.141 12.397 1.00 0.00 C ATOM 577 NZ LYS A 40 2.192 6.171 13.330 1.00 0.00 N ATOM 0 H LYS A 40 0.175 3.295 6.962 1.00 0.00 H new ATOM 0 HA LYS A 40 1.304 2.958 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.239 5.122 8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.502 5.018 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.007 6.598 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.729 5.187 10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.573 4.378 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.235 5.858 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.741 7.163 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.202 5.654 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.920 6.676 14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.471 5.198 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.993 6.660 12.881 1.00 0.00 H new ATOM 591 N THR A 41 -1.923 2.753 9.126 1.00 0.00 N ATOM 592 CA THR A 41 -3.171 2.394 9.744 1.00 0.00 C ATOM 593 C THR A 41 -4.061 1.841 8.661 1.00 0.00 C ATOM 594 O THR A 41 -3.807 2.071 7.465 1.00 0.00 O ATOM 595 CB THR A 41 -3.872 3.644 10.287 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.905 4.554 10.851 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.889 3.308 11.368 1.00 0.00 C ATOM 0 H THR A 41 -2.000 3.001 8.140 1.00 0.00 H new ATOM 0 HA THR A 41 -2.988 1.684 10.551 1.00 0.00 H new ATOM 0 HB THR A 41 -4.390 4.102 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.365 5.349 11.193 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.360 4.225 11.722 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.650 2.644 10.958 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.386 2.814 12.199 1.00 0.00 H new ATOM 605 N VAL A 42 -5.079 1.157 9.056 1.00 0.00 N ATOM 606 CA VAL A 42 -6.035 0.596 8.172 1.00 0.00 C ATOM 607 C VAL A 42 -7.429 0.911 8.741 1.00 0.00 C ATOM 608 O VAL A 42 -7.551 1.244 9.926 1.00 0.00 O ATOM 609 CB VAL A 42 -5.845 -0.969 8.035 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.842 -1.570 7.079 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.450 -1.323 7.568 1.00 0.00 C ATOM 0 H VAL A 42 -5.273 0.968 10.039 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.912 1.023 7.176 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.008 -1.383 9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.679 -2.646 7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.853 -1.378 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.717 -1.122 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.358 -2.406 7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.266 -0.868 6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.720 -0.950 8.287 1.00 0.00 H new ATOM 621 N THR A 43 -8.446 0.883 7.877 1.00 0.00 N ATOM 622 CA THR A 43 -9.843 0.969 8.273 1.00 0.00 C ATOM 623 C THR A 43 -10.086 -0.056 9.404 1.00 0.00 C ATOM 624 O THR A 43 -9.504 -1.145 9.387 1.00 0.00 O ATOM 625 CB THR A 43 -10.736 0.606 7.041 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.138 0.697 7.321 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.450 -0.798 6.592 1.00 0.00 C ATOM 0 H THR A 43 -8.314 0.799 6.869 1.00 0.00 H new ATOM 0 HA THR A 43 -10.088 1.974 8.618 1.00 0.00 H new ATOM 0 HB THR A 43 -10.490 1.331 6.265 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.518 1.462 6.842 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.077 -1.040 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.401 -0.883 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.665 -1.491 7.406 1.00 0.00 H new ATOM 635 N GLU A 44 -10.944 0.279 10.323 1.00 0.00 N ATOM 636 CA GLU A 44 -11.195 -0.522 11.502 1.00 0.00 C ATOM 637 C GLU A 44 -11.671 -1.933 11.160 1.00 0.00 C ATOM 638 O GLU A 44 -11.277 -2.895 11.798 1.00 0.00 O ATOM 639 CB GLU A 44 -12.192 0.188 12.379 1.00 0.00 C ATOM 640 CG GLU A 44 -13.491 0.475 11.688 1.00 0.00 C ATOM 641 CD GLU A 44 -14.426 1.267 12.549 1.00 0.00 C ATOM 642 OE1 GLU A 44 -14.205 2.483 12.712 1.00 0.00 O ATOM 643 OE2 GLU A 44 -15.392 0.694 13.072 1.00 0.00 O ATOM 0 H GLU A 44 -11.503 1.131 10.280 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.254 -0.641 12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.385 -0.420 13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.758 1.126 12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.297 1.023 10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.966 -0.465 11.407 1.00 0.00 H new ATOM 650 N GLY A 45 -12.503 -2.047 10.152 1.00 0.00 N ATOM 651 CA GLY A 45 -12.948 -3.336 9.745 1.00 0.00 C ATOM 652 C GLY A 45 -13.790 -3.288 8.540 1.00 0.00 C ATOM 653 O GLY A 45 -14.839 -3.939 8.465 1.00 0.00 O ATOM 0 H GLY A 45 -12.875 -1.266 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.083 -3.972 9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.509 -3.796 10.558 1.00 0.00 H new ATOM 657 N GLY A 46 -13.347 -2.513 7.581 1.00 0.00 N ATOM 658 CA GLY A 46 -13.983 -2.477 6.356 1.00 0.00 C ATOM 659 C GLY A 46 -13.380 -3.523 5.502 1.00 0.00 C ATOM 660 O GLY A 46 -12.559 -4.318 5.982 1.00 0.00 O ATOM 0 H GLY A 46 -12.534 -1.903 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.052 -2.651 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.869 -1.496 5.895 1.00 0.00 H new ATOM 664 N ALA A 47 -13.663 -3.456 4.262 1.00 0.00 N ATOM 665 CA ALA A 47 -13.285 -4.497 3.289 1.00 0.00 C ATOM 666 C ALA A 47 -11.778 -4.839 3.241 1.00 0.00 C ATOM 667 O ALA A 47 -11.411 -5.885 2.778 1.00 0.00 O ATOM 668 CB ALA A 47 -13.778 -4.162 1.921 1.00 0.00 C ATOM 0 H ALA A 47 -14.173 -2.676 3.848 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.778 -5.398 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.484 -4.948 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.865 -4.079 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.346 -3.214 1.601 1.00 0.00 H new ATOM 674 N ALA A 48 -10.932 -3.962 3.769 1.00 0.00 N ATOM 675 CA ALA A 48 -9.492 -4.181 3.760 1.00 0.00 C ATOM 676 C ALA A 48 -9.140 -5.243 4.785 1.00 0.00 C ATOM 677 O ALA A 48 -8.593 -6.282 4.443 1.00 0.00 O ATOM 678 CB ALA A 48 -8.744 -2.887 4.038 1.00 0.00 C ATOM 0 H ALA A 48 -11.221 -3.089 4.210 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.189 -4.526 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.671 -3.077 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.991 -2.152 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.033 -2.502 5.016 1.00 0.00 H new ATOM 684 N GLN A 49 -9.479 -4.992 6.050 1.00 0.00 N ATOM 685 CA GLN A 49 -9.272 -6.004 7.066 1.00 0.00 C ATOM 686 C GLN A 49 -10.227 -7.192 6.901 1.00 0.00 C ATOM 687 O GLN A 49 -9.921 -8.304 7.325 1.00 0.00 O ATOM 688 CB GLN A 49 -9.286 -5.420 8.479 1.00 0.00 C ATOM 689 CG GLN A 49 -8.040 -4.611 8.772 1.00 0.00 C ATOM 690 CD GLN A 49 -7.878 -4.286 10.238 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.278 -5.051 10.994 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.363 -3.172 10.647 1.00 0.00 N ATOM 0 H GLN A 49 -9.887 -4.118 6.382 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.268 -6.400 6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.165 -4.788 8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.372 -6.229 9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.166 -5.164 8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.074 -3.683 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.855 -2.560 9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.257 -2.898 11.624 1.00 0.00 H new ATOM 701 N ARG A 50 -11.373 -6.957 6.257 1.00 0.00 N ATOM 702 CA ARG A 50 -12.295 -8.042 5.931 1.00 0.00 C ATOM 703 C ARG A 50 -11.662 -8.973 4.919 1.00 0.00 C ATOM 704 O ARG A 50 -11.873 -10.186 4.975 1.00 0.00 O ATOM 705 CB ARG A 50 -13.609 -7.526 5.371 1.00 0.00 C ATOM 706 CG ARG A 50 -14.436 -6.743 6.358 1.00 0.00 C ATOM 707 CD ARG A 50 -15.012 -7.623 7.433 1.00 0.00 C ATOM 708 NE ARG A 50 -15.753 -6.845 8.429 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.992 -7.127 8.846 1.00 0.00 C ATOM 710 NH1 ARG A 50 -17.707 -8.072 8.238 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.531 -6.436 9.837 1.00 0.00 N ATOM 0 H ARG A 50 -11.681 -6.033 5.954 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.505 -8.575 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.400 -6.895 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.196 -8.372 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.819 -5.969 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.245 -6.236 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.674 -8.362 6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.208 -8.172 7.924 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.291 -6.030 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.310 -8.584 7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.652 -8.283 8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.002 -5.687 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.476 -6.652 10.154 1.00 0.00 H new ATOM 725 N ASP A 51 -10.894 -8.394 3.980 1.00 0.00 N ATOM 726 CA ASP A 51 -10.184 -9.187 2.966 1.00 0.00 C ATOM 727 C ASP A 51 -9.275 -10.191 3.646 1.00 0.00 C ATOM 728 O ASP A 51 -9.430 -11.398 3.468 1.00 0.00 O ATOM 729 CB ASP A 51 -9.367 -8.294 2.022 1.00 0.00 C ATOM 730 CG ASP A 51 -8.623 -9.094 0.976 1.00 0.00 C ATOM 731 OD1 ASP A 51 -7.511 -9.578 1.264 1.00 0.00 O ATOM 732 OD2 ASP A 51 -9.153 -9.270 -0.151 1.00 0.00 O ATOM 0 H ASP A 51 -10.751 -7.387 3.903 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.927 -9.712 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.033 -7.586 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.654 -7.710 2.604 1.00 0.00 H new ATOM 737 N GLY A 52 -8.351 -9.694 4.433 1.00 0.00 N ATOM 738 CA GLY A 52 -7.520 -10.568 5.215 1.00 0.00 C ATOM 739 C GLY A 52 -6.105 -10.702 4.709 1.00 0.00 C ATOM 740 O GLY A 52 -5.219 -11.117 5.463 1.00 0.00 O ATOM 0 H GLY A 52 -8.159 -8.699 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.493 -10.201 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.978 -11.557 5.242 1.00 0.00 H new ATOM 744 N ARG A 53 -5.871 -10.392 3.450 1.00 0.00 N ATOM 745 CA ARG A 53 -4.527 -10.474 2.906 1.00 0.00 C ATOM 746 C ARG A 53 -3.765 -9.275 3.386 1.00 0.00 C ATOM 747 O ARG A 53 -2.801 -9.408 4.133 1.00 0.00 O ATOM 748 CB ARG A 53 -4.593 -10.525 1.362 1.00 0.00 C ATOM 749 CG ARG A 53 -3.320 -10.951 0.586 1.00 0.00 C ATOM 750 CD ARG A 53 -2.199 -9.910 0.537 1.00 0.00 C ATOM 751 NE ARG A 53 -1.216 -9.994 1.634 1.00 0.00 N ATOM 752 CZ ARG A 53 -0.578 -8.935 2.186 1.00 0.00 C ATOM 753 NH1 ARG A 53 -0.898 -7.699 1.811 1.00 0.00 N ATOM 754 NH2 ARG A 53 0.377 -9.114 3.108 1.00 0.00 N ATOM 0 H ARG A 53 -6.584 -10.084 2.789 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.021 -11.380 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.395 -11.209 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.882 -9.535 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.927 -11.861 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.605 -11.201 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.671 -10.012 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.647 -8.916 0.547 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.001 -10.920 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.623 -7.551 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.418 -6.900 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.631 -10.057 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.850 -8.307 3.516 1.00 0.00 H new ATOM 768 N ILE A 54 -4.252 -8.105 3.014 1.00 0.00 N ATOM 769 CA ILE A 54 -3.577 -6.862 3.317 1.00 0.00 C ATOM 770 C ILE A 54 -3.631 -6.578 4.816 1.00 0.00 C ATOM 771 O ILE A 54 -4.643 -6.864 5.482 1.00 0.00 O ATOM 772 CB ILE A 54 -4.185 -5.674 2.512 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.263 -4.450 2.577 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.570 -5.315 3.061 1.00 0.00 C ATOM 775 CD1 ILE A 54 -3.691 -3.320 1.667 1.00 0.00 C ATOM 0 H ILE A 54 -5.123 -7.993 2.496 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.534 -6.966 3.018 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.284 -5.981 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.229 -4.085 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.250 -4.754 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.983 -4.484 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.230 -6.178 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.483 -5.027 4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.993 -2.489 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.698 -3.667 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.692 -2.988 1.945 1.00 0.00 H new ATOM 787 N GLN A 55 -2.553 -6.070 5.349 1.00 0.00 N ATOM 788 CA GLN A 55 -2.500 -5.754 6.743 1.00 0.00 C ATOM 789 C GLN A 55 -1.829 -4.415 6.989 1.00 0.00 C ATOM 790 O GLN A 55 -1.232 -3.819 6.095 1.00 0.00 O ATOM 791 CB GLN A 55 -1.795 -6.857 7.559 1.00 0.00 C ATOM 792 CG GLN A 55 -2.545 -8.184 7.653 1.00 0.00 C ATOM 793 CD GLN A 55 -3.836 -8.094 8.465 1.00 0.00 C ATOM 794 OE1 GLN A 55 -4.502 -7.053 8.521 1.00 0.00 O ATOM 795 NE2 GLN A 55 -4.177 -9.160 9.133 1.00 0.00 N ATOM 0 H GLN A 55 -1.697 -5.867 4.832 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.534 -5.690 7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.816 -7.043 7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.623 -6.484 8.569 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.780 -8.532 6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.892 -8.931 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.610 -10.005 9.069 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.011 -9.149 9.720 1.00 0.00 H new ATOM 804 N VAL A 56 -1.864 -3.990 8.238 1.00 0.00 N ATOM 805 CA VAL A 56 -1.299 -2.711 8.679 1.00 0.00 C ATOM 806 C VAL A 56 0.236 -2.845 8.902 1.00 0.00 C ATOM 807 O VAL A 56 0.858 -2.086 9.625 1.00 0.00 O ATOM 808 CB VAL A 56 -2.021 -2.249 9.995 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.709 -3.163 11.180 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.755 -0.777 10.320 1.00 0.00 C ATOM 0 H VAL A 56 -2.291 -4.526 8.993 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.459 -1.958 7.907 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.090 -2.338 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.231 -2.802 12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.038 -4.177 10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.635 -3.163 11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.276 -0.507 11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.684 -0.621 10.451 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.115 -0.153 9.502 1.00 0.00 H new ATOM 820 N ASN A 57 0.834 -3.802 8.251 1.00 0.00 N ATOM 821 CA ASN A 57 2.258 -4.041 8.412 1.00 0.00 C ATOM 822 C ASN A 57 2.882 -4.247 7.033 1.00 0.00 C ATOM 823 O ASN A 57 4.024 -4.701 6.882 1.00 0.00 O ATOM 824 CB ASN A 57 2.465 -5.264 9.331 1.00 0.00 C ATOM 825 CG ASN A 57 3.892 -5.427 9.839 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.714 -6.122 9.243 1.00 0.00 O ATOM 827 ND2 ASN A 57 4.196 -4.780 10.945 1.00 0.00 N ATOM 0 H ASN A 57 0.366 -4.434 7.602 1.00 0.00 H new ATOM 0 HA ASN A 57 2.748 -3.187 8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.794 -5.180 10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.179 -6.165 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.137 -4.847 11.332 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.490 -4.212 11.414 1.00 0.00 H new ATOM 834 N ASP A 58 2.119 -3.902 6.016 1.00 0.00 N ATOM 835 CA ASP A 58 2.572 -4.040 4.640 1.00 0.00 C ATOM 836 C ASP A 58 3.219 -2.760 4.156 1.00 0.00 C ATOM 837 O ASP A 58 3.330 -1.777 4.904 1.00 0.00 O ATOM 838 CB ASP A 58 1.426 -4.396 3.680 1.00 0.00 C ATOM 839 CG ASP A 58 0.877 -5.798 3.812 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.657 -6.772 3.906 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.347 -5.954 3.787 1.00 0.00 O ATOM 0 H ASP A 58 1.177 -3.522 6.114 1.00 0.00 H new ATOM 0 HA ASP A 58 3.296 -4.855 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.611 -3.689 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.776 -4.257 2.657 1.00 0.00 H new ATOM 846 N GLN A 59 3.614 -2.765 2.907 1.00 0.00 N ATOM 847 CA GLN A 59 4.231 -1.637 2.271 1.00 0.00 C ATOM 848 C GLN A 59 3.599 -1.424 0.897 1.00 0.00 C ATOM 849 O GLN A 59 3.572 -2.338 0.079 1.00 0.00 O ATOM 850 CB GLN A 59 5.736 -1.869 2.150 1.00 0.00 C ATOM 851 CG GLN A 59 6.441 -0.794 1.369 1.00 0.00 C ATOM 852 CD GLN A 59 7.929 -0.891 1.425 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.555 -1.542 0.601 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.508 -0.229 2.386 1.00 0.00 N ATOM 0 H GLN A 59 3.511 -3.574 2.294 1.00 0.00 H new ATOM 0 HA GLN A 59 4.073 -0.741 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.169 -1.927 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.911 -2.832 1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.121 -0.844 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.134 0.180 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.945 0.301 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.524 -0.241 2.473 1.00 0.00 H new ATOM 863 N ILE A 60 3.099 -0.229 0.650 1.00 0.00 N ATOM 864 CA ILE A 60 2.416 0.071 -0.606 1.00 0.00 C ATOM 865 C ILE A 60 3.443 0.281 -1.713 1.00 0.00 C ATOM 866 O ILE A 60 4.187 1.237 -1.684 1.00 0.00 O ATOM 867 CB ILE A 60 1.567 1.366 -0.520 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.578 1.343 0.661 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.818 1.555 -1.823 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.404 0.188 0.650 1.00 0.00 C ATOM 0 H ILE A 60 3.150 0.555 1.300 1.00 0.00 H new ATOM 0 HA ILE A 60 1.761 -0.775 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 60 2.246 2.202 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.146 1.309 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.017 2.278 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.219 2.464 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.531 1.638 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.165 0.699 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.058 0.258 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.004 0.229 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.143 -0.755 0.682 1.00 0.00 H new ATOM 882 N VAL A 61 3.464 -0.593 -2.679 1.00 0.00 N ATOM 883 CA VAL A 61 4.441 -0.498 -3.755 1.00 0.00 C ATOM 884 C VAL A 61 3.835 0.203 -4.999 1.00 0.00 C ATOM 885 O VAL A 61 4.406 1.158 -5.552 1.00 0.00 O ATOM 886 CB VAL A 61 4.976 -1.916 -4.102 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.947 -1.905 -5.245 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.604 -2.564 -2.878 1.00 0.00 C ATOM 0 H VAL A 61 2.822 -1.382 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 61 5.278 0.115 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 61 4.118 -2.507 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.287 -2.921 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.458 -1.506 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.802 -1.279 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.973 -3.556 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.433 -1.950 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.857 -2.652 -2.089 1.00 0.00 H new ATOM 898 N GLU A 62 2.676 -0.240 -5.405 1.00 0.00 N ATOM 899 CA GLU A 62 1.990 0.312 -6.562 1.00 0.00 C ATOM 900 C GLU A 62 0.492 0.194 -6.364 1.00 0.00 C ATOM 901 O GLU A 62 -0.028 -0.890 -6.248 1.00 0.00 O ATOM 902 CB GLU A 62 2.411 -0.430 -7.854 1.00 0.00 C ATOM 903 CG GLU A 62 1.612 -0.041 -9.082 1.00 0.00 C ATOM 904 CD GLU A 62 1.931 -0.876 -10.282 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.981 -0.648 -10.903 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.115 -1.738 -10.657 1.00 0.00 O ATOM 0 H GLU A 62 2.171 -0.998 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 62 2.264 1.362 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.466 -0.235 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.309 -1.503 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.549 -0.129 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.803 1.006 -9.315 1.00 0.00 H new ATOM 913 N VAL A 63 -0.192 1.299 -6.278 1.00 0.00 N ATOM 914 CA VAL A 63 -1.623 1.255 -6.156 1.00 0.00 C ATOM 915 C VAL A 63 -2.281 1.728 -7.428 1.00 0.00 C ATOM 916 O VAL A 63 -1.893 2.761 -7.971 1.00 0.00 O ATOM 917 CB VAL A 63 -2.114 2.045 -4.911 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.551 2.522 -5.079 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.045 1.130 -3.720 1.00 0.00 C ATOM 0 H VAL A 63 0.213 2.235 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.920 0.218 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.480 2.922 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.859 3.070 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.618 3.176 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.206 1.662 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.385 1.663 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.683 0.263 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.016 0.800 -3.574 1.00 0.00 H new ATOM 929 N ASP A 64 -3.169 0.886 -7.962 1.00 0.00 N ATOM 930 CA ASP A 64 -4.037 1.195 -9.138 1.00 0.00 C ATOM 931 C ASP A 64 -3.233 1.285 -10.444 1.00 0.00 C ATOM 932 O ASP A 64 -3.773 1.469 -11.536 1.00 0.00 O ATOM 933 CB ASP A 64 -4.870 2.479 -8.871 1.00 0.00 C ATOM 934 CG ASP A 64 -5.908 2.804 -9.934 1.00 0.00 C ATOM 935 OD1 ASP A 64 -7.046 2.274 -9.857 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.627 3.635 -10.828 1.00 0.00 O ATOM 0 H ASP A 64 -3.320 -0.053 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.732 0.366 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.376 2.373 -7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.188 3.324 -8.780 1.00 0.00 H new ATOM 941 N GLY A 65 -1.963 1.051 -10.328 1.00 0.00 N ATOM 942 CA GLY A 65 -1.077 1.177 -11.440 1.00 0.00 C ATOM 943 C GLY A 65 -0.412 2.528 -11.469 1.00 0.00 C ATOM 944 O GLY A 65 0.106 2.948 -12.499 1.00 0.00 O ATOM 0 H GLY A 65 -1.512 0.767 -9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.317 0.398 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.631 1.023 -12.366 1.00 0.00 H new ATOM 948 N ILE A 66 -0.447 3.244 -10.345 1.00 0.00 N ATOM 949 CA ILE A 66 0.183 4.541 -10.282 1.00 0.00 C ATOM 950 C ILE A 66 1.716 4.390 -10.216 1.00 0.00 C ATOM 951 O ILE A 66 2.442 5.199 -10.772 1.00 0.00 O ATOM 952 CB ILE A 66 -0.353 5.404 -9.077 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.211 6.886 -9.412 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.406 5.087 -7.783 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.821 7.803 -8.388 1.00 0.00 C ATOM 0 H ILE A 66 -0.901 2.944 -9.482 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.077 5.077 -11.194 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.403 5.159 -8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.847 7.125 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.677 7.076 -10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.012 5.699 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.281 4.033 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.465 5.304 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.679 8.839 -8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.887 7.593 -8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.339 7.643 -7.423 1.00 0.00 H new ATOM 967 N SER A 67 2.154 3.300 -9.564 1.00 0.00 N ATOM 968 CA SER A 67 3.560 2.985 -9.304 1.00 0.00 C ATOM 969 C SER A 67 4.214 4.120 -8.512 1.00 0.00 C ATOM 970 O SER A 67 4.693 5.107 -9.059 1.00 0.00 O ATOM 971 CB SER A 67 4.331 2.661 -10.594 1.00 0.00 C ATOM 972 OG SER A 67 5.640 2.170 -10.322 1.00 0.00 O ATOM 0 H SER A 67 1.516 2.595 -9.194 1.00 0.00 H new ATOM 0 HA SER A 67 3.598 2.080 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.778 1.920 -11.171 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.400 3.557 -11.210 1.00 0.00 H new ATOM 0 HG SER A 67 6.098 1.974 -11.166 1.00 0.00 H new ATOM 978 N LEU A 68 4.213 3.978 -7.222 1.00 0.00 N ATOM 979 CA LEU A 68 4.699 5.020 -6.346 1.00 0.00 C ATOM 980 C LEU A 68 6.055 4.638 -5.795 1.00 0.00 C ATOM 981 O LEU A 68 6.493 5.129 -4.756 1.00 0.00 O ATOM 982 CB LEU A 68 3.714 5.230 -5.218 1.00 0.00 C ATOM 983 CG LEU A 68 3.408 4.001 -4.397 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.598 4.296 -2.933 1.00 0.00 C ATOM 985 CD2 LEU A 68 2.005 3.534 -4.684 1.00 0.00 C ATOM 0 H LEU A 68 3.879 3.143 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 68 4.801 5.949 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.104 6.003 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.782 5.610 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 68 4.096 3.201 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.375 3.403 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.630 4.598 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.927 5.102 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.788 2.647 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.299 4.324 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.911 3.293 -5.743 1.00 0.00 H new ATOM 997 N VAL A 69 6.683 3.753 -6.487 1.00 0.00 N ATOM 998 CA VAL A 69 7.999 3.260 -6.151 1.00 0.00 C ATOM 999 C VAL A 69 9.038 4.405 -6.038 1.00 0.00 C ATOM 1000 O VAL A 69 9.554 4.908 -7.040 1.00 0.00 O ATOM 1001 CB VAL A 69 8.487 2.200 -7.166 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.777 1.547 -6.693 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.412 1.149 -7.433 1.00 0.00 C ATOM 0 H VAL A 69 6.295 3.331 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 69 7.909 2.787 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 69 8.691 2.713 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.099 0.806 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.550 2.307 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.607 1.060 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.787 0.419 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.157 0.644 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.523 1.633 -7.838 1.00 0.00 H new ATOM 1013 N GLY A 70 9.256 4.850 -4.812 1.00 0.00 N ATOM 1014 CA GLY A 70 10.261 5.855 -4.531 1.00 0.00 C ATOM 1015 C GLY A 70 9.687 7.213 -4.169 1.00 0.00 C ATOM 1016 O GLY A 70 10.436 8.180 -4.003 1.00 0.00 O ATOM 0 H GLY A 70 8.745 4.526 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.890 5.507 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.905 5.964 -5.403 1.00 0.00 H new ATOM 1020 N VAL A 71 8.381 7.294 -4.014 1.00 0.00 N ATOM 1021 CA VAL A 71 7.730 8.572 -3.700 1.00 0.00 C ATOM 1022 C VAL A 71 7.783 8.890 -2.205 1.00 0.00 C ATOM 1023 O VAL A 71 8.372 8.145 -1.412 1.00 0.00 O ATOM 1024 CB VAL A 71 6.256 8.596 -4.148 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.138 8.307 -5.637 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.419 7.624 -3.310 1.00 0.00 C ATOM 0 H VAL A 71 7.744 6.502 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 71 8.289 9.327 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 71 5.859 9.597 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.088 8.329 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.688 9.062 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.553 7.322 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.382 7.657 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.807 6.613 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.472 7.910 -2.260 1.00 0.00 H new ATOM 1036 N THR A 72 7.173 9.988 -1.841 1.00 0.00 N ATOM 1037 CA THR A 72 7.061 10.398 -0.480 1.00 0.00 C ATOM 1038 C THR A 72 5.727 10.000 0.066 1.00 0.00 C ATOM 1039 O THR A 72 4.829 9.536 -0.672 1.00 0.00 O ATOM 1040 CB THR A 72 7.190 11.914 -0.363 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.383 12.523 -1.396 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.633 12.350 -0.504 1.00 0.00 C ATOM 0 H THR A 72 6.734 10.630 -2.501 1.00 0.00 H new ATOM 0 HA THR A 72 7.861 9.916 0.082 1.00 0.00 H new ATOM 0 HB THR A 72 6.845 12.230 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.686 13.443 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.696 13.435 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.231 11.888 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.013 12.042 -1.478 1.00 0.00 H new ATOM 1050 N GLN A 73 5.581 10.217 1.331 1.00 0.00 N ATOM 1051 CA GLN A 73 4.381 9.928 2.041 1.00 0.00 C ATOM 1052 C GLN A 73 3.200 10.730 1.503 1.00 0.00 C ATOM 1053 O GLN A 73 2.109 10.231 1.429 1.00 0.00 O ATOM 1054 CB GLN A 73 4.582 10.134 3.558 1.00 0.00 C ATOM 1055 CG GLN A 73 4.656 11.557 4.070 1.00 0.00 C ATOM 1056 CD GLN A 73 5.714 12.382 3.363 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.430 13.112 2.422 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.923 12.152 3.678 1.00 0.00 N ATOM 0 H GLN A 73 6.317 10.613 1.916 1.00 0.00 H new ATOM 0 HA GLN A 73 4.139 8.877 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.764 9.633 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.502 9.625 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.685 12.035 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.867 11.543 5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.137 11.541 4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.679 12.579 3.143 1.00 0.00 H new ATOM 1067 N ASN A 74 3.447 11.945 1.080 1.00 0.00 N ATOM 1068 CA ASN A 74 2.388 12.790 0.583 1.00 0.00 C ATOM 1069 C ASN A 74 1.888 12.313 -0.763 1.00 0.00 C ATOM 1070 O ASN A 74 0.702 12.430 -1.056 1.00 0.00 O ATOM 1071 CB ASN A 74 2.763 14.288 0.554 1.00 0.00 C ATOM 1072 CG ASN A 74 3.866 14.650 -0.418 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.613 14.906 -1.599 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.075 14.723 0.064 1.00 0.00 N ATOM 0 H ASN A 74 4.373 12.372 1.070 1.00 0.00 H new ATOM 0 HA ASN A 74 1.569 12.702 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.873 14.866 0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.067 14.591 1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.849 14.999 -0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.247 14.504 1.045 1.00 0.00 H new ATOM 1081 N PHE A 75 2.772 11.733 -1.568 1.00 0.00 N ATOM 1082 CA PHE A 75 2.346 11.184 -2.838 1.00 0.00 C ATOM 1083 C PHE A 75 1.521 9.944 -2.561 1.00 0.00 C ATOM 1084 O PHE A 75 0.428 9.773 -3.113 1.00 0.00 O ATOM 1085 CB PHE A 75 3.534 10.827 -3.737 1.00 0.00 C ATOM 1086 CG PHE A 75 3.129 10.342 -5.124 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.678 9.038 -5.330 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.187 11.191 -6.210 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.302 8.607 -6.576 1.00 0.00 C ATOM 1090 CE2 PHE A 75 2.809 10.762 -7.465 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.367 9.470 -7.649 1.00 0.00 C ATOM 0 H PHE A 75 3.767 11.635 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 75 1.759 11.935 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.176 11.702 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.127 10.053 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.624 8.357 -4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.533 12.205 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.956 7.594 -6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.859 11.440 -8.305 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.072 9.134 -8.632 1.00 0.00 H new ATOM 1101 N ALA A 76 2.043 9.091 -1.687 1.00 0.00 N ATOM 1102 CA ALA A 76 1.358 7.872 -1.311 1.00 0.00 C ATOM 1103 C ALA A 76 0.011 8.182 -0.659 1.00 0.00 C ATOM 1104 O ALA A 76 -0.988 7.559 -0.975 1.00 0.00 O ATOM 1105 CB ALA A 76 2.224 7.033 -0.405 1.00 0.00 C ATOM 0 H ALA A 76 2.943 9.227 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 76 1.162 7.296 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.691 6.122 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.147 6.773 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.460 7.597 0.497 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.017 9.170 0.215 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.256 9.600 0.847 1.00 0.00 C ATOM 1113 C ALA A 77 -2.247 10.043 -0.213 1.00 0.00 C ATOM 1114 O ALA A 77 -3.417 9.739 -0.130 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.001 10.724 1.840 1.00 0.00 C ATOM 0 H ALA A 77 0.808 9.694 0.507 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.675 8.757 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.943 11.026 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.316 10.377 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.560 11.575 1.321 1.00 0.00 H new ATOM 1121 N THR A 78 -1.744 10.700 -1.241 1.00 0.00 N ATOM 1122 CA THR A 78 -2.554 11.147 -2.332 1.00 0.00 C ATOM 1123 C THR A 78 -3.146 9.955 -3.108 1.00 0.00 C ATOM 1124 O THR A 78 -4.364 9.894 -3.302 1.00 0.00 O ATOM 1125 CB THR A 78 -1.758 12.098 -3.254 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.379 13.259 -2.500 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.575 12.524 -4.467 1.00 0.00 C ATOM 0 H THR A 78 -0.756 10.934 -1.333 1.00 0.00 H new ATOM 0 HA THR A 78 -3.392 11.713 -1.926 1.00 0.00 H new ATOM 0 HB THR A 78 -0.877 11.569 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.621 13.039 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.980 13.192 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.856 11.643 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.475 13.042 -4.136 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.310 8.994 -3.507 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.807 7.833 -4.217 1.00 0.00 C ATOM 1137 C VAL A 79 -3.766 6.974 -3.372 1.00 0.00 C ATOM 1138 O VAL A 79 -4.850 6.616 -3.839 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.706 6.981 -4.883 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -0.709 6.593 -3.918 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -2.297 5.777 -5.565 1.00 0.00 C ATOM 0 H VAL A 79 -1.302 9.003 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.392 8.249 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.219 7.589 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.058 5.993 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.253 7.485 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.177 6.007 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.501 5.193 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.819 5.163 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.000 6.102 -6.332 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.402 6.713 -2.116 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.238 5.905 -1.217 1.00 0.00 C ATOM 1153 C LEU A 80 -5.543 6.604 -0.861 1.00 0.00 C ATOM 1154 O LEU A 80 -6.522 5.960 -0.538 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.498 5.462 0.070 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.524 4.257 -0.022 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.217 3.046 -0.598 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.286 4.564 -0.822 1.00 0.00 C ATOM 0 H LEU A 80 -2.535 7.047 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.474 5.003 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.935 6.318 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.251 5.225 0.822 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.208 4.044 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.513 2.215 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.056 2.769 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.583 3.277 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.644 3.684 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.568 4.840 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.748 5.390 -0.357 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.550 7.907 -0.921 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.750 8.679 -0.655 1.00 0.00 C ATOM 1172 C ARG A 81 -7.613 8.839 -1.917 1.00 0.00 C ATOM 1173 O ARG A 81 -8.821 9.017 -1.833 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.364 10.012 0.035 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.373 11.145 0.006 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.155 12.011 -1.216 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.076 13.134 -1.289 1.00 0.00 N ATOM 1178 CZ ARG A 81 -7.796 14.301 -1.878 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.547 14.587 -2.252 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -8.751 15.194 -2.051 1.00 0.00 N ATOM 0 H ARG A 81 -4.732 8.469 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.391 8.140 0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.135 9.794 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.444 10.372 -0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.385 10.740 -0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.279 11.748 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.132 12.387 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.265 11.400 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.996 13.024 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.799 13.913 -2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.341 15.479 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.700 14.993 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.541 16.085 -2.500 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.990 8.722 -3.079 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.708 8.834 -4.372 1.00 0.00 C ATOM 1196 C ASN A 82 -8.295 7.527 -4.823 1.00 0.00 C ATOM 1197 O ASN A 82 -8.847 7.418 -5.923 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.822 9.385 -5.479 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.865 10.879 -5.529 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.691 11.469 -6.220 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -6.018 11.508 -4.797 1.00 0.00 N ATOM 0 H ASN A 82 -5.989 8.549 -3.170 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.521 9.536 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.795 9.055 -5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.143 8.979 -6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.019 12.528 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.345 10.988 -4.234 1.00 0.00 H new ATOM 1208 N THR A 83 -8.186 6.547 -3.990 1.00 0.00 N ATOM 1209 CA THR A 83 -8.686 5.234 -4.272 1.00 0.00 C ATOM 1210 C THR A 83 -10.222 5.182 -4.276 1.00 0.00 C ATOM 1211 O THR A 83 -10.914 6.188 -4.010 1.00 0.00 O ATOM 1212 CB THR A 83 -8.146 4.240 -3.254 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.401 4.757 -1.945 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.653 3.999 -3.459 1.00 0.00 C ATOM 0 H THR A 83 -7.740 6.633 -3.077 1.00 0.00 H new ATOM 0 HA THR A 83 -8.343 4.968 -5.272 1.00 0.00 H new ATOM 0 HB THR A 83 -8.645 3.279 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.569 5.106 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.295 3.285 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.483 3.600 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.114 4.940 -3.347 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.722 4.018 -4.567 1.00 0.00 N ATOM 1223 CA LYS A 84 -12.121 3.723 -4.654 1.00 0.00 C ATOM 1224 C LYS A 84 -12.315 2.252 -4.312 1.00 0.00 C ATOM 1225 O LYS A 84 -11.469 1.694 -3.627 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.684 4.147 -6.052 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.732 4.001 -7.259 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.432 2.563 -7.636 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.477 2.494 -8.834 1.00 0.00 C ATOM 1230 NZ LYS A 84 -11.020 3.170 -10.032 1.00 0.00 N ATOM 0 H LYS A 84 -10.134 3.207 -4.760 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.700 4.302 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.578 3.557 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.997 5.189 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.171 4.507 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.795 4.510 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.990 2.045 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.361 2.046 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.526 2.952 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.272 1.450 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.452 2.912 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.006 2.874 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.985 4.200 -9.895 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.416 1.662 -4.722 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.690 0.254 -4.422 1.00 0.00 C ATOM 1246 C GLY A 85 -12.607 -0.713 -4.887 1.00 0.00 C ATOM 1247 O GLY A 85 -11.823 -1.208 -4.083 1.00 0.00 O ATOM 0 H GLY A 85 -14.143 2.127 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.820 0.144 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.635 -0.027 -4.888 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.567 -0.980 -6.171 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.598 -1.926 -6.723 1.00 0.00 C ATOM 1253 C ASN A 86 -10.254 -1.280 -6.855 1.00 0.00 C ATOM 1254 O ASN A 86 -10.081 -0.355 -7.634 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.051 -2.476 -8.079 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.329 -3.273 -7.984 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.429 -2.722 -8.099 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.212 -4.557 -7.790 1.00 0.00 N ATOM 0 H ASN A 86 -13.190 -0.561 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.527 -2.764 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.194 -1.648 -8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.264 -3.106 -8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.046 -5.142 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.287 -4.977 -7.700 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.324 -1.736 -6.064 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.989 -1.197 -6.045 1.00 0.00 C ATOM 1267 C VAL A 87 -6.954 -2.300 -6.093 1.00 0.00 C ATOM 1268 O VAL A 87 -7.012 -3.222 -5.301 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.745 -0.382 -4.758 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.313 0.066 -4.691 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.659 0.807 -4.675 1.00 0.00 C ATOM 0 H VAL A 87 -9.471 -2.501 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.894 -0.558 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.961 -1.031 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.154 0.640 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.659 -0.806 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.086 0.689 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.458 1.357 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.488 1.458 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.696 0.470 -4.677 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.014 -2.220 -7.008 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.913 -3.151 -6.985 1.00 0.00 C ATOM 1283 C ARG A 88 -3.791 -2.593 -6.167 1.00 0.00 C ATOM 1284 O ARG A 88 -3.155 -1.611 -6.556 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.381 -3.538 -8.357 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.322 -4.367 -9.190 1.00 0.00 C ATOM 1287 CD ARG A 88 -6.178 -3.510 -10.087 1.00 0.00 C ATOM 1288 NE ARG A 88 -5.357 -2.736 -11.030 1.00 0.00 N ATOM 1289 CZ ARG A 88 -5.841 -1.995 -12.036 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -7.148 -1.936 -12.259 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -5.013 -1.323 -12.825 1.00 0.00 N ATOM 0 H ARG A 88 -5.990 -1.534 -7.762 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.314 -4.063 -6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.138 -2.628 -8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.450 -4.091 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.749 -5.068 -9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.961 -4.960 -8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.874 -4.141 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.777 -2.831 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.345 -2.765 -10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.791 -2.457 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.509 -1.370 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.007 -1.370 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.383 -0.759 -13.590 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.595 -3.164 -5.022 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.497 -2.814 -4.178 1.00 0.00 C ATOM 1307 C PHE A 89 -1.374 -3.742 -4.469 1.00 0.00 C ATOM 1308 O PHE A 89 -1.377 -4.875 -4.015 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.832 -2.971 -2.701 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.930 -2.126 -2.194 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -5.235 -2.539 -2.294 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -3.657 -0.923 -1.598 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -6.252 -1.752 -1.804 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -4.664 -0.136 -1.112 1.00 0.00 C ATOM 1315 CZ PHE A 89 -5.962 -0.552 -1.210 1.00 0.00 C ATOM 0 H PHE A 89 -4.198 -3.894 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.248 -1.771 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.088 -4.014 -2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.935 -2.754 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.465 -3.486 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.633 -0.592 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.278 -2.080 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.434 0.813 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.758 0.064 -0.820 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.461 -3.327 -5.241 1.00 0.00 N ATOM 1326 CA VAL A 90 0.679 -4.134 -5.491 1.00 0.00 C ATOM 1327 C VAL A 90 1.629 -3.874 -4.380 1.00 0.00 C ATOM 1328 O VAL A 90 2.249 -2.828 -4.305 1.00 0.00 O ATOM 1329 CB VAL A 90 1.346 -3.843 -6.837 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.544 -4.763 -7.067 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.350 -3.962 -7.972 1.00 0.00 C ATOM 0 H VAL A 90 -0.469 -2.427 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 90 0.374 -5.179 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 90 1.711 -2.816 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.999 -4.534 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.277 -4.611 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.212 -5.801 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.849 -3.750 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.057 -4.973 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.460 -3.248 -7.822 1.00 0.00 H new ATOM 1341 N ILE A 91 1.566 -4.722 -3.447 1.00 0.00 N ATOM 1342 CA ILE A 91 2.399 -4.724 -2.306 1.00 0.00 C ATOM 1343 C ILE A 91 3.290 -5.942 -2.362 1.00 0.00 C ATOM 1344 O ILE A 91 2.957 -6.934 -2.990 1.00 0.00 O ATOM 1345 CB ILE A 91 1.476 -4.764 -1.075 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.715 -3.453 -0.997 1.00 0.00 C ATOM 1347 CG2 ILE A 91 2.195 -5.095 0.235 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.336 -3.422 0.028 1.00 0.00 C ATOM 0 H ILE A 91 0.892 -5.487 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 91 3.036 -3.841 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 91 0.778 -5.591 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.422 -2.648 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.264 -3.250 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.475 -5.103 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.665 -6.075 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.958 -4.342 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.829 -2.450 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.068 -4.203 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.108 -3.591 1.009 1.00 0.00 H new ATOM 1360 N GLY A 92 4.406 -5.857 -1.750 1.00 0.00 N ATOM 1361 CA GLY A 92 5.267 -6.964 -1.722 1.00 0.00 C ATOM 1362 C GLY A 92 5.501 -7.383 -0.310 1.00 0.00 C ATOM 1363 O GLY A 92 5.414 -6.554 0.599 1.00 0.00 O ATOM 0 H GLY A 92 4.743 -5.028 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.834 -7.788 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.214 -6.712 -2.199 1.00 0.00 H new ATOM 1367 N ARG A 93 5.805 -8.622 -0.110 1.00 0.00 N ATOM 1368 CA ARG A 93 5.983 -9.137 1.220 1.00 0.00 C ATOM 1369 C ARG A 93 7.237 -10.001 1.242 1.00 0.00 C ATOM 1370 O ARG A 93 7.664 -10.494 0.190 1.00 0.00 O ATOM 1371 CB ARG A 93 4.699 -9.911 1.610 1.00 0.00 C ATOM 1372 CG ARG A 93 4.437 -10.177 3.098 1.00 0.00 C ATOM 1373 CD ARG A 93 5.203 -11.359 3.658 1.00 0.00 C ATOM 1374 NE ARG A 93 4.816 -11.636 5.045 1.00 0.00 N ATOM 1375 CZ ARG A 93 5.453 -12.472 5.878 1.00 0.00 C ATOM 1376 NH1 ARG A 93 6.555 -13.089 5.496 1.00 0.00 N ATOM 1377 NH2 ARG A 93 4.989 -12.673 7.097 1.00 0.00 N ATOM 0 H ARG A 93 5.938 -9.308 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 93 6.127 -8.346 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.845 -9.360 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.722 -10.873 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.699 -9.285 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.370 -10.347 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.017 -12.240 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.273 -11.157 3.610 1.00 0.00 H new ATOM 0 HE ARG A 93 3.994 -11.153 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.929 -12.932 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.033 -13.723 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.145 -12.192 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.475 -13.309 7.729 1.00 0.00 H new ATOM 1391 N GLU A 94 7.857 -10.081 2.406 1.00 0.00 N ATOM 1392 CA GLU A 94 9.032 -10.899 2.635 1.00 0.00 C ATOM 1393 C GLU A 94 8.702 -12.389 2.456 1.00 0.00 C ATOM 1394 O GLU A 94 9.042 -12.955 1.424 1.00 0.00 O ATOM 1395 CB GLU A 94 9.628 -10.596 4.033 1.00 0.00 C ATOM 1396 CG GLU A 94 8.603 -10.589 5.171 1.00 0.00 C ATOM 1397 CD GLU A 94 9.208 -10.374 6.531 1.00 0.00 C ATOM 1398 OE1 GLU A 94 9.431 -9.205 6.925 1.00 0.00 O ATOM 1399 OE2 GLU A 94 9.443 -11.361 7.261 1.00 0.00 O ATOM 0 H GLU A 94 7.551 -9.569 3.233 1.00 0.00 H new ATOM 0 HA GLU A 94 9.790 -10.651 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.395 -11.338 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.123 -9.626 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.869 -9.805 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.065 -11.537 5.169 1.00 0.00 H new TER 1406 GLU A 94