USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 MET CE :methyl 168:sc= -3.6 (180deg=-4.04!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -146:sc= -0.961! (180deg=-4.15!) USER MOD Set 2.2: A 52 SER OG : rot -4:sc= 0.837 USER MOD Set 3.1: A 27 SER OG : rot 54:sc= -1.6! USER MOD Set 3.2: A 45 LYS NZ :NH3+ -171:sc= 0.922 (180deg=0) USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0.555 USER MOD Set 4.2: A 15 HIS : no HD1:sc= -25.2! C(o=-25!,f=-33!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -9.17! C(o=-15!,f=-9.2!) USER MOD Single : A 20 THR OG1 : rot 105:sc= -0.171! USER MOD Single : A 24 GLN : amide:sc= -0.986 X(o=-0.99,f=-1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0.223 (180deg=0.222) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 31 SER OG : rot -126:sc= -3.88! USER MOD Single : A 34 ASN : amide:sc= -5.84! C(o=-5.8!,f=-9.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -20:sc= 1.01 USER MOD Single : A 43 ASN : amide:sc= 0.092 K(o=0.092,f=-1.8!) USER MOD Single : A 51 MET CE :methyl -154:sc= -4.06! (180deg=-5.58!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -170:sc= 0.401 USER MOD Single : A 62 THR OG1 : rot 149:sc= -7.88! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 74 MET CE :methyl -164:sc= -4.97! (180deg=-5.86!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 82 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.38) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.173 -9.661 -8.842 1.00 1.00 N ATOM 19 CA GLU A 2 -2.683 -8.455 -9.472 1.00 1.00 C ATOM 20 C GLU A 2 -2.210 -7.216 -8.709 1.00 1.00 C ATOM 21 O GLU A 2 -1.917 -7.292 -7.517 1.00 1.00 O ATOM 22 CB GLU A 2 -4.209 -8.490 -9.569 1.00 1.00 C ATOM 23 CG GLU A 2 -4.693 -9.831 -10.124 1.00 1.00 C ATOM 24 CD GLU A 2 -6.088 -9.699 -10.737 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.247 -8.811 -11.602 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.966 -10.490 -10.327 1.00 1.00 O ATOM 0 HA GLU A 2 -2.289 -8.405 -10.487 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.643 -8.322 -8.583 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.555 -7.680 -10.212 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.993 -10.190 -10.878 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.711 -10.574 -9.326 1.00 1.00 H new ATOM 33 N LYS A 3 -2.150 -6.105 -9.428 1.00 1.00 N ATOM 34 CA LYS A 3 -1.717 -4.851 -8.833 1.00 1.00 C ATOM 35 C LYS A 3 -2.878 -3.855 -8.854 1.00 1.00 C ATOM 36 O LYS A 3 -3.654 -3.820 -9.807 1.00 1.00 O ATOM 37 CB LYS A 3 -0.453 -4.338 -9.526 1.00 1.00 C ATOM 38 CG LYS A 3 -0.745 -3.068 -10.327 1.00 1.00 C ATOM 39 CD LYS A 3 0.344 -2.817 -11.373 1.00 1.00 C ATOM 40 CE LYS A 3 0.340 -3.911 -12.442 1.00 1.00 C ATOM 41 NZ LYS A 3 1.029 -3.443 -13.665 1.00 1.00 N ATOM 0 H LYS A 3 -2.394 -6.046 -10.417 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.442 -4.999 -7.789 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.317 -4.134 -8.782 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.059 -5.108 -10.189 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.713 -3.159 -10.819 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.809 -2.215 -9.652 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.186 -1.845 -11.841 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.319 -2.782 -10.887 1.00 1.00 H new ATOM 0 HE2 LYS A 3 0.834 -4.804 -12.059 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.686 -4.191 -12.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 1.017 -4.198 -14.380 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.541 -2.604 -14.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 2.014 -3.198 -13.437 1.00 1.00 H new ATOM 55 N LYS A 4 -2.960 -3.069 -7.790 1.00 1.00 N ATOM 56 CA LYS A 4 -4.013 -2.075 -7.674 1.00 1.00 C ATOM 57 C LYS A 4 -3.386 -0.700 -7.435 1.00 1.00 C ATOM 58 O LYS A 4 -2.839 -0.441 -6.364 1.00 1.00 O ATOM 59 CB LYS A 4 -5.022 -2.486 -6.599 1.00 1.00 C ATOM 60 CG LYS A 4 -6.353 -1.755 -6.789 1.00 1.00 C ATOM 61 CD LYS A 4 -7.094 -2.277 -8.021 1.00 1.00 C ATOM 62 CE LYS A 4 -8.333 -1.428 -8.316 1.00 1.00 C ATOM 63 NZ LYS A 4 -9.080 -1.985 -9.466 1.00 1.00 N ATOM 0 H LYS A 4 -2.314 -3.101 -7.001 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.580 -2.011 -8.603 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.185 -3.563 -6.641 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.618 -2.263 -5.612 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.974 -1.887 -5.903 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.173 -0.685 -6.895 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.427 -2.265 -8.883 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.389 -3.314 -7.860 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.977 -1.396 -7.437 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -8.035 -0.402 -8.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.918 -1.398 -9.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.468 -1.993 -10.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.380 -2.956 -9.247 1.00 1.00 H new ATOM 77 N GLU A 5 -3.487 0.146 -8.450 1.00 1.00 N ATOM 78 CA GLU A 5 -2.937 1.487 -8.364 1.00 1.00 C ATOM 79 C GLU A 5 -3.938 2.430 -7.694 1.00 1.00 C ATOM 80 O GLU A 5 -5.144 2.313 -7.907 1.00 1.00 O ATOM 81 CB GLU A 5 -2.536 2.005 -9.747 1.00 1.00 C ATOM 82 CG GLU A 5 -1.650 0.993 -10.476 1.00 1.00 C ATOM 83 CD GLU A 5 -2.409 0.329 -11.626 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.431 -0.327 -11.328 1.00 1.00 O ATOM 85 OE2 GLU A 5 -1.951 0.491 -12.778 1.00 1.00 O ATOM 0 H GLU A 5 -3.942 -0.072 -9.336 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.037 1.450 -7.751 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.430 2.203 -10.338 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.005 2.951 -9.645 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.762 1.493 -10.862 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.307 0.232 -9.774 1.00 1.00 H new ATOM 92 N PHE A 6 -3.402 3.344 -6.899 1.00 1.00 N ATOM 93 CA PHE A 6 -4.234 4.306 -6.197 1.00 1.00 C ATOM 94 C PHE A 6 -3.527 5.658 -6.078 1.00 1.00 C ATOM 95 O PHE A 6 -2.413 5.825 -6.570 1.00 1.00 O ATOM 96 CB PHE A 6 -4.479 3.747 -4.794 1.00 1.00 C ATOM 97 CG PHE A 6 -5.189 2.391 -4.780 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.230 2.160 -5.623 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.778 1.418 -3.924 1.00 1.00 C ATOM 100 CE1 PHE A 6 -6.889 0.902 -5.610 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.437 0.160 -3.910 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.478 -0.071 -4.754 1.00 1.00 C ATOM 0 H PHE A 6 -2.401 3.439 -6.725 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.166 4.459 -6.742 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.522 3.650 -4.280 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.074 4.463 -4.227 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -6.556 2.933 -6.303 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.950 1.602 -3.255 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -7.716 0.718 -6.280 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.112 -0.613 -3.229 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.979 -1.028 -4.744 1.00 1.00 H new ATOM 112 N HIS A 7 -4.205 6.588 -5.421 1.00 1.00 N ATOM 113 CA HIS A 7 -3.657 7.920 -5.231 1.00 1.00 C ATOM 114 C HIS A 7 -4.096 8.467 -3.871 1.00 1.00 C ATOM 115 O HIS A 7 -5.219 8.223 -3.434 1.00 1.00 O ATOM 116 CB HIS A 7 -4.044 8.838 -6.392 1.00 1.00 C ATOM 117 CG HIS A 7 -4.426 10.236 -5.969 1.00 1.00 C ATOM 118 ND1 HIS A 7 -5.320 10.671 -5.035 1.00 1.00 N flip ATOM 119 CD2 HIS A 7 -3.865 11.370 -6.530 1.00 1.00 C flip ATOM 120 CE1 HIS A 7 -5.304 11.998 -5.025 1.00 1.00 C flip ATOM 121 NE2 HIS A 7 -4.403 12.433 -5.952 1.00 1.00 N flip ATOM 0 H HIS A 7 -5.129 6.445 -5.014 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.568 7.872 -5.230 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.209 8.896 -7.090 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -4.879 8.392 -6.932 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -3.115 11.385 -7.307 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -5.905 12.629 -4.388 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -4.182 13.406 -6.163 1.00 1.00 H new ATOM 129 N ILE A 8 -3.186 9.196 -3.241 1.00 1.00 N ATOM 130 CA ILE A 8 -3.466 9.779 -1.940 1.00 1.00 C ATOM 131 C ILE A 8 -4.431 10.954 -2.109 1.00 1.00 C ATOM 132 O ILE A 8 -4.047 12.012 -2.604 1.00 1.00 O ATOM 133 CB ILE A 8 -2.163 10.152 -1.229 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.237 8.939 -1.110 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.445 10.793 0.131 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.043 7.646 -0.969 1.00 1.00 C ATOM 0 H ILE A 8 -2.255 9.396 -3.607 1.00 1.00 H new ATOM 0 HA ILE A 8 -3.959 9.051 -1.295 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.644 10.895 -1.834 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.596 8.878 -1.990 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.583 9.060 -0.247 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.502 11.048 0.615 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.038 11.697 -0.009 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.996 10.091 0.757 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.361 6.800 -0.886 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.664 7.700 -0.075 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.678 7.516 -1.845 1.00 1.00 H new ATOM 148 N VAL A 9 -5.667 10.727 -1.688 1.00 1.00 N ATOM 149 CA VAL A 9 -6.691 11.754 -1.787 1.00 1.00 C ATOM 150 C VAL A 9 -6.744 12.543 -0.478 1.00 1.00 C ATOM 151 O VAL A 9 -7.661 13.334 -0.262 1.00 1.00 O ATOM 152 CB VAL A 9 -8.033 11.120 -2.158 1.00 1.00 C ATOM 153 CG1 VAL A 9 -8.025 10.625 -3.605 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.390 9.987 -1.193 1.00 1.00 C ATOM 0 H VAL A 9 -5.982 9.848 -1.278 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.449 12.460 -2.582 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.801 11.889 -2.071 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.991 10.179 -3.842 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.838 11.464 -4.275 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.240 9.879 -3.730 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.348 9.554 -1.479 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.618 9.219 -1.233 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.458 10.381 -0.179 1.00 1.00 H new ATOM 164 N ALA A 10 -5.748 12.301 0.363 1.00 1.00 N ATOM 165 CA ALA A 10 -5.670 12.979 1.645 1.00 1.00 C ATOM 166 C ALA A 10 -4.295 13.636 1.786 1.00 1.00 C ATOM 167 O ALA A 10 -3.274 12.950 1.806 1.00 1.00 O ATOM 168 CB ALA A 10 -5.957 11.982 2.769 1.00 1.00 C ATOM 0 H ALA A 10 -4.989 11.645 0.181 1.00 1.00 H new ATOM 0 HA ALA A 10 -6.421 13.767 1.709 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.898 12.491 3.731 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.956 11.565 2.639 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -5.222 11.178 2.739 1.00 1.00 H new ATOM 174 N GLU A 11 -4.313 14.958 1.881 1.00 1.00 N ATOM 175 CA GLU A 11 -3.081 15.715 2.020 1.00 1.00 C ATOM 176 C GLU A 11 -2.348 15.306 3.299 1.00 1.00 C ATOM 177 O GLU A 11 -1.250 15.789 3.571 1.00 1.00 O ATOM 178 CB GLU A 11 -3.358 17.220 2.004 1.00 1.00 C ATOM 179 CG GLU A 11 -4.139 17.647 3.248 1.00 1.00 C ATOM 180 CD GLU A 11 -4.891 18.956 3.001 1.00 1.00 C ATOM 181 OE1 GLU A 11 -4.202 19.989 2.859 1.00 1.00 O ATOM 182 OE2 GLU A 11 -6.139 18.895 2.958 1.00 1.00 O ATOM 0 H GLU A 11 -5.162 15.524 1.864 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.439 15.488 1.169 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -2.416 17.766 1.956 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -3.923 17.480 1.109 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -4.845 16.864 3.525 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -3.454 17.770 4.087 1.00 1.00 H new ATOM 189 N THR A 12 -2.984 14.419 4.050 1.00 1.00 N ATOM 190 CA THR A 12 -2.406 13.939 5.293 1.00 1.00 C ATOM 191 C THR A 12 -0.879 13.917 5.198 1.00 1.00 C ATOM 192 O THR A 12 -0.206 14.788 5.747 1.00 1.00 O ATOM 193 CB THR A 12 -3.016 12.570 5.601 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.690 12.762 6.843 1.00 1.00 O ATOM 195 CG2 THR A 12 -1.955 11.513 5.912 1.00 1.00 C ATOM 0 H THR A 12 -3.894 14.020 3.821 1.00 1.00 H new ATOM 0 HA THR A 12 -2.639 14.608 6.121 1.00 1.00 H new ATOM 0 HB THR A 12 -3.618 12.242 4.754 1.00 1.00 H new ATOM 0 HG1 THR A 12 -4.116 11.923 7.117 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.441 10.561 6.123 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.292 11.400 5.054 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.375 11.825 6.780 1.00 1.00 H new ATOM 203 N GLY A 13 -0.377 12.911 4.497 1.00 1.00 N ATOM 204 CA GLY A 13 1.058 12.763 4.323 1.00 1.00 C ATOM 205 C GLY A 13 1.508 11.341 4.663 1.00 1.00 C ATOM 206 O GLY A 13 2.624 11.136 5.139 1.00 1.00 O ATOM 0 H GLY A 13 -0.938 12.191 4.043 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.329 12.998 3.294 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.581 13.476 4.961 1.00 1.00 H new ATOM 210 N ILE A 14 0.617 10.395 4.406 1.00 1.00 N ATOM 211 CA ILE A 14 0.908 8.998 4.679 1.00 1.00 C ATOM 212 C ILE A 14 1.848 8.903 5.883 1.00 1.00 C ATOM 213 O ILE A 14 3.032 8.606 5.728 1.00 1.00 O ATOM 214 CB ILE A 14 1.445 8.307 3.424 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.312 7.987 2.447 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.257 7.062 3.788 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.719 9.117 2.414 1.00 1.00 C ATOM 0 H ILE A 14 -0.307 10.569 4.011 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.005 8.464 4.943 1.00 1.00 H new ATOM 0 HB ILE A 14 2.122 8.996 2.918 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.721 7.834 1.448 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.173 7.056 2.739 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.627 6.590 2.878 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.100 7.348 4.417 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.623 6.360 4.329 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.513 8.864 1.712 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.143 9.252 3.409 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.236 10.041 2.098 1.00 1.00 H new ATOM 229 N HIS A 15 1.286 9.162 7.054 1.00 1.00 N ATOM 230 CA HIS A 15 2.059 9.110 8.283 1.00 1.00 C ATOM 231 C HIS A 15 1.857 7.752 8.959 1.00 1.00 C ATOM 232 O HIS A 15 1.056 6.940 8.501 1.00 1.00 O ATOM 233 CB HIS A 15 1.707 10.285 9.197 1.00 1.00 C ATOM 234 CG HIS A 15 0.262 10.715 9.115 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.730 10.169 9.911 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.349 11.644 8.323 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.880 10.750 9.604 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.642 11.663 8.620 1.00 1.00 N ATOM 0 H HIS A 15 0.304 9.409 7.178 1.00 1.00 H new ATOM 0 HA HIS A 15 3.120 9.209 8.054 1.00 1.00 H new ATOM 0 HB2 HIS A 15 1.936 10.012 10.227 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.343 11.133 8.943 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.138 12.259 7.581 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.838 10.538 10.054 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -2.343 12.262 8.184 1.00 1.00 H new ATOM 246 N ALA A 16 2.599 7.549 10.038 1.00 1.00 N ATOM 247 CA ALA A 16 2.511 6.303 10.782 1.00 1.00 C ATOM 248 C ALA A 16 1.049 5.861 10.858 1.00 1.00 C ATOM 249 O ALA A 16 0.756 4.667 10.836 1.00 1.00 O ATOM 250 CB ALA A 16 3.137 6.490 12.166 1.00 1.00 C ATOM 0 H ALA A 16 3.263 8.225 10.415 1.00 1.00 H new ATOM 0 HA ALA A 16 3.067 5.514 10.276 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.071 5.556 12.724 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.184 6.774 12.057 1.00 1.00 H new ATOM 0 HB3 ALA A 16 2.603 7.273 12.704 1.00 1.00 H new ATOM 256 N ARG A 17 0.169 6.848 10.945 1.00 1.00 N ATOM 257 CA ARG A 17 -1.256 6.576 11.024 1.00 1.00 C ATOM 258 C ARG A 17 -1.739 5.898 9.740 1.00 1.00 C ATOM 259 O ARG A 17 -1.982 4.693 9.724 1.00 1.00 O ATOM 260 CB ARG A 17 -2.052 7.864 11.243 1.00 1.00 C ATOM 261 CG ARG A 17 -2.377 8.062 12.725 1.00 1.00 C ATOM 262 CD ARG A 17 -1.099 8.200 13.554 1.00 1.00 C ATOM 263 NE ARG A 17 -0.807 9.629 13.801 1.00 1.00 N ATOM 264 CZ ARG A 17 -0.025 10.076 14.793 1.00 1.00 C ATOM 265 NH1 ARG A 17 0.548 9.207 15.638 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.184 11.391 14.941 1.00 1.00 N ATOM 0 H ARG A 17 0.416 7.838 10.963 1.00 1.00 H new ATOM 0 HA ARG A 17 -1.420 5.913 11.873 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.480 8.716 10.875 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.976 7.827 10.666 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.993 8.952 12.850 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.961 7.217 13.089 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -1.212 7.675 14.502 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -0.264 7.735 13.030 1.00 1.00 H new ATOM 0 HE ARG A 17 -1.227 10.317 13.177 1.00 1.00 H new ATOM 0 HH11 ARG A 17 0.389 8.206 15.526 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.143 9.547 16.393 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -0.252 12.052 14.298 1.00 1.00 H new ATOM 0 HH22 ARG A 17 0.779 11.731 15.696 1.00 1.00 H new ATOM 280 N PRO A 18 -1.866 6.724 8.667 1.00 1.00 N ATOM 281 CA PRO A 18 -2.316 6.217 7.382 1.00 1.00 C ATOM 282 C PRO A 18 -1.206 5.427 6.686 1.00 1.00 C ATOM 283 O PRO A 18 -1.483 4.525 5.896 1.00 1.00 O ATOM 284 CB PRO A 18 -2.747 7.448 6.602 1.00 1.00 C ATOM 285 CG PRO A 18 -2.093 8.632 7.297 1.00 1.00 C ATOM 286 CD PRO A 18 -1.587 8.157 8.649 1.00 1.00 C ATOM 0 HA PRO A 18 -3.142 5.511 7.474 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.430 7.382 5.561 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.832 7.548 6.598 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -1.270 9.020 6.697 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.809 9.445 7.421 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.521 8.354 8.764 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -2.096 8.670 9.465 1.00 1.00 H new ATOM 294 N ALA A 19 0.027 5.793 7.004 1.00 1.00 N ATOM 295 CA ALA A 19 1.179 5.130 6.419 1.00 1.00 C ATOM 296 C ALA A 19 1.122 3.636 6.745 1.00 1.00 C ATOM 297 O ALA A 19 1.205 2.798 5.848 1.00 1.00 O ATOM 298 CB ALA A 19 2.462 5.789 6.930 1.00 1.00 C ATOM 0 H ALA A 19 0.253 6.541 7.660 1.00 1.00 H new ATOM 0 HA ALA A 19 1.170 5.232 5.334 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.327 5.291 6.491 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.467 6.842 6.648 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.507 5.704 8.016 1.00 1.00 H new ATOM 304 N THR A 20 0.982 3.348 8.030 1.00 1.00 N ATOM 305 CA THR A 20 0.913 1.970 8.485 1.00 1.00 C ATOM 306 C THR A 20 -0.443 1.357 8.128 1.00 1.00 C ATOM 307 O THR A 20 -0.522 0.185 7.764 1.00 1.00 O ATOM 308 CB THR A 20 1.211 1.952 9.986 1.00 1.00 C ATOM 309 OG1 THR A 20 1.993 3.124 10.199 1.00 1.00 O ATOM 310 CG2 THR A 20 2.142 0.805 10.384 1.00 1.00 C ATOM 0 H THR A 20 0.914 4.046 8.771 1.00 1.00 H new ATOM 0 HA THR A 20 1.657 1.351 7.983 1.00 1.00 H new ATOM 0 HB THR A 20 0.276 1.870 10.541 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.443 3.810 10.632 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.321 0.838 11.459 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.679 -0.147 10.122 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.090 0.905 9.855 1.00 1.00 H new ATOM 318 N LEU A 21 -1.476 2.179 8.243 1.00 1.00 N ATOM 319 CA LEU A 21 -2.825 1.733 7.936 1.00 1.00 C ATOM 320 C LEU A 21 -2.792 0.838 6.696 1.00 1.00 C ATOM 321 O LEU A 21 -3.358 -0.254 6.698 1.00 1.00 O ATOM 322 CB LEU A 21 -3.768 2.930 7.806 1.00 1.00 C ATOM 323 CG LEU A 21 -5.252 2.643 8.045 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.067 3.939 8.052 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.787 1.635 7.027 1.00 1.00 C ATOM 0 H LEU A 21 -1.406 3.151 8.544 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.223 1.131 8.753 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.448 3.697 8.511 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.656 3.349 6.806 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.358 2.191 9.031 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.118 3.707 8.224 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.705 4.592 8.846 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.959 4.442 7.091 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.844 1.449 7.220 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.667 2.036 6.020 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.232 0.701 7.114 1.00 1.00 H new ATOM 337 N LEU A 22 -2.122 1.334 5.665 1.00 1.00 N ATOM 338 CA LEU A 22 -2.008 0.593 4.421 1.00 1.00 C ATOM 339 C LEU A 22 -1.022 -0.562 4.609 1.00 1.00 C ATOM 340 O LEU A 22 -1.342 -1.711 4.307 1.00 1.00 O ATOM 341 CB LEU A 22 -1.643 1.532 3.270 1.00 1.00 C ATOM 342 CG LEU A 22 -0.506 2.519 3.544 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.709 2.213 2.666 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.982 3.963 3.380 1.00 1.00 C ATOM 0 H LEU A 22 -1.653 2.240 5.667 1.00 1.00 H new ATOM 0 HA LEU A 22 -2.968 0.153 4.150 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.371 0.926 2.406 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.532 2.100 2.995 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.192 2.399 4.581 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.502 2.929 2.881 1.00 1.00 H new ATOM 0 HD12 LEU A 22 1.064 1.204 2.875 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.427 2.288 1.616 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.155 4.644 3.580 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.339 4.115 2.361 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.793 4.161 4.081 1.00 1.00 H new ATOM 356 N VAL A 23 0.156 -0.217 5.106 1.00 1.00 N ATOM 357 CA VAL A 23 1.191 -1.211 5.338 1.00 1.00 C ATOM 358 C VAL A 23 0.664 -2.273 6.305 1.00 1.00 C ATOM 359 O VAL A 23 0.853 -3.468 6.083 1.00 1.00 O ATOM 360 CB VAL A 23 2.468 -0.530 5.835 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.551 0.913 5.333 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.561 -0.586 7.361 1.00 1.00 C ATOM 0 H VAL A 23 0.417 0.737 5.355 1.00 1.00 H new ATOM 0 HA VAL A 23 1.450 -1.718 4.408 1.00 1.00 H new ATOM 0 HB VAL A 23 3.319 -1.076 5.427 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.468 1.374 5.701 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.553 0.919 4.243 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.691 1.475 5.697 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.478 -0.095 7.688 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.701 -0.077 7.797 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.570 -1.626 7.687 1.00 1.00 H new ATOM 372 N GLN A 24 0.014 -1.799 7.357 1.00 1.00 N ATOM 373 CA GLN A 24 -0.542 -2.693 8.359 1.00 1.00 C ATOM 374 C GLN A 24 -1.528 -3.668 7.712 1.00 1.00 C ATOM 375 O GLN A 24 -1.569 -4.844 8.070 1.00 1.00 O ATOM 376 CB GLN A 24 -1.210 -1.905 9.487 1.00 1.00 C ATOM 377 CG GLN A 24 -2.487 -1.221 8.995 1.00 1.00 C ATOM 378 CD GLN A 24 -3.432 -0.921 10.161 1.00 1.00 C ATOM 379 OE1 GLN A 24 -3.155 -0.104 11.024 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.561 -1.624 10.138 1.00 1.00 N ATOM 0 H GLN A 24 -0.140 -0.807 7.538 1.00 1.00 H new ATOM 0 HA GLN A 24 0.274 -3.269 8.797 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.447 -2.575 10.313 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.518 -1.157 9.873 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.233 -0.294 8.481 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.990 -1.860 8.270 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.731 -2.292 9.386 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.257 -1.495 10.872 1.00 1.00 H new ATOM 389 N THR A 25 -2.297 -3.143 6.770 1.00 1.00 N ATOM 390 CA THR A 25 -3.280 -3.953 6.069 1.00 1.00 C ATOM 391 C THR A 25 -2.637 -4.656 4.873 1.00 1.00 C ATOM 392 O THR A 25 -3.003 -5.783 4.540 1.00 1.00 O ATOM 393 CB THR A 25 -4.451 -3.046 5.683 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.529 -3.509 6.491 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.929 -3.286 4.250 1.00 1.00 C ATOM 0 H THR A 25 -2.260 -2.167 6.475 1.00 1.00 H new ATOM 0 HA THR A 25 -3.663 -4.750 6.707 1.00 1.00 H new ATOM 0 HB THR A 25 -4.156 -2.003 5.797 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.329 -2.975 6.306 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.761 -2.617 4.027 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.111 -3.092 3.556 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.257 -4.320 4.144 1.00 1.00 H new ATOM 403 N ALA A 26 -1.689 -3.963 4.259 1.00 1.00 N ATOM 404 CA ALA A 26 -0.991 -4.508 3.107 1.00 1.00 C ATOM 405 C ALA A 26 -0.023 -5.598 3.571 1.00 1.00 C ATOM 406 O ALA A 26 0.131 -6.621 2.905 1.00 1.00 O ATOM 407 CB ALA A 26 -0.281 -3.378 2.359 1.00 1.00 C ATOM 0 H ALA A 26 -1.388 -3.029 4.538 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.696 -4.967 2.413 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.243 -3.787 1.495 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.015 -2.645 2.025 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.436 -2.896 3.023 1.00 1.00 H new ATOM 413 N SER A 27 0.605 -5.342 4.709 1.00 1.00 N ATOM 414 CA SER A 27 1.554 -6.289 5.270 1.00 1.00 C ATOM 415 C SER A 27 0.835 -7.250 6.219 1.00 1.00 C ATOM 416 O SER A 27 1.476 -7.951 7.000 1.00 1.00 O ATOM 417 CB SER A 27 2.686 -5.566 6.002 1.00 1.00 C ATOM 418 OG SER A 27 2.566 -5.683 7.418 1.00 1.00 O ATOM 0 H SER A 27 0.475 -4.492 5.258 1.00 1.00 H new ATOM 0 HA SER A 27 1.994 -6.859 4.451 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.644 -5.977 5.684 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.683 -4.512 5.724 1.00 1.00 H new ATOM 0 HG SER A 27 2.493 -6.629 7.663 1.00 1.00 H new ATOM 424 N LYS A 28 -0.486 -7.251 6.121 1.00 1.00 N ATOM 425 CA LYS A 28 -1.299 -8.114 6.961 1.00 1.00 C ATOM 426 C LYS A 28 -1.799 -9.300 6.134 1.00 1.00 C ATOM 427 O LYS A 28 -2.597 -10.104 6.614 1.00 1.00 O ATOM 428 CB LYS A 28 -2.419 -7.313 7.628 1.00 1.00 C ATOM 429 CG LYS A 28 -3.741 -8.082 7.589 1.00 1.00 C ATOM 430 CD LYS A 28 -4.522 -7.765 6.312 1.00 1.00 C ATOM 431 CE LYS A 28 -5.903 -7.194 6.642 1.00 1.00 C ATOM 432 NZ LYS A 28 -6.930 -8.260 6.592 1.00 1.00 N ATOM 0 H LYS A 28 -1.014 -6.667 5.472 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.702 -8.523 7.777 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.150 -7.097 8.662 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -2.537 -6.355 7.122 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.545 -9.153 7.643 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -4.342 -7.824 8.461 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -3.964 -7.050 5.708 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -4.632 -8.670 5.714 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -5.888 -6.741 7.633 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -6.155 -6.404 5.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -7.864 -7.853 6.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -6.943 -8.685 5.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -6.706 -8.992 7.296 1.00 1.00 H new ATOM 446 N PHE A 29 -1.309 -9.372 4.905 1.00 1.00 N ATOM 447 CA PHE A 29 -1.696 -10.446 4.007 1.00 1.00 C ATOM 448 C PHE A 29 -0.537 -11.420 3.785 1.00 1.00 C ATOM 449 O PHE A 29 0.609 -11.109 4.104 1.00 1.00 O ATOM 450 CB PHE A 29 -2.067 -9.800 2.671 1.00 1.00 C ATOM 451 CG PHE A 29 -3.033 -8.620 2.797 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.133 -8.723 3.589 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.790 -7.468 2.116 1.00 1.00 C ATOM 454 CE1 PHE A 29 -5.029 -7.628 3.706 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.687 -6.372 2.233 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.787 -6.476 3.026 1.00 1.00 C ATOM 0 H PHE A 29 -0.647 -8.704 4.510 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.529 -11.006 4.433 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.156 -9.460 2.178 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.515 -10.556 2.026 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.325 -9.638 4.129 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.916 -7.386 1.487 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.903 -7.710 4.335 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.495 -5.457 1.692 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.469 -5.643 3.116 1.00 1.00 H new ATOM 466 N ASN A 30 -0.876 -12.579 3.239 1.00 1.00 N ATOM 467 CA ASN A 30 0.122 -13.600 2.971 1.00 1.00 C ATOM 468 C ASN A 30 0.608 -13.465 1.527 1.00 1.00 C ATOM 469 O ASN A 30 1.449 -14.241 1.076 1.00 1.00 O ATOM 470 CB ASN A 30 -0.465 -15.003 3.143 1.00 1.00 C ATOM 471 CG ASN A 30 -0.225 -15.528 4.560 1.00 1.00 C ATOM 472 OD1 ASN A 30 -0.152 -14.781 5.522 1.00 1.00 O ATOM 473 ND2 ASN A 30 -0.108 -16.850 4.634 1.00 1.00 N ATOM 0 H ASN A 30 -1.828 -12.833 2.975 1.00 1.00 H new ATOM 0 HA ASN A 30 0.942 -13.463 3.676 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.535 -14.981 2.936 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.014 -15.681 2.419 1.00 1.00 H new ATOM 0 HD21 ASN A 30 0.053 -17.298 5.536 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -0.179 -17.416 3.789 1.00 1.00 H new ATOM 480 N SER A 31 0.058 -12.474 0.841 1.00 1.00 N ATOM 481 CA SER A 31 0.425 -12.227 -0.543 1.00 1.00 C ATOM 482 C SER A 31 1.506 -11.146 -0.613 1.00 1.00 C ATOM 483 O SER A 31 1.907 -10.597 0.412 1.00 1.00 O ATOM 484 CB SER A 31 -0.794 -11.813 -1.370 1.00 1.00 C ATOM 485 OG SER A 31 -1.364 -12.916 -2.070 1.00 1.00 O ATOM 0 H SER A 31 -0.639 -11.832 1.218 1.00 1.00 H new ATOM 0 HA SER A 31 0.818 -13.153 -0.963 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.545 -11.373 -0.714 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.503 -11.042 -2.084 1.00 1.00 H new ATOM 0 HG SER A 31 -1.431 -12.699 -3.023 1.00 1.00 H new ATOM 491 N ASP A 32 1.947 -10.873 -1.832 1.00 1.00 N ATOM 492 CA ASP A 32 2.973 -9.868 -2.049 1.00 1.00 C ATOM 493 C ASP A 32 2.310 -8.538 -2.411 1.00 1.00 C ATOM 494 O ASP A 32 2.216 -8.186 -3.586 1.00 1.00 O ATOM 495 CB ASP A 32 3.897 -10.265 -3.203 1.00 1.00 C ATOM 496 CG ASP A 32 4.960 -11.307 -2.850 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.835 -10.968 -2.023 1.00 1.00 O ATOM 498 OD2 ASP A 32 4.875 -12.419 -3.415 1.00 1.00 O ATOM 0 H ASP A 32 1.612 -11.331 -2.680 1.00 1.00 H new ATOM 0 HA ASP A 32 3.557 -9.779 -1.133 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.288 -10.652 -4.020 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.396 -9.370 -3.574 1.00 1.00 H new ATOM 503 N ILE A 33 1.867 -7.834 -1.379 1.00 1.00 N ATOM 504 CA ILE A 33 1.215 -6.550 -1.574 1.00 1.00 C ATOM 505 C ILE A 33 2.164 -5.431 -1.141 1.00 1.00 C ATOM 506 O ILE A 33 2.663 -5.435 -0.017 1.00 1.00 O ATOM 507 CB ILE A 33 -0.136 -6.522 -0.857 1.00 1.00 C ATOM 508 CG1 ILE A 33 -0.955 -5.301 -1.281 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.046 -6.591 0.660 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.707 -4.121 -0.339 1.00 1.00 C ATOM 0 H ILE A 33 1.947 -8.129 -0.406 1.00 1.00 H new ATOM 0 HA ILE A 33 0.994 -6.391 -2.629 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.699 -7.407 -1.154 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.692 -5.019 -2.301 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.016 -5.553 -1.283 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.930 -6.569 1.145 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.561 -7.515 0.923 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.636 -5.738 0.995 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.301 -3.266 -0.662 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.993 -4.399 0.675 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.350 -3.856 -0.358 1.00 1.00 H new ATOM 522 N ASN A 34 2.386 -4.500 -2.058 1.00 1.00 N ATOM 523 CA ASN A 34 3.267 -3.377 -1.785 1.00 1.00 C ATOM 524 C ASN A 34 2.642 -2.097 -2.345 1.00 1.00 C ATOM 525 O ASN A 34 1.573 -2.138 -2.951 1.00 1.00 O ATOM 526 CB ASN A 34 4.629 -3.570 -2.455 1.00 1.00 C ATOM 527 CG ASN A 34 5.269 -4.891 -2.025 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.748 -5.624 -1.200 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.425 -5.154 -2.628 1.00 1.00 N ATOM 0 H ASN A 34 1.971 -4.501 -2.990 1.00 1.00 H new ATOM 0 HA ASN A 34 3.402 -3.309 -0.706 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.511 -3.555 -3.538 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.287 -2.741 -2.195 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.931 -6.012 -2.409 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.806 -4.497 -3.309 1.00 1.00 H new ATOM 536 N LEU A 35 3.336 -0.991 -2.121 1.00 1.00 N ATOM 537 CA LEU A 35 2.863 0.298 -2.595 1.00 1.00 C ATOM 538 C LEU A 35 3.877 0.877 -3.585 1.00 1.00 C ATOM 539 O LEU A 35 5.084 0.747 -3.388 1.00 1.00 O ATOM 540 CB LEU A 35 2.557 1.224 -1.416 1.00 1.00 C ATOM 541 CG LEU A 35 3.531 2.386 -1.206 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.591 3.282 -2.445 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.177 3.176 0.056 1.00 1.00 C ATOM 0 H LEU A 35 4.222 -0.961 -1.617 1.00 1.00 H new ATOM 0 HA LEU A 35 1.922 0.183 -3.133 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.556 1.635 -1.552 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.535 0.625 -0.505 1.00 1.00 H new ATOM 0 HG LEU A 35 4.529 1.973 -1.059 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.290 4.100 -2.269 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.925 2.697 -3.302 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.600 3.689 -2.648 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.884 3.996 0.182 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.168 3.578 -0.037 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.226 2.518 0.923 1.00 1.00 H new ATOM 555 N GLU A 36 3.348 1.502 -4.627 1.00 1.00 N ATOM 556 CA GLU A 36 4.192 2.101 -5.647 1.00 1.00 C ATOM 557 C GLU A 36 3.855 3.584 -5.812 1.00 1.00 C ATOM 558 O GLU A 36 2.743 3.930 -6.210 1.00 1.00 O ATOM 559 CB GLU A 36 4.057 1.356 -6.976 1.00 1.00 C ATOM 560 CG GLU A 36 4.885 2.032 -8.071 1.00 1.00 C ATOM 561 CD GLU A 36 5.074 1.101 -9.270 1.00 1.00 C ATOM 562 OE1 GLU A 36 4.076 0.902 -9.996 1.00 1.00 O ATOM 563 OE2 GLU A 36 6.211 0.610 -9.434 1.00 1.00 O ATOM 0 H GLU A 36 2.346 1.606 -4.787 1.00 1.00 H new ATOM 0 HA GLU A 36 5.230 2.019 -5.326 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.384 0.324 -6.853 1.00 1.00 H new ATOM 0 HB3 GLU A 36 3.009 1.325 -7.275 1.00 1.00 H new ATOM 0 HG2 GLU A 36 4.390 2.948 -8.392 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.858 2.318 -7.672 1.00 1.00 H new ATOM 570 N TYR A 37 4.833 4.419 -5.498 1.00 1.00 N ATOM 571 CA TYR A 37 4.654 5.857 -5.607 1.00 1.00 C ATOM 572 C TYR A 37 5.596 6.449 -6.657 1.00 1.00 C ATOM 573 O TYR A 37 6.813 6.429 -6.486 1.00 1.00 O ATOM 574 CB TYR A 37 5.013 6.432 -4.235 1.00 1.00 C ATOM 575 CG TYR A 37 5.076 7.960 -4.198 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.284 8.705 -5.048 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.927 8.594 -3.315 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.344 10.143 -5.013 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.987 10.033 -3.280 1.00 1.00 C ATOM 580 CZ TYR A 37 5.192 10.736 -4.131 1.00 1.00 C ATOM 581 OH TYR A 37 5.249 12.094 -4.098 1.00 1.00 O ATOM 0 H TYR A 37 5.753 4.128 -5.168 1.00 1.00 H new ATOM 0 HA TYR A 37 3.633 6.095 -5.906 1.00 1.00 H new ATOM 0 HB2 TYR A 37 4.278 6.091 -3.506 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.978 6.031 -3.926 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.619 8.209 -5.740 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.548 8.011 -2.651 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.729 10.737 -5.673 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.648 10.542 -2.594 1.00 1.00 H new ATOM 0 HH TYR A 37 5.897 12.378 -3.419 1.00 1.00 H new ATOM 591 N LYS A 38 4.996 6.963 -7.721 1.00 1.00 N ATOM 592 CA LYS A 38 5.766 7.560 -8.799 1.00 1.00 C ATOM 593 C LYS A 38 6.512 6.460 -9.557 1.00 1.00 C ATOM 594 O LYS A 38 7.301 6.746 -10.456 1.00 1.00 O ATOM 595 CB LYS A 38 6.679 8.662 -8.259 1.00 1.00 C ATOM 596 CG LYS A 38 5.925 9.569 -7.284 1.00 1.00 C ATOM 597 CD LYS A 38 6.217 11.044 -7.570 1.00 1.00 C ATOM 598 CE LYS A 38 7.596 11.443 -7.042 1.00 1.00 C ATOM 599 NZ LYS A 38 7.736 12.916 -7.018 1.00 1.00 N ATOM 0 H LYS A 38 3.986 6.978 -7.859 1.00 1.00 H new ATOM 0 HA LYS A 38 5.104 8.048 -9.514 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.537 8.215 -7.756 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.068 9.255 -9.087 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.854 9.384 -7.364 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.214 9.329 -6.261 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.168 11.226 -8.644 1.00 1.00 H new ATOM 0 HD3 LYS A 38 5.452 11.666 -7.106 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.738 11.042 -6.038 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.373 11.008 -7.671 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 8.678 13.169 -6.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 7.622 13.291 -7.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.007 13.324 -6.399 1.00 1.00 H new ATOM 613 N GLY A 39 6.235 5.224 -9.166 1.00 1.00 N ATOM 614 CA GLY A 39 6.871 4.080 -9.797 1.00 1.00 C ATOM 615 C GLY A 39 7.665 3.262 -8.777 1.00 1.00 C ATOM 616 O GLY A 39 8.156 2.179 -9.092 1.00 1.00 O ATOM 0 H GLY A 39 5.579 4.990 -8.421 1.00 1.00 H new ATOM 0 HA2 GLY A 39 6.114 3.450 -10.263 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.535 4.421 -10.591 1.00 1.00 H new ATOM 620 N LYS A 40 7.766 3.811 -7.576 1.00 1.00 N ATOM 621 CA LYS A 40 8.493 3.146 -6.508 1.00 1.00 C ATOM 622 C LYS A 40 7.555 2.176 -5.786 1.00 1.00 C ATOM 623 O LYS A 40 6.783 2.582 -4.919 1.00 1.00 O ATOM 624 CB LYS A 40 9.144 4.175 -5.581 1.00 1.00 C ATOM 625 CG LYS A 40 10.478 3.657 -5.039 1.00 1.00 C ATOM 626 CD LYS A 40 10.269 2.827 -3.770 1.00 1.00 C ATOM 627 CE LYS A 40 9.732 3.694 -2.630 1.00 1.00 C ATOM 628 NZ LYS A 40 10.442 4.992 -2.588 1.00 1.00 N ATOM 0 H LYS A 40 7.357 4.709 -7.318 1.00 1.00 H new ATOM 0 HA LYS A 40 9.313 2.555 -6.916 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.305 5.107 -6.122 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.473 4.399 -4.752 1.00 1.00 H new ATOM 0 HG2 LYS A 40 10.972 3.050 -5.798 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.138 4.497 -4.824 1.00 1.00 H new ATOM 0 HD2 LYS A 40 9.571 2.015 -3.973 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.212 2.370 -3.471 1.00 1.00 H new ATOM 0 HE2 LYS A 40 8.663 3.861 -2.765 1.00 1.00 H new ATOM 0 HE3 LYS A 40 9.856 3.174 -1.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.532 5.307 -1.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.389 4.883 -3.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.905 5.699 -3.130 1.00 1.00 H new ATOM 642 N SER A 41 7.652 0.912 -6.172 1.00 1.00 N ATOM 643 CA SER A 41 6.822 -0.119 -5.573 1.00 1.00 C ATOM 644 C SER A 41 7.636 -0.923 -4.558 1.00 1.00 C ATOM 645 O SER A 41 8.544 -1.664 -4.932 1.00 1.00 O ATOM 646 CB SER A 41 6.240 -1.048 -6.641 1.00 1.00 C ATOM 647 OG SER A 41 7.097 -2.154 -6.910 1.00 1.00 O ATOM 0 H SER A 41 8.293 0.579 -6.892 1.00 1.00 H new ATOM 0 HA SER A 41 5.992 0.367 -5.060 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.268 -1.414 -6.312 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.075 -0.485 -7.560 1.00 1.00 H new ATOM 0 HG SER A 41 8.006 -1.944 -6.609 1.00 1.00 H new ATOM 653 N VAL A 42 7.283 -0.748 -3.293 1.00 1.00 N ATOM 654 CA VAL A 42 7.970 -1.448 -2.220 1.00 1.00 C ATOM 655 C VAL A 42 6.965 -1.809 -1.125 1.00 1.00 C ATOM 656 O VAL A 42 6.007 -1.073 -0.891 1.00 1.00 O ATOM 657 CB VAL A 42 9.136 -0.601 -1.706 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.981 -0.069 -2.865 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.635 0.543 -0.822 1.00 1.00 C ATOM 0 H VAL A 42 6.530 -0.132 -2.987 1.00 1.00 H new ATOM 0 HA VAL A 42 8.399 -2.381 -2.586 1.00 1.00 H new ATOM 0 HB VAL A 42 9.772 -1.242 -1.096 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.803 0.530 -2.472 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.383 -0.906 -3.436 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.360 0.549 -3.514 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.484 1.129 -0.470 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.966 1.182 -1.399 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.097 0.133 0.033 1.00 1.00 H new ATOM 669 N ASN A 43 7.216 -2.941 -0.485 1.00 1.00 N ATOM 670 CA ASN A 43 6.345 -3.408 0.580 1.00 1.00 C ATOM 671 C ASN A 43 5.957 -2.227 1.471 1.00 1.00 C ATOM 672 O ASN A 43 6.557 -2.016 2.524 1.00 1.00 O ATOM 673 CB ASN A 43 7.050 -4.448 1.453 1.00 1.00 C ATOM 674 CG ASN A 43 7.979 -5.328 0.615 1.00 1.00 C ATOM 675 OD1 ASN A 43 9.078 -4.943 0.248 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.480 -6.528 0.333 1.00 1.00 N ATOM 0 H ASN A 43 8.011 -3.549 -0.683 1.00 1.00 H new ATOM 0 HA ASN A 43 5.465 -3.859 0.122 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.624 -3.946 2.232 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.309 -5.070 1.954 1.00 1.00 H new ATOM 0 HD21 ASN A 43 8.024 -7.189 -0.221 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.553 -6.787 0.671 1.00 1.00 H new ATOM 683 N LEU A 44 4.957 -1.486 1.016 1.00 1.00 N ATOM 684 CA LEU A 44 4.482 -0.331 1.759 1.00 1.00 C ATOM 685 C LEU A 44 5.070 -0.362 3.171 1.00 1.00 C ATOM 686 O LEU A 44 5.509 0.665 3.688 1.00 1.00 O ATOM 687 CB LEU A 44 2.954 -0.267 1.731 1.00 1.00 C ATOM 688 CG LEU A 44 2.254 -1.322 0.872 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.504 -2.729 1.418 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.761 -1.017 0.737 1.00 1.00 C ATOM 0 H LEU A 44 4.462 -1.663 0.142 1.00 1.00 H new ATOM 0 HA LEU A 44 4.825 0.591 1.290 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.588 -0.358 2.753 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.658 0.719 1.373 1.00 1.00 H new ATOM 0 HG LEU A 44 2.682 -1.285 -0.130 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.995 -3.459 0.789 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.575 -2.934 1.419 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.121 -2.798 2.436 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.288 -1.782 0.122 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.300 -1.009 1.725 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.630 -0.042 0.268 1.00 1.00 H new ATOM 702 N LYS A 45 5.061 -1.551 3.756 1.00 1.00 N ATOM 703 CA LYS A 45 5.588 -1.729 5.098 1.00 1.00 C ATOM 704 C LYS A 45 7.103 -1.516 5.079 1.00 1.00 C ATOM 705 O LYS A 45 7.770 -1.685 6.098 1.00 1.00 O ATOM 706 CB LYS A 45 5.166 -3.086 5.664 1.00 1.00 C ATOM 707 CG LYS A 45 5.682 -3.270 7.093 1.00 1.00 C ATOM 708 CD LYS A 45 4.547 -3.659 8.041 1.00 1.00 C ATOM 709 CE LYS A 45 4.841 -4.991 8.733 1.00 1.00 C ATOM 710 NZ LYS A 45 3.720 -5.375 9.618 1.00 1.00 N ATOM 0 H LYS A 45 4.697 -2.401 3.325 1.00 1.00 H new ATOM 0 HA LYS A 45 5.169 -0.983 5.773 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.079 -3.166 5.653 1.00 1.00 H new ATOM 0 HB3 LYS A 45 5.551 -3.884 5.029 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.453 -4.040 7.108 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.147 -2.346 7.437 1.00 1.00 H new ATOM 0 HD2 LYS A 45 4.411 -2.879 8.790 1.00 1.00 H new ATOM 0 HD3 LYS A 45 3.613 -3.733 7.484 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.004 -5.767 7.986 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.760 -4.910 9.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 3.997 -6.196 10.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 3.483 -4.579 10.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 2.890 -5.620 9.041 1.00 1.00 H new ATOM 724 N SER A 46 7.602 -1.146 3.909 1.00 1.00 N ATOM 725 CA SER A 46 9.026 -0.908 3.743 1.00 1.00 C ATOM 726 C SER A 46 9.352 0.553 4.061 1.00 1.00 C ATOM 727 O SER A 46 9.475 1.376 3.156 1.00 1.00 O ATOM 728 CB SER A 46 9.482 -1.257 2.325 1.00 1.00 C ATOM 729 OG SER A 46 10.901 -1.243 2.202 1.00 1.00 O ATOM 0 H SER A 46 7.045 -1.005 3.066 1.00 1.00 H new ATOM 0 HA SER A 46 9.564 -1.554 4.437 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.104 -2.243 2.055 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.050 -0.547 1.620 1.00 1.00 H new ATOM 0 HG SER A 46 11.152 -1.472 1.283 1.00 1.00 H new ATOM 735 N ILE A 47 9.483 0.829 5.350 1.00 1.00 N ATOM 736 CA ILE A 47 9.793 2.176 5.799 1.00 1.00 C ATOM 737 C ILE A 47 10.819 2.801 4.852 1.00 1.00 C ATOM 738 O ILE A 47 10.579 3.866 4.285 1.00 1.00 O ATOM 739 CB ILE A 47 10.234 2.165 7.264 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.425 3.169 8.088 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.740 2.405 7.385 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.923 2.953 7.895 1.00 1.00 C ATOM 0 H ILE A 47 9.380 0.143 6.098 1.00 1.00 H new ATOM 0 HA ILE A 47 8.902 2.804 5.764 1.00 1.00 H new ATOM 0 HB ILE A 47 10.032 1.176 7.674 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.678 3.066 9.143 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.691 4.184 7.794 1.00 1.00 H new ATOM 0 HG21 ILE A 47 12.027 2.392 8.436 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.277 1.620 6.853 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.990 3.374 6.952 1.00 1.00 H new ATOM 0 HD11 ILE A 47 7.371 3.680 8.492 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.669 3.080 6.843 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.657 1.945 8.213 1.00 1.00 H new ATOM 754 N MET A 48 11.942 2.112 4.710 1.00 1.00 N ATOM 755 CA MET A 48 13.007 2.586 3.842 1.00 1.00 C ATOM 756 C MET A 48 12.439 3.154 2.539 1.00 1.00 C ATOM 757 O MET A 48 12.380 4.370 2.362 1.00 1.00 O ATOM 758 CB MET A 48 13.958 1.431 3.523 1.00 1.00 C ATOM 759 CG MET A 48 15.019 1.858 2.506 1.00 1.00 C ATOM 760 SD MET A 48 15.487 0.467 1.491 1.00 1.00 S ATOM 761 CE MET A 48 13.934 0.142 0.674 1.00 1.00 C ATOM 0 H MET A 48 12.138 1.229 5.182 1.00 1.00 H new ATOM 0 HA MET A 48 13.546 3.380 4.359 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.443 1.091 4.438 1.00 1.00 H new ATOM 0 HB3 MET A 48 13.391 0.587 3.130 1.00 1.00 H new ATOM 0 HG2 MET A 48 14.632 2.662 1.880 1.00 1.00 H new ATOM 0 HG3 MET A 48 15.894 2.251 3.024 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.095 -0.554 -0.149 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.233 -0.293 1.386 1.00 1.00 H new ATOM 0 HE3 MET A 48 13.525 1.075 0.286 1.00 1.00 H new ATOM 771 N GLY A 49 12.036 2.247 1.661 1.00 1.00 N ATOM 772 CA GLY A 49 11.476 2.642 0.380 1.00 1.00 C ATOM 773 C GLY A 49 10.299 3.602 0.569 1.00 1.00 C ATOM 774 O GLY A 49 10.186 4.598 -0.142 1.00 1.00 O ATOM 0 H GLY A 49 12.086 1.239 1.812 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.246 3.120 -0.226 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.145 1.758 -0.165 1.00 1.00 H new ATOM 778 N VAL A 50 9.453 3.266 1.532 1.00 1.00 N ATOM 779 CA VAL A 50 8.289 4.085 1.824 1.00 1.00 C ATOM 780 C VAL A 50 8.747 5.478 2.263 1.00 1.00 C ATOM 781 O VAL A 50 8.406 6.476 1.630 1.00 1.00 O ATOM 782 CB VAL A 50 7.407 3.391 2.863 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.208 4.278 4.094 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.063 2.983 2.258 1.00 1.00 C ATOM 0 H VAL A 50 9.551 2.438 2.120 1.00 1.00 H new ATOM 0 HA VAL A 50 7.677 4.210 0.930 1.00 1.00 H new ATOM 0 HB VAL A 50 7.919 2.483 3.183 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.577 3.761 4.817 1.00 1.00 H new ATOM 0 HG12 VAL A 50 8.176 4.495 4.546 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.729 5.211 3.797 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.456 2.492 3.018 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.543 3.870 1.895 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.231 2.296 1.428 1.00 1.00 H new ATOM 794 N MET A 51 9.514 5.500 3.343 1.00 1.00 N ATOM 795 CA MET A 51 10.022 6.753 3.874 1.00 1.00 C ATOM 796 C MET A 51 10.441 7.697 2.745 1.00 1.00 C ATOM 797 O MET A 51 10.165 8.895 2.798 1.00 1.00 O ATOM 798 CB MET A 51 11.224 6.474 4.779 1.00 1.00 C ATOM 799 CG MET A 51 10.771 6.005 6.163 1.00 1.00 C ATOM 800 SD MET A 51 9.778 7.268 6.941 1.00 1.00 S ATOM 801 CE MET A 51 10.468 8.723 6.171 1.00 1.00 C ATOM 0 H MET A 51 9.796 4.670 3.865 1.00 1.00 H new ATOM 0 HA MET A 51 9.228 7.232 4.447 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.858 5.714 4.323 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.828 7.376 4.876 1.00 1.00 H new ATOM 0 HG2 MET A 51 10.197 5.083 6.074 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.639 5.781 6.782 1.00 1.00 H new ATOM 0 HE1 MET A 51 10.326 9.583 6.826 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.533 8.572 5.996 1.00 1.00 H new ATOM 0 HE3 MET A 51 9.966 8.904 5.220 1.00 1.00 H new ATOM 811 N SER A 52 11.100 7.122 1.750 1.00 1.00 N ATOM 812 CA SER A 52 11.560 7.897 0.610 1.00 1.00 C ATOM 813 C SER A 52 10.384 8.215 -0.315 1.00 1.00 C ATOM 814 O SER A 52 10.412 9.206 -1.043 1.00 1.00 O ATOM 815 CB SER A 52 12.653 7.152 -0.158 1.00 1.00 C ATOM 816 OG SER A 52 12.272 5.813 -0.465 1.00 1.00 O ATOM 0 H SER A 52 11.327 6.128 1.709 1.00 1.00 H new ATOM 0 HA SER A 52 11.986 8.830 0.980 1.00 1.00 H new ATOM 0 HB2 SER A 52 12.876 7.686 -1.082 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.569 7.142 0.433 1.00 1.00 H new ATOM 0 HG SER A 52 11.398 5.621 -0.064 1.00 1.00 H new ATOM 822 N LEU A 53 9.377 7.355 -0.257 1.00 1.00 N ATOM 823 CA LEU A 53 8.193 7.532 -1.081 1.00 1.00 C ATOM 824 C LEU A 53 7.162 8.362 -0.313 1.00 1.00 C ATOM 825 O LEU A 53 6.715 9.401 -0.795 1.00 1.00 O ATOM 826 CB LEU A 53 7.663 6.177 -1.554 1.00 1.00 C ATOM 827 CG LEU A 53 6.516 5.582 -0.734 1.00 1.00 C ATOM 828 CD1 LEU A 53 5.218 6.357 -0.965 1.00 1.00 C ATOM 829 CD2 LEU A 53 6.352 4.089 -1.024 1.00 1.00 C ATOM 0 H LEU A 53 9.357 6.534 0.348 1.00 1.00 H new ATOM 0 HA LEU A 53 8.438 8.087 -1.987 1.00 1.00 H new ATOM 0 HB2 LEU A 53 7.330 6.280 -2.587 1.00 1.00 H new ATOM 0 HB3 LEU A 53 8.489 5.466 -1.555 1.00 1.00 H new ATOM 0 HG LEU A 53 6.765 5.679 0.323 1.00 1.00 H new ATOM 0 HD11 LEU A 53 4.419 5.914 -0.371 1.00 1.00 H new ATOM 0 HD12 LEU A 53 5.357 7.397 -0.668 1.00 1.00 H new ATOM 0 HD13 LEU A 53 4.952 6.314 -2.021 1.00 1.00 H new ATOM 0 HD21 LEU A 53 5.530 3.691 -0.429 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.136 3.946 -2.083 1.00 1.00 H new ATOM 0 HD23 LEU A 53 7.273 3.565 -0.768 1.00 1.00 H new ATOM 841 N GLY A 54 6.816 7.871 0.868 1.00 1.00 N ATOM 842 CA GLY A 54 5.846 8.555 1.706 1.00 1.00 C ATOM 843 C GLY A 54 5.061 9.593 0.902 1.00 1.00 C ATOM 844 O GLY A 54 5.602 10.631 0.525 1.00 1.00 O ATOM 0 H GLY A 54 7.190 7.009 1.264 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.158 7.829 2.139 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.357 9.043 2.536 1.00 1.00 H new ATOM 848 N VAL A 55 3.796 9.276 0.663 1.00 1.00 N ATOM 849 CA VAL A 55 2.931 10.168 -0.090 1.00 1.00 C ATOM 850 C VAL A 55 2.035 10.941 0.880 1.00 1.00 C ATOM 851 O VAL A 55 2.173 10.811 2.096 1.00 1.00 O ATOM 852 CB VAL A 55 2.139 9.374 -1.131 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.658 9.652 -2.543 1.00 1.00 C ATOM 854 CG2 VAL A 55 2.173 7.876 -0.820 1.00 1.00 C ATOM 0 H VAL A 55 3.350 8.414 0.978 1.00 1.00 H new ATOM 0 HA VAL A 55 3.523 10.900 -0.640 1.00 1.00 H new ATOM 0 HB VAL A 55 1.101 9.703 -1.084 1.00 1.00 H new ATOM 0 HG11 VAL A 55 2.078 9.075 -3.264 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.559 10.715 -2.764 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.707 9.364 -2.608 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.603 7.335 -1.575 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.205 7.527 -0.825 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.735 7.698 0.162 1.00 1.00 H new ATOM 864 N GLY A 56 1.137 11.728 0.307 1.00 1.00 N ATOM 865 CA GLY A 56 0.218 12.522 1.105 1.00 1.00 C ATOM 866 C GLY A 56 -0.452 13.604 0.257 1.00 1.00 C ATOM 867 O GLY A 56 -1.498 13.366 -0.345 1.00 1.00 O ATOM 0 H GLY A 56 1.026 11.833 -0.701 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.542 11.875 1.542 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.756 12.985 1.932 1.00 1.00 H new ATOM 871 N GLN A 57 0.177 14.769 0.235 1.00 1.00 N ATOM 872 CA GLN A 57 -0.345 15.888 -0.530 1.00 1.00 C ATOM 873 C GLN A 57 -0.997 15.390 -1.822 1.00 1.00 C ATOM 874 O GLN A 57 -0.366 15.387 -2.878 1.00 1.00 O ATOM 875 CB GLN A 57 0.754 16.910 -0.829 1.00 1.00 C ATOM 876 CG GLN A 57 0.597 18.156 0.045 1.00 1.00 C ATOM 877 CD GLN A 57 1.815 19.072 -0.083 1.00 1.00 C ATOM 878 OE1 GLN A 57 1.945 19.849 -1.015 1.00 1.00 O ATOM 879 NE2 GLN A 57 2.698 18.939 0.902 1.00 1.00 N ATOM 0 H GLN A 57 1.045 14.963 0.735 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.106 16.388 0.069 1.00 1.00 H new ATOM 0 HB2 GLN A 57 1.731 16.460 -0.654 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.716 17.192 -1.881 1.00 1.00 H new ATOM 0 HG2 GLN A 57 -0.303 18.698 -0.247 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.468 17.860 1.086 1.00 1.00 H new ATOM 0 HE21 GLN A 57 2.528 18.269 1.652 1.00 1.00 H new ATOM 0 HE22 GLN A 57 3.545 19.507 0.907 1.00 1.00 H new ATOM 888 N GLY A 58 -2.251 14.981 -1.695 1.00 1.00 N ATOM 889 CA GLY A 58 -2.994 14.482 -2.839 1.00 1.00 C ATOM 890 C GLY A 58 -2.108 13.610 -3.731 1.00 1.00 C ATOM 891 O GLY A 58 -2.460 13.326 -4.875 1.00 1.00 O ATOM 0 H GLY A 58 -2.771 14.985 -0.817 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -3.852 13.904 -2.496 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.385 15.320 -3.417 1.00 1.00 H new ATOM 895 N SER A 59 -0.975 13.209 -3.173 1.00 1.00 N ATOM 896 CA SER A 59 -0.036 12.375 -3.904 1.00 1.00 C ATOM 897 C SER A 59 -0.758 11.158 -4.485 1.00 1.00 C ATOM 898 O SER A 59 -1.929 10.927 -4.188 1.00 1.00 O ATOM 899 CB SER A 59 1.118 11.927 -3.004 1.00 1.00 C ATOM 900 OG SER A 59 1.611 12.993 -2.197 1.00 1.00 O ATOM 0 H SER A 59 -0.686 13.446 -2.224 1.00 1.00 H new ATOM 0 HA SER A 59 0.382 12.965 -4.720 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.782 11.112 -2.363 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.927 11.535 -3.620 1.00 1.00 H new ATOM 0 HG SER A 59 2.441 12.713 -1.757 1.00 1.00 H new ATOM 906 N ASP A 60 -0.030 10.412 -5.303 1.00 1.00 N ATOM 907 CA ASP A 60 -0.587 9.225 -5.929 1.00 1.00 C ATOM 908 C ASP A 60 0.433 8.087 -5.852 1.00 1.00 C ATOM 909 O ASP A 60 1.637 8.321 -5.940 1.00 1.00 O ATOM 910 CB ASP A 60 -0.905 9.477 -7.404 1.00 1.00 C ATOM 911 CG ASP A 60 0.312 9.753 -8.289 1.00 1.00 C ATOM 912 OD1 ASP A 60 1.105 8.804 -8.475 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.422 10.905 -8.760 1.00 1.00 O ATOM 0 H ASP A 60 0.941 10.607 -5.547 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.505 8.965 -5.402 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.434 8.610 -7.800 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.586 10.325 -7.474 1.00 1.00 H new ATOM 918 N VAL A 61 -0.087 6.879 -5.690 1.00 1.00 N ATOM 919 CA VAL A 61 0.763 5.704 -5.601 1.00 1.00 C ATOM 920 C VAL A 61 0.038 4.507 -6.219 1.00 1.00 C ATOM 921 O VAL A 61 -1.109 4.625 -6.647 1.00 1.00 O ATOM 922 CB VAL A 61 1.179 5.467 -4.148 1.00 1.00 C ATOM 923 CG1 VAL A 61 2.031 6.626 -3.625 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.045 5.242 -3.258 1.00 1.00 C ATOM 0 H VAL A 61 -1.087 6.689 -5.618 1.00 1.00 H new ATOM 0 HA VAL A 61 1.682 5.854 -6.167 1.00 1.00 H new ATOM 0 HB VAL A 61 1.788 4.563 -4.117 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.313 6.432 -2.590 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.930 6.721 -4.234 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.458 7.552 -3.677 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.278 5.076 -2.230 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.690 6.119 -3.298 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.596 4.370 -3.611 1.00 1.00 H new ATOM 934 N THR A 62 0.737 3.382 -6.245 1.00 1.00 N ATOM 935 CA THR A 62 0.174 2.164 -6.803 1.00 1.00 C ATOM 936 C THR A 62 0.411 0.985 -5.857 1.00 1.00 C ATOM 937 O THR A 62 1.520 0.797 -5.359 1.00 1.00 O ATOM 938 CB THR A 62 0.777 1.958 -8.194 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.178 2.543 -9.076 1.00 1.00 O ATOM 940 CG2 THR A 62 0.811 0.485 -8.605 1.00 1.00 C ATOM 0 H THR A 62 1.688 3.288 -5.889 1.00 1.00 H new ATOM 0 HA THR A 62 -0.908 2.241 -6.911 1.00 1.00 H new ATOM 0 HB THR A 62 1.788 2.364 -8.215 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.282 2.906 -9.862 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.248 0.395 -9.600 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.413 -0.078 -7.892 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.204 0.087 -8.617 1.00 1.00 H new ATOM 948 N ILE A 63 -0.649 0.220 -5.639 1.00 1.00 N ATOM 949 CA ILE A 63 -0.570 -0.936 -4.761 1.00 1.00 C ATOM 950 C ILE A 63 -0.491 -2.208 -5.608 1.00 1.00 C ATOM 951 O ILE A 63 -0.968 -2.234 -6.741 1.00 1.00 O ATOM 952 CB ILE A 63 -1.729 -0.931 -3.763 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.216 -1.053 -2.327 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.749 -2.020 -4.102 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.146 0.319 -1.652 1.00 1.00 C ATOM 0 H ILE A 63 -1.567 0.378 -6.055 1.00 1.00 H new ATOM 0 HA ILE A 63 0.337 -0.897 -4.158 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.243 0.027 -3.841 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.873 -1.710 -1.757 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.228 -1.513 -2.328 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.563 -1.995 -3.377 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.148 -1.847 -5.101 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.264 -2.996 -4.069 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.778 0.204 -0.632 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.470 0.965 -2.211 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.140 0.765 -1.631 1.00 1.00 H new ATOM 967 N THR A 64 0.113 -3.232 -5.024 1.00 1.00 N ATOM 968 CA THR A 64 0.260 -4.504 -5.710 1.00 1.00 C ATOM 969 C THR A 64 0.015 -5.664 -4.743 1.00 1.00 C ATOM 970 O THR A 64 0.297 -5.552 -3.550 1.00 1.00 O ATOM 971 CB THR A 64 1.646 -4.536 -6.358 1.00 1.00 C ATOM 972 OG1 THR A 64 1.883 -3.182 -6.736 1.00 1.00 O ATOM 973 CG2 THR A 64 1.657 -5.300 -7.683 1.00 1.00 C ATOM 0 H THR A 64 0.506 -3.207 -4.083 1.00 1.00 H new ATOM 0 HA THR A 64 -0.485 -4.616 -6.498 1.00 1.00 H new ATOM 0 HB THR A 64 2.357 -4.994 -5.670 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.762 -3.111 -7.163 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.664 -5.292 -8.099 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.344 -6.330 -7.512 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.971 -4.824 -8.383 1.00 1.00 H new ATOM 981 N VAL A 65 -0.507 -6.751 -5.292 1.00 1.00 N ATOM 982 CA VAL A 65 -0.793 -7.930 -4.492 1.00 1.00 C ATOM 983 C VAL A 65 -0.472 -9.184 -5.307 1.00 1.00 C ATOM 984 O VAL A 65 -1.139 -9.471 -6.300 1.00 1.00 O ATOM 985 CB VAL A 65 -2.241 -7.890 -4.001 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.212 -8.253 -5.126 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.436 -8.807 -2.792 1.00 1.00 C ATOM 0 H VAL A 65 -0.739 -6.840 -6.281 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.163 -7.951 -3.603 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.459 -6.870 -3.686 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.234 -8.217 -4.750 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.101 -7.543 -5.945 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -2.993 -9.258 -5.485 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.474 -8.760 -2.463 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.190 -9.832 -3.069 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.783 -8.484 -1.981 1.00 1.00 H new ATOM 997 N ASP A 66 0.549 -9.898 -4.857 1.00 1.00 N ATOM 998 CA ASP A 66 0.967 -11.115 -5.533 1.00 1.00 C ATOM 999 C ASP A 66 1.092 -12.244 -4.508 1.00 1.00 C ATOM 1000 O ASP A 66 1.850 -12.134 -3.546 1.00 1.00 O ATOM 1001 CB ASP A 66 2.330 -10.932 -6.204 1.00 1.00 C ATOM 1002 CG ASP A 66 2.899 -9.514 -6.136 1.00 1.00 C ATOM 1003 OD1 ASP A 66 2.107 -8.573 -6.359 1.00 1.00 O ATOM 1004 OD2 ASP A 66 4.114 -9.403 -5.864 1.00 1.00 O ATOM 0 H ASP A 66 1.099 -9.657 -4.033 1.00 1.00 H new ATOM 0 HA ASP A 66 0.221 -11.353 -6.291 1.00 1.00 H new ATOM 0 HB2 ASP A 66 3.041 -11.615 -5.740 1.00 1.00 H new ATOM 0 HB3 ASP A 66 2.245 -11.223 -7.251 1.00 1.00 H new ATOM 1009 N GLY A 67 0.335 -13.305 -4.749 1.00 1.00 N ATOM 1010 CA GLY A 67 0.351 -14.454 -3.860 1.00 1.00 C ATOM 1011 C GLY A 67 -1.043 -15.070 -3.735 1.00 1.00 C ATOM 1012 O GLY A 67 -1.698 -15.341 -4.740 1.00 1.00 O ATOM 0 H GLY A 67 -0.293 -13.393 -5.548 1.00 1.00 H new ATOM 0 HA2 GLY A 67 1.050 -15.201 -4.237 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.708 -14.152 -2.876 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.457 -15.274 -2.493 1.00 1.00 N ATOM 1017 CA ALA A 68 -2.761 -15.854 -2.224 1.00 1.00 C ATOM 1018 C ALA A 68 -3.752 -14.736 -1.890 1.00 1.00 C ATOM 1019 O ALA A 68 -4.661 -14.455 -2.669 1.00 1.00 O ATOM 1020 CB ALA A 68 -2.641 -16.882 -1.097 1.00 1.00 C ATOM 0 H ALA A 68 -0.911 -15.048 -1.661 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.137 -16.377 -3.103 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -3.620 -17.317 -0.896 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -1.948 -17.669 -1.395 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.269 -16.393 -0.197 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.542 -14.130 -0.730 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.405 -13.050 -0.284 1.00 1.00 C ATOM 1028 C ASP A 69 -4.794 -12.184 -1.484 1.00 1.00 C ATOM 1029 O ASP A 69 -5.874 -11.594 -1.505 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.690 -12.157 0.731 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.088 -12.388 2.190 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.986 -13.554 2.628 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.485 -11.393 2.835 1.00 1.00 O ATOM 0 H ASP A 69 -2.787 -14.367 -0.086 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.285 -13.493 0.182 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.615 -12.312 0.635 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.886 -11.115 0.477 1.00 1.00 H new ATOM 1038 N GLU A 70 -3.894 -12.136 -2.455 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.130 -11.352 -3.655 1.00 1.00 C ATOM 1040 C GLU A 70 -5.390 -10.500 -3.494 1.00 1.00 C ATOM 1041 O GLU A 70 -5.310 -9.332 -3.118 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.231 -12.254 -4.887 1.00 1.00 C ATOM 1043 CG GLU A 70 -3.073 -13.252 -4.933 1.00 1.00 C ATOM 1044 CD GLU A 70 -3.152 -14.127 -6.187 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -4.254 -14.660 -6.438 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -2.108 -14.242 -6.865 1.00 1.00 O ATOM 0 H GLU A 70 -3.000 -12.627 -2.435 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.281 -10.684 -3.802 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.179 -12.792 -4.871 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.226 -11.644 -5.790 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.125 -12.715 -4.919 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.096 -13.882 -4.044 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.525 -11.118 -3.788 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.800 -10.430 -3.680 1.00 1.00 C ATOM 1055 C ALA A 71 -7.945 -9.850 -2.272 1.00 1.00 C ATOM 1056 O ALA A 71 -7.895 -8.635 -2.089 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.933 -11.397 -4.032 1.00 1.00 C ATOM 0 H ALA A 71 -6.588 -12.087 -4.101 1.00 1.00 H new ATOM 0 HA ALA A 71 -7.849 -9.600 -4.384 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.890 -10.881 -3.951 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.800 -11.757 -5.052 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.917 -12.242 -3.344 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.121 -10.747 -1.312 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.274 -10.340 0.074 1.00 1.00 C ATOM 1065 C GLU A 72 -7.241 -9.267 0.429 1.00 1.00 C ATOM 1066 O GLU A 72 -7.591 -8.220 0.971 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.161 -11.542 1.014 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.433 -11.161 2.305 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.229 -10.124 3.099 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -9.096 -9.475 2.474 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.954 -10.003 4.312 1.00 1.00 O ATOM 0 H GLU A 72 -8.161 -11.754 -1.467 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.270 -9.914 0.200 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -9.156 -11.918 1.251 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -7.626 -12.350 0.515 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.278 -12.051 2.915 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -6.447 -10.763 2.066 1.00 1.00 H new ATOM 1078 N GLY A 73 -5.991 -9.566 0.109 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.906 -8.641 0.387 1.00 1.00 C ATOM 1080 C GLY A 73 -5.243 -7.234 -0.113 1.00 1.00 C ATOM 1081 O GLY A 73 -5.635 -6.371 0.670 1.00 1.00 O ATOM 0 H GLY A 73 -5.705 -10.436 -0.340 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.713 -8.613 1.459 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -3.992 -8.992 -0.092 1.00 1.00 H new ATOM 1085 N MET A 74 -5.078 -7.048 -1.414 1.00 1.00 N ATOM 1086 CA MET A 74 -5.360 -5.761 -2.028 1.00 1.00 C ATOM 1087 C MET A 74 -6.757 -5.268 -1.648 1.00 1.00 C ATOM 1088 O MET A 74 -6.977 -4.066 -1.505 1.00 1.00 O ATOM 1089 CB MET A 74 -5.258 -5.888 -3.549 1.00 1.00 C ATOM 1090 CG MET A 74 -5.993 -7.135 -4.046 1.00 1.00 C ATOM 1091 SD MET A 74 -7.199 -6.681 -5.281 1.00 1.00 S ATOM 1092 CE MET A 74 -8.640 -6.478 -4.248 1.00 1.00 C ATOM 0 H MET A 74 -4.753 -7.767 -2.060 1.00 1.00 H new ATOM 0 HA MET A 74 -4.629 -5.038 -1.666 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.680 -5.001 -4.021 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.210 -5.938 -3.844 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.280 -7.844 -4.466 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.485 -7.634 -3.211 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.536 -6.475 -4.869 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.696 -7.301 -3.536 1.00 1.00 H new ATOM 0 HE3 MET A 74 -8.570 -5.534 -3.707 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.666 -6.220 -1.497 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.036 -5.897 -1.137 1.00 1.00 C ATOM 1104 C ALA A 75 -9.033 -4.897 0.020 1.00 1.00 C ATOM 1105 O ALA A 75 -9.522 -3.777 -0.121 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.791 -7.183 -0.794 1.00 1.00 C ATOM 0 H ALA A 75 -7.480 -7.216 -1.618 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.552 -5.429 -1.975 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.819 -6.940 -0.524 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.790 -7.847 -1.658 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.303 -7.679 0.045 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.475 -5.336 1.139 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.401 -4.493 2.320 1.00 1.00 C ATOM 1114 C ALA A 76 -7.740 -3.163 1.951 1.00 1.00 C ATOM 1115 O ALA A 76 -8.310 -2.098 2.183 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.647 -5.232 3.428 1.00 1.00 C ATOM 0 H ALA A 76 -8.070 -6.265 1.252 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.399 -4.271 2.697 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.591 -4.600 4.314 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.173 -6.155 3.673 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.639 -5.468 3.087 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.548 -3.269 1.384 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.804 -2.088 0.981 1.00 1.00 C ATOM 1124 C ILE A 77 -6.735 -1.135 0.229 1.00 1.00 C ATOM 1125 O ILE A 77 -6.871 0.029 0.602 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.557 -2.484 0.187 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.299 -2.379 1.052 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.441 -1.661 -1.097 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.259 -1.045 1.801 1.00 1.00 C ATOM 0 H ILE A 77 -6.079 -4.154 1.194 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.439 -1.552 1.857 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.657 -3.528 -0.108 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.275 -3.202 1.766 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.413 -2.475 0.425 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.547 -1.962 -1.643 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.320 -1.831 -1.719 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.374 -0.602 -0.846 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.355 -0.996 2.408 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.259 -0.225 1.083 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.134 -0.963 2.446 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.353 -1.665 -0.816 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.267 -0.877 -1.624 1.00 1.00 C ATOM 1143 C VAL A 78 -9.291 -0.197 -0.712 1.00 1.00 C ATOM 1144 O VAL A 78 -9.357 1.030 -0.654 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.914 -1.759 -2.694 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.579 -0.908 -3.778 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.891 -2.721 -3.303 1.00 1.00 C ATOM 0 H VAL A 78 -7.238 -2.631 -1.122 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.728 -0.090 -2.152 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.690 -2.355 -2.213 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -10.031 -1.560 -4.526 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.350 -0.283 -3.328 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.830 -0.275 -4.254 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.376 -3.336 -4.061 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -7.083 -2.151 -3.762 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.484 -3.362 -2.521 1.00 1.00 H new ATOM 1157 N GLU A 79 -10.063 -1.024 -0.023 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.079 -0.518 0.884 1.00 1.00 C ATOM 1159 C GLU A 79 -10.464 0.476 1.870 1.00 1.00 C ATOM 1160 O GLU A 79 -11.092 1.470 2.229 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.775 -1.664 1.622 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.179 -1.903 1.065 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.245 -1.631 2.128 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.133 -0.574 2.786 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.148 -2.486 2.258 1.00 1.00 O ATOM 0 H GLU A 79 -10.005 -2.041 -0.075 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.834 0.004 0.297 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.183 -2.574 1.528 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.836 -1.432 2.685 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.347 -1.257 0.203 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.265 -2.931 0.714 1.00 1.00 H new ATOM 1172 N THR A 80 -9.241 0.173 2.282 1.00 1.00 N ATOM 1173 CA THR A 80 -8.534 1.027 3.220 1.00 1.00 C ATOM 1174 C THR A 80 -8.139 2.344 2.548 1.00 1.00 C ATOM 1175 O THR A 80 -8.480 3.421 3.036 1.00 1.00 O ATOM 1176 CB THR A 80 -7.339 0.243 3.766 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.648 0.057 5.145 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.052 1.069 3.780 1.00 1.00 C ATOM 0 H THR A 80 -8.722 -0.653 1.983 1.00 1.00 H new ATOM 0 HA THR A 80 -9.171 1.304 4.060 1.00 1.00 H new ATOM 0 HB THR A 80 -7.187 -0.653 3.164 1.00 1.00 H new ATOM 0 HG1 THR A 80 -6.926 -0.445 5.577 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.236 0.465 4.177 1.00 1.00 H new ATOM 0 HG22 THR A 80 -5.810 1.383 2.765 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.191 1.948 4.409 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.426 2.216 1.439 1.00 1.00 N ATOM 1187 CA LEU A 81 -6.981 3.382 0.696 1.00 1.00 C ATOM 1188 C LEU A 81 -8.091 4.436 0.698 1.00 1.00 C ATOM 1189 O LEU A 81 -7.824 5.623 0.880 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.518 2.980 -0.706 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.107 2.397 -0.804 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.163 3.363 -1.522 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.580 2.000 0.576 1.00 1.00 C ATOM 0 H LEU A 81 -7.145 1.322 1.037 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.112 3.831 1.177 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.221 2.248 -1.103 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.573 3.857 -1.351 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.154 1.488 -1.404 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.167 2.924 -1.578 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.533 3.552 -2.530 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.115 4.302 -0.971 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.575 1.589 0.477 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.551 2.878 1.221 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.238 1.250 1.015 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.312 3.964 0.493 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.462 4.851 0.470 1.00 1.00 C ATOM 1207 C GLN A 82 -11.131 4.890 1.845 1.00 1.00 C ATOM 1208 O GLN A 82 -11.907 5.799 2.137 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.458 4.428 -0.612 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.635 2.908 -0.631 1.00 1.00 C ATOM 1211 CD GLN A 82 -13.066 2.528 -1.017 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -14.037 3.066 -0.512 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -13.141 1.572 -1.939 1.00 1.00 N ATOM 0 H GLN A 82 -9.530 2.979 0.341 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.116 5.856 0.228 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.420 4.907 -0.433 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.108 4.769 -1.586 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.934 2.465 -1.339 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -11.398 2.498 0.351 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -12.288 1.164 -2.321 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -14.052 1.247 -2.264 1.00 1.00 H new ATOM 1222 N LYS A 83 -10.807 3.892 2.654 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.367 3.800 3.991 1.00 1.00 C ATOM 1224 C LYS A 83 -10.708 4.851 4.888 1.00 1.00 C ATOM 1225 O LYS A 83 -11.342 5.377 5.802 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.246 2.372 4.527 1.00 1.00 C ATOM 1227 CG LYS A 83 -10.439 2.340 5.826 1.00 1.00 C ATOM 1228 CD LYS A 83 -10.519 0.963 6.488 1.00 1.00 C ATOM 1229 CE LYS A 83 -10.699 -0.139 5.441 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.035 -1.424 6.094 1.00 1.00 N ATOM 0 H LYS A 83 -10.163 3.140 2.409 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.435 4.019 3.972 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.240 1.960 4.702 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -10.766 1.739 3.781 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -9.398 2.587 5.618 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.816 3.099 6.511 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -9.612 0.779 7.063 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.352 0.941 7.191 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -11.489 0.139 4.744 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -9.784 -0.248 4.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.154 -2.161 5.370 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.268 -1.695 6.742 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -11.920 -1.320 6.630 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.446 5.125 4.595 1.00 1.00 N ATOM 1245 CA GLU A 84 -8.695 6.103 5.363 1.00 1.00 C ATOM 1246 C GLU A 84 -8.694 7.454 4.646 1.00 1.00 C ATOM 1247 O GLU A 84 -7.991 8.377 5.054 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.267 5.618 5.622 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.043 4.227 5.024 1.00 1.00 C ATOM 1250 CD GLU A 84 -6.365 4.321 3.656 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -6.826 5.157 2.850 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -5.401 3.553 3.447 1.00 1.00 O ATOM 0 H GLU A 84 -8.924 4.687 3.836 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.182 6.228 6.330 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -6.556 6.322 5.190 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.077 5.591 6.695 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -6.428 3.632 5.699 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.998 3.711 4.926 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.489 7.528 3.589 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.589 8.751 2.811 1.00 1.00 C ATOM 1261 C GLY A 85 -8.230 9.141 2.227 1.00 1.00 C ATOM 1262 O GLY A 85 -8.087 10.214 1.642 1.00 1.00 O ATOM 0 H GLY A 85 -10.070 6.760 3.253 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.310 8.616 2.005 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.963 9.558 3.441 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.267 8.249 2.405 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.924 8.487 1.903 1.00 1.00 C ATOM 1268 C LEU A 86 -5.930 8.387 0.376 1.00 1.00 C ATOM 1269 O LEU A 86 -5.581 9.343 -0.314 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.925 7.545 2.577 1.00 1.00 C ATOM 1271 CG LEU A 86 -3.549 8.137 2.888 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.580 8.944 4.187 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -2.476 7.046 2.916 1.00 1.00 C ATOM 0 H LEU A 86 -7.390 7.360 2.890 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.596 9.495 2.156 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.364 7.188 3.509 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.787 6.674 1.936 1.00 1.00 H new ATOM 0 HG LEU A 86 -3.285 8.827 2.087 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.589 9.354 4.385 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.297 9.759 4.092 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -3.875 8.295 5.012 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -1.508 7.494 3.139 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.722 6.313 3.684 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -2.433 6.553 1.945 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.331 7.220 -0.107 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.387 6.982 -1.539 1.00 1.00 C ATOM 1287 C ALA A 87 -7.839 6.740 -1.955 1.00 1.00 C ATOM 1288 O ALA A 87 -8.698 6.492 -1.110 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.475 5.808 -1.898 1.00 1.00 C ATOM 0 H ALA A 87 -6.620 6.429 0.468 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.028 7.853 -2.087 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.517 5.630 -2.972 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.450 6.042 -1.609 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.806 4.915 -1.369 1.00 1.00 H new ATOM 1295 N GLU A 88 -8.070 6.822 -3.257 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.403 6.615 -3.796 1.00 1.00 C ATOM 1297 C GLU A 88 -9.878 5.190 -3.505 1.00 1.00 C ATOM 1298 O GLU A 88 -9.261 4.476 -2.717 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.441 6.910 -5.297 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.919 8.318 -5.592 1.00 1.00 C ATOM 1301 CD GLU A 88 -9.071 8.658 -7.076 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -8.823 7.748 -7.896 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -9.431 9.822 -7.357 1.00 1.00 O ATOM 0 H GLU A 88 -7.356 7.029 -3.955 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.083 7.311 -3.306 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -8.838 6.175 -5.831 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -10.462 6.812 -5.665 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -9.464 9.045 -4.991 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.870 8.389 -5.304 1.00 1.00 H new