USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 Single : A 1 GLY N :NH3+ 127:sc= 0.05 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.155 USER MOD Single : A 3 SER OG : rot 23:sc= 0.265 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -2.66! C(o=-5.3!,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -179:sc= -0.0477 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 40:sc= -1.78 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.132 (180deg=-0.756) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.74! USER MOD Single : A 78 ASN :FLIP amide:sc= -0.733 F(o=-1.6,f=-0.73) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 172:sc= -3.04! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0745 USER MOD Single : A 92 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.6!) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -0.252 (180deg=-1.28!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.681 4.033 9.263 1.00 0.00 N ATOM 2 CA GLY A 1 -19.184 3.798 10.608 1.00 0.00 C ATOM 3 C GLY A 1 -18.258 2.580 10.646 1.00 0.00 C ATOM 4 O GLY A 1 -18.388 1.672 9.827 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.719 4.093 9.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.289 4.925 8.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.391 3.249 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.647 4.679 10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.022 3.643 11.287 1.00 0.00 H new ATOM 8 N SER A 2 -17.345 2.601 11.605 1.00 0.00 N ATOM 9 CA SER A 2 -16.398 1.510 11.761 1.00 0.00 C ATOM 10 C SER A 2 -15.512 1.756 12.984 1.00 0.00 C ATOM 11 O SER A 2 -14.787 2.748 13.040 1.00 0.00 O ATOM 12 CB SER A 2 -15.538 1.344 10.507 1.00 0.00 C ATOM 13 OG SER A 2 -14.957 2.577 10.091 1.00 0.00 O ATOM 0 H SER A 2 -17.241 3.356 12.282 1.00 0.00 H new ATOM 0 HA SER A 2 -16.960 0.588 11.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.748 0.619 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.149 0.940 9.699 1.00 0.00 H new ATOM 0 HG SER A 2 -14.672 3.087 10.878 1.00 0.00 H new ATOM 19 N SER A 3 -15.599 0.835 13.933 1.00 0.00 N ATOM 20 CA SER A 3 -14.814 0.940 15.151 1.00 0.00 C ATOM 21 C SER A 3 -15.031 -0.300 16.021 1.00 0.00 C ATOM 22 O SER A 3 -16.166 -0.633 16.360 1.00 0.00 O ATOM 23 CB SER A 3 -15.174 2.206 15.931 1.00 0.00 C ATOM 24 OG SER A 3 -16.497 2.151 16.457 1.00 0.00 O ATOM 0 H SER A 3 -16.201 0.013 13.883 1.00 0.00 H new ATOM 0 HA SER A 3 -13.761 1.003 14.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.465 2.343 16.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.079 3.073 15.278 1.00 0.00 H new ATOM 0 HG SER A 3 -16.776 1.216 16.543 1.00 0.00 H new ATOM 30 N GLY A 4 -13.926 -0.948 16.358 1.00 0.00 N ATOM 31 CA GLY A 4 -13.982 -2.143 17.183 1.00 0.00 C ATOM 32 C GLY A 4 -13.326 -3.330 16.473 1.00 0.00 C ATOM 33 O GLY A 4 -13.886 -3.877 15.525 1.00 0.00 O ATOM 0 H GLY A 4 -12.987 -0.668 16.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.478 -1.958 18.132 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.020 -2.381 17.414 1.00 0.00 H new ATOM 37 N SER A 5 -12.149 -3.692 16.960 1.00 0.00 N ATOM 38 CA SER A 5 -11.411 -4.804 16.384 1.00 0.00 C ATOM 39 C SER A 5 -11.238 -5.912 17.425 1.00 0.00 C ATOM 40 O SER A 5 -11.278 -5.652 18.627 1.00 0.00 O ATOM 41 CB SER A 5 -10.047 -4.348 15.862 1.00 0.00 C ATOM 42 OG SER A 5 -10.096 -3.986 14.485 1.00 0.00 O ATOM 0 H SER A 5 -11.688 -3.236 17.747 1.00 0.00 H new ATOM 0 HA SER A 5 -11.981 -5.193 15.540 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.701 -3.497 16.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.320 -5.148 16.001 1.00 0.00 H new ATOM 0 HG SER A 5 -9.206 -3.699 14.190 1.00 0.00 H new ATOM 48 N SER A 6 -11.049 -7.125 16.926 1.00 0.00 N ATOM 49 CA SER A 6 -10.870 -8.274 17.797 1.00 0.00 C ATOM 50 C SER A 6 -9.757 -7.994 18.809 1.00 0.00 C ATOM 51 O SER A 6 -10.024 -7.805 19.995 1.00 0.00 O ATOM 52 CB SER A 6 -10.549 -9.533 16.989 1.00 0.00 C ATOM 53 OG SER A 6 -10.631 -10.712 17.785 1.00 0.00 O ATOM 0 H SER A 6 -11.016 -7.337 15.929 1.00 0.00 H new ATOM 0 HA SER A 6 -11.804 -8.447 18.332 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.241 -9.612 16.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.547 -9.448 16.568 1.00 0.00 H new ATOM 0 HG SER A 6 -10.421 -11.494 17.233 1.00 0.00 H new ATOM 59 N GLY A 7 -8.532 -7.977 18.304 1.00 0.00 N ATOM 60 CA GLY A 7 -7.378 -7.724 19.149 1.00 0.00 C ATOM 61 C GLY A 7 -6.204 -8.624 18.757 1.00 0.00 C ATOM 62 O GLY A 7 -6.382 -9.820 18.533 1.00 0.00 O ATOM 0 H GLY A 7 -8.314 -8.134 17.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.083 -6.678 19.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.642 -7.898 20.192 1.00 0.00 H new ATOM 66 N PHE A 8 -5.030 -8.014 18.686 1.00 0.00 N ATOM 67 CA PHE A 8 -3.827 -8.745 18.326 1.00 0.00 C ATOM 68 C PHE A 8 -3.384 -9.667 19.464 1.00 0.00 C ATOM 69 O PHE A 8 -3.514 -9.318 20.636 1.00 0.00 O ATOM 70 CB PHE A 8 -2.733 -7.707 18.070 1.00 0.00 C ATOM 71 CG PHE A 8 -2.047 -7.199 19.340 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.082 -7.948 19.938 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.404 -6.000 19.872 1.00 0.00 C ATOM 74 CE1 PHE A 8 -0.446 -7.477 21.117 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.768 -5.528 21.051 1.00 0.00 C ATOM 76 CZ PHE A 8 -0.803 -6.277 21.649 1.00 0.00 C ATOM 0 H PHE A 8 -4.886 -7.021 18.872 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.015 -9.362 17.448 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.981 -8.142 17.412 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.168 -6.859 17.540 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.799 -8.901 19.516 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.171 -5.406 19.398 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.321 -8.071 21.591 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.051 -4.575 21.473 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.320 -5.919 22.546 1.00 0.00 H new ATOM 86 N PHE A 9 -2.869 -10.825 19.078 1.00 0.00 N ATOM 87 CA PHE A 9 -2.406 -11.799 20.052 1.00 0.00 C ATOM 88 C PHE A 9 -0.897 -12.021 19.930 1.00 0.00 C ATOM 89 O PHE A 9 -0.398 -12.342 18.852 1.00 0.00 O ATOM 90 CB PHE A 9 -3.129 -13.113 19.748 1.00 0.00 C ATOM 91 CG PHE A 9 -3.540 -13.899 20.995 1.00 0.00 C ATOM 92 CD1 PHE A 9 -4.219 -13.279 21.997 1.00 0.00 C ATOM 93 CD2 PHE A 9 -3.227 -15.219 21.101 1.00 0.00 C ATOM 94 CE1 PHE A 9 -4.601 -14.009 23.154 1.00 0.00 C ATOM 95 CE2 PHE A 9 -3.609 -15.948 22.258 1.00 0.00 C ATOM 96 CZ PHE A 9 -4.288 -15.328 23.260 1.00 0.00 C ATOM 0 H PHE A 9 -2.762 -11.111 18.105 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.614 -11.444 21.061 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.019 -12.898 19.157 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.482 -13.739 19.134 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.468 -12.231 21.913 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.688 -15.712 20.305 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.140 -13.516 23.950 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.360 -16.996 22.342 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.579 -15.883 24.140 1.00 0.00 H new ATOM 106 N LYS A 10 -0.213 -11.842 21.050 1.00 0.00 N ATOM 107 CA LYS A 10 1.229 -12.019 21.082 1.00 0.00 C ATOM 108 C LYS A 10 1.839 -11.432 19.807 1.00 0.00 C ATOM 109 O LYS A 10 1.222 -10.599 19.146 1.00 0.00 O ATOM 110 CB LYS A 10 1.584 -13.489 21.313 1.00 0.00 C ATOM 111 CG LYS A 10 1.316 -14.322 20.058 1.00 0.00 C ATOM 112 CD LYS A 10 2.373 -15.414 19.889 1.00 0.00 C ATOM 113 CE LYS A 10 2.093 -16.597 20.818 1.00 0.00 C ATOM 114 NZ LYS A 10 3.255 -17.513 20.856 1.00 0.00 N ATOM 0 H LYS A 10 -0.630 -11.576 21.942 1.00 0.00 H new ATOM 0 HA LYS A 10 1.661 -11.475 21.922 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.634 -13.574 21.592 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.000 -13.881 22.146 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.327 -14.775 20.122 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.313 -13.675 19.181 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.386 -15.755 18.854 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.361 -15.005 20.102 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.875 -16.234 21.823 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.209 -17.135 20.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.048 -18.310 21.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.445 -17.873 19.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.090 -17.000 21.205 1.00 0.00 H new ATOM 128 N GLY A 11 3.044 -11.890 19.501 1.00 0.00 N ATOM 129 CA GLY A 11 3.745 -11.421 18.318 1.00 0.00 C ATOM 130 C GLY A 11 3.863 -9.896 18.319 1.00 0.00 C ATOM 131 O GLY A 11 4.685 -9.334 19.041 1.00 0.00 O ATOM 0 H GLY A 11 3.553 -12.581 20.052 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.739 -11.866 18.280 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.215 -11.748 17.423 1.00 0.00 H new ATOM 135 N ALA A 12 3.029 -9.269 17.502 1.00 0.00 N ATOM 136 CA ALA A 12 3.030 -7.819 17.400 1.00 0.00 C ATOM 137 C ALA A 12 1.736 -7.359 16.726 1.00 0.00 C ATOM 138 O ALA A 12 1.160 -8.086 15.918 1.00 0.00 O ATOM 139 CB ALA A 12 4.277 -7.362 16.641 1.00 0.00 C ATOM 0 H ALA A 12 2.348 -9.738 16.905 1.00 0.00 H new ATOM 0 HA ALA A 12 3.066 -7.364 18.390 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.278 -6.275 16.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.169 -7.689 17.176 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.274 -7.796 15.641 1.00 0.00 H new ATOM 145 N ALA A 13 1.316 -6.154 17.084 1.00 0.00 N ATOM 146 CA ALA A 13 0.101 -5.589 16.524 1.00 0.00 C ATOM 147 C ALA A 13 0.178 -5.636 14.996 1.00 0.00 C ATOM 148 O ALA A 13 1.254 -5.827 14.431 1.00 0.00 O ATOM 149 CB ALA A 13 -0.092 -4.167 17.054 1.00 0.00 C ATOM 0 H ALA A 13 1.796 -5.554 17.755 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.769 -6.172 16.828 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.004 -3.743 16.634 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.170 -4.191 18.141 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.761 -3.552 16.765 1.00 0.00 H new ATOM 155 N SER A 14 -0.977 -5.458 14.371 1.00 0.00 N ATOM 156 CA SER A 14 -1.053 -5.477 12.920 1.00 0.00 C ATOM 157 C SER A 14 -1.906 -4.307 12.425 1.00 0.00 C ATOM 158 O SER A 14 -1.420 -3.447 11.692 1.00 0.00 O ATOM 159 CB SER A 14 -1.628 -6.803 12.417 1.00 0.00 C ATOM 160 OG SER A 14 -0.605 -7.706 12.006 1.00 0.00 O ATOM 0 H SER A 14 -1.867 -5.300 14.843 1.00 0.00 H new ATOM 0 HA SER A 14 -0.043 -5.375 12.523 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.222 -7.263 13.206 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.301 -6.613 11.581 1.00 0.00 H new ATOM 0 HG SER A 14 -1.012 -8.541 11.693 1.00 0.00 H new ATOM 166 N SER A 15 -3.162 -4.313 12.846 1.00 0.00 N ATOM 167 CA SER A 15 -4.087 -3.262 12.455 1.00 0.00 C ATOM 168 C SER A 15 -4.251 -3.250 10.934 1.00 0.00 C ATOM 169 O SER A 15 -3.275 -3.094 10.202 1.00 0.00 O ATOM 170 CB SER A 15 -3.608 -1.895 12.948 1.00 0.00 C ATOM 171 OG SER A 15 -3.575 -1.823 14.371 1.00 0.00 O ATOM 0 H SER A 15 -3.561 -5.028 13.454 1.00 0.00 H new ATOM 0 HA SER A 15 -5.053 -3.466 12.917 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.613 -1.695 12.552 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.267 -1.118 12.561 1.00 0.00 H new ATOM 0 HG SER A 15 -3.263 -0.936 14.647 1.00 0.00 H new ATOM 177 N VAL A 16 -5.493 -3.416 10.503 1.00 0.00 N ATOM 178 CA VAL A 16 -5.797 -3.426 9.082 1.00 0.00 C ATOM 179 C VAL A 16 -6.984 -2.499 8.813 1.00 0.00 C ATOM 180 O VAL A 16 -7.840 -2.314 9.677 1.00 0.00 O ATOM 181 CB VAL A 16 -6.040 -4.860 8.609 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.999 -5.593 9.549 1.00 0.00 C ATOM 183 CG2 VAL A 16 -6.559 -4.882 7.170 1.00 0.00 C ATOM 0 H VAL A 16 -6.300 -3.545 11.113 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.951 -3.047 8.508 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.085 -5.385 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.154 -6.610 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.573 -5.624 10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.954 -5.068 9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.724 -5.913 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.498 -4.332 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.826 -4.417 6.512 1.00 0.00 H new ATOM 193 N LEU A 17 -6.998 -1.940 7.612 1.00 0.00 N ATOM 194 CA LEU A 17 -8.065 -1.037 7.218 1.00 0.00 C ATOM 195 C LEU A 17 -9.057 -1.785 6.325 1.00 0.00 C ATOM 196 O LEU A 17 -8.661 -2.627 5.520 1.00 0.00 O ATOM 197 CB LEU A 17 -7.489 0.225 6.573 1.00 0.00 C ATOM 198 CG LEU A 17 -6.722 1.164 7.506 1.00 0.00 C ATOM 199 CD1 LEU A 17 -5.864 2.149 6.709 1.00 0.00 C ATOM 200 CD2 LEU A 17 -7.673 1.881 8.467 1.00 0.00 C ATOM 0 H LEU A 17 -6.286 -2.096 6.898 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.617 -0.696 8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.823 -0.076 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.308 0.784 6.120 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.044 0.563 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.329 2.805 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.146 1.598 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.504 2.747 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.102 2.542 9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.393 2.468 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.203 1.145 9.071 1.00 0.00 H new ATOM 212 N GLU A 18 -10.328 -1.452 6.498 1.00 0.00 N ATOM 213 CA GLU A 18 -11.380 -2.081 5.718 1.00 0.00 C ATOM 214 C GLU A 18 -11.566 -1.348 4.388 1.00 0.00 C ATOM 215 O GLU A 18 -11.970 -0.187 4.366 1.00 0.00 O ATOM 216 CB GLU A 18 -12.691 -2.131 6.504 1.00 0.00 C ATOM 217 CG GLU A 18 -12.589 -3.107 7.678 1.00 0.00 C ATOM 218 CD GLU A 18 -13.744 -2.905 8.661 1.00 0.00 C ATOM 219 OE1 GLU A 18 -14.806 -3.521 8.424 1.00 0.00 O ATOM 220 OE2 GLU A 18 -13.539 -2.139 9.627 1.00 0.00 O ATOM 0 H GLU A 18 -10.653 -0.754 7.167 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.083 -3.108 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.935 -1.135 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.504 -2.434 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.599 -4.131 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.639 -2.964 8.193 1.00 0.00 H new ATOM 227 N LEU A 19 -11.262 -2.057 3.310 1.00 0.00 N ATOM 228 CA LEU A 19 -11.390 -1.488 1.979 1.00 0.00 C ATOM 229 C LEU A 19 -12.871 -1.266 1.666 1.00 0.00 C ATOM 230 O LEU A 19 -13.736 -1.578 2.482 1.00 0.00 O ATOM 231 CB LEU A 19 -10.668 -2.361 0.951 1.00 0.00 C ATOM 232 CG LEU A 19 -9.139 -2.325 0.996 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.610 -0.962 0.547 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.622 -2.711 2.383 1.00 0.00 C ATOM 0 H LEU A 19 -10.927 -3.020 3.332 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.904 -0.514 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.992 -3.393 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.990 -2.056 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.759 -3.066 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.521 -0.963 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.934 -0.764 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.997 -0.186 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.533 -2.677 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.010 -2.011 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.955 -3.720 2.628 1.00 0.00 H new ATOM 246 N THR A 20 -13.118 -0.727 0.480 1.00 0.00 N ATOM 247 CA THR A 20 -14.479 -0.459 0.048 1.00 0.00 C ATOM 248 C THR A 20 -14.705 -0.996 -1.367 1.00 0.00 C ATOM 249 O THR A 20 -13.973 -1.871 -1.827 1.00 0.00 O ATOM 250 CB THR A 20 -14.728 1.045 0.175 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.793 1.629 -0.729 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.316 1.593 1.543 1.00 0.00 C ATOM 0 H THR A 20 -12.398 -0.469 -0.195 1.00 0.00 H new ATOM 0 HA THR A 20 -15.203 -0.977 0.677 1.00 0.00 H new ATOM 0 HB THR A 20 -15.784 1.254 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.887 2.604 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.514 2.664 1.580 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.888 1.091 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.252 1.414 1.701 1.00 0.00 H new ATOM 260 N GLU A 21 -15.721 -0.449 -2.017 1.00 0.00 N ATOM 261 CA GLU A 21 -16.052 -0.861 -3.370 1.00 0.00 C ATOM 262 C GLU A 21 -15.038 -0.289 -4.363 1.00 0.00 C ATOM 263 O GLU A 21 -14.637 -0.969 -5.306 1.00 0.00 O ATOM 264 CB GLU A 21 -17.477 -0.441 -3.738 1.00 0.00 C ATOM 265 CG GLU A 21 -18.166 -1.517 -4.579 1.00 0.00 C ATOM 266 CD GLU A 21 -19.177 -0.895 -5.545 1.00 0.00 C ATOM 267 OE1 GLU A 21 -20.340 -0.727 -5.119 1.00 0.00 O ATOM 268 OE2 GLU A 21 -18.763 -0.602 -6.687 1.00 0.00 O ATOM 0 H GLU A 21 -16.326 0.276 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.005 -1.949 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.052 -0.260 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.452 0.498 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.419 -2.078 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.672 -2.226 -3.924 1.00 0.00 H new ATOM 275 N ALA A 22 -14.654 0.954 -4.117 1.00 0.00 N ATOM 276 CA ALA A 22 -13.694 1.625 -4.977 1.00 0.00 C ATOM 277 C ALA A 22 -12.276 1.237 -4.553 1.00 0.00 C ATOM 278 O ALA A 22 -11.509 0.704 -5.353 1.00 0.00 O ATOM 279 CB ALA A 22 -13.927 3.137 -4.920 1.00 0.00 C ATOM 0 H ALA A 22 -14.990 1.515 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.824 1.314 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.207 3.641 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.938 3.362 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.802 3.486 -3.895 1.00 0.00 H new ATOM 285 N GLU A 23 -11.971 1.520 -3.295 1.00 0.00 N ATOM 286 CA GLU A 23 -10.659 1.207 -2.754 1.00 0.00 C ATOM 287 C GLU A 23 -10.222 -0.191 -3.197 1.00 0.00 C ATOM 288 O GLU A 23 -9.128 -0.363 -3.730 1.00 0.00 O ATOM 289 CB GLU A 23 -10.652 1.327 -1.229 1.00 0.00 C ATOM 290 CG GLU A 23 -10.118 2.691 -0.788 1.00 0.00 C ATOM 291 CD GLU A 23 -8.774 2.995 -1.455 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.835 2.203 -1.226 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.717 4.013 -2.179 1.00 0.00 O ATOM 0 H GLU A 23 -12.610 1.963 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.944 1.931 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.663 1.187 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.036 0.536 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.839 3.468 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.002 2.707 0.296 1.00 0.00 H new ATOM 300 N LEU A 24 -11.101 -1.153 -2.959 1.00 0.00 N ATOM 301 CA LEU A 24 -10.820 -2.531 -3.326 1.00 0.00 C ATOM 302 C LEU A 24 -10.171 -2.562 -4.711 1.00 0.00 C ATOM 303 O LEU A 24 -9.101 -3.144 -4.886 1.00 0.00 O ATOM 304 CB LEU A 24 -12.086 -3.383 -3.221 1.00 0.00 C ATOM 305 CG LEU A 24 -12.375 -3.988 -1.845 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.767 -4.622 -1.807 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.282 -4.979 -1.441 1.00 0.00 C ATOM 0 H LEU A 24 -12.008 -1.006 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.108 -2.973 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.938 -2.769 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.015 -4.195 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.367 -3.184 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.947 -5.045 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.519 -3.862 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.828 -5.412 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.512 -5.394 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.233 -5.785 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.321 -4.465 -1.402 1.00 0.00 H new ATOM 319 N VAL A 25 -10.845 -1.929 -5.660 1.00 0.00 N ATOM 320 CA VAL A 25 -10.348 -1.878 -7.024 1.00 0.00 C ATOM 321 C VAL A 25 -8.935 -1.291 -7.025 1.00 0.00 C ATOM 322 O VAL A 25 -8.033 -1.835 -7.660 1.00 0.00 O ATOM 323 CB VAL A 25 -11.321 -1.094 -7.907 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.808 -1.006 -9.345 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.721 -1.710 -7.860 1.00 0.00 C ATOM 0 H VAL A 25 -11.731 -1.447 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.284 -2.881 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.388 -0.080 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.518 -0.444 -9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.842 -0.501 -9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.697 -2.010 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.393 -1.134 -8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.678 -2.739 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.090 -1.696 -6.835 1.00 0.00 H new ATOM 335 N THR A 26 -8.786 -0.187 -6.306 1.00 0.00 N ATOM 336 CA THR A 26 -7.498 0.479 -6.216 1.00 0.00 C ATOM 337 C THR A 26 -6.453 -0.460 -5.612 1.00 0.00 C ATOM 338 O THR A 26 -5.338 -0.563 -6.120 1.00 0.00 O ATOM 339 CB THR A 26 -7.689 1.771 -5.419 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.283 2.670 -6.351 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.360 2.436 -5.054 1.00 0.00 C ATOM 0 H THR A 26 -9.536 0.262 -5.781 1.00 0.00 H new ATOM 0 HA THR A 26 -7.119 0.743 -7.203 1.00 0.00 H new ATOM 0 HB THR A 26 -8.249 1.556 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.443 3.534 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.553 3.348 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.766 1.753 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.814 2.681 -5.965 1.00 0.00 H new ATOM 349 N ALA A 27 -6.850 -1.120 -4.534 1.00 0.00 N ATOM 350 CA ALA A 27 -5.961 -2.047 -3.854 1.00 0.00 C ATOM 351 C ALA A 27 -5.477 -3.104 -4.848 1.00 0.00 C ATOM 352 O ALA A 27 -4.330 -3.544 -4.783 1.00 0.00 O ATOM 353 CB ALA A 27 -6.685 -2.663 -2.655 1.00 0.00 C ATOM 0 H ALA A 27 -7.775 -1.031 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.083 -1.526 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.018 -3.358 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.983 -1.874 -1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.571 -3.197 -3.000 1.00 0.00 H new ATOM 359 N GLU A 28 -6.375 -3.482 -5.746 1.00 0.00 N ATOM 360 CA GLU A 28 -6.054 -4.479 -6.753 1.00 0.00 C ATOM 361 C GLU A 28 -5.119 -3.886 -7.809 1.00 0.00 C ATOM 362 O GLU A 28 -4.222 -4.568 -8.302 1.00 0.00 O ATOM 363 CB GLU A 28 -7.325 -5.038 -7.397 1.00 0.00 C ATOM 364 CG GLU A 28 -7.868 -6.224 -6.598 1.00 0.00 C ATOM 365 CD GLU A 28 -7.703 -7.531 -7.377 1.00 0.00 C ATOM 366 OE1 GLU A 28 -8.639 -7.860 -8.138 1.00 0.00 O ATOM 367 OE2 GLU A 28 -6.644 -8.170 -7.195 1.00 0.00 O ATOM 0 H GLU A 28 -7.325 -3.115 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.540 -5.307 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.082 -4.256 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.112 -5.351 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.344 -6.296 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.922 -6.062 -6.371 1.00 0.00 H new ATOM 374 N ALA A 29 -5.361 -2.622 -8.124 1.00 0.00 N ATOM 375 CA ALA A 29 -4.552 -1.929 -9.112 1.00 0.00 C ATOM 376 C ALA A 29 -3.104 -1.862 -8.623 1.00 0.00 C ATOM 377 O ALA A 29 -2.175 -2.132 -9.382 1.00 0.00 O ATOM 378 CB ALA A 29 -5.144 -0.543 -9.375 1.00 0.00 C ATOM 0 H ALA A 29 -6.106 -2.060 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.555 -2.470 -10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.537 -0.023 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.163 -0.647 -9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.154 0.030 -8.448 1.00 0.00 H new ATOM 384 N VAL A 30 -2.957 -1.499 -7.357 1.00 0.00 N ATOM 385 CA VAL A 30 -1.638 -1.393 -6.757 1.00 0.00 C ATOM 386 C VAL A 30 -0.972 -2.771 -6.751 1.00 0.00 C ATOM 387 O VAL A 30 0.195 -2.902 -7.115 1.00 0.00 O ATOM 388 CB VAL A 30 -1.745 -0.775 -5.362 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.434 -0.935 -4.589 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.157 0.696 -5.444 1.00 0.00 C ATOM 0 H VAL A 30 -3.730 -1.275 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.004 -0.728 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.522 -1.311 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.537 -0.487 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.200 -1.994 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.371 -0.438 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.226 1.111 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.413 1.251 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.126 0.775 -5.936 1.00 0.00 H new ATOM 400 N ARG A 31 -1.744 -3.763 -6.334 1.00 0.00 N ATOM 401 CA ARG A 31 -1.244 -5.126 -6.275 1.00 0.00 C ATOM 402 C ARG A 31 -0.596 -5.511 -7.607 1.00 0.00 C ATOM 403 O ARG A 31 0.444 -6.168 -7.628 1.00 0.00 O ATOM 404 CB ARG A 31 -2.370 -6.113 -5.960 1.00 0.00 C ATOM 405 CG ARG A 31 -1.815 -7.518 -5.714 1.00 0.00 C ATOM 406 CD ARG A 31 -2.673 -8.276 -4.699 1.00 0.00 C ATOM 407 NE ARG A 31 -3.547 -9.244 -5.398 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.050 -10.348 -4.829 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.769 -10.631 -3.550 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.834 -11.170 -5.540 1.00 0.00 N ATOM 0 H ARG A 31 -2.712 -3.650 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.502 -5.173 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.919 -5.776 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.079 -6.138 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.783 -8.070 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.790 -7.449 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.033 -8.799 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.279 -7.574 -4.126 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.781 -9.059 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.172 -10.006 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.152 -11.472 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.048 -10.955 -6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.217 -12.010 -5.107 1.00 0.00 H new ATOM 424 N SER A 32 -1.237 -5.087 -8.685 1.00 0.00 N ATOM 425 CA SER A 32 -0.736 -5.379 -10.018 1.00 0.00 C ATOM 426 C SER A 32 0.647 -4.752 -10.206 1.00 0.00 C ATOM 427 O SER A 32 1.498 -5.314 -10.893 1.00 0.00 O ATOM 428 CB SER A 32 -1.699 -4.870 -11.092 1.00 0.00 C ATOM 429 OG SER A 32 -1.253 -5.194 -12.406 1.00 0.00 O ATOM 0 H SER A 32 -2.100 -4.543 -8.663 1.00 0.00 H new ATOM 0 HA SER A 32 -0.655 -6.461 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.686 -5.302 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.805 -3.789 -11.001 1.00 0.00 H new ATOM 0 HG SER A 32 -1.896 -4.853 -13.063 1.00 0.00 H new ATOM 435 N VAL A 33 0.828 -3.597 -9.582 1.00 0.00 N ATOM 436 CA VAL A 33 2.093 -2.889 -9.672 1.00 0.00 C ATOM 437 C VAL A 33 3.203 -3.759 -9.081 1.00 0.00 C ATOM 438 O VAL A 33 4.261 -3.920 -9.688 1.00 0.00 O ATOM 439 CB VAL A 33 1.978 -1.523 -8.992 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.271 -0.720 -9.150 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.778 -0.742 -9.531 1.00 0.00 C ATOM 0 H VAL A 33 0.120 -3.134 -9.012 1.00 0.00 H new ATOM 0 HA VAL A 33 2.350 -2.698 -10.714 1.00 0.00 H new ATOM 0 HB VAL A 33 1.817 -1.692 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.162 0.246 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.097 -1.267 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.477 -0.566 -10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.719 0.225 -9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.895 -0.589 -10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.137 -1.304 -9.342 1.00 0.00 H new ATOM 451 N TRP A 34 2.925 -4.298 -7.903 1.00 0.00 N ATOM 452 CA TRP A 34 3.887 -5.148 -7.222 1.00 0.00 C ATOM 453 C TRP A 34 4.217 -6.322 -8.147 1.00 0.00 C ATOM 454 O TRP A 34 5.375 -6.524 -8.510 1.00 0.00 O ATOM 455 CB TRP A 34 3.357 -5.593 -5.858 1.00 0.00 C ATOM 456 CG TRP A 34 3.411 -4.504 -4.784 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.160 -3.195 -4.923 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.749 -4.685 -3.393 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.311 -2.522 -3.728 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.680 -3.456 -2.768 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.100 -5.848 -2.685 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.950 -3.272 -1.407 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.367 -5.647 -1.326 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.302 -4.417 -0.682 1.00 0.00 C ATOM 0 H TRP A 34 2.047 -4.162 -7.402 1.00 0.00 H new ATOM 0 HA TRP A 34 4.806 -4.600 -7.012 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.325 -5.926 -5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.934 -6.453 -5.518 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.875 -2.726 -5.853 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.176 -1.522 -3.577 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.159 -6.820 -3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.890 -2.299 -0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.643 -6.508 -0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.522 -4.345 0.373 1.00 0.00 H new ATOM 475 N GLN A 35 3.180 -7.066 -8.500 1.00 0.00 N ATOM 476 CA GLN A 35 3.345 -8.214 -9.375 1.00 0.00 C ATOM 477 C GLN A 35 4.138 -7.820 -10.623 1.00 0.00 C ATOM 478 O GLN A 35 5.182 -8.403 -10.909 1.00 0.00 O ATOM 479 CB GLN A 35 1.990 -8.816 -9.753 1.00 0.00 C ATOM 480 CG GLN A 35 1.274 -9.372 -8.520 1.00 0.00 C ATOM 481 CD GLN A 35 1.427 -10.892 -8.438 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.655 -11.297 -8.125 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.492 -11.648 -8.644 1.00 0.00 N flip ATOM 0 H GLN A 35 2.221 -6.896 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 35 3.907 -8.978 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.369 -8.055 -10.226 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.133 -9.611 -10.485 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.682 -8.912 -7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.217 -9.111 -8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.426 -11.271 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.628 -12.657 -8.580 1.00 0.00 H new ATOM 492 N ARG A 36 3.610 -6.834 -11.333 1.00 0.00 N ATOM 493 CA ARG A 36 4.255 -6.356 -12.544 1.00 0.00 C ATOM 494 C ARG A 36 5.751 -6.147 -12.302 1.00 0.00 C ATOM 495 O ARG A 36 6.579 -6.568 -13.108 1.00 0.00 O ATOM 496 CB ARG A 36 3.634 -5.040 -13.016 1.00 0.00 C ATOM 497 CG ARG A 36 2.427 -5.297 -13.921 1.00 0.00 C ATOM 498 CD ARG A 36 1.841 -3.983 -14.440 1.00 0.00 C ATOM 499 NE ARG A 36 0.867 -4.255 -15.522 1.00 0.00 N ATOM 500 CZ ARG A 36 0.417 -3.327 -16.377 1.00 0.00 C ATOM 501 NH1 ARG A 36 0.848 -2.062 -16.283 1.00 0.00 N ATOM 502 NH2 ARG A 36 -0.466 -3.665 -17.328 1.00 0.00 N ATOM 0 H ARG A 36 2.743 -6.353 -11.093 1.00 0.00 H new ATOM 0 HA ARG A 36 4.110 -7.111 -13.316 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.327 -4.449 -12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.379 -4.455 -13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.725 -5.923 -14.762 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.664 -5.846 -13.369 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.353 -3.447 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.640 -3.341 -14.811 1.00 0.00 H new ATOM 0 HE ARG A 36 0.517 -5.208 -15.622 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.520 -1.804 -15.560 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.505 -1.356 -16.935 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.794 -4.628 -17.400 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.809 -2.959 -17.979 1.00 0.00 H new ATOM 516 N ILE A 37 6.053 -5.496 -11.188 1.00 0.00 N ATOM 517 CA ILE A 37 7.434 -5.226 -10.829 1.00 0.00 C ATOM 518 C ILE A 37 8.130 -6.541 -10.471 1.00 0.00 C ATOM 519 O ILE A 37 8.975 -7.024 -11.223 1.00 0.00 O ATOM 520 CB ILE A 37 7.505 -4.172 -9.722 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.058 -2.803 -10.239 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.902 -4.122 -9.100 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.119 -1.752 -9.129 1.00 0.00 C ATOM 0 H ILE A 37 5.364 -5.148 -10.522 1.00 0.00 H new ATOM 0 HA ILE A 37 7.971 -4.801 -11.677 1.00 0.00 H new ATOM 0 HB ILE A 37 6.812 -4.460 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.695 -2.498 -11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.041 -2.870 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.924 -3.365 -8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.145 -5.095 -8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.634 -3.871 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.796 -0.788 -9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.462 -2.048 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.142 -1.670 -8.762 1.00 0.00 H new ATOM 535 N LEU A 38 7.749 -7.082 -9.324 1.00 0.00 N ATOM 536 CA LEU A 38 8.326 -8.332 -8.857 1.00 0.00 C ATOM 537 C LEU A 38 8.029 -9.436 -9.874 1.00 0.00 C ATOM 538 O LEU A 38 6.881 -9.851 -10.028 1.00 0.00 O ATOM 539 CB LEU A 38 7.839 -8.651 -7.442 1.00 0.00 C ATOM 540 CG LEU A 38 8.083 -7.570 -6.388 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.138 -7.741 -5.198 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.551 -7.547 -5.956 1.00 0.00 C ATOM 0 H LEU A 38 7.048 -6.678 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 38 9.410 -8.248 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.769 -8.853 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.324 -9.569 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 38 7.864 -6.601 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.333 -6.960 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.106 -7.668 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.301 -8.717 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.697 -6.770 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.821 -8.515 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.182 -7.340 -6.821 1.00 0.00 H new ATOM 554 N PRO A 39 9.112 -9.892 -10.559 1.00 0.00 N ATOM 555 CA PRO A 39 8.979 -10.941 -11.556 1.00 0.00 C ATOM 556 C PRO A 39 8.779 -12.305 -10.894 1.00 0.00 C ATOM 557 O PRO A 39 7.687 -12.869 -10.943 1.00 0.00 O ATOM 558 CB PRO A 39 10.253 -10.862 -12.382 1.00 0.00 C ATOM 559 CG PRO A 39 11.251 -10.089 -11.534 1.00 0.00 C ATOM 560 CD PRO A 39 10.486 -9.425 -10.402 1.00 0.00 C ATOM 0 HA PRO A 39 8.101 -10.811 -12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.629 -11.858 -12.617 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.073 -10.357 -13.331 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.014 -10.759 -11.137 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.766 -9.341 -12.137 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.892 -9.708 -9.431 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.545 -8.339 -10.468 1.00 0.00 H new ATOM 568 N LYS A 40 9.851 -12.797 -10.291 1.00 0.00 N ATOM 569 CA LYS A 40 9.807 -14.085 -9.620 1.00 0.00 C ATOM 570 C LYS A 40 8.481 -14.219 -8.868 1.00 0.00 C ATOM 571 O LYS A 40 7.854 -15.277 -8.891 1.00 0.00 O ATOM 572 CB LYS A 40 11.039 -14.269 -8.731 1.00 0.00 C ATOM 573 CG LYS A 40 12.270 -14.625 -9.567 1.00 0.00 C ATOM 574 CD LYS A 40 12.293 -16.118 -9.902 1.00 0.00 C ATOM 575 CE LYS A 40 13.729 -16.622 -10.061 1.00 0.00 C ATOM 576 NZ LYS A 40 14.009 -16.951 -11.476 1.00 0.00 N ATOM 0 H LYS A 40 10.755 -12.327 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 40 9.844 -14.895 -10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.228 -13.353 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.851 -15.056 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.269 -14.042 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.175 -14.357 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.792 -16.679 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.737 -16.296 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.428 -15.862 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.882 -17.504 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.988 -17.291 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.354 -17.692 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.883 -16.101 -12.062 1.00 0.00 H new ATOM 590 N VAL A 41 8.093 -13.131 -8.219 1.00 0.00 N ATOM 591 CA VAL A 41 6.853 -13.113 -7.462 1.00 0.00 C ATOM 592 C VAL A 41 5.695 -13.511 -8.379 1.00 0.00 C ATOM 593 O VAL A 41 5.366 -12.788 -9.318 1.00 0.00 O ATOM 594 CB VAL A 41 6.657 -11.743 -6.811 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.257 -11.619 -6.205 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.736 -11.476 -5.759 1.00 0.00 C ATOM 0 H VAL A 41 8.616 -12.255 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 41 6.890 -13.840 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 41 6.753 -10.986 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.144 -10.636 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.509 -11.744 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.120 -12.389 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.573 -10.495 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.686 -12.241 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.718 -11.501 -6.231 1.00 0.00 H new ATOM 606 N LEU A 42 5.108 -14.659 -8.075 1.00 0.00 N ATOM 607 CA LEU A 42 3.994 -15.161 -8.860 1.00 0.00 C ATOM 608 C LEU A 42 2.686 -14.598 -8.300 1.00 0.00 C ATOM 609 O LEU A 42 1.738 -14.361 -9.047 1.00 0.00 O ATOM 610 CB LEU A 42 4.028 -16.690 -8.923 1.00 0.00 C ATOM 611 CG LEU A 42 5.122 -17.301 -9.800 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.912 -18.362 -9.032 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.537 -17.852 -11.102 1.00 0.00 C ATOM 0 H LEU A 42 5.383 -15.256 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 42 4.072 -14.821 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.146 -17.073 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.062 -17.040 -9.285 1.00 0.00 H new ATOM 0 HG LEU A 42 5.823 -16.512 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.683 -18.780 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.379 -17.907 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.238 -19.156 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.336 -18.281 -11.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.802 -18.623 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.056 -17.045 -11.655 1.00 0.00 H new ATOM 625 N GLU A 43 2.677 -14.400 -6.990 1.00 0.00 N ATOM 626 CA GLU A 43 1.501 -13.869 -6.322 1.00 0.00 C ATOM 627 C GLU A 43 1.911 -12.848 -5.259 1.00 0.00 C ATOM 628 O GLU A 43 2.973 -12.973 -4.649 1.00 0.00 O ATOM 629 CB GLU A 43 0.665 -14.993 -5.708 1.00 0.00 C ATOM 630 CG GLU A 43 0.105 -15.915 -6.794 1.00 0.00 C ATOM 631 CD GLU A 43 0.318 -17.385 -6.429 1.00 0.00 C ATOM 632 OE1 GLU A 43 1.473 -17.725 -6.093 1.00 0.00 O ATOM 633 OE2 GLU A 43 -0.679 -18.136 -6.493 1.00 0.00 O ATOM 0 H GLU A 43 3.465 -14.598 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 43 0.882 -13.364 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.278 -15.571 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.155 -14.567 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.959 -15.720 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.591 -15.699 -7.746 1.00 0.00 H new ATOM 640 N VAL A 44 1.048 -11.861 -5.068 1.00 0.00 N ATOM 641 CA VAL A 44 1.307 -10.819 -4.089 1.00 0.00 C ATOM 642 C VAL A 44 0.218 -10.853 -3.014 1.00 0.00 C ATOM 643 O VAL A 44 -0.947 -10.579 -3.297 1.00 0.00 O ATOM 644 CB VAL A 44 1.417 -9.461 -4.786 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.023 -8.326 -3.840 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.824 -9.245 -5.346 1.00 0.00 C ATOM 0 H VAL A 44 0.168 -11.761 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 44 2.261 -10.992 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 44 0.719 -9.456 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.110 -7.372 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.007 -8.467 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.684 -8.328 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.875 -8.273 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.549 -9.280 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.052 -10.028 -6.069 1.00 0.00 H new ATOM 656 N GLU A 45 0.637 -11.191 -1.804 1.00 0.00 N ATOM 657 CA GLU A 45 -0.288 -11.265 -0.685 1.00 0.00 C ATOM 658 C GLU A 45 -0.003 -10.141 0.313 1.00 0.00 C ATOM 659 O GLU A 45 0.870 -9.306 0.082 1.00 0.00 O ATOM 660 CB GLU A 45 -0.219 -12.633 -0.005 1.00 0.00 C ATOM 661 CG GLU A 45 1.212 -12.958 0.428 1.00 0.00 C ATOM 662 CD GLU A 45 1.902 -13.865 -0.593 1.00 0.00 C ATOM 663 OE1 GLU A 45 2.002 -13.431 -1.761 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.313 -14.972 -0.183 1.00 0.00 O ATOM 0 H GLU A 45 1.605 -11.417 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.301 -11.138 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.877 -12.645 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.579 -13.402 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.780 -12.035 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.199 -13.446 1.403 1.00 0.00 H new ATOM 671 N ASP A 46 -0.758 -10.155 1.402 1.00 0.00 N ATOM 672 CA ASP A 46 -0.598 -9.148 2.437 1.00 0.00 C ATOM 673 C ASP A 46 0.591 -9.520 3.326 1.00 0.00 C ATOM 674 O ASP A 46 0.889 -8.823 4.295 1.00 0.00 O ATOM 675 CB ASP A 46 -1.842 -9.065 3.323 1.00 0.00 C ATOM 676 CG ASP A 46 -2.802 -7.923 2.985 1.00 0.00 C ATOM 677 OD1 ASP A 46 -3.076 -7.750 1.777 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.240 -7.248 3.941 1.00 0.00 O ATOM 0 H ASP A 46 -1.482 -10.848 1.590 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.438 -8.187 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.384 -10.008 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.524 -8.958 4.360 1.00 0.00 H new ATOM 683 N SER A 47 1.239 -10.618 2.964 1.00 0.00 N ATOM 684 CA SER A 47 2.388 -11.091 3.716 1.00 0.00 C ATOM 685 C SER A 47 3.650 -10.999 2.856 1.00 0.00 C ATOM 686 O SER A 47 4.750 -11.279 3.330 1.00 0.00 O ATOM 687 CB SER A 47 2.178 -12.528 4.197 1.00 0.00 C ATOM 688 OG SER A 47 1.567 -12.576 5.484 1.00 0.00 O ATOM 0 H SER A 47 0.990 -11.193 2.160 1.00 0.00 H new ATOM 0 HA SER A 47 2.507 -10.456 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.555 -13.063 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.138 -13.043 4.232 1.00 0.00 H new ATOM 0 HG SER A 47 1.448 -13.510 5.755 1.00 0.00 H new ATOM 694 N THR A 48 3.450 -10.605 1.607 1.00 0.00 N ATOM 695 CA THR A 48 4.558 -10.472 0.677 1.00 0.00 C ATOM 696 C THR A 48 5.310 -9.163 0.926 1.00 0.00 C ATOM 697 O THR A 48 4.736 -8.082 0.809 1.00 0.00 O ATOM 698 CB THR A 48 4.000 -10.591 -0.743 1.00 0.00 C ATOM 699 OG1 THR A 48 4.219 -11.956 -1.089 1.00 0.00 O ATOM 700 CG2 THR A 48 4.829 -9.810 -1.765 1.00 0.00 C ATOM 0 H THR A 48 2.536 -10.373 1.217 1.00 0.00 H new ATOM 0 HA THR A 48 5.292 -11.264 0.821 1.00 0.00 H new ATOM 0 HB THR A 48 2.971 -10.232 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.899 -12.118 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.390 -9.928 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.838 -8.754 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.850 -10.191 -1.773 1.00 0.00 H new ATOM 708 N ASP A 49 6.583 -9.305 1.266 1.00 0.00 N ATOM 709 CA ASP A 49 7.419 -8.147 1.533 1.00 0.00 C ATOM 710 C ASP A 49 8.031 -7.652 0.221 1.00 0.00 C ATOM 711 O ASP A 49 8.784 -8.376 -0.429 1.00 0.00 O ATOM 712 CB ASP A 49 8.563 -8.503 2.485 1.00 0.00 C ATOM 713 CG ASP A 49 8.878 -7.442 3.542 1.00 0.00 C ATOM 714 OD1 ASP A 49 8.137 -7.407 4.548 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.853 -6.692 3.320 1.00 0.00 O ATOM 0 H ASP A 49 7.055 -10.204 1.363 1.00 0.00 H new ATOM 0 HA ASP A 49 6.796 -7.378 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.318 -9.437 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.462 -8.686 1.896 1.00 0.00 H new ATOM 720 N PHE A 50 7.686 -6.422 -0.129 1.00 0.00 N ATOM 721 CA PHE A 50 8.192 -5.822 -1.351 1.00 0.00 C ATOM 722 C PHE A 50 9.672 -6.153 -1.553 1.00 0.00 C ATOM 723 O PHE A 50 10.100 -6.444 -2.668 1.00 0.00 O ATOM 724 CB PHE A 50 8.036 -4.307 -1.203 1.00 0.00 C ATOM 725 CG PHE A 50 8.287 -3.526 -2.495 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.617 -3.859 -3.631 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.180 -2.501 -2.508 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.850 -3.135 -4.830 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.413 -1.776 -3.707 1.00 0.00 C ATOM 730 CZ PHE A 50 8.743 -2.109 -4.843 1.00 0.00 C ATOM 0 H PHE A 50 7.062 -5.824 0.413 1.00 0.00 H new ATOM 0 HA PHE A 50 7.641 -6.206 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.029 -4.089 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.727 -3.954 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.908 -4.674 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.713 -2.238 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.318 -3.399 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.122 -0.961 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.920 -1.559 -5.755 1.00 0.00 H new ATOM 740 N PHE A 51 10.413 -6.097 -0.455 1.00 0.00 N ATOM 741 CA PHE A 51 11.836 -6.388 -0.498 1.00 0.00 C ATOM 742 C PHE A 51 12.085 -7.893 -0.616 1.00 0.00 C ATOM 743 O PHE A 51 12.642 -8.357 -1.610 1.00 0.00 O ATOM 744 CB PHE A 51 12.434 -5.886 0.818 1.00 0.00 C ATOM 745 CG PHE A 51 12.294 -4.377 1.030 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.650 -3.515 0.041 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.812 -3.898 2.209 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.520 -2.115 0.238 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.682 -2.498 2.406 1.00 0.00 C ATOM 750 CZ PHE A 51 12.038 -1.636 1.416 1.00 0.00 C ATOM 0 H PHE A 51 10.055 -5.855 0.469 1.00 0.00 H new ATOM 0 HA PHE A 51 12.289 -5.903 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.951 -6.405 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.491 -6.150 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 51 13.032 -3.895 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.528 -4.583 2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.804 -1.430 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.300 -2.118 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.938 -0.571 1.565 1.00 0.00 H new ATOM 760 N LYS A 52 11.660 -8.613 0.411 1.00 0.00 N ATOM 761 CA LYS A 52 11.830 -10.056 0.435 1.00 0.00 C ATOM 762 C LYS A 52 11.576 -10.618 -0.965 1.00 0.00 C ATOM 763 O LYS A 52 12.181 -11.614 -1.358 1.00 0.00 O ATOM 764 CB LYS A 52 10.950 -10.682 1.518 1.00 0.00 C ATOM 765 CG LYS A 52 11.270 -10.093 2.893 1.00 0.00 C ATOM 766 CD LYS A 52 12.059 -11.089 3.746 1.00 0.00 C ATOM 767 CE LYS A 52 13.211 -10.395 4.474 1.00 0.00 C ATOM 768 NZ LYS A 52 12.961 -10.366 5.933 1.00 0.00 N ATOM 0 H LYS A 52 11.198 -8.224 1.233 1.00 0.00 H new ATOM 0 HA LYS A 52 12.855 -10.314 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.900 -10.512 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.102 -11.761 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.845 -9.175 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.344 -9.826 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.395 -11.557 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.451 -11.885 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.145 -10.918 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.326 -9.378 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.753 -9.891 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.080 -9.847 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.874 -11.339 6.290 1.00 0.00 H new ATOM 782 N SER A 53 10.679 -9.955 -1.680 1.00 0.00 N ATOM 783 CA SER A 53 10.336 -10.376 -3.028 1.00 0.00 C ATOM 784 C SER A 53 11.547 -10.216 -3.950 1.00 0.00 C ATOM 785 O SER A 53 12.067 -11.200 -4.475 1.00 0.00 O ATOM 786 CB SER A 53 9.149 -9.578 -3.570 1.00 0.00 C ATOM 787 OG SER A 53 7.902 -10.126 -3.151 1.00 0.00 O ATOM 0 H SER A 53 10.179 -9.129 -1.351 1.00 0.00 H new ATOM 0 HA SER A 53 10.048 -11.427 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.223 -8.544 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.190 -9.561 -4.659 1.00 0.00 H new ATOM 0 HG SER A 53 7.970 -10.417 -2.218 1.00 0.00 H new ATOM 793 N GLY A 54 11.962 -8.969 -4.118 1.00 0.00 N ATOM 794 CA GLY A 54 13.102 -8.668 -4.967 1.00 0.00 C ATOM 795 C GLY A 54 13.044 -7.224 -5.471 1.00 0.00 C ATOM 796 O GLY A 54 13.322 -6.959 -6.639 1.00 0.00 O ATOM 0 H GLY A 54 11.529 -8.155 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.026 -8.826 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.119 -9.353 -5.815 1.00 0.00 H new ATOM 800 N ALA A 55 12.682 -6.329 -4.564 1.00 0.00 N ATOM 801 CA ALA A 55 12.584 -4.919 -4.902 1.00 0.00 C ATOM 802 C ALA A 55 13.922 -4.236 -4.612 1.00 0.00 C ATOM 803 O ALA A 55 14.455 -4.349 -3.509 1.00 0.00 O ATOM 804 CB ALA A 55 11.426 -4.287 -4.126 1.00 0.00 C ATOM 0 H ALA A 55 12.453 -6.553 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 55 12.372 -4.792 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.352 -3.229 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.495 -4.789 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.605 -4.392 -3.056 1.00 0.00 H new ATOM 810 N ALA A 56 14.426 -3.541 -5.622 1.00 0.00 N ATOM 811 CA ALA A 56 15.691 -2.839 -5.489 1.00 0.00 C ATOM 812 C ALA A 56 15.446 -1.468 -4.856 1.00 0.00 C ATOM 813 O ALA A 56 14.375 -1.218 -4.306 1.00 0.00 O ATOM 814 CB ALA A 56 16.364 -2.737 -6.859 1.00 0.00 C ATOM 0 H ALA A 56 13.981 -3.449 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 56 16.367 -3.388 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.313 -2.210 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.544 -3.738 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.715 -2.190 -7.543 1.00 0.00 H new ATOM 820 N SER A 57 16.456 -0.617 -4.956 1.00 0.00 N ATOM 821 CA SER A 57 16.363 0.723 -4.400 1.00 0.00 C ATOM 822 C SER A 57 15.647 1.649 -5.384 1.00 0.00 C ATOM 823 O SER A 57 15.258 2.760 -5.026 1.00 0.00 O ATOM 824 CB SER A 57 17.749 1.276 -4.062 1.00 0.00 C ATOM 825 OG SER A 57 18.314 0.638 -2.920 1.00 0.00 O ATOM 0 H SER A 57 17.343 -0.829 -5.413 1.00 0.00 H new ATOM 0 HA SER A 57 15.787 0.671 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.411 1.142 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.677 2.348 -3.880 1.00 0.00 H new ATOM 0 HG SER A 57 19.199 1.017 -2.738 1.00 0.00 H new ATOM 831 N VAL A 58 15.494 1.159 -6.605 1.00 0.00 N ATOM 832 CA VAL A 58 14.832 1.929 -7.644 1.00 0.00 C ATOM 833 C VAL A 58 13.343 1.577 -7.663 1.00 0.00 C ATOM 834 O VAL A 58 12.500 2.442 -7.895 1.00 0.00 O ATOM 835 CB VAL A 58 15.519 1.692 -8.990 1.00 0.00 C ATOM 836 CG1 VAL A 58 17.038 1.609 -8.824 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.973 0.435 -9.671 1.00 0.00 C ATOM 0 H VAL A 58 15.817 0.237 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 58 14.912 2.996 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 58 15.298 2.544 -9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.502 1.440 -9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.409 2.543 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.286 0.785 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.478 0.290 -10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.149 -0.430 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.902 0.549 -9.841 1.00 0.00 H new ATOM 847 N ASP A 59 13.065 0.306 -7.415 1.00 0.00 N ATOM 848 CA ASP A 59 11.692 -0.171 -7.400 1.00 0.00 C ATOM 849 C ASP A 59 10.892 0.625 -6.368 1.00 0.00 C ATOM 850 O ASP A 59 9.720 0.930 -6.587 1.00 0.00 O ATOM 851 CB ASP A 59 11.627 -1.649 -7.012 1.00 0.00 C ATOM 852 CG ASP A 59 12.350 -2.601 -7.967 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.558 -2.370 -8.192 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.679 -3.539 -8.450 1.00 0.00 O ATOM 0 H ASP A 59 13.767 -0.409 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 59 11.279 -0.043 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.052 -1.766 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.580 -1.947 -6.949 1.00 0.00 H new ATOM 859 N VAL A 60 11.555 0.939 -5.265 1.00 0.00 N ATOM 860 CA VAL A 60 10.920 1.694 -4.198 1.00 0.00 C ATOM 861 C VAL A 60 10.241 2.931 -4.789 1.00 0.00 C ATOM 862 O VAL A 60 9.066 3.184 -4.525 1.00 0.00 O ATOM 863 CB VAL A 60 11.946 2.035 -3.116 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.330 2.932 -2.040 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.535 0.765 -2.499 1.00 0.00 C ATOM 0 H VAL A 60 12.526 0.684 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 60 10.146 1.097 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 60 12.759 2.587 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.080 3.160 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.981 3.859 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.489 2.417 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.261 1.036 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.736 0.175 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 60 13.027 0.178 -3.275 1.00 0.00 H new ATOM 875 N VAL A 61 11.008 3.668 -5.579 1.00 0.00 N ATOM 876 CA VAL A 61 10.495 4.872 -6.209 1.00 0.00 C ATOM 877 C VAL A 61 9.471 4.486 -7.278 1.00 0.00 C ATOM 878 O VAL A 61 8.445 5.149 -7.429 1.00 0.00 O ATOM 879 CB VAL A 61 11.652 5.706 -6.763 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.178 7.107 -7.156 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.805 5.778 -5.761 1.00 0.00 C ATOM 0 H VAL A 61 11.981 3.454 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 61 9.982 5.497 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 61 12.021 5.212 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.019 7.679 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.406 7.029 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.771 7.612 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.614 6.376 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.455 6.237 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.169 4.772 -5.552 1.00 0.00 H new ATOM 891 N ARG A 62 9.784 3.415 -7.993 1.00 0.00 N ATOM 892 CA ARG A 62 8.903 2.933 -9.043 1.00 0.00 C ATOM 893 C ARG A 62 7.494 2.707 -8.492 1.00 0.00 C ATOM 894 O ARG A 62 6.528 3.281 -8.994 1.00 0.00 O ATOM 895 CB ARG A 62 9.425 1.625 -9.642 1.00 0.00 C ATOM 896 CG ARG A 62 9.236 1.603 -11.160 1.00 0.00 C ATOM 897 CD ARG A 62 9.945 0.399 -11.784 1.00 0.00 C ATOM 898 NE ARG A 62 9.099 -0.192 -12.844 1.00 0.00 N ATOM 899 CZ ARG A 62 9.044 0.264 -14.103 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.784 1.320 -14.466 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.248 -0.336 -14.999 1.00 0.00 N ATOM 0 H ARG A 62 10.635 2.868 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 62 8.873 3.692 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.482 1.507 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.900 0.781 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.173 1.566 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.627 2.524 -11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.904 0.707 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.156 -0.347 -11.018 1.00 0.00 H new ATOM 0 HE ARG A 62 8.521 -0.997 -12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.389 1.777 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.742 1.667 -15.424 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.684 -1.140 -14.723 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.206 0.011 -15.957 1.00 0.00 H new ATOM 915 N LEU A 63 7.420 1.870 -7.468 1.00 0.00 N ATOM 916 CA LEU A 63 6.145 1.562 -6.844 1.00 0.00 C ATOM 917 C LEU A 63 5.455 2.864 -6.433 1.00 0.00 C ATOM 918 O LEU A 63 4.273 3.059 -6.711 1.00 0.00 O ATOM 919 CB LEU A 63 6.338 0.577 -5.689 1.00 0.00 C ATOM 920 CG LEU A 63 5.293 0.638 -4.573 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.911 0.235 -5.094 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.722 -0.207 -3.372 1.00 0.00 C ATOM 0 H LEU A 63 8.223 1.395 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 63 5.485 1.061 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.346 -0.434 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.320 0.751 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 63 5.220 1.670 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.186 0.287 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.611 0.914 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.951 -0.783 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.961 -0.146 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.842 -1.245 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.669 0.167 -2.984 1.00 0.00 H new ATOM 934 N VAL A 64 6.223 3.722 -5.777 1.00 0.00 N ATOM 935 CA VAL A 64 5.700 5.000 -5.326 1.00 0.00 C ATOM 936 C VAL A 64 5.248 5.818 -6.537 1.00 0.00 C ATOM 937 O VAL A 64 4.222 6.496 -6.485 1.00 0.00 O ATOM 938 CB VAL A 64 6.746 5.722 -4.474 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.173 7.007 -3.873 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.292 4.802 -3.380 1.00 0.00 C ATOM 0 H VAL A 64 7.203 3.557 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 64 4.827 4.852 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 64 7.575 5.998 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.937 7.500 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.856 7.674 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.317 6.764 -3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.033 5.340 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.475 4.481 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.757 3.929 -3.838 1.00 0.00 H new ATOM 950 N GLU A 65 6.034 5.728 -7.599 1.00 0.00 N ATOM 951 CA GLU A 65 5.728 6.451 -8.821 1.00 0.00 C ATOM 952 C GLU A 65 4.478 5.868 -9.484 1.00 0.00 C ATOM 953 O GLU A 65 3.619 6.609 -9.958 1.00 0.00 O ATOM 954 CB GLU A 65 6.918 6.433 -9.782 1.00 0.00 C ATOM 955 CG GLU A 65 7.945 7.501 -9.403 1.00 0.00 C ATOM 956 CD GLU A 65 7.895 8.681 -10.376 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.011 9.543 -10.178 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.741 8.695 -11.295 1.00 0.00 O ATOM 0 H GLU A 65 6.883 5.165 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 65 5.527 7.491 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.388 5.450 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.570 6.603 -10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.752 7.853 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.944 7.066 -9.405 1.00 0.00 H new ATOM 965 N GLU A 66 4.417 4.544 -9.496 1.00 0.00 N ATOM 966 CA GLU A 66 3.288 3.852 -10.093 1.00 0.00 C ATOM 967 C GLU A 66 1.993 4.225 -9.367 1.00 0.00 C ATOM 968 O GLU A 66 1.047 4.708 -9.986 1.00 0.00 O ATOM 969 CB GLU A 66 3.505 2.338 -10.084 1.00 0.00 C ATOM 970 CG GLU A 66 4.618 1.938 -11.055 1.00 0.00 C ATOM 971 CD GLU A 66 4.147 0.834 -12.004 1.00 0.00 C ATOM 972 OE1 GLU A 66 2.998 0.949 -12.483 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.946 -0.100 -12.229 1.00 0.00 O ATOM 0 H GLU A 66 5.132 3.933 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 66 3.203 4.167 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.761 2.010 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.579 1.833 -10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.933 2.808 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.488 1.595 -10.495 1.00 0.00 H new ATOM 980 N VAL A 67 1.993 3.985 -8.064 1.00 0.00 N ATOM 981 CA VAL A 67 0.831 4.290 -7.247 1.00 0.00 C ATOM 982 C VAL A 67 0.491 5.775 -7.384 1.00 0.00 C ATOM 983 O VAL A 67 -0.648 6.178 -7.155 1.00 0.00 O ATOM 984 CB VAL A 67 1.083 3.866 -5.799 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.115 4.207 -4.911 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.422 2.376 -5.714 1.00 0.00 C ATOM 0 H VAL A 67 2.779 3.583 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.036 3.725 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 67 1.943 4.426 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.091 3.895 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.291 5.282 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.000 3.687 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.596 2.101 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.592 1.791 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.320 2.173 -6.298 1.00 0.00 H new ATOM 996 N LYS A 68 1.500 6.548 -7.758 1.00 0.00 N ATOM 997 CA LYS A 68 1.322 7.980 -7.929 1.00 0.00 C ATOM 998 C LYS A 68 0.327 8.234 -9.063 1.00 0.00 C ATOM 999 O LYS A 68 -0.525 9.116 -8.960 1.00 0.00 O ATOM 1000 CB LYS A 68 2.674 8.667 -8.131 1.00 0.00 C ATOM 1001 CG LYS A 68 2.986 9.615 -6.971 1.00 0.00 C ATOM 1002 CD LYS A 68 4.296 9.226 -6.283 1.00 0.00 C ATOM 1003 CE LYS A 68 5.062 10.468 -5.821 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.302 10.078 -5.113 1.00 0.00 N ATOM 0 H LYS A 68 2.443 6.210 -7.947 1.00 0.00 H new ATOM 0 HA LYS A 68 0.897 8.422 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.459 7.915 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.667 9.223 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.055 10.638 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.170 9.592 -6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.085 8.585 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.914 8.648 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.308 11.092 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.433 11.067 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.964 10.880 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.073 9.808 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.741 9.271 -5.601 1.00 0.00 H new ATOM 1018 N GLU A 69 0.468 7.446 -10.119 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.408 7.575 -11.271 1.00 0.00 C ATOM 1020 C GLU A 69 -1.802 7.038 -10.940 1.00 0.00 C ATOM 1021 O GLU A 69 -2.777 7.380 -11.608 1.00 0.00 O ATOM 1022 CB GLU A 69 0.180 6.861 -12.489 1.00 0.00 C ATOM 1023 CG GLU A 69 1.647 7.242 -12.693 1.00 0.00 C ATOM 1024 CD GLU A 69 1.839 7.999 -14.009 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.555 9.217 -14.010 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.266 7.344 -14.983 1.00 0.00 O ATOM 0 H GLU A 69 1.176 6.716 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.497 8.633 -11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.096 5.782 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.394 7.120 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.985 7.860 -11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.263 6.343 -12.693 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.852 6.206 -9.910 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.111 5.618 -9.483 1.00 0.00 C ATOM 1035 C LEU A 70 -3.998 6.708 -8.878 1.00 0.00 C ATOM 1036 O LEU A 70 -5.170 6.827 -9.232 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.859 4.437 -8.543 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.536 3.102 -9.216 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.346 1.996 -8.176 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.602 2.738 -10.252 1.00 0.00 C ATOM 0 H LEU A 70 -1.041 5.925 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.649 5.206 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.034 4.696 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.741 4.302 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.592 3.208 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.117 1.057 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.524 2.260 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.261 1.882 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.348 1.785 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.572 2.657 -9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.646 3.513 -11.017 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.405 7.475 -7.975 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.127 8.550 -7.317 1.00 0.00 C ATOM 1054 C CYS A 71 -3.786 9.862 -8.026 1.00 0.00 C ATOM 1055 O CYS A 71 -4.285 10.923 -7.652 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.811 8.612 -5.821 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.298 9.125 -4.887 1.00 0.00 S ATOM 0 H CYS A 71 -2.433 7.373 -7.684 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.199 8.367 -7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.471 7.637 -5.472 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.998 9.316 -5.642 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.019 9.172 -3.618 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.938 9.748 -9.038 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.525 10.912 -9.803 1.00 0.00 C ATOM 1065 C ASP A 72 -1.794 11.890 -8.881 1.00 0.00 C ATOM 1066 O ASP A 72 -2.367 12.891 -8.453 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.733 11.637 -10.399 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.410 12.946 -11.121 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.748 12.863 -12.178 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.833 14.001 -10.600 1.00 0.00 O ATOM 0 H ASP A 72 -2.526 8.867 -9.346 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.875 10.572 -10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.231 10.967 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.443 11.847 -9.599 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.540 11.566 -8.601 1.00 0.00 N ATOM 1076 CA GLY A 73 0.274 12.404 -7.738 1.00 0.00 C ATOM 1077 C GLY A 73 0.046 12.058 -6.265 1.00 0.00 C ATOM 1078 O GLY A 73 -0.022 12.948 -5.418 1.00 0.00 O ATOM 0 H GLY A 73 -0.068 10.735 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.327 12.274 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.033 13.453 -7.911 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.066 10.764 -6.004 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.285 10.290 -4.648 1.00 0.00 C ATOM 1084 C LEU A 74 0.839 10.802 -3.746 1.00 0.00 C ATOM 1085 O LEU A 74 2.013 10.722 -4.105 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.443 8.768 -4.632 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.613 8.127 -3.253 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.925 8.568 -2.601 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.500 6.603 -3.340 1.00 0.00 C ATOM 0 H LEU A 74 -0.009 10.029 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.219 10.688 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.307 8.506 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.431 8.327 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 74 0.197 8.475 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.021 8.098 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.927 9.652 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.763 8.269 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.624 6.172 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.275 6.218 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.480 6.333 -3.733 1.00 0.00 H new ATOM 1101 N GLU A 75 0.441 11.316 -2.591 1.00 0.00 N ATOM 1102 CA GLU A 75 1.400 11.840 -1.635 1.00 0.00 C ATOM 1103 C GLU A 75 2.159 10.694 -0.961 1.00 0.00 C ATOM 1104 O GLU A 75 2.105 10.542 0.258 1.00 0.00 O ATOM 1105 CB GLU A 75 0.710 12.726 -0.596 1.00 0.00 C ATOM 1106 CG GLU A 75 0.485 14.138 -1.142 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.333 14.981 -0.162 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -1.285 14.414 0.417 1.00 0.00 O ATOM 1109 OE2 GLU A 75 0.012 16.173 -0.014 1.00 0.00 O ATOM 0 H GLU A 75 -0.533 11.380 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 75 2.118 12.459 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.246 12.285 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.318 12.774 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.446 14.618 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.032 14.083 -2.100 1.00 0.00 H new ATOM 1116 N LEU A 76 2.848 9.918 -1.785 1.00 0.00 N ATOM 1117 CA LEU A 76 3.616 8.792 -1.284 1.00 0.00 C ATOM 1118 C LEU A 76 5.108 9.126 -1.352 1.00 0.00 C ATOM 1119 O LEU A 76 5.549 9.828 -2.260 1.00 0.00 O ATOM 1120 CB LEU A 76 3.238 7.511 -2.031 1.00 0.00 C ATOM 1121 CG LEU A 76 3.599 6.197 -1.336 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.571 5.847 -0.258 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.771 5.067 -2.353 1.00 0.00 C ATOM 0 H LEU A 76 2.890 10.047 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 76 3.379 8.605 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.163 7.522 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.722 7.527 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 76 4.559 6.328 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.851 4.909 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.542 6.641 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.587 5.742 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.027 4.145 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.840 4.927 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.569 5.323 -3.050 1.00 0.00 H new ATOM 1135 N GLU A 77 5.843 8.607 -0.380 1.00 0.00 N ATOM 1136 CA GLU A 77 7.275 8.842 -0.318 1.00 0.00 C ATOM 1137 C GLU A 77 8.031 7.512 -0.292 1.00 0.00 C ATOM 1138 O GLU A 77 7.555 6.535 0.284 1.00 0.00 O ATOM 1139 CB GLU A 77 7.638 9.702 0.895 1.00 0.00 C ATOM 1140 CG GLU A 77 6.615 9.525 2.018 1.00 0.00 C ATOM 1141 CD GLU A 77 6.847 10.544 3.136 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.030 10.747 3.483 1.00 0.00 O ATOM 1143 OE2 GLU A 77 5.835 11.097 3.618 1.00 0.00 O ATOM 0 H GLU A 77 5.473 8.024 0.371 1.00 0.00 H new ATOM 0 HA GLU A 77 7.572 9.389 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.630 9.429 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.683 10.751 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.607 9.641 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.684 8.515 2.422 1.00 0.00 H new ATOM 1150 N ASN A 78 9.195 7.517 -0.924 1.00 0.00 N ATOM 1151 CA ASN A 78 10.021 6.323 -0.981 1.00 0.00 C ATOM 1152 C ASN A 78 10.000 5.628 0.382 1.00 0.00 C ATOM 1153 O ASN A 78 9.949 4.401 0.456 1.00 0.00 O ATOM 1154 CB ASN A 78 11.473 6.672 -1.311 1.00 0.00 C ATOM 1155 CG ASN A 78 11.545 7.752 -2.393 1.00 0.00 C ATOM 1156 OD1 ASN A 78 10.913 7.433 -3.518 1.00 0.00 O flip ATOM 1157 ND2 ASN A 78 12.136 8.805 -2.218 1.00 0.00 N flip ATOM 0 H ASN A 78 9.586 8.329 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 78 9.621 5.674 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.981 7.019 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.998 5.778 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.601 8.987 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.165 9.503 -2.961 1.00 0.00 H new ATOM 1164 N GLU A 79 10.041 6.442 1.426 1.00 0.00 N ATOM 1165 CA GLU A 79 10.027 5.921 2.782 1.00 0.00 C ATOM 1166 C GLU A 79 8.809 5.019 2.992 1.00 0.00 C ATOM 1167 O GLU A 79 8.938 3.901 3.490 1.00 0.00 O ATOM 1168 CB GLU A 79 10.050 7.057 3.807 1.00 0.00 C ATOM 1169 CG GLU A 79 11.467 7.289 4.336 1.00 0.00 C ATOM 1170 CD GLU A 79 11.472 7.391 5.863 1.00 0.00 C ATOM 1171 OE1 GLU A 79 11.093 6.384 6.500 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.854 8.473 6.359 1.00 0.00 O ATOM 0 H GLU A 79 10.084 7.459 1.360 1.00 0.00 H new ATOM 0 HA GLU A 79 10.927 5.324 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.674 7.972 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.383 6.818 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.115 6.472 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.875 8.204 3.905 1.00 0.00 H new ATOM 1179 N ASP A 80 7.654 5.537 2.602 1.00 0.00 N ATOM 1180 CA ASP A 80 6.414 4.793 2.741 1.00 0.00 C ATOM 1181 C ASP A 80 6.675 3.316 2.438 1.00 0.00 C ATOM 1182 O ASP A 80 6.078 2.437 3.058 1.00 0.00 O ATOM 1183 CB ASP A 80 5.356 5.297 1.757 1.00 0.00 C ATOM 1184 CG ASP A 80 5.199 4.456 0.489 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.018 4.661 -0.433 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.264 3.627 0.470 1.00 0.00 O ATOM 0 H ASP A 80 7.551 6.464 2.189 1.00 0.00 H new ATOM 0 HA ASP A 80 6.052 4.928 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.395 5.337 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.607 6.318 1.469 1.00 0.00 H new ATOM 1191 N VAL A 81 7.568 3.088 1.486 1.00 0.00 N ATOM 1192 CA VAL A 81 7.915 1.733 1.094 1.00 0.00 C ATOM 1193 C VAL A 81 8.766 1.091 2.192 1.00 0.00 C ATOM 1194 O VAL A 81 8.409 0.043 2.726 1.00 0.00 O ATOM 1195 CB VAL A 81 8.608 1.744 -0.270 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.949 0.322 -0.723 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.750 2.461 -1.314 1.00 0.00 C ATOM 0 H VAL A 81 8.062 3.819 0.975 1.00 0.00 H new ATOM 0 HA VAL A 81 7.017 1.126 0.982 1.00 0.00 H new ATOM 0 HB VAL A 81 9.542 2.296 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.441 0.358 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.616 -0.141 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.033 -0.264 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.265 2.455 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.793 1.949 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.580 3.491 -1.000 1.00 0.00 H new ATOM 1207 N TYR A 82 9.877 1.748 2.495 1.00 0.00 N ATOM 1208 CA TYR A 82 10.782 1.255 3.519 1.00 0.00 C ATOM 1209 C TYR A 82 10.059 1.093 4.858 1.00 0.00 C ATOM 1210 O TYR A 82 10.563 0.431 5.764 1.00 0.00 O ATOM 1211 CB TYR A 82 11.871 2.319 3.667 1.00 0.00 C ATOM 1212 CG TYR A 82 12.888 2.331 2.523 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.636 3.068 1.384 1.00 0.00 C ATOM 1214 CD2 TYR A 82 14.057 1.605 2.632 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.593 3.079 0.308 1.00 0.00 C ATOM 1216 CE2 TYR A 82 15.014 1.617 1.556 1.00 0.00 C ATOM 1217 CZ TYR A 82 14.735 2.353 0.447 1.00 0.00 C ATOM 1218 OH TYR A 82 15.638 2.364 -0.569 1.00 0.00 O ATOM 0 H TYR A 82 10.170 2.617 2.049 1.00 0.00 H new ATOM 0 HA TYR A 82 11.184 0.281 3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.400 3.300 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.398 2.156 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.722 3.636 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 82 14.254 1.028 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.408 3.651 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 82 15.933 1.054 1.628 1.00 0.00 H new ATOM 0 HH TYR A 82 16.405 1.803 -0.331 1.00 0.00 H new ATOM 1228 N MET A 83 8.889 1.710 4.941 1.00 0.00 N ATOM 1229 CA MET A 83 8.092 1.642 6.154 1.00 0.00 C ATOM 1230 C MET A 83 7.134 0.450 6.115 1.00 0.00 C ATOM 1231 O MET A 83 6.991 -0.269 7.103 1.00 0.00 O ATOM 1232 CB MET A 83 7.291 2.936 6.311 1.00 0.00 C ATOM 1233 CG MET A 83 7.494 3.542 7.701 1.00 0.00 C ATOM 1234 SD MET A 83 7.191 2.308 8.955 1.00 0.00 S ATOM 1235 CE MET A 83 6.412 3.319 10.202 1.00 0.00 C ATOM 0 H MET A 83 8.474 2.259 4.188 1.00 0.00 H new ATOM 0 HA MET A 83 8.765 1.515 7.002 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.599 3.653 5.550 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.232 2.734 6.150 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.510 3.926 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.820 4.387 7.840 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.155 2.702 11.063 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.098 4.107 10.513 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.506 3.767 9.794 1.00 0.00 H new ATOM 1245 N ALA A 84 6.503 0.276 4.963 1.00 0.00 N ATOM 1246 CA ALA A 84 5.563 -0.817 4.782 1.00 0.00 C ATOM 1247 C ALA A 84 6.027 -1.696 3.619 1.00 0.00 C ATOM 1248 O ALA A 84 5.434 -1.669 2.541 1.00 0.00 O ATOM 1249 CB ALA A 84 4.158 -0.252 4.562 1.00 0.00 C ATOM 0 H ALA A 84 6.624 0.874 4.146 1.00 0.00 H new ATOM 0 HA ALA A 84 5.526 -1.443 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.453 -1.072 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.864 0.340 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.155 0.380 3.674 1.00 0.00 H new ATOM 1255 N SER A 85 7.082 -2.455 3.877 1.00 0.00 N ATOM 1256 CA SER A 85 7.632 -3.341 2.865 1.00 0.00 C ATOM 1257 C SER A 85 6.567 -4.340 2.409 1.00 0.00 C ATOM 1258 O SER A 85 6.510 -4.699 1.234 1.00 0.00 O ATOM 1259 CB SER A 85 8.863 -4.081 3.391 1.00 0.00 C ATOM 1260 OG SER A 85 8.528 -5.017 4.411 1.00 0.00 O ATOM 0 H SER A 85 7.571 -2.475 4.772 1.00 0.00 H new ATOM 0 HA SER A 85 7.942 -2.736 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.352 -4.602 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.580 -3.359 3.783 1.00 0.00 H new ATOM 0 HG SER A 85 9.317 -5.555 4.634 1.00 0.00 H new ATOM 1266 N THR A 86 5.749 -4.760 3.362 1.00 0.00 N ATOM 1267 CA THR A 86 4.688 -5.711 3.074 1.00 0.00 C ATOM 1268 C THR A 86 3.491 -4.999 2.440 1.00 0.00 C ATOM 1269 O THR A 86 3.144 -3.888 2.838 1.00 0.00 O ATOM 1270 CB THR A 86 4.343 -6.443 4.372 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.374 -5.422 5.365 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.440 -7.417 4.805 1.00 0.00 C ATOM 0 H THR A 86 5.799 -4.459 4.335 1.00 0.00 H new ATOM 0 HA THR A 86 5.009 -6.452 2.342 1.00 0.00 H new ATOM 0 HB THR A 86 3.406 -6.985 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.160 -5.809 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.144 -7.910 5.731 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.589 -8.166 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.369 -6.870 4.965 1.00 0.00 H new ATOM 1280 N PHE A 87 2.893 -5.668 1.466 1.00 0.00 N ATOM 1281 CA PHE A 87 1.742 -5.113 0.774 1.00 0.00 C ATOM 1282 C PHE A 87 0.614 -4.792 1.756 1.00 0.00 C ATOM 1283 O PHE A 87 0.120 -3.666 1.793 1.00 0.00 O ATOM 1284 CB PHE A 87 1.257 -6.177 -0.212 1.00 0.00 C ATOM 1285 CG PHE A 87 0.204 -5.675 -1.201 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.519 -4.698 -2.094 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.049 -6.205 -1.189 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.459 -4.232 -3.012 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.027 -5.739 -2.107 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.711 -4.763 -2.999 1.00 0.00 C ATOM 0 H PHE A 87 3.184 -6.589 1.139 1.00 0.00 H new ATOM 0 HA PHE A 87 2.022 -4.188 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.113 -6.557 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.844 -7.016 0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.513 -4.277 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.300 -6.981 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.209 -3.456 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.022 -6.160 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.455 -4.409 -3.698 1.00 0.00 H new ATOM 1300 N GLY A 88 0.240 -5.802 2.527 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.821 -5.642 3.507 1.00 0.00 C ATOM 1302 C GLY A 88 -0.692 -4.306 4.241 1.00 0.00 C ATOM 1303 O GLY A 88 -1.607 -3.484 4.208 1.00 0.00 O ATOM 0 H GLY A 88 0.653 -6.734 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.790 -5.697 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.784 -6.461 4.225 1.00 0.00 H new ATOM 1307 N ASP A 89 0.451 -4.130 4.887 1.00 0.00 N ATOM 1308 CA ASP A 89 0.711 -2.907 5.629 1.00 0.00 C ATOM 1309 C ASP A 89 0.682 -1.718 4.668 1.00 0.00 C ATOM 1310 O ASP A 89 -0.008 -0.730 4.917 1.00 0.00 O ATOM 1311 CB ASP A 89 2.090 -2.947 6.290 1.00 0.00 C ATOM 1312 CG ASP A 89 2.106 -2.578 7.774 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.320 -3.197 8.522 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.905 -1.683 8.128 1.00 0.00 O ATOM 0 H ASP A 89 1.208 -4.813 4.912 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.055 -2.809 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.502 -3.950 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.753 -2.267 5.755 1.00 0.00 H new ATOM 1319 N PHE A 90 1.439 -1.850 3.589 1.00 0.00 N ATOM 1320 CA PHE A 90 1.509 -0.798 2.589 1.00 0.00 C ATOM 1321 C PHE A 90 0.110 -0.303 2.216 1.00 0.00 C ATOM 1322 O PHE A 90 -0.140 0.901 2.188 1.00 0.00 O ATOM 1323 CB PHE A 90 2.171 -1.402 1.349 1.00 0.00 C ATOM 1324 CG PHE A 90 2.358 -0.411 0.198 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.453 0.395 0.166 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.430 -0.337 -0.793 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.626 1.315 -0.902 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.603 0.582 -1.861 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.698 1.389 -1.893 1.00 0.00 C ATOM 0 H PHE A 90 2.010 -2.670 3.385 1.00 0.00 H new ATOM 0 HA PHE A 90 2.073 0.049 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.144 -1.805 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.568 -2.240 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.191 0.335 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.561 -0.978 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.495 1.956 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.866 0.641 -2.648 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.830 2.088 -2.705 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.766 -1.258 1.938 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.133 -0.934 1.567 1.00 0.00 C ATOM 1341 C ILE A 91 -2.741 -0.016 2.629 1.00 0.00 C ATOM 1342 O ILE A 91 -3.307 1.027 2.303 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.939 -2.212 1.325 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.427 -2.957 0.090 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.435 -1.907 1.231 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.518 -2.077 -1.158 1.00 0.00 C ATOM 0 H ILE A 91 -0.556 -2.256 1.962 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.153 -0.388 0.624 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.798 -2.872 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.393 -3.264 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.010 -3.866 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.985 -2.832 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.773 -1.452 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.615 -1.219 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.148 -2.630 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.556 -1.792 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.915 -1.181 -1.016 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.604 -0.437 3.878 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.132 0.335 4.990 1.00 0.00 C ATOM 1360 C GLN A 92 -2.665 1.789 4.897 1.00 0.00 C ATOM 1361 O GLN A 92 -3.458 2.712 5.076 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.730 -0.286 6.329 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.744 -1.343 6.771 1.00 0.00 C ATOM 1364 CD GLN A 92 -3.530 -2.657 6.015 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -2.671 -3.459 6.343 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -4.357 -2.831 4.989 1.00 0.00 N ATOM 0 H GLN A 92 -2.135 -1.303 4.144 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.220 0.320 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.742 -0.739 6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.658 0.493 7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.650 -1.516 7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.756 -0.978 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.054 -2.119 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.295 -3.676 4.422 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.380 1.947 4.617 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.797 3.273 4.498 1.00 0.00 C ATOM 1377 C LEU A 93 -1.377 3.971 3.267 1.00 0.00 C ATOM 1378 O LEU A 93 -1.782 5.130 3.339 1.00 0.00 O ATOM 1379 CB LEU A 93 0.731 3.189 4.496 1.00 0.00 C ATOM 1380 CG LEU A 93 1.456 4.196 3.601 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.747 4.684 4.261 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.709 3.610 2.210 1.00 0.00 C ATOM 0 H LEU A 93 -0.726 1.179 4.469 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.057 3.883 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.084 3.322 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.020 2.184 4.187 1.00 0.00 H new ATOM 0 HG LEU A 93 0.811 5.065 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.244 5.399 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.511 5.166 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.408 3.836 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.225 4.346 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.325 2.715 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.757 3.351 1.746 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.397 3.236 2.164 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.920 3.771 0.918 1.00 0.00 C ATOM 1396 C LEU A 94 -3.374 4.201 1.124 1.00 0.00 C ATOM 1397 O LEU A 94 -3.710 5.371 0.943 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.732 2.763 -0.218 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.676 2.915 -1.412 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.221 4.051 -2.330 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.823 1.592 -2.166 1.00 0.00 C ATOM 0 H LEU A 94 -1.060 2.275 2.108 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.363 4.660 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.706 2.839 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.852 1.759 0.190 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.663 3.182 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.909 4.137 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.210 4.987 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.219 3.839 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.499 1.727 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.847 1.271 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.227 0.834 -1.495 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.197 3.233 1.499 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.607 3.498 1.730 1.00 0.00 C ATOM 1415 C VAL A 95 -5.751 4.762 2.580 1.00 0.00 C ATOM 1416 O VAL A 95 -6.655 5.565 2.355 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.272 2.273 2.363 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.693 2.599 2.825 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.267 1.087 1.397 1.00 0.00 C ATOM 0 H VAL A 95 -3.915 2.264 1.649 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.122 3.680 0.787 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.691 1.992 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.143 1.712 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.661 3.400 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.289 2.918 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.745 0.230 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.813 1.353 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.239 0.832 1.139 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.847 4.899 3.539 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.862 6.051 4.423 1.00 0.00 C ATOM 1431 C ARG A 96 -4.641 7.337 3.623 1.00 0.00 C ATOM 1432 O ARG A 96 -5.344 8.326 3.824 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.780 5.935 5.498 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.401 5.717 6.880 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.342 5.824 7.979 1.00 0.00 C ATOM 1436 NE ARG A 96 -3.996 5.984 9.297 1.00 0.00 N ATOM 1437 CZ ARG A 96 -3.365 6.398 10.404 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -2.059 6.697 10.359 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.039 6.514 11.557 1.00 0.00 N ATOM 0 H ARG A 96 -4.099 4.230 3.723 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.838 6.084 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.113 5.106 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.173 6.840 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.184 6.455 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.874 4.736 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.716 4.932 7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.687 6.673 7.783 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.990 5.765 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.546 6.609 9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.579 7.012 11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.033 6.287 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.558 6.829 12.399 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.661 7.281 2.734 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.338 8.429 1.903 1.00 0.00 C ATOM 1455 C LYS A 97 -4.467 8.657 0.895 1.00 0.00 C ATOM 1456 O LYS A 97 -4.768 9.797 0.543 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.963 8.252 1.256 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.857 8.237 2.313 1.00 0.00 C ATOM 1459 CD LYS A 97 0.182 7.157 2.004 1.00 0.00 C ATOM 1460 CE LYS A 97 1.413 7.309 2.899 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.860 8.720 2.931 1.00 0.00 N ATOM 0 H LYS A 97 -3.080 6.459 2.571 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.265 9.331 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.941 7.322 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.783 9.061 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.372 9.213 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.291 8.058 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.259 6.171 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.479 7.222 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.179 6.972 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.219 6.674 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.861 8.761 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.746 9.142 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.287 9.250 3.618 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.061 7.555 0.461 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.150 7.621 -0.499 1.00 0.00 C ATOM 1477 C LEU A 98 -7.372 8.258 0.166 1.00 0.00 C ATOM 1478 O LEU A 98 -7.923 9.232 -0.345 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.424 6.239 -1.094 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.258 5.586 -1.840 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.749 4.447 -2.735 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.458 6.628 -2.625 1.00 0.00 C ATOM 0 H LEU A 98 -4.809 6.612 0.756 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.877 8.257 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.732 5.573 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.267 6.321 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.583 5.149 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.901 4.000 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.240 3.690 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.456 4.838 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.635 6.138 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.109 7.115 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.059 7.374 -1.938 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.759 7.683 1.294 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.905 8.182 2.034 1.00 0.00 C ATOM 1496 C ARG A 99 -8.786 9.693 2.243 1.00 0.00 C ATOM 1497 O ARG A 99 -9.722 10.438 1.960 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.024 7.494 3.396 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.687 6.122 3.260 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.158 5.151 4.318 1.00 0.00 C ATOM 1501 NE ARG A 99 -9.853 3.849 4.203 1.00 0.00 N ATOM 1502 CZ ARG A 99 -9.969 2.969 5.206 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -9.437 3.244 6.405 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.618 1.812 5.011 1.00 0.00 N ATOM 0 H ARG A 99 -7.299 6.875 1.714 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.798 7.962 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.034 7.382 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.607 8.118 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.767 6.224 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.498 5.720 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.084 5.012 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.310 5.567 5.314 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.269 3.607 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.943 4.124 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.526 2.573 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.023 1.602 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.706 1.142 5.775 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.625 10.100 2.736 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.371 11.509 2.985 1.00 0.00 C ATOM 1520 C GLY A 100 -6.159 11.997 2.188 1.00 0.00 C ATOM 1521 O GLY A 100 -5.020 11.839 2.624 1.00 0.00 O ATOM 0 H GLY A 100 -6.850 9.479 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.249 12.094 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.199 11.669 4.049 1.00 0.00 H new ATOM 1525 N ASP A 101 -6.447 12.580 1.034 1.00 0.00 N ATOM 1526 CA ASP A 101 -5.395 13.092 0.172 1.00 0.00 C ATOM 1527 C ASP A 101 -5.678 14.560 -0.154 1.00 0.00 C ATOM 1528 O ASP A 101 -6.787 14.907 -0.557 1.00 0.00 O ATOM 1529 CB ASP A 101 -5.338 12.318 -1.147 1.00 0.00 C ATOM 1530 CG ASP A 101 -4.006 12.412 -1.894 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -2.969 12.178 -1.238 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -4.056 12.716 -3.106 1.00 0.00 O ATOM 0 H ASP A 101 -7.393 12.709 0.676 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.446 12.982 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.551 11.268 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.130 12.684 -1.800 1.00 0.00 H new ATOM 1537 N ASP A 102 -4.657 15.382 0.033 1.00 0.00 N ATOM 1538 CA ASP A 102 -4.782 16.805 -0.236 1.00 0.00 C ATOM 1539 C ASP A 102 -3.387 17.430 -0.309 1.00 0.00 C ATOM 1540 O ASP A 102 -2.728 17.608 0.715 1.00 0.00 O ATOM 1541 CB ASP A 102 -5.558 17.509 0.878 1.00 0.00 C ATOM 1542 CG ASP A 102 -5.275 16.994 2.291 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -5.706 15.856 2.576 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -4.633 17.749 3.052 1.00 0.00 O ATOM 0 H ASP A 102 -3.739 15.090 0.368 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.316 16.925 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.328 18.574 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.624 17.407 0.677 1.00 0.00 H new ATOM 1549 N GLU A 103 -2.979 17.747 -1.529 1.00 0.00 N ATOM 1550 CA GLU A 103 -1.675 18.348 -1.749 1.00 0.00 C ATOM 1551 C GLU A 103 -1.385 19.397 -0.672 1.00 0.00 C ATOM 1552 O GLU A 103 -2.119 20.376 -0.542 1.00 0.00 O ATOM 1553 CB GLU A 103 -1.581 18.959 -3.148 1.00 0.00 C ATOM 1554 CG GLU A 103 -1.088 17.928 -4.165 1.00 0.00 C ATOM 1555 CD GLU A 103 -1.447 18.349 -5.591 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -2.662 18.419 -5.873 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -0.497 18.591 -6.367 1.00 0.00 O ATOM 0 H GLU A 103 -3.529 17.599 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.920 17.565 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.558 19.335 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.902 19.812 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.008 17.813 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.531 16.956 -3.947 1.00 0.00 H new ATOM 1564 N GLU A 104 -0.315 19.156 0.071 1.00 0.00 N ATOM 1565 CA GLU A 104 0.079 20.067 1.132 1.00 0.00 C ATOM 1566 C GLU A 104 1.400 20.754 0.777 1.00 0.00 C ATOM 1567 O GLU A 104 1.448 21.973 0.623 1.00 0.00 O ATOM 1568 CB GLU A 104 0.184 19.337 2.472 1.00 0.00 C ATOM 1569 CG GLU A 104 -1.030 19.634 3.354 1.00 0.00 C ATOM 1570 CD GLU A 104 -0.891 18.964 4.723 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -0.604 17.747 4.732 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -1.074 19.683 5.728 1.00 0.00 O ATOM 0 H GLU A 104 0.291 18.343 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.691 20.832 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.259 18.263 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.095 19.642 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.136 20.711 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.936 19.280 2.862 1.00 0.00 H new ATOM 1579 N SER A 105 2.439 19.941 0.658 1.00 0.00 N ATOM 1580 CA SER A 105 3.757 20.455 0.324 1.00 0.00 C ATOM 1581 C SER A 105 3.917 20.539 -1.195 1.00 0.00 C ATOM 1582 O SER A 105 3.590 19.593 -1.911 1.00 0.00 O ATOM 1583 CB SER A 105 4.858 19.579 0.926 1.00 0.00 C ATOM 1584 OG SER A 105 4.952 18.316 0.274 1.00 0.00 O ATOM 0 H SER A 105 2.395 18.930 0.787 1.00 0.00 H new ATOM 0 HA SER A 105 3.852 21.455 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.814 20.097 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.660 19.425 1.987 1.00 0.00 H new ATOM 0 HG SER A 105 5.667 17.788 0.686 1.00 0.00 H new ATOM 1590 N GLY A 106 4.419 21.680 -1.643 1.00 0.00 N ATOM 1591 CA GLY A 106 4.626 21.900 -3.064 1.00 0.00 C ATOM 1592 C GLY A 106 3.736 23.034 -3.579 1.00 0.00 C ATOM 1593 O GLY A 106 3.045 23.688 -2.799 1.00 0.00 O ATOM 0 H GLY A 106 4.689 22.462 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.673 22.141 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.408 20.984 -3.613 1.00 0.00 H new ATOM 1597 N PRO A 107 3.784 23.237 -4.923 1.00 0.00 N ATOM 1598 CA PRO A 107 2.991 24.280 -5.551 1.00 0.00 C ATOM 1599 C PRO A 107 1.517 23.876 -5.628 1.00 0.00 C ATOM 1600 O PRO A 107 1.195 22.689 -5.653 1.00 0.00 O ATOM 1601 CB PRO A 107 3.623 24.486 -6.917 1.00 0.00 C ATOM 1602 CG PRO A 107 4.449 23.238 -7.187 1.00 0.00 C ATOM 1603 CD PRO A 107 4.590 22.481 -5.877 1.00 0.00 C ATOM 0 HA PRO A 107 2.993 25.210 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.860 24.623 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.249 25.378 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.964 22.614 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.429 23.507 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.233 21.456 -5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.632 22.428 -5.561 1.00 0.00 H new ATOM 1611 N SER A 108 0.661 24.887 -5.665 1.00 0.00 N ATOM 1612 CA SER A 108 -0.771 24.652 -5.740 1.00 0.00 C ATOM 1613 C SER A 108 -1.110 23.887 -7.021 1.00 0.00 C ATOM 1614 O SER A 108 -0.409 24.008 -8.024 1.00 0.00 O ATOM 1615 CB SER A 108 -1.549 25.969 -5.686 1.00 0.00 C ATOM 1616 OG SER A 108 -1.945 26.301 -4.358 1.00 0.00 O ATOM 0 H SER A 108 0.932 25.870 -5.644 1.00 0.00 H new ATOM 0 HA SER A 108 -1.065 24.052 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.933 26.771 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.433 25.894 -6.320 1.00 0.00 H new ATOM 0 HG SER A 108 -2.437 27.148 -4.366 1.00 0.00 H new ATOM 1622 N SER A 109 -2.186 23.118 -6.945 1.00 0.00 N ATOM 1623 CA SER A 109 -2.627 22.334 -8.086 1.00 0.00 C ATOM 1624 C SER A 109 -1.650 21.184 -8.340 1.00 0.00 C ATOM 1625 O SER A 109 -2.007 20.016 -8.190 1.00 0.00 O ATOM 1626 CB SER A 109 -2.756 23.205 -9.337 1.00 0.00 C ATOM 1627 OG SER A 109 -3.572 22.594 -10.332 1.00 0.00 O ATOM 0 H SER A 109 -2.765 23.021 -6.111 1.00 0.00 H new ATOM 0 HA SER A 109 -3.611 21.924 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.180 24.171 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.765 23.397 -9.749 1.00 0.00 H new ATOM 0 HG SER A 109 -3.631 23.182 -11.114 1.00 0.00 H new ATOM 1633 N GLY A 110 -0.435 21.554 -8.719 1.00 0.00 N ATOM 1634 CA GLY A 110 0.596 20.568 -8.995 1.00 0.00 C ATOM 1635 C GLY A 110 1.245 20.820 -10.357 1.00 0.00 C ATOM 1636 O GLY A 110 2.395 20.445 -10.580 1.00 0.00 O ATOM 0 H GLY A 110 -0.142 22.523 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 110 1.356 20.603 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.163 19.568 -8.974 1.00 0.00 H new TER 1640 GLY A 110