USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -105:sc= 1.79 USER MOD Set 1.2: A 55 THR OG1 : rot -86:sc= 1.72 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc=-0.00882 (180deg=-0.345) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 94:sc= -0.366 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-6.5!) USER MOD Single : A 25 SER OG : rot 179:sc= -0.774 USER MOD Single : A 28 SER OG : rot 180:sc= -0.241 USER MOD Single : A 37 ASN : amide:sc= -4.36! C(o=-4.4!,f=-7.5!) USER MOD Single : A 39 HIS : no HE2:sc= -3.77! C(o=-3.8!,f=-5.5!) USER MOD Single : A 41 SER OG : rot 10:sc= -3.23! USER MOD Single : A 42 GLN : amide:sc= -4.92! C(o=-4.9!,f=-6.7!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.108 K(o=0.11,f=-1.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0867 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.554 -22.431 11.407 1.00 0.00 N ATOM 2 CA GLY A 1 -22.432 -21.407 10.384 1.00 0.00 C ATOM 3 C GLY A 1 -21.276 -20.454 10.696 1.00 0.00 C ATOM 4 O GLY A 1 -21.346 -19.678 11.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.345 -23.064 11.172 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.673 -22.981 11.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.732 -21.982 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.270 -21.875 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.363 -20.844 10.315 1.00 0.00 H new ATOM 8 N SER A 2 -20.238 -20.545 9.877 1.00 0.00 N ATOM 9 CA SER A 2 -19.069 -19.701 10.054 1.00 0.00 C ATOM 10 C SER A 2 -18.432 -19.398 8.696 1.00 0.00 C ATOM 11 O SER A 2 -18.712 -20.077 7.709 1.00 0.00 O ATOM 12 CB SER A 2 -18.049 -20.362 10.983 1.00 0.00 C ATOM 13 OG SER A 2 -17.328 -19.403 11.752 1.00 0.00 O ATOM 0 H SER A 2 -20.183 -21.191 9.089 1.00 0.00 H new ATOM 0 HA SER A 2 -19.388 -18.766 10.515 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.562 -21.052 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.349 -20.953 10.392 1.00 0.00 H new ATOM 0 HG SER A 2 -16.688 -19.864 12.334 1.00 0.00 H new ATOM 19 N SER A 3 -17.587 -18.378 8.689 1.00 0.00 N ATOM 20 CA SER A 3 -16.908 -17.976 7.469 1.00 0.00 C ATOM 21 C SER A 3 -15.472 -17.552 7.784 1.00 0.00 C ATOM 22 O SER A 3 -14.523 -18.093 7.218 1.00 0.00 O ATOM 23 CB SER A 3 -17.656 -16.839 6.771 1.00 0.00 C ATOM 24 OG SER A 3 -17.373 -16.791 5.375 1.00 0.00 O ATOM 0 H SER A 3 -17.357 -17.817 9.509 1.00 0.00 H new ATOM 0 HA SER A 3 -16.888 -18.830 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.728 -16.966 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.381 -15.889 7.229 1.00 0.00 H new ATOM 0 HG SER A 3 -17.871 -16.053 4.965 1.00 0.00 H new ATOM 30 N GLY A 4 -15.358 -16.588 8.686 1.00 0.00 N ATOM 31 CA GLY A 4 -14.054 -16.086 9.083 1.00 0.00 C ATOM 32 C GLY A 4 -13.054 -17.231 9.255 1.00 0.00 C ATOM 33 O GLY A 4 -13.369 -18.247 9.873 1.00 0.00 O ATOM 0 H GLY A 4 -16.147 -16.142 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.686 -15.387 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.143 -15.533 10.018 1.00 0.00 H new ATOM 37 N SER A 5 -11.869 -17.028 8.698 1.00 0.00 N ATOM 38 CA SER A 5 -10.821 -18.031 8.782 1.00 0.00 C ATOM 39 C SER A 5 -9.460 -17.390 8.507 1.00 0.00 C ATOM 40 O SER A 5 -9.150 -17.049 7.366 1.00 0.00 O ATOM 41 CB SER A 5 -11.076 -19.178 7.802 1.00 0.00 C ATOM 42 OG SER A 5 -10.105 -20.213 7.927 1.00 0.00 O ATOM 0 H SER A 5 -11.611 -16.184 8.187 1.00 0.00 H new ATOM 0 HA SER A 5 -10.823 -18.444 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.070 -19.590 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.066 -18.793 6.782 1.00 0.00 H new ATOM 0 HG SER A 5 -10.304 -20.927 7.286 1.00 0.00 H new ATOM 48 N SER A 6 -8.683 -17.245 9.570 1.00 0.00 N ATOM 49 CA SER A 6 -7.362 -16.651 9.457 1.00 0.00 C ATOM 50 C SER A 6 -6.291 -17.690 9.795 1.00 0.00 C ATOM 51 O SER A 6 -6.446 -18.463 10.739 1.00 0.00 O ATOM 52 CB SER A 6 -7.227 -15.432 10.372 1.00 0.00 C ATOM 53 OG SER A 6 -7.409 -15.771 11.744 1.00 0.00 O ATOM 0 H SER A 6 -8.943 -17.529 10.514 1.00 0.00 H new ATOM 0 HA SER A 6 -7.223 -16.317 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.242 -14.985 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.961 -14.680 10.084 1.00 0.00 H new ATOM 0 HG SER A 6 -7.313 -14.966 12.295 1.00 0.00 H new ATOM 59 N GLY A 7 -5.227 -17.674 9.005 1.00 0.00 N ATOM 60 CA GLY A 7 -4.130 -18.605 9.209 1.00 0.00 C ATOM 61 C GLY A 7 -2.788 -17.955 8.864 1.00 0.00 C ATOM 62 O GLY A 7 -2.749 -16.832 8.363 1.00 0.00 O ATOM 0 H GLY A 7 -5.101 -17.031 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.120 -18.939 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.279 -19.490 8.590 1.00 0.00 H new ATOM 66 N THR A 8 -1.722 -18.689 9.145 1.00 0.00 N ATOM 67 CA THR A 8 -0.382 -18.198 8.871 1.00 0.00 C ATOM 68 C THR A 8 -0.105 -16.927 9.675 1.00 0.00 C ATOM 69 O THR A 8 -1.031 -16.289 10.174 1.00 0.00 O ATOM 70 CB THR A 8 -0.251 -18.002 7.359 1.00 0.00 C ATOM 71 OG1 THR A 8 0.997 -18.610 7.037 1.00 0.00 O ATOM 72 CG2 THR A 8 -0.060 -16.534 6.974 1.00 0.00 C ATOM 0 H THR A 8 -1.759 -19.620 9.560 1.00 0.00 H new ATOM 0 HA THR A 8 0.375 -18.916 9.187 1.00 0.00 H new ATOM 0 HB THR A 8 -1.139 -18.395 6.864 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.161 -18.530 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.028 -16.450 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.918 -15.954 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.846 -16.150 7.442 1.00 0.00 H new ATOM 80 N PRO A 9 1.208 -16.588 9.779 1.00 0.00 N ATOM 81 CA PRO A 9 1.619 -15.404 10.514 1.00 0.00 C ATOM 82 C PRO A 9 1.318 -14.132 9.719 1.00 0.00 C ATOM 83 O PRO A 9 2.217 -13.542 9.121 1.00 0.00 O ATOM 84 CB PRO A 9 3.103 -15.601 10.780 1.00 0.00 C ATOM 85 CG PRO A 9 3.567 -16.656 9.789 1.00 0.00 C ATOM 86 CD PRO A 9 2.332 -17.319 9.202 1.00 0.00 C ATOM 0 HA PRO A 9 1.073 -15.280 11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.651 -14.669 10.644 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.276 -15.926 11.806 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.167 -16.202 9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.198 -17.394 10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.328 -17.256 8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.290 -18.377 9.460 1.00 0.00 H new ATOM 94 N PHE A 10 0.050 -13.748 9.736 1.00 0.00 N ATOM 95 CA PHE A 10 -0.381 -12.557 9.024 1.00 0.00 C ATOM 96 C PHE A 10 -0.048 -12.659 7.534 1.00 0.00 C ATOM 97 O PHE A 10 0.779 -13.477 7.133 1.00 0.00 O ATOM 98 CB PHE A 10 0.383 -11.375 9.625 1.00 0.00 C ATOM 99 CG PHE A 10 0.301 -11.293 11.150 1.00 0.00 C ATOM 100 CD1 PHE A 10 -0.826 -10.819 11.746 1.00 0.00 C ATOM 101 CD2 PHE A 10 1.355 -11.693 11.910 1.00 0.00 C ATOM 102 CE1 PHE A 10 -0.902 -10.742 13.162 1.00 0.00 C ATOM 103 CE2 PHE A 10 1.279 -11.617 13.326 1.00 0.00 C ATOM 104 CZ PHE A 10 0.153 -11.143 13.922 1.00 0.00 C ATOM 0 H PHE A 10 -0.693 -14.241 10.232 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.460 -12.436 9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.430 -11.445 9.331 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.006 -10.450 9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.663 -10.501 11.142 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.250 -12.069 11.437 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.797 -10.365 13.635 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.116 -11.936 13.929 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.096 -11.085 14.999 1.00 0.00 H new ATOM 114 N ARG A 11 -0.709 -11.816 6.753 1.00 0.00 N ATOM 115 CA ARG A 11 -0.493 -11.802 5.316 1.00 0.00 C ATOM 116 C ARG A 11 0.283 -10.548 4.909 1.00 0.00 C ATOM 117 O ARG A 11 0.525 -9.668 5.734 1.00 0.00 O ATOM 118 CB ARG A 11 -1.823 -11.838 4.560 1.00 0.00 C ATOM 119 CG ARG A 11 -2.008 -13.177 3.843 1.00 0.00 C ATOM 120 CD ARG A 11 -2.526 -12.968 2.418 1.00 0.00 C ATOM 121 NE ARG A 11 -3.756 -13.763 2.205 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.968 -13.404 2.648 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.121 -12.261 3.331 1.00 0.00 N ATOM 124 NH2 ARG A 11 -6.028 -14.187 2.408 1.00 0.00 N ATOM 0 H ARG A 11 -1.394 -11.138 7.088 1.00 0.00 H new ATOM 0 HA ARG A 11 0.084 -12.690 5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.646 -11.677 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.856 -11.025 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.059 -13.712 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.708 -13.799 4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.732 -11.911 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.763 -13.263 1.698 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.676 -14.639 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.314 -11.664 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.044 -11.988 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.912 -15.057 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.951 -13.914 2.745 1.00 0.00 H new ATOM 138 N LYS A 12 0.652 -10.506 3.637 1.00 0.00 N ATOM 139 CA LYS A 12 1.396 -9.375 3.110 1.00 0.00 C ATOM 140 C LYS A 12 0.758 -8.917 1.797 1.00 0.00 C ATOM 141 O LYS A 12 -0.173 -9.550 1.302 1.00 0.00 O ATOM 142 CB LYS A 12 2.881 -9.721 2.985 1.00 0.00 C ATOM 143 CG LYS A 12 3.455 -10.171 4.330 1.00 0.00 C ATOM 144 CD LYS A 12 4.613 -11.152 4.132 1.00 0.00 C ATOM 145 CE LYS A 12 5.512 -11.194 5.369 1.00 0.00 C ATOM 146 NZ LYS A 12 6.502 -12.289 5.253 1.00 0.00 N ATOM 0 H LYS A 12 0.449 -11.238 2.956 1.00 0.00 H new ATOM 0 HA LYS A 12 1.346 -8.532 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.013 -10.512 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.431 -8.852 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.801 -9.303 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.672 -10.642 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.220 -12.148 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.199 -10.858 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.027 -10.240 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.905 -11.338 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.104 -12.304 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.005 -13.198 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.093 -12.135 4.411 1.00 0.00 H new ATOM 160 N ALA A 13 1.286 -7.822 1.270 1.00 0.00 N ATOM 161 CA ALA A 13 0.780 -7.273 0.024 1.00 0.00 C ATOM 162 C ALA A 13 1.866 -6.416 -0.629 1.00 0.00 C ATOM 163 O ALA A 13 2.619 -5.730 0.061 1.00 0.00 O ATOM 164 CB ALA A 13 -0.501 -6.482 0.297 1.00 0.00 C ATOM 0 H ALA A 13 2.059 -7.300 1.683 1.00 0.00 H new ATOM 0 HA ALA A 13 0.527 -8.072 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.881 -6.070 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.250 -7.142 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.286 -5.669 0.991 1.00 0.00 H new ATOM 170 N LYS A 14 1.912 -6.482 -1.952 1.00 0.00 N ATOM 171 CA LYS A 14 2.893 -5.721 -2.706 1.00 0.00 C ATOM 172 C LYS A 14 2.188 -4.591 -3.458 1.00 0.00 C ATOM 173 O LYS A 14 1.134 -4.802 -4.057 1.00 0.00 O ATOM 174 CB LYS A 14 3.709 -6.646 -3.610 1.00 0.00 C ATOM 175 CG LYS A 14 4.548 -5.841 -4.605 1.00 0.00 C ATOM 176 CD LYS A 14 5.059 -6.732 -5.739 1.00 0.00 C ATOM 177 CE LYS A 14 3.973 -6.955 -6.793 1.00 0.00 C ATOM 178 NZ LYS A 14 3.775 -5.731 -7.600 1.00 0.00 N ATOM 0 H LYS A 14 1.285 -7.051 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 14 3.613 -5.255 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.362 -7.272 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.040 -7.315 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.949 -5.029 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.392 -5.384 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.932 -6.272 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.381 -7.692 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.253 -7.784 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.038 -7.232 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.279 -5.973 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.208 -5.047 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.699 -5.312 -7.827 1.00 0.00 H new ATOM 192 N ALA A 15 2.797 -3.416 -3.402 1.00 0.00 N ATOM 193 CA ALA A 15 2.240 -2.252 -4.071 1.00 0.00 C ATOM 194 C ALA A 15 2.419 -2.403 -5.583 1.00 0.00 C ATOM 195 O ALA A 15 3.514 -2.707 -6.054 1.00 0.00 O ATOM 196 CB ALA A 15 2.904 -0.985 -3.529 1.00 0.00 C ATOM 0 H ALA A 15 3.670 -3.245 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 15 1.171 -2.171 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.486 -0.112 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.722 -0.909 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.978 -1.030 -3.713 1.00 0.00 H new ATOM 202 N LEU A 16 1.328 -2.184 -6.301 1.00 0.00 N ATOM 203 CA LEU A 16 1.351 -2.293 -7.750 1.00 0.00 C ATOM 204 C LEU A 16 1.964 -1.022 -8.342 1.00 0.00 C ATOM 205 O LEU A 16 2.787 -1.092 -9.254 1.00 0.00 O ATOM 206 CB LEU A 16 -0.047 -2.608 -8.286 1.00 0.00 C ATOM 207 CG LEU A 16 -0.632 -3.962 -7.877 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.133 -4.021 -8.169 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.127 -5.111 -8.544 1.00 0.00 C ATOM 0 H LEU A 16 0.422 -1.931 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 16 1.981 -3.127 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.728 -1.825 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.016 -2.561 -9.375 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.508 -4.077 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.524 -4.993 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.643 -3.237 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.302 -3.875 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.309 -6.062 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.057 -5.013 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.174 -5.078 -8.244 1.00 0.00 H new ATOM 221 N TYR A 17 1.541 0.110 -7.799 1.00 0.00 N ATOM 222 CA TYR A 17 2.038 1.394 -8.262 1.00 0.00 C ATOM 223 C TYR A 17 2.434 2.286 -7.084 1.00 0.00 C ATOM 224 O TYR A 17 1.841 2.201 -6.010 1.00 0.00 O ATOM 225 CB TYR A 17 0.878 2.049 -9.015 1.00 0.00 C ATOM 226 CG TYR A 17 0.181 1.121 -10.013 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.832 0.286 -9.587 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.566 1.119 -11.338 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.488 -0.587 -10.526 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.090 0.246 -12.277 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.084 -0.564 -11.824 1.00 0.00 C ATOM 232 OH TYR A 17 -1.704 -1.389 -12.711 1.00 0.00 O ATOM 0 H TYR A 17 0.859 0.164 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 17 2.920 1.261 -8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.144 2.405 -8.292 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.252 2.924 -9.548 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.133 0.287 -8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.359 1.772 -11.671 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.283 -1.245 -10.206 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.201 0.235 -13.317 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.313 -1.265 -13.601 1.00 0.00 H new ATOM 242 N ALA A 18 3.433 3.122 -7.325 1.00 0.00 N ATOM 243 CA ALA A 18 3.915 4.029 -6.298 1.00 0.00 C ATOM 244 C ALA A 18 2.830 5.062 -5.985 1.00 0.00 C ATOM 245 O ALA A 18 2.266 5.670 -6.894 1.00 0.00 O ATOM 246 CB ALA A 18 5.221 4.678 -6.761 1.00 0.00 C ATOM 0 H ALA A 18 3.922 3.190 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 18 4.129 3.486 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.582 5.359 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.968 3.905 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.045 5.234 -7.682 1.00 0.00 H new ATOM 252 N CYS A 19 2.569 5.228 -4.697 1.00 0.00 N ATOM 253 CA CYS A 19 1.561 6.176 -4.253 1.00 0.00 C ATOM 254 C CYS A 19 2.169 7.040 -3.147 1.00 0.00 C ATOM 255 O CYS A 19 3.004 6.571 -2.376 1.00 0.00 O ATOM 256 CB CYS A 19 0.285 5.470 -3.790 1.00 0.00 C ATOM 257 SG CYS A 19 -1.186 6.391 -4.371 1.00 0.00 S ATOM 0 H CYS A 19 3.038 4.722 -3.946 1.00 0.00 H new ATOM 0 HA CYS A 19 1.263 6.812 -5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.263 4.451 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.273 5.398 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.594 5.890 -5.499 1.00 0.00 H new ATOM 263 N LYS A 20 1.726 8.288 -3.105 1.00 0.00 N ATOM 264 CA LYS A 20 2.216 9.223 -2.106 1.00 0.00 C ATOM 265 C LYS A 20 1.043 9.715 -1.255 1.00 0.00 C ATOM 266 O LYS A 20 0.143 10.383 -1.761 1.00 0.00 O ATOM 267 CB LYS A 20 3.010 10.350 -2.770 1.00 0.00 C ATOM 268 CG LYS A 20 3.468 11.381 -1.736 1.00 0.00 C ATOM 269 CD LYS A 20 3.197 12.805 -2.224 1.00 0.00 C ATOM 270 CE LYS A 20 4.457 13.427 -2.829 1.00 0.00 C ATOM 271 NZ LYS A 20 4.885 14.602 -2.038 1.00 0.00 N ATOM 0 H LYS A 20 1.033 8.674 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 20 2.914 8.728 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.877 9.935 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.394 10.837 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.948 11.211 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.533 11.256 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.400 12.793 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.848 13.418 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.258 12.688 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.264 13.725 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.741 15.013 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.126 15.313 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.089 14.308 -1.062 1.00 0.00 H new ATOM 285 N ALA A 21 1.093 9.365 0.022 1.00 0.00 N ATOM 286 CA ALA A 21 0.045 9.763 0.947 1.00 0.00 C ATOM 287 C ALA A 21 -0.194 11.269 0.823 1.00 0.00 C ATOM 288 O ALA A 21 0.481 11.947 0.050 1.00 0.00 O ATOM 289 CB ALA A 21 0.436 9.350 2.368 1.00 0.00 C ATOM 0 H ALA A 21 1.842 8.811 0.438 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.891 9.260 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.349 9.648 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.566 8.269 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.370 9.839 2.645 1.00 0.00 H new ATOM 295 N GLU A 22 -1.158 11.748 1.596 1.00 0.00 N ATOM 296 CA GLU A 22 -1.495 13.162 1.582 1.00 0.00 C ATOM 297 C GLU A 22 -2.391 13.505 2.774 1.00 0.00 C ATOM 298 O GLU A 22 -2.210 14.541 3.412 1.00 0.00 O ATOM 299 CB GLU A 22 -2.164 13.553 0.262 1.00 0.00 C ATOM 300 CG GLU A 22 -1.186 14.298 -0.648 1.00 0.00 C ATOM 301 CD GLU A 22 -1.654 15.734 -0.895 1.00 0.00 C ATOM 302 OE1 GLU A 22 -2.131 16.352 0.082 1.00 0.00 O ATOM 303 OE2 GLU A 22 -1.523 16.182 -2.054 1.00 0.00 O ATOM 0 H GLU A 22 -1.716 11.183 2.236 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.573 13.737 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.528 12.659 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.031 14.182 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.195 14.307 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.095 13.772 -1.599 1.00 0.00 H new ATOM 310 N HIS A 23 -3.338 12.617 3.037 1.00 0.00 N ATOM 311 CA HIS A 23 -4.262 12.814 4.141 1.00 0.00 C ATOM 312 C HIS A 23 -3.490 12.819 5.462 1.00 0.00 C ATOM 313 O HIS A 23 -3.107 13.878 5.956 1.00 0.00 O ATOM 314 CB HIS A 23 -5.376 11.766 4.109 1.00 0.00 C ATOM 315 CG HIS A 23 -6.369 11.890 5.241 1.00 0.00 C ATOM 316 ND1 HIS A 23 -6.006 11.778 6.572 1.00 0.00 N ATOM 317 CD2 HIS A 23 -7.713 12.119 5.226 1.00 0.00 C ATOM 318 CE1 HIS A 23 -7.092 11.933 7.316 1.00 0.00 C ATOM 319 NE2 HIS A 23 -8.149 12.144 6.480 1.00 0.00 N ATOM 0 H HIS A 23 -3.486 11.759 2.505 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.751 13.783 4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.909 11.846 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.928 10.773 4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.320 12.257 4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.133 11.898 8.395 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.115 12.296 6.770 1.00 0.00 H new ATOM 327 N ASP A 24 -3.286 11.624 5.996 1.00 0.00 N ATOM 328 CA ASP A 24 -2.567 11.478 7.250 1.00 0.00 C ATOM 329 C ASP A 24 -2.474 9.994 7.609 1.00 0.00 C ATOM 330 O ASP A 24 -1.391 9.490 7.906 1.00 0.00 O ATOM 331 CB ASP A 24 -3.294 12.195 8.389 1.00 0.00 C ATOM 332 CG ASP A 24 -2.451 12.439 9.642 1.00 0.00 C ATOM 333 OD1 ASP A 24 -2.189 11.443 10.351 1.00 0.00 O ATOM 334 OD2 ASP A 24 -2.089 13.614 9.863 1.00 0.00 O ATOM 0 H ASP A 24 -3.606 10.748 5.583 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.576 11.915 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.657 13.155 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.170 11.608 8.667 1.00 0.00 H new ATOM 339 N SER A 25 -3.622 9.335 7.570 1.00 0.00 N ATOM 340 CA SER A 25 -3.684 7.918 7.888 1.00 0.00 C ATOM 341 C SER A 25 -3.065 7.100 6.753 1.00 0.00 C ATOM 342 O SER A 25 -2.439 6.069 6.996 1.00 0.00 O ATOM 343 CB SER A 25 -5.126 7.472 8.138 1.00 0.00 C ATOM 344 OG SER A 25 -5.216 6.072 8.386 1.00 0.00 O ATOM 0 H SER A 25 -4.518 9.756 7.323 1.00 0.00 H new ATOM 0 HA SER A 25 -3.116 7.747 8.803 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.532 8.018 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.739 7.727 7.274 1.00 0.00 H new ATOM 0 HG SER A 25 -6.150 5.830 8.558 1.00 0.00 H new ATOM 350 N GLU A 26 -3.261 7.590 5.537 1.00 0.00 N ATOM 351 CA GLU A 26 -2.730 6.917 4.364 1.00 0.00 C ATOM 352 C GLU A 26 -1.227 6.678 4.524 1.00 0.00 C ATOM 353 O GLU A 26 -0.592 7.265 5.398 1.00 0.00 O ATOM 354 CB GLU A 26 -3.026 7.715 3.093 1.00 0.00 C ATOM 355 CG GLU A 26 -4.533 7.869 2.881 1.00 0.00 C ATOM 356 CD GLU A 26 -4.835 8.463 1.503 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.212 7.984 0.530 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.682 9.381 1.454 1.00 0.00 O ATOM 0 H GLU A 26 -3.780 8.445 5.339 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.224 5.950 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.562 8.699 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.584 7.213 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.018 6.898 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.949 8.511 3.657 1.00 0.00 H new ATOM 365 N LEU A 27 -0.703 5.814 3.667 1.00 0.00 N ATOM 366 CA LEU A 27 0.713 5.490 3.702 1.00 0.00 C ATOM 367 C LEU A 27 1.339 5.813 2.344 1.00 0.00 C ATOM 368 O LEU A 27 0.636 5.911 1.340 1.00 0.00 O ATOM 369 CB LEU A 27 0.920 4.041 4.147 1.00 0.00 C ATOM 370 CG LEU A 27 0.286 3.652 5.484 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.232 2.132 5.644 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.011 4.326 6.651 1.00 0.00 C ATOM 0 H LEU A 27 -1.234 5.328 2.944 1.00 0.00 H new ATOM 0 HA LEU A 27 1.226 6.102 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.521 3.384 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.991 3.850 4.206 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.743 4.013 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.223 1.883 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.362 1.702 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.243 1.726 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.541 4.033 7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.056 4.017 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.953 5.409 6.539 1.00 0.00 H new ATOM 384 N SER A 28 2.655 5.968 2.357 1.00 0.00 N ATOM 385 CA SER A 28 3.384 6.278 1.139 1.00 0.00 C ATOM 386 C SER A 28 4.439 5.202 0.873 1.00 0.00 C ATOM 387 O SER A 28 5.133 4.767 1.791 1.00 0.00 O ATOM 388 CB SER A 28 4.042 7.656 1.226 1.00 0.00 C ATOM 389 OG SER A 28 3.194 8.614 1.853 1.00 0.00 O ATOM 0 H SER A 28 3.235 5.885 3.192 1.00 0.00 H new ATOM 0 HA SER A 28 2.675 6.296 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.975 7.578 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.298 7.999 0.224 1.00 0.00 H new ATOM 0 HG SER A 28 3.651 9.480 1.891 1.00 0.00 H new ATOM 395 N PHE A 29 4.526 4.802 -0.387 1.00 0.00 N ATOM 396 CA PHE A 29 5.484 3.785 -0.786 1.00 0.00 C ATOM 397 C PHE A 29 5.705 3.803 -2.299 1.00 0.00 C ATOM 398 O PHE A 29 5.220 4.697 -2.991 1.00 0.00 O ATOM 399 CB PHE A 29 4.893 2.432 -0.384 1.00 0.00 C ATOM 400 CG PHE A 29 3.393 2.304 -0.652 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.950 1.966 -1.893 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.501 2.528 0.350 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.557 1.847 -2.142 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.108 2.409 0.101 1.00 0.00 C ATOM 405 CZ PHE A 29 0.666 2.071 -1.140 1.00 0.00 C ATOM 0 H PHE A 29 3.948 5.164 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 29 6.444 3.969 -0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.417 1.643 -0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.077 2.268 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.658 1.788 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.852 2.796 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.205 1.579 -3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.400 2.587 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.393 1.981 -1.330 1.00 0.00 H new ATOM 415 N THR A 30 6.437 2.804 -2.770 1.00 0.00 N ATOM 416 CA THR A 30 6.728 2.693 -4.189 1.00 0.00 C ATOM 417 C THR A 30 6.402 1.285 -4.692 1.00 0.00 C ATOM 418 O THR A 30 6.479 0.319 -3.936 1.00 0.00 O ATOM 419 CB THR A 30 8.189 3.092 -4.405 1.00 0.00 C ATOM 420 OG1 THR A 30 8.922 2.179 -3.594 1.00 0.00 O ATOM 421 CG2 THR A 30 8.515 4.464 -3.810 1.00 0.00 C ATOM 0 H THR A 30 6.837 2.064 -2.194 1.00 0.00 H new ATOM 0 HA THR A 30 6.102 3.366 -4.775 1.00 0.00 H new ATOM 0 HB THR A 30 8.410 3.097 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.881 2.366 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.564 4.699 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.887 5.222 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.326 4.449 -2.737 1.00 0.00 H new ATOM 429 N ALA A 31 6.045 1.215 -5.966 1.00 0.00 N ATOM 430 CA ALA A 31 5.707 -0.059 -6.579 1.00 0.00 C ATOM 431 C ALA A 31 6.746 -1.106 -6.175 1.00 0.00 C ATOM 432 O ALA A 31 7.947 -0.843 -6.219 1.00 0.00 O ATOM 433 CB ALA A 31 5.613 0.114 -8.097 1.00 0.00 C ATOM 0 H ALA A 31 5.982 2.019 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 31 4.735 -0.407 -6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.360 -0.841 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.841 0.846 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.572 0.460 -8.484 1.00 0.00 H new ATOM 439 N GLY A 32 6.247 -2.271 -5.790 1.00 0.00 N ATOM 440 CA GLY A 32 7.117 -3.359 -5.378 1.00 0.00 C ATOM 441 C GLY A 32 7.219 -3.433 -3.854 1.00 0.00 C ATOM 442 O GLY A 32 7.695 -4.427 -3.307 1.00 0.00 O ATOM 0 H GLY A 32 5.250 -2.485 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.734 -4.303 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.109 -3.218 -5.806 1.00 0.00 H new ATOM 446 N THR A 33 6.765 -2.367 -3.210 1.00 0.00 N ATOM 447 CA THR A 33 6.800 -2.298 -1.759 1.00 0.00 C ATOM 448 C THR A 33 5.856 -3.339 -1.153 1.00 0.00 C ATOM 449 O THR A 33 4.657 -3.330 -1.429 1.00 0.00 O ATOM 450 CB THR A 33 6.467 -0.863 -1.346 1.00 0.00 C ATOM 451 OG1 THR A 33 7.578 -0.101 -1.813 1.00 0.00 O ATOM 452 CG2 THR A 33 6.494 -0.669 0.172 1.00 0.00 C ATOM 0 H THR A 33 6.371 -1.544 -3.667 1.00 0.00 H new ATOM 0 HA THR A 33 7.791 -2.541 -1.375 1.00 0.00 H new ATOM 0 HB THR A 33 5.482 -0.594 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.485 0.057 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.251 0.366 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.762 -1.330 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.488 -0.905 0.551 1.00 0.00 H new ATOM 460 N VAL A 34 6.432 -4.210 -0.338 1.00 0.00 N ATOM 461 CA VAL A 34 5.657 -5.255 0.309 1.00 0.00 C ATOM 462 C VAL A 34 5.277 -4.803 1.720 1.00 0.00 C ATOM 463 O VAL A 34 6.146 -4.457 2.520 1.00 0.00 O ATOM 464 CB VAL A 34 6.437 -6.571 0.293 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.949 -7.512 1.397 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.349 -7.244 -1.079 1.00 0.00 C ATOM 0 H VAL A 34 7.426 -4.214 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 34 4.730 -5.435 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 34 7.485 -6.341 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.520 -8.440 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.087 -7.036 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.892 -7.731 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.912 -8.177 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.306 -7.453 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.767 -6.581 -1.837 1.00 0.00 H new ATOM 476 N PHE A 35 3.979 -4.819 1.983 1.00 0.00 N ATOM 477 CA PHE A 35 3.474 -4.415 3.284 1.00 0.00 C ATOM 478 C PHE A 35 3.337 -5.619 4.218 1.00 0.00 C ATOM 479 O PHE A 35 2.774 -6.644 3.837 1.00 0.00 O ATOM 480 CB PHE A 35 2.090 -3.802 3.056 1.00 0.00 C ATOM 481 CG PHE A 35 2.083 -2.631 2.071 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.370 -1.375 2.506 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.790 -2.847 0.760 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.363 -0.289 1.591 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.784 -1.761 -0.154 1.00 0.00 C ATOM 486 CZ PHE A 35 2.070 -0.504 0.281 1.00 0.00 C ATOM 0 H PHE A 35 3.261 -5.105 1.317 1.00 0.00 H new ATOM 0 HA PHE A 35 4.162 -3.707 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.417 -4.577 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.693 -3.462 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.603 -1.204 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.562 -3.845 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.591 0.709 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.552 -1.933 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.064 0.323 -0.414 1.00 0.00 H new ATOM 496 N ASP A 36 3.862 -5.455 5.423 1.00 0.00 N ATOM 497 CA ASP A 36 3.806 -6.516 6.415 1.00 0.00 C ATOM 498 C ASP A 36 2.458 -6.463 7.136 1.00 0.00 C ATOM 499 O ASP A 36 1.972 -5.384 7.472 1.00 0.00 O ATOM 500 CB ASP A 36 4.909 -6.351 7.461 1.00 0.00 C ATOM 501 CG ASP A 36 6.140 -7.235 7.248 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.574 -7.331 6.080 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.619 -7.794 8.258 1.00 0.00 O ATOM 0 H ASP A 36 4.328 -4.603 5.735 1.00 0.00 H new ATOM 0 HA ASP A 36 3.938 -7.467 5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.226 -5.308 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.491 -6.566 8.445 1.00 0.00 H new ATOM 508 N ASN A 37 1.892 -7.641 7.353 1.00 0.00 N ATOM 509 CA ASN A 37 0.610 -7.743 8.029 1.00 0.00 C ATOM 510 C ASN A 37 -0.401 -6.827 7.336 1.00 0.00 C ATOM 511 O ASN A 37 -0.570 -5.674 7.728 1.00 0.00 O ATOM 512 CB ASN A 37 0.721 -7.303 9.490 1.00 0.00 C ATOM 513 CG ASN A 37 -0.216 -8.121 10.382 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.168 -8.734 9.928 1.00 0.00 O ATOM 515 ND2 ASN A 37 0.104 -8.094 11.672 1.00 0.00 N ATOM 0 H ASN A 37 2.298 -8.534 7.072 1.00 0.00 H new ATOM 0 HA ASN A 37 0.290 -8.784 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.749 -7.421 9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.477 -6.244 9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.461 -8.607 12.349 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.915 -7.560 11.985 1.00 0.00 H new ATOM 522 N VAL A 38 -1.046 -7.375 6.317 1.00 0.00 N ATOM 523 CA VAL A 38 -2.036 -6.622 5.565 1.00 0.00 C ATOM 524 C VAL A 38 -3.428 -7.184 5.858 1.00 0.00 C ATOM 525 O VAL A 38 -3.576 -8.373 6.136 1.00 0.00 O ATOM 526 CB VAL A 38 -1.685 -6.639 4.076 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.820 -6.044 3.239 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.369 -5.905 3.814 1.00 0.00 C ATOM 0 H VAL A 38 -0.903 -8.332 5.994 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.037 -5.576 5.873 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.554 -7.678 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.545 -6.068 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.728 -6.627 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.996 -5.013 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.143 -5.932 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.459 -4.869 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.435 -6.390 4.368 1.00 0.00 H new ATOM 538 N HIS A 39 -4.414 -6.302 5.786 1.00 0.00 N ATOM 539 CA HIS A 39 -5.790 -6.695 6.040 1.00 0.00 C ATOM 540 C HIS A 39 -6.738 -5.627 5.491 1.00 0.00 C ATOM 541 O HIS A 39 -6.315 -4.513 5.185 1.00 0.00 O ATOM 542 CB HIS A 39 -6.009 -6.974 7.528 1.00 0.00 C ATOM 543 CG HIS A 39 -6.404 -5.758 8.330 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.708 -5.301 8.408 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.653 -4.909 9.089 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.729 -4.225 9.180 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.454 -3.983 9.601 1.00 0.00 N ATOM 0 H HIS A 39 -4.288 -5.316 5.555 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.008 -7.627 5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.783 -7.734 7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.093 -7.391 7.947 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.516 -5.722 7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.587 -4.979 9.247 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.602 -3.642 9.432 1.00 0.00 H new ATOM 555 N PRO A 40 -8.038 -6.013 5.381 1.00 0.00 N ATOM 556 CA PRO A 40 -9.050 -5.102 4.875 1.00 0.00 C ATOM 557 C PRO A 40 -9.416 -4.051 5.925 1.00 0.00 C ATOM 558 O PRO A 40 -10.009 -4.376 6.953 1.00 0.00 O ATOM 559 CB PRO A 40 -10.222 -5.990 4.490 1.00 0.00 C ATOM 560 CG PRO A 40 -10.006 -7.305 5.221 1.00 0.00 C ATOM 561 CD PRO A 40 -8.575 -7.324 5.734 1.00 0.00 C ATOM 0 HA PRO A 40 -8.705 -4.526 4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.169 -5.534 4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.258 -6.144 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.709 -7.402 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.183 -8.147 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.542 -7.488 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.999 -8.126 5.272 1.00 0.00 H new ATOM 569 N SER A 41 -9.047 -2.813 5.631 1.00 0.00 N ATOM 570 CA SER A 41 -9.329 -1.713 6.537 1.00 0.00 C ATOM 571 C SER A 41 -10.840 -1.552 6.710 1.00 0.00 C ATOM 572 O SER A 41 -11.611 -2.422 6.307 1.00 0.00 O ATOM 573 CB SER A 41 -8.711 -0.409 6.029 1.00 0.00 C ATOM 574 OG SER A 41 -8.449 0.507 7.089 1.00 0.00 O ATOM 0 H SER A 41 -8.555 -2.547 4.778 1.00 0.00 H new ATOM 0 HA SER A 41 -8.882 -1.943 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.782 -0.629 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.384 0.054 5.308 1.00 0.00 H new ATOM 0 HG SER A 41 -8.573 0.055 7.950 1.00 0.00 H new ATOM 580 N GLN A 42 -11.219 -0.433 7.311 1.00 0.00 N ATOM 581 CA GLN A 42 -12.624 -0.147 7.543 1.00 0.00 C ATOM 582 C GLN A 42 -13.220 0.594 6.344 1.00 0.00 C ATOM 583 O GLN A 42 -14.421 0.508 6.090 1.00 0.00 O ATOM 584 CB GLN A 42 -12.816 0.653 8.832 1.00 0.00 C ATOM 585 CG GLN A 42 -12.008 1.952 8.796 1.00 0.00 C ATOM 586 CD GLN A 42 -12.926 3.172 8.899 1.00 0.00 C ATOM 587 OE1 GLN A 42 -14.070 3.157 8.477 1.00 0.00 O ATOM 588 NE2 GLN A 42 -12.361 4.226 9.482 1.00 0.00 N ATOM 0 H GLN A 42 -10.577 0.286 7.644 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.152 -1.093 7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.873 0.882 8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.507 0.052 9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.291 1.961 9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.434 2.002 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.398 4.170 9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.891 5.090 9.598 1.00 0.00 H new ATOM 597 N GLU A 43 -12.353 1.305 5.638 1.00 0.00 N ATOM 598 CA GLU A 43 -12.778 2.061 4.472 1.00 0.00 C ATOM 599 C GLU A 43 -13.117 1.113 3.320 1.00 0.00 C ATOM 600 O GLU A 43 -12.634 -0.017 3.279 1.00 0.00 O ATOM 601 CB GLU A 43 -11.709 3.072 4.054 1.00 0.00 C ATOM 602 CG GLU A 43 -11.952 4.431 4.712 1.00 0.00 C ATOM 603 CD GLU A 43 -12.102 4.287 6.228 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.091 3.924 6.867 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.225 4.544 6.714 1.00 0.00 O ATOM 0 H GLU A 43 -11.358 1.374 5.851 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.677 2.620 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.723 2.700 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.713 3.183 2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.123 5.101 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.851 4.885 4.295 1.00 0.00 H new ATOM 612 N PRO A 44 -13.968 1.622 2.389 1.00 0.00 N ATOM 613 CA PRO A 44 -14.378 0.833 1.239 1.00 0.00 C ATOM 614 C PRO A 44 -13.250 0.740 0.209 1.00 0.00 C ATOM 615 O PRO A 44 -12.907 1.731 -0.433 1.00 0.00 O ATOM 616 CB PRO A 44 -15.616 1.533 0.703 1.00 0.00 C ATOM 617 CG PRO A 44 -15.585 2.938 1.282 1.00 0.00 C ATOM 618 CD PRO A 44 -14.561 2.956 2.406 1.00 0.00 C ATOM 0 HA PRO A 44 -14.603 -0.202 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.608 1.560 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.522 1.007 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.320 3.662 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.569 3.218 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.807 3.726 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.031 3.168 3.366 1.00 0.00 H new ATOM 626 N GLY A 45 -12.705 -0.462 0.083 1.00 0.00 N ATOM 627 CA GLY A 45 -11.624 -0.697 -0.859 1.00 0.00 C ATOM 628 C GLY A 45 -10.322 -0.063 -0.368 1.00 0.00 C ATOM 629 O GLY A 45 -9.621 0.598 -1.134 1.00 0.00 O ATOM 0 H GLY A 45 -12.992 -1.282 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.482 -1.769 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.889 -0.285 -1.833 1.00 0.00 H new ATOM 633 N TRP A 46 -10.036 -0.285 0.907 1.00 0.00 N ATOM 634 CA TRP A 46 -8.830 0.257 1.509 1.00 0.00 C ATOM 635 C TRP A 46 -8.271 -0.791 2.473 1.00 0.00 C ATOM 636 O TRP A 46 -8.963 -1.227 3.391 1.00 0.00 O ATOM 637 CB TRP A 46 -9.110 1.601 2.184 1.00 0.00 C ATOM 638 CG TRP A 46 -9.312 2.760 1.205 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.467 3.255 0.740 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.277 3.552 0.585 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.254 4.305 -0.130 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.879 4.491 -0.228 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.879 3.477 0.706 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.161 5.426 -0.981 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.174 4.419 -0.053 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.766 5.371 -0.876 1.00 0.00 C ATOM 0 H TRP A 46 -10.619 -0.833 1.540 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.079 0.465 0.747 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.000 1.505 2.806 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.281 1.841 2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.442 2.879 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.972 4.845 -0.612 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.387 2.750 1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.656 6.151 -1.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.096 4.405 0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.152 6.065 -1.432 1.00 0.00 H new ATOM 657 N LEU A 47 -7.023 -1.165 2.231 1.00 0.00 N ATOM 658 CA LEU A 47 -6.363 -2.153 3.067 1.00 0.00 C ATOM 659 C LEU A 47 -5.632 -1.444 4.209 1.00 0.00 C ATOM 660 O LEU A 47 -5.235 -0.288 4.073 1.00 0.00 O ATOM 661 CB LEU A 47 -5.457 -3.051 2.221 1.00 0.00 C ATOM 662 CG LEU A 47 -6.142 -3.819 1.089 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.128 -4.645 0.294 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.287 -4.681 1.626 1.00 0.00 C ATOM 0 H LEU A 47 -6.452 -0.802 1.468 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.097 -2.817 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.668 -2.435 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.974 -3.771 2.881 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.578 -3.095 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.641 -5.181 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.378 -3.983 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.642 -5.361 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.757 -5.216 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.895 -5.398 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.025 -4.043 2.112 1.00 0.00 H new ATOM 676 N GLU A 48 -5.477 -2.166 5.308 1.00 0.00 N ATOM 677 CA GLU A 48 -4.801 -1.621 6.473 1.00 0.00 C ATOM 678 C GLU A 48 -3.677 -2.556 6.922 1.00 0.00 C ATOM 679 O GLU A 48 -3.929 -3.563 7.582 1.00 0.00 O ATOM 680 CB GLU A 48 -5.791 -1.367 7.612 1.00 0.00 C ATOM 681 CG GLU A 48 -5.175 -0.464 8.683 1.00 0.00 C ATOM 682 CD GLU A 48 -6.258 0.307 9.440 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.265 -0.339 9.803 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.055 1.524 9.638 1.00 0.00 O ATOM 0 H GLU A 48 -5.808 -3.125 5.417 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.360 -0.663 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.695 -0.904 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.088 -2.316 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.596 -1.067 9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.482 0.237 8.218 1.00 0.00 H new ATOM 691 N GLY A 49 -2.460 -2.191 6.546 1.00 0.00 N ATOM 692 CA GLY A 49 -1.297 -2.985 6.901 1.00 0.00 C ATOM 693 C GLY A 49 -0.135 -2.091 7.338 1.00 0.00 C ATOM 694 O GLY A 49 -0.283 -0.872 7.423 1.00 0.00 O ATOM 0 H GLY A 49 -2.255 -1.355 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.554 -3.673 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.993 -3.592 6.048 1.00 0.00 H new ATOM 698 N THR A 50 0.995 -2.730 7.604 1.00 0.00 N ATOM 699 CA THR A 50 2.181 -2.008 8.030 1.00 0.00 C ATOM 700 C THR A 50 3.246 -2.035 6.932 1.00 0.00 C ATOM 701 O THR A 50 3.453 -3.063 6.289 1.00 0.00 O ATOM 702 CB THR A 50 2.655 -2.616 9.352 1.00 0.00 C ATOM 703 OG1 THR A 50 1.535 -2.473 10.221 1.00 0.00 O ATOM 704 CG2 THR A 50 3.753 -1.784 10.019 1.00 0.00 C ATOM 0 H THR A 50 1.114 -3.741 7.533 1.00 0.00 H new ATOM 0 HA THR A 50 1.962 -0.954 8.200 1.00 0.00 H new ATOM 0 HB THR A 50 3.022 -3.627 9.175 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.702 -1.743 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.053 -2.259 10.953 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.613 -1.716 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.375 -0.783 10.227 1.00 0.00 H new ATOM 712 N LEU A 51 3.892 -0.893 6.750 1.00 0.00 N ATOM 713 CA LEU A 51 4.931 -0.773 5.741 1.00 0.00 C ATOM 714 C LEU A 51 6.284 -1.122 6.364 1.00 0.00 C ATOM 715 O LEU A 51 6.896 -2.127 6.005 1.00 0.00 O ATOM 716 CB LEU A 51 4.890 0.612 5.093 1.00 0.00 C ATOM 717 CG LEU A 51 6.181 1.071 4.411 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.651 0.046 3.378 1.00 0.00 C ATOM 719 CD2 LEU A 51 6.013 2.464 3.801 1.00 0.00 C ATOM 0 H LEU A 51 3.716 -0.042 7.284 1.00 0.00 H new ATOM 0 HA LEU A 51 4.761 -1.483 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.089 0.622 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.627 1.342 5.859 1.00 0.00 H new ATOM 0 HG LEU A 51 6.960 1.143 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.570 0.397 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.837 -0.908 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.881 -0.083 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.945 2.767 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.215 2.443 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.760 3.177 4.586 1.00 0.00 H new ATOM 731 N ASN A 52 6.712 -0.272 7.285 1.00 0.00 N ATOM 732 CA ASN A 52 7.982 -0.477 7.961 1.00 0.00 C ATOM 733 C ASN A 52 7.852 -0.045 9.423 1.00 0.00 C ATOM 734 O ASN A 52 8.621 0.789 9.898 1.00 0.00 O ATOM 735 CB ASN A 52 9.090 0.359 7.318 1.00 0.00 C ATOM 736 CG ASN A 52 10.371 -0.462 7.154 1.00 0.00 C ATOM 737 OD1 ASN A 52 11.133 -0.664 8.085 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.564 -0.922 5.921 1.00 0.00 N ATOM 0 H ASN A 52 6.202 0.561 7.579 1.00 0.00 H new ATOM 0 HA ASN A 52 8.238 -1.534 7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.759 0.721 6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.292 1.236 7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.390 -1.481 5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.886 -0.716 5.188 1.00 0.00 H new ATOM 745 N GLY A 53 6.874 -0.633 10.096 1.00 0.00 N ATOM 746 CA GLY A 53 6.634 -0.319 11.494 1.00 0.00 C ATOM 747 C GLY A 53 5.524 0.724 11.640 1.00 0.00 C ATOM 748 O GLY A 53 5.116 1.050 12.753 1.00 0.00 O ATOM 0 H GLY A 53 6.239 -1.325 9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.358 -1.226 12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.551 0.055 11.949 1.00 0.00 H new ATOM 752 N LYS A 54 5.067 1.218 10.498 1.00 0.00 N ATOM 753 CA LYS A 54 4.012 2.217 10.484 1.00 0.00 C ATOM 754 C LYS A 54 2.756 1.618 9.848 1.00 0.00 C ATOM 755 O LYS A 54 2.841 0.911 8.846 1.00 0.00 O ATOM 756 CB LYS A 54 4.496 3.498 9.801 1.00 0.00 C ATOM 757 CG LYS A 54 3.837 4.732 10.420 1.00 0.00 C ATOM 758 CD LYS A 54 2.556 5.104 9.670 1.00 0.00 C ATOM 759 CE LYS A 54 2.622 6.542 9.152 1.00 0.00 C ATOM 760 NZ LYS A 54 3.520 6.630 7.979 1.00 0.00 N ATOM 0 H LYS A 54 5.408 0.945 9.576 1.00 0.00 H new ATOM 0 HA LYS A 54 3.748 2.506 11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.579 3.576 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.268 3.455 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.606 4.538 11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.533 5.571 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.407 4.419 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.697 4.991 10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.623 6.883 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.980 7.203 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.553 7.613 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.476 6.325 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.162 6.014 7.221 1.00 0.00 H new ATOM 774 N THR A 55 1.620 1.923 10.458 1.00 0.00 N ATOM 775 CA THR A 55 0.348 1.423 9.964 1.00 0.00 C ATOM 776 C THR A 55 -0.521 2.579 9.464 1.00 0.00 C ATOM 777 O THR A 55 -0.466 3.681 10.007 1.00 0.00 O ATOM 778 CB THR A 55 -0.307 0.610 11.082 1.00 0.00 C ATOM 779 OG1 THR A 55 0.535 -0.532 11.219 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.660 0.028 10.667 1.00 0.00 C ATOM 0 H THR A 55 1.554 2.510 11.290 1.00 0.00 H new ATOM 0 HA THR A 55 0.488 0.767 9.105 1.00 0.00 H new ATOM 0 HB THR A 55 -0.438 1.241 11.961 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.258 -1.221 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.082 -0.540 11.496 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.338 0.838 10.400 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.525 -0.630 9.809 1.00 0.00 H new ATOM 788 N GLY A 56 -1.303 2.287 8.435 1.00 0.00 N ATOM 789 CA GLY A 56 -2.183 3.288 7.856 1.00 0.00 C ATOM 790 C GLY A 56 -3.133 2.659 6.836 1.00 0.00 C ATOM 791 O GLY A 56 -3.302 1.441 6.808 1.00 0.00 O ATOM 0 H GLY A 56 -1.346 1.371 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.759 3.771 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.589 4.065 7.374 1.00 0.00 H new ATOM 795 N LEU A 57 -3.729 3.517 6.021 1.00 0.00 N ATOM 796 CA LEU A 57 -4.658 3.061 5.002 1.00 0.00 C ATOM 797 C LEU A 57 -3.907 2.872 3.682 1.00 0.00 C ATOM 798 O LEU A 57 -3.063 3.690 3.322 1.00 0.00 O ATOM 799 CB LEU A 57 -5.852 4.012 4.900 1.00 0.00 C ATOM 800 CG LEU A 57 -6.717 4.140 6.155 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.863 5.128 5.933 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.221 2.771 6.616 1.00 0.00 C ATOM 0 H LEU A 57 -3.586 4.527 6.046 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.076 2.092 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.481 5.002 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.486 3.680 4.078 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.097 4.541 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.462 5.200 6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.455 6.109 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.489 4.780 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.833 2.891 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.818 2.318 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.371 2.128 6.842 1.00 0.00 H new ATOM 814 N ILE A 58 -4.243 1.789 2.997 1.00 0.00 N ATOM 815 CA ILE A 58 -3.611 1.482 1.725 1.00 0.00 C ATOM 816 C ILE A 58 -4.691 1.182 0.683 1.00 0.00 C ATOM 817 O ILE A 58 -5.693 0.538 0.990 1.00 0.00 O ATOM 818 CB ILE A 58 -2.588 0.357 1.892 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.552 0.711 2.960 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.935 0.006 0.553 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.200 -0.512 3.809 1.00 0.00 C ATOM 0 H ILE A 58 -4.945 1.113 3.299 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.048 2.342 1.362 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.114 -0.533 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.652 1.099 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.940 1.503 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.212 -0.796 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.701 -0.320 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.426 0.884 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.462 -0.233 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.098 -0.883 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.789 -1.293 3.169 1.00 0.00 H new ATOM 833 N PRO A 59 -4.444 1.677 -0.559 1.00 0.00 N ATOM 834 CA PRO A 59 -5.384 1.469 -1.648 1.00 0.00 C ATOM 835 C PRO A 59 -5.310 0.032 -2.168 1.00 0.00 C ATOM 836 O PRO A 59 -4.262 -0.410 -2.636 1.00 0.00 O ATOM 837 CB PRO A 59 -5.004 2.501 -2.698 1.00 0.00 C ATOM 838 CG PRO A 59 -3.586 2.934 -2.363 1.00 0.00 C ATOM 839 CD PRO A 59 -3.269 2.445 -0.959 1.00 0.00 C ATOM 0 HA PRO A 59 -6.421 1.598 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.056 2.076 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.687 3.350 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.880 2.517 -3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.495 4.019 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.370 1.828 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.091 3.279 -0.280 1.00 0.00 H new ATOM 847 N GLU A 60 -6.437 -0.658 -2.069 1.00 0.00 N ATOM 848 CA GLU A 60 -6.514 -2.036 -2.523 1.00 0.00 C ATOM 849 C GLU A 60 -6.270 -2.111 -4.032 1.00 0.00 C ATOM 850 O GLU A 60 -5.888 -3.159 -4.550 1.00 0.00 O ATOM 851 CB GLU A 60 -7.861 -2.661 -2.153 1.00 0.00 C ATOM 852 CG GLU A 60 -8.140 -3.903 -3.001 1.00 0.00 C ATOM 853 CD GLU A 60 -9.120 -4.841 -2.294 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.192 -4.342 -1.890 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.775 -6.036 -2.173 1.00 0.00 O ATOM 0 H GLU A 60 -7.305 -0.288 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.735 -2.609 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.864 -2.929 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.657 -1.931 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.549 -3.604 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.206 -4.429 -3.200 1.00 0.00 H new ATOM 862 N ASN A 61 -6.501 -0.987 -4.693 1.00 0.00 N ATOM 863 CA ASN A 61 -6.312 -0.913 -6.132 1.00 0.00 C ATOM 864 C ASN A 61 -4.871 -0.495 -6.431 1.00 0.00 C ATOM 865 O ASN A 61 -4.572 -0.022 -7.527 1.00 0.00 O ATOM 866 CB ASN A 61 -7.245 0.125 -6.758 1.00 0.00 C ATOM 867 CG ASN A 61 -7.087 1.486 -6.077 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.594 1.730 -4.994 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.357 2.356 -6.769 1.00 0.00 N ATOM 0 H ASN A 61 -6.817 -0.120 -4.259 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.532 -1.894 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.028 0.219 -7.822 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.278 -0.211 -6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.193 3.292 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.961 2.087 -7.670 1.00 0.00 H new ATOM 876 N TYR A 62 -4.015 -0.683 -5.437 1.00 0.00 N ATOM 877 CA TYR A 62 -2.613 -0.331 -5.580 1.00 0.00 C ATOM 878 C TYR A 62 -1.715 -1.370 -4.904 1.00 0.00 C ATOM 879 O TYR A 62 -0.522 -1.137 -4.716 1.00 0.00 O ATOM 880 CB TYR A 62 -2.440 1.013 -4.870 1.00 0.00 C ATOM 881 CG TYR A 62 -1.992 2.150 -5.790 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.749 2.482 -6.895 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.831 2.843 -5.515 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.327 3.553 -7.761 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.409 3.913 -6.381 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.178 4.215 -7.461 1.00 0.00 C ATOM 887 OH TYR A 62 -0.779 5.226 -8.279 1.00 0.00 O ATOM 0 H TYR A 62 -4.266 -1.075 -4.529 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.335 -0.286 -6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.385 1.289 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.709 0.898 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.657 1.939 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.239 2.583 -4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.910 3.824 -8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.498 4.463 -6.177 1.00 0.00 H new ATOM 0 HH TYR A 62 0.058 5.609 -7.942 1.00 0.00 H new ATOM 897 N VAL A 63 -2.323 -2.495 -4.558 1.00 0.00 N ATOM 898 CA VAL A 63 -1.594 -3.571 -3.907 1.00 0.00 C ATOM 899 C VAL A 63 -1.893 -4.889 -4.623 1.00 0.00 C ATOM 900 O VAL A 63 -2.744 -4.940 -5.510 1.00 0.00 O ATOM 901 CB VAL A 63 -1.937 -3.608 -2.417 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.370 -2.385 -1.693 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.448 -3.719 -2.204 1.00 0.00 C ATOM 0 H VAL A 63 -3.313 -2.685 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.519 -3.401 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.472 -4.496 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.628 -2.436 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.286 -2.368 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.792 -1.478 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.664 -3.743 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.943 -2.859 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.815 -4.634 -2.669 1.00 0.00 H new ATOM 913 N GLU A 64 -1.178 -5.925 -4.210 1.00 0.00 N ATOM 914 CA GLU A 64 -1.356 -7.241 -4.800 1.00 0.00 C ATOM 915 C GLU A 64 -0.945 -8.329 -3.806 1.00 0.00 C ATOM 916 O GLU A 64 0.206 -8.762 -3.795 1.00 0.00 O ATOM 917 CB GLU A 64 -0.569 -7.367 -6.107 1.00 0.00 C ATOM 918 CG GLU A 64 -0.317 -8.835 -6.456 1.00 0.00 C ATOM 919 CD GLU A 64 -0.430 -9.067 -7.964 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.414 -8.500 -8.690 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.359 -9.806 -8.356 1.00 0.00 O ATOM 0 H GLU A 64 -0.474 -5.880 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.412 -7.372 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.120 -6.887 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.382 -6.843 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.675 -9.129 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.036 -9.466 -5.933 1.00 0.00 H new ATOM 928 N PHE A 65 -1.909 -8.739 -2.995 1.00 0.00 N ATOM 929 CA PHE A 65 -1.662 -9.768 -2.000 1.00 0.00 C ATOM 930 C PHE A 65 -0.772 -10.877 -2.566 1.00 0.00 C ATOM 931 O PHE A 65 -0.979 -11.330 -3.691 1.00 0.00 O ATOM 932 CB PHE A 65 -3.021 -10.363 -1.625 1.00 0.00 C ATOM 933 CG PHE A 65 -3.827 -9.506 -0.646 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.602 -9.608 0.691 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.768 -8.642 -1.114 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.350 -8.812 1.599 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.515 -7.847 -0.206 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.291 -7.949 1.131 1.00 0.00 C ATOM 0 H PHE A 65 -2.863 -8.377 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.154 -9.337 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.606 -10.507 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.866 -11.349 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.855 -10.294 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.947 -8.561 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.171 -8.892 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.262 -7.161 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.860 -7.345 1.822 1.00 0.00 H new ATOM 948 N LEU A 66 0.199 -11.281 -1.761 1.00 0.00 N ATOM 949 CA LEU A 66 1.121 -12.328 -2.167 1.00 0.00 C ATOM 950 C LEU A 66 0.634 -13.671 -1.621 1.00 0.00 C ATOM 951 O LEU A 66 0.148 -13.748 -0.494 1.00 0.00 O ATOM 952 CB LEU A 66 2.550 -11.976 -1.748 1.00 0.00 C ATOM 953 CG LEU A 66 2.964 -10.515 -1.939 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.526 -9.931 -0.641 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.944 -10.370 -3.105 1.00 0.00 C ATOM 0 H LEU A 66 0.368 -10.902 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 66 1.144 -12.414 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.673 -12.233 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.238 -12.605 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 66 2.075 -9.938 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.813 -8.892 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.766 -9.980 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.400 -10.505 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.222 -9.322 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.837 -10.963 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.472 -10.722 -4.023 1.00 0.00 H new ATOM 967 N SER A 67 0.780 -14.698 -2.446 1.00 0.00 N ATOM 968 CA SER A 67 0.361 -16.034 -2.060 1.00 0.00 C ATOM 969 C SER A 67 -1.154 -16.068 -1.853 1.00 0.00 C ATOM 970 O SER A 67 -1.710 -15.210 -1.168 1.00 0.00 O ATOM 971 CB SER A 67 1.081 -16.492 -0.790 1.00 0.00 C ATOM 972 OG SER A 67 2.145 -17.396 -1.075 1.00 0.00 O ATOM 0 H SER A 67 1.183 -14.631 -3.381 1.00 0.00 H new ATOM 0 HA SER A 67 0.627 -16.721 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.475 -15.623 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.366 -16.972 -0.122 1.00 0.00 H new ATOM 0 HG SER A 67 2.580 -17.663 -0.239 1.00 0.00 H new ATOM 978 N GLY A 68 -1.780 -17.068 -2.457 1.00 0.00 N ATOM 979 CA GLY A 68 -3.220 -17.224 -2.347 1.00 0.00 C ATOM 980 C GLY A 68 -3.830 -17.645 -3.686 1.00 0.00 C ATOM 981 O GLY A 68 -3.211 -18.387 -4.448 1.00 0.00 O ATOM 0 H GLY A 68 -1.316 -17.778 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.451 -17.970 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.667 -16.286 -2.019 1.00 0.00 H new ATOM 985 N PRO A 69 -5.067 -17.141 -3.938 1.00 0.00 N ATOM 986 CA PRO A 69 -5.767 -17.457 -5.172 1.00 0.00 C ATOM 987 C PRO A 69 -5.174 -16.684 -6.352 1.00 0.00 C ATOM 988 O PRO A 69 -5.684 -15.630 -6.728 1.00 0.00 O ATOM 989 CB PRO A 69 -7.220 -17.103 -4.901 1.00 0.00 C ATOM 990 CG PRO A 69 -7.206 -16.174 -3.698 1.00 0.00 C ATOM 991 CD PRO A 69 -5.830 -16.260 -3.059 1.00 0.00 C ATOM 0 HA PRO A 69 -5.672 -18.506 -5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.671 -16.616 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.808 -17.998 -4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.422 -15.150 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.977 -16.463 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.366 -15.277 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.888 -16.663 -2.048 1.00 0.00 H new ATOM 999 N SER A 70 -4.104 -17.239 -6.903 1.00 0.00 N ATOM 1000 CA SER A 70 -3.436 -16.616 -8.033 1.00 0.00 C ATOM 1001 C SER A 70 -3.386 -17.588 -9.213 1.00 0.00 C ATOM 1002 O SER A 70 -3.005 -18.746 -9.052 1.00 0.00 O ATOM 1003 CB SER A 70 -2.024 -16.165 -7.657 1.00 0.00 C ATOM 1004 OG SER A 70 -1.542 -15.140 -8.522 1.00 0.00 O ATOM 0 H SER A 70 -3.683 -18.113 -6.588 1.00 0.00 H new ATOM 0 HA SER A 70 -4.006 -15.733 -8.322 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.021 -15.803 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.348 -17.019 -7.696 1.00 0.00 H new ATOM 0 HG SER A 70 -0.638 -14.878 -8.248 1.00 0.00 H new ATOM 1010 N SER A 71 -3.777 -17.081 -10.373 1.00 0.00 N ATOM 1011 CA SER A 71 -3.782 -17.891 -11.580 1.00 0.00 C ATOM 1012 C SER A 71 -3.593 -16.999 -12.809 1.00 0.00 C ATOM 1013 O SER A 71 -4.444 -16.165 -13.112 1.00 0.00 O ATOM 1014 CB SER A 71 -5.080 -18.692 -11.700 1.00 0.00 C ATOM 1015 OG SER A 71 -5.346 -19.456 -10.527 1.00 0.00 O ATOM 0 H SER A 71 -4.093 -16.120 -10.503 1.00 0.00 H new ATOM 0 HA SER A 71 -2.955 -18.598 -11.521 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.911 -18.011 -11.885 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.017 -19.358 -12.560 1.00 0.00 H new ATOM 0 HG SER A 71 -6.183 -19.952 -10.642 1.00 0.00 H new ATOM 1021 N GLY A 72 -2.471 -17.206 -13.483 1.00 0.00 N ATOM 1022 CA GLY A 72 -2.159 -16.431 -14.672 1.00 0.00 C ATOM 1023 C GLY A 72 -0.877 -15.619 -14.477 1.00 0.00 C ATOM 1024 O GLY A 72 0.116 -16.134 -13.965 1.00 0.00 O ATOM 0 H GLY A 72 -1.767 -17.899 -13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.044 -17.099 -15.526 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.987 -15.760 -14.901 1.00 0.00 H new TER 1028 GLY A 72