USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 761 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 83 SER OG : rot 28:sc= 0.478 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.0378 USER MOD Set 2.1: A 36 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 42 MET CE :methyl -152:sc= -0.351 (180deg=-1.21!) USER MOD Set 3.2: A 49 THR OG1 : rot 170:sc= -0.16 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.052 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.03 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 HIS : no HD1:sc= -0.006 X(o=-0.006,f=-0.0055) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -120:sc= -0.262 (180deg=-3.23!) USER MOD Single : A 25 SER OG : rot 21:sc= 0.243 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 0:sc= 0.717 USER MOD Single : A 30 CYS SG : rot -139:sc= 1.65 USER MOD Single : A 33 SER OG : rot 160:sc= -0.115 USER MOD Single : A 34 HIS : no HE2:sc= -0.558 K(o=-0.56,f=-1.3) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 6:sc= 1.19 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc=-0.00407 (180deg=-0.751) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -5.67! C(o=-5.7!,f=-12!) USER MOD Single : A 59 THR OG1 : rot 15:sc= -0.171 USER MOD Single : A 61 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.3!) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= -0.918 (180deg=-2.86!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -0.0139 (180deg=-0.156) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -53:sc= 0.081 USER MOD Single : A 102 SER OG : rot -55:sc= 0.0649 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0396 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.691 21.289 -4.544 1.00 0.00 N ATOM 2 CA GLY A 1 9.014 22.328 -5.297 1.00 0.00 C ATOM 3 C GLY A 1 9.834 23.599 -5.399 1.00 0.00 C ATOM 4 O GLY A 1 11.060 23.564 -5.292 1.00 0.00 O ATOM 0 H1 GLY A 1 9.721 20.416 -5.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.661 21.594 -4.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.177 21.111 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.793 21.961 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.059 22.553 -4.822 1.00 0.00 H new ATOM 8 N SER A 2 9.157 24.723 -5.608 1.00 0.00 N ATOM 9 CA SER A 2 9.831 26.010 -5.730 1.00 0.00 C ATOM 10 C SER A 2 8.844 27.160 -5.552 1.00 0.00 C ATOM 11 O SER A 2 7.635 26.984 -5.706 1.00 0.00 O ATOM 12 CB SER A 2 10.521 26.121 -7.091 1.00 0.00 C ATOM 13 OG SER A 2 11.239 27.338 -7.200 1.00 0.00 O ATOM 0 H SER A 2 8.142 24.769 -5.696 1.00 0.00 H new ATOM 0 HA SER A 2 10.582 26.075 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.201 25.280 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.777 26.061 -7.886 1.00 0.00 H new ATOM 0 HG SER A 2 11.672 27.385 -8.078 1.00 0.00 H new ATOM 19 N SER A 3 9.369 28.337 -5.227 1.00 0.00 N ATOM 20 CA SER A 3 8.535 29.516 -5.024 1.00 0.00 C ATOM 21 C SER A 3 8.392 30.310 -6.319 1.00 0.00 C ATOM 22 O SER A 3 9.318 30.374 -7.126 1.00 0.00 O ATOM 23 CB SER A 3 9.129 30.405 -3.930 1.00 0.00 C ATOM 24 OG SER A 3 9.255 29.697 -2.710 1.00 0.00 O ATOM 0 H SER A 3 10.368 28.500 -5.099 1.00 0.00 H new ATOM 0 HA SER A 3 7.546 29.181 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.107 30.770 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.495 31.279 -3.783 1.00 0.00 H new ATOM 0 HG SER A 3 9.639 30.287 -2.028 1.00 0.00 H new ATOM 30 N GLY A 4 7.223 30.913 -6.510 1.00 0.00 N ATOM 31 CA GLY A 4 6.978 31.695 -7.709 1.00 0.00 C ATOM 32 C GLY A 4 5.676 31.321 -8.389 1.00 0.00 C ATOM 33 O GLY A 4 4.599 31.712 -7.940 1.00 0.00 O ATOM 0 H GLY A 4 6.441 30.874 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.958 32.754 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.803 31.552 -8.407 1.00 0.00 H new ATOM 37 N SER A 5 5.775 30.564 -9.477 1.00 0.00 N ATOM 38 CA SER A 5 4.596 30.142 -10.224 1.00 0.00 C ATOM 39 C SER A 5 3.727 29.209 -9.387 1.00 0.00 C ATOM 40 O SER A 5 4.166 28.687 -8.362 1.00 0.00 O ATOM 41 CB SER A 5 5.011 29.445 -11.521 1.00 0.00 C ATOM 42 OG SER A 5 5.271 30.388 -12.547 1.00 0.00 O ATOM 0 H SER A 5 6.659 30.230 -9.861 1.00 0.00 H new ATOM 0 HA SER A 5 4.013 31.030 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.901 28.841 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.222 28.764 -11.840 1.00 0.00 H new ATOM 0 HG SER A 5 5.536 29.917 -13.365 1.00 0.00 H new ATOM 48 N SER A 6 2.492 29.003 -9.832 1.00 0.00 N ATOM 49 CA SER A 6 1.558 28.136 -9.122 1.00 0.00 C ATOM 50 C SER A 6 1.943 26.669 -9.292 1.00 0.00 C ATOM 51 O SER A 6 2.545 26.286 -10.294 1.00 0.00 O ATOM 52 CB SER A 6 0.133 28.363 -9.628 1.00 0.00 C ATOM 53 OG SER A 6 -0.821 28.019 -8.638 1.00 0.00 O ATOM 0 H SER A 6 2.114 29.424 -10.681 1.00 0.00 H new ATOM 0 HA SER A 6 1.603 28.385 -8.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.007 29.408 -9.912 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.037 27.767 -10.524 1.00 0.00 H new ATOM 0 HG SER A 6 -1.724 28.175 -8.986 1.00 0.00 H new ATOM 59 N GLY A 7 1.590 25.853 -8.304 1.00 0.00 N ATOM 60 CA GLY A 7 1.906 24.437 -8.363 1.00 0.00 C ATOM 61 C GLY A 7 0.989 23.602 -7.491 1.00 0.00 C ATOM 62 O GLY A 7 1.186 23.510 -6.279 1.00 0.00 O ATOM 0 H GLY A 7 1.091 26.146 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.833 24.094 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.939 24.285 -8.049 1.00 0.00 H new ATOM 66 N HIS A 8 -0.019 22.993 -8.109 1.00 0.00 N ATOM 67 CA HIS A 8 -0.971 22.162 -7.381 1.00 0.00 C ATOM 68 C HIS A 8 -0.351 20.816 -7.017 1.00 0.00 C ATOM 69 O HIS A 8 -0.237 19.926 -7.860 1.00 0.00 O ATOM 70 CB HIS A 8 -2.234 21.946 -8.215 1.00 0.00 C ATOM 71 CG HIS A 8 -2.826 23.216 -8.745 1.00 0.00 C ATOM 72 ND1 HIS A 8 -3.494 23.289 -9.949 1.00 0.00 N ATOM 73 CD2 HIS A 8 -2.849 24.466 -8.227 1.00 0.00 C ATOM 74 CE1 HIS A 8 -3.901 24.530 -10.149 1.00 0.00 C ATOM 75 NE2 HIS A 8 -3.522 25.264 -9.119 1.00 0.00 N ATOM 0 H HIS A 8 -0.197 23.060 -9.111 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.237 22.680 -6.460 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.999 21.288 -9.051 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.979 21.434 -7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.418 24.778 -7.287 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.450 24.884 -11.009 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.700 26.262 -9.005 1.00 0.00 H new ATOM 84 N VAL A 9 0.050 20.675 -5.758 1.00 0.00 N ATOM 85 CA VAL A 9 0.659 19.439 -5.283 1.00 0.00 C ATOM 86 C VAL A 9 -0.197 18.230 -5.647 1.00 0.00 C ATOM 87 O VAL A 9 -1.338 18.108 -5.203 1.00 0.00 O ATOM 88 CB VAL A 9 0.868 19.465 -3.757 1.00 0.00 C ATOM 89 CG1 VAL A 9 1.492 18.163 -3.281 1.00 0.00 C ATOM 90 CG2 VAL A 9 1.728 20.655 -3.359 1.00 0.00 C ATOM 0 H VAL A 9 -0.036 21.402 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 9 1.629 19.356 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.104 19.570 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.632 18.200 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.835 17.331 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.457 18.023 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.866 20.659 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.699 20.582 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.236 21.578 -3.665 1.00 0.00 H new ATOM 100 N GLY A 10 0.363 17.338 -6.458 1.00 0.00 N ATOM 101 CA GLY A 10 -0.363 16.150 -6.867 1.00 0.00 C ATOM 102 C GLY A 10 0.501 14.904 -6.841 1.00 0.00 C ATOM 103 O GLY A 10 1.709 14.974 -7.070 1.00 0.00 O ATOM 0 H GLY A 10 1.306 17.417 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.220 16.008 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.754 16.296 -7.874 1.00 0.00 H new ATOM 107 N ILE A 11 -0.117 13.763 -6.559 1.00 0.00 N ATOM 108 CA ILE A 11 0.604 12.497 -6.502 1.00 0.00 C ATOM 109 C ILE A 11 1.487 12.312 -7.732 1.00 0.00 C ATOM 110 O ILE A 11 0.991 12.122 -8.843 1.00 0.00 O ATOM 111 CB ILE A 11 -0.362 11.303 -6.393 1.00 0.00 C ATOM 112 CG1 ILE A 11 -1.260 11.456 -5.164 1.00 0.00 C ATOM 113 CG2 ILE A 11 0.416 9.997 -6.329 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.507 11.391 -3.854 1.00 0.00 C ATOM 0 H ILE A 11 -1.116 13.689 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 11 1.229 12.530 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.994 11.283 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.786 12.409 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.018 10.672 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.280 9.162 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.017 9.887 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.070 10.005 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.207 11.507 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.003 10.428 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.232 12.191 -3.819 1.00 0.00 H new ATOM 126 N THR A 12 2.799 12.369 -7.526 1.00 0.00 N ATOM 127 CA THR A 12 3.751 12.207 -8.617 1.00 0.00 C ATOM 128 C THR A 12 3.986 10.733 -8.928 1.00 0.00 C ATOM 129 O THR A 12 4.053 10.336 -10.092 1.00 0.00 O ATOM 130 CB THR A 12 5.101 12.872 -8.288 1.00 0.00 C ATOM 131 OG1 THR A 12 5.932 12.897 -9.454 1.00 0.00 O ATOM 132 CG2 THR A 12 5.812 12.127 -7.168 1.00 0.00 C ATOM 0 H THR A 12 3.226 12.526 -6.613 1.00 0.00 H new ATOM 0 HA THR A 12 3.317 12.695 -9.490 1.00 0.00 H new ATOM 0 HB THR A 12 4.908 13.893 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.788 13.323 -9.237 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.763 12.615 -6.953 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.190 12.135 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.994 11.097 -7.474 1.00 0.00 H new ATOM 140 N LYS A 13 4.110 9.925 -7.881 1.00 0.00 N ATOM 141 CA LYS A 13 4.336 8.493 -8.041 1.00 0.00 C ATOM 142 C LYS A 13 3.164 7.692 -7.483 1.00 0.00 C ATOM 143 O LYS A 13 3.232 7.166 -6.372 1.00 0.00 O ATOM 144 CB LYS A 13 5.631 8.078 -7.339 1.00 0.00 C ATOM 145 CG LYS A 13 6.324 6.894 -7.990 1.00 0.00 C ATOM 146 CD LYS A 13 7.830 6.956 -7.801 1.00 0.00 C ATOM 147 CE LYS A 13 8.254 6.305 -6.494 1.00 0.00 C ATOM 148 NZ LYS A 13 9.628 5.736 -6.577 1.00 0.00 N ATOM 0 H LYS A 13 4.058 10.237 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 13 4.424 8.281 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.315 8.926 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.409 7.832 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.941 5.967 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.091 6.875 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.323 6.456 -8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.157 7.996 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.214 7.042 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.549 5.515 -6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.879 5.302 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.660 5.015 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.305 6.494 -6.797 1.00 0.00 H new ATOM 162 N ARG A 14 2.090 7.602 -8.261 1.00 0.00 N ATOM 163 CA ARG A 14 0.904 6.865 -7.845 1.00 0.00 C ATOM 164 C ARG A 14 1.247 5.410 -7.540 1.00 0.00 C ATOM 165 O ARG A 14 2.327 4.929 -7.888 1.00 0.00 O ATOM 166 CB ARG A 14 -0.171 6.930 -8.931 1.00 0.00 C ATOM 167 CG ARG A 14 -0.725 8.327 -9.157 1.00 0.00 C ATOM 168 CD ARG A 14 -1.465 8.425 -10.482 1.00 0.00 C ATOM 169 NE ARG A 14 -0.582 8.195 -11.622 1.00 0.00 N ATOM 170 CZ ARG A 14 -1.011 8.084 -12.874 1.00 0.00 C ATOM 171 NH1 ARG A 14 -2.305 8.182 -13.145 1.00 0.00 N ATOM 172 NH2 ARG A 14 -0.145 7.875 -13.857 1.00 0.00 N ATOM 0 H ARG A 14 2.018 8.031 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 14 0.520 7.328 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.247 6.558 -9.867 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.990 6.263 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.400 8.588 -8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.090 9.050 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.276 7.696 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.921 9.411 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 14 0.420 8.115 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.973 8.343 -12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.632 8.096 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.851 7.799 -13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.475 7.790 -14.818 1.00 0.00 H new ATOM 186 N LEU A 15 0.323 4.713 -6.888 1.00 0.00 N ATOM 187 CA LEU A 15 0.527 3.312 -6.536 1.00 0.00 C ATOM 188 C LEU A 15 0.441 2.422 -7.772 1.00 0.00 C ATOM 189 O LEU A 15 -0.377 2.653 -8.662 1.00 0.00 O ATOM 190 CB LEU A 15 -0.509 2.869 -5.502 1.00 0.00 C ATOM 191 CG LEU A 15 -0.433 3.558 -4.139 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.810 3.623 -3.496 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.549 2.833 -3.229 1.00 0.00 C ATOM 0 H LEU A 15 -0.575 5.095 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 15 1.524 3.212 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.503 3.038 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.405 1.795 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.076 4.577 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.736 4.116 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.486 4.186 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.196 2.613 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.590 3.337 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.221 1.803 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.539 2.839 -3.684 1.00 0.00 H new ATOM 205 N LYS A 16 1.290 1.401 -7.819 1.00 0.00 N ATOM 206 CA LYS A 16 1.309 0.472 -8.943 1.00 0.00 C ATOM 207 C LYS A 16 0.659 -0.854 -8.564 1.00 0.00 C ATOM 208 O LYS A 16 0.865 -1.367 -7.464 1.00 0.00 O ATOM 209 CB LYS A 16 2.747 0.233 -9.410 1.00 0.00 C ATOM 210 CG LYS A 16 3.594 -0.527 -8.405 1.00 0.00 C ATOM 211 CD LYS A 16 4.936 -0.926 -8.995 1.00 0.00 C ATOM 212 CE LYS A 16 5.671 -1.907 -8.095 1.00 0.00 C ATOM 213 NZ LYS A 16 6.339 -1.221 -6.955 1.00 0.00 N ATOM 0 H LYS A 16 1.974 1.196 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 16 0.738 0.916 -9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.728 -0.320 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.218 1.194 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.753 0.091 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.060 -1.419 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.784 -1.375 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.549 -0.037 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.967 -2.646 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.415 -2.448 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.829 -1.924 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.029 -0.534 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.626 -0.725 -6.382 1.00 0.00 H new ATOM 227 N THR A 17 -0.126 -1.408 -9.483 1.00 0.00 N ATOM 228 CA THR A 17 -0.806 -2.675 -9.245 1.00 0.00 C ATOM 229 C THR A 17 0.180 -3.754 -8.812 1.00 0.00 C ATOM 230 O THR A 17 1.303 -3.818 -9.310 1.00 0.00 O ATOM 231 CB THR A 17 -1.555 -3.155 -10.502 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.443 -2.131 -10.965 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.345 -4.422 -10.210 1.00 0.00 C ATOM 0 H THR A 17 -0.306 -0.999 -10.400 1.00 0.00 H new ATOM 0 HA THR A 17 -1.527 -2.502 -8.446 1.00 0.00 H new ATOM 0 HB THR A 17 -0.818 -3.374 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.914 -2.444 -11.765 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.866 -4.742 -11.112 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.664 -5.209 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.072 -4.224 -9.423 1.00 0.00 H new ATOM 241 N MET A 18 -0.249 -4.601 -7.882 1.00 0.00 N ATOM 242 CA MET A 18 0.597 -5.680 -7.383 1.00 0.00 C ATOM 243 C MET A 18 -0.118 -7.024 -7.488 1.00 0.00 C ATOM 244 O MET A 18 -1.320 -7.118 -7.240 1.00 0.00 O ATOM 245 CB MET A 18 0.997 -5.414 -5.931 1.00 0.00 C ATOM 246 CG MET A 18 1.613 -6.619 -5.239 1.00 0.00 C ATOM 247 SD MET A 18 3.314 -6.921 -5.754 1.00 0.00 S ATOM 248 CE MET A 18 4.169 -5.611 -4.883 1.00 0.00 C ATOM 0 H MET A 18 -1.176 -4.562 -7.459 1.00 0.00 H new ATOM 0 HA MET A 18 1.496 -5.717 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.707 -4.588 -5.904 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.117 -5.096 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.586 -6.467 -4.160 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.011 -7.502 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.674 -4.965 -5.602 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.450 -5.025 -4.311 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.905 -6.044 -4.206 1.00 0.00 H new ATOM 258 N GLU A 19 0.629 -8.059 -7.856 1.00 0.00 N ATOM 259 CA GLU A 19 0.065 -9.397 -7.994 1.00 0.00 C ATOM 260 C GLU A 19 0.840 -10.404 -7.149 1.00 0.00 C ATOM 261 O GLU A 19 1.950 -10.803 -7.501 1.00 0.00 O ATOM 262 CB GLU A 19 0.076 -9.830 -9.462 1.00 0.00 C ATOM 263 CG GLU A 19 -1.161 -9.401 -10.233 1.00 0.00 C ATOM 264 CD GLU A 19 -0.909 -9.288 -11.724 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.316 -10.224 -12.299 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.307 -8.262 -12.315 1.00 0.00 O ATOM 0 H GLU A 19 1.626 -7.998 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.965 -9.368 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.959 -9.414 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.166 -10.915 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.962 -10.120 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.506 -8.440 -9.853 1.00 0.00 H new ATOM 273 N VAL A 20 0.246 -10.811 -6.032 1.00 0.00 N ATOM 274 CA VAL A 20 0.878 -11.772 -5.136 1.00 0.00 C ATOM 275 C VAL A 20 -0.089 -12.886 -4.754 1.00 0.00 C ATOM 276 O VAL A 20 -1.300 -12.766 -4.946 1.00 0.00 O ATOM 277 CB VAL A 20 1.392 -11.090 -3.854 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.195 -9.845 -4.196 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.231 -10.749 -2.931 1.00 0.00 C ATOM 0 H VAL A 20 -0.672 -10.490 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 20 1.724 -12.199 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 20 2.050 -11.785 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.550 -9.377 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.048 -10.121 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.564 -9.143 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.612 -10.268 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.454 -10.072 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.298 -11.662 -2.659 1.00 0.00 H new ATOM 289 N LEU A 21 0.452 -13.971 -4.211 1.00 0.00 N ATOM 290 CA LEU A 21 -0.363 -15.109 -3.800 1.00 0.00 C ATOM 291 C LEU A 21 -0.705 -15.026 -2.316 1.00 0.00 C ATOM 292 O LEU A 21 0.144 -14.689 -1.492 1.00 0.00 O ATOM 293 CB LEU A 21 0.369 -16.420 -4.094 1.00 0.00 C ATOM 294 CG LEU A 21 -0.515 -17.628 -4.405 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.255 -18.657 -5.218 1.00 0.00 C ATOM 296 CD2 LEU A 21 -1.043 -18.247 -3.119 1.00 0.00 C ATOM 0 H LEU A 21 1.452 -14.087 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.292 -15.083 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.038 -16.258 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.994 -16.664 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.365 -17.290 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.390 -19.510 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.583 -18.208 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.124 -18.991 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.670 -19.105 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.206 -18.571 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.632 -17.509 -2.575 1.00 0.00 H new ATOM 308 N GLU A 22 -1.954 -15.338 -1.983 1.00 0.00 N ATOM 309 CA GLU A 22 -2.407 -15.299 -0.598 1.00 0.00 C ATOM 310 C GLU A 22 -1.319 -15.806 0.345 1.00 0.00 C ATOM 311 O GLU A 22 -0.614 -16.766 0.037 1.00 0.00 O ATOM 312 CB GLU A 22 -3.675 -16.139 -0.429 1.00 0.00 C ATOM 313 CG GLU A 22 -4.086 -16.336 1.021 1.00 0.00 C ATOM 314 CD GLU A 22 -3.313 -17.451 1.699 1.00 0.00 C ATOM 315 OE1 GLU A 22 -3.198 -18.541 1.101 1.00 0.00 O ATOM 316 OE2 GLU A 22 -2.825 -17.234 2.828 1.00 0.00 O ATOM 0 H GLU A 22 -2.669 -15.620 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.630 -14.262 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.493 -15.660 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.518 -17.115 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.931 -15.406 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.152 -16.558 1.066 1.00 0.00 H new ATOM 323 N GLY A 23 -1.189 -15.152 1.495 1.00 0.00 N ATOM 324 CA GLY A 23 -0.185 -15.550 2.465 1.00 0.00 C ATOM 325 C GLY A 23 1.113 -14.784 2.302 1.00 0.00 C ATOM 326 O GLY A 23 1.781 -14.468 3.286 1.00 0.00 O ATOM 0 H GLY A 23 -1.761 -14.354 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.573 -15.392 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.011 -16.617 2.363 1.00 0.00 H new ATOM 330 N GLU A 24 1.472 -14.488 1.057 1.00 0.00 N ATOM 331 CA GLU A 24 2.701 -13.757 0.770 1.00 0.00 C ATOM 332 C GLU A 24 2.661 -12.362 1.387 1.00 0.00 C ATOM 333 O GLU A 24 1.707 -12.005 2.079 1.00 0.00 O ATOM 334 CB GLU A 24 2.917 -13.653 -0.741 1.00 0.00 C ATOM 335 CG GLU A 24 3.426 -14.938 -1.373 1.00 0.00 C ATOM 336 CD GLU A 24 3.995 -14.719 -2.761 1.00 0.00 C ATOM 337 OE1 GLU A 24 3.201 -14.644 -3.723 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.234 -14.623 -2.887 1.00 0.00 O ATOM 0 H GLU A 24 0.930 -14.743 0.231 1.00 0.00 H new ATOM 0 HA GLU A 24 3.532 -14.307 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.977 -13.372 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.628 -12.852 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.194 -15.373 -0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.611 -15.659 -1.428 1.00 0.00 H new ATOM 345 N SER A 25 3.703 -11.579 1.132 1.00 0.00 N ATOM 346 CA SER A 25 3.790 -10.224 1.665 1.00 0.00 C ATOM 347 C SER A 25 4.302 -9.254 0.604 1.00 0.00 C ATOM 348 O SER A 25 5.365 -9.463 0.018 1.00 0.00 O ATOM 349 CB SER A 25 4.710 -10.192 2.887 1.00 0.00 C ATOM 350 OG SER A 25 6.030 -10.576 2.542 1.00 0.00 O ATOM 0 H SER A 25 4.499 -11.859 0.560 1.00 0.00 H new ATOM 0 HA SER A 25 2.789 -9.913 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.719 -9.189 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.322 -10.861 3.655 1.00 0.00 H new ATOM 0 HG SER A 25 6.162 -10.462 1.578 1.00 0.00 H new ATOM 356 N CYS A 26 3.538 -8.195 0.363 1.00 0.00 N ATOM 357 CA CYS A 26 3.912 -7.192 -0.628 1.00 0.00 C ATOM 358 C CYS A 26 4.051 -5.817 0.016 1.00 0.00 C ATOM 359 O CYS A 26 3.411 -5.526 1.026 1.00 0.00 O ATOM 360 CB CYS A 26 2.873 -7.141 -1.750 1.00 0.00 C ATOM 361 SG CYS A 26 1.203 -6.732 -1.191 1.00 0.00 S ATOM 0 H CYS A 26 2.656 -8.008 0.840 1.00 0.00 H new ATOM 0 HA CYS A 26 4.877 -7.475 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.188 -6.404 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.850 -8.108 -2.253 1.00 0.00 H new ATOM 0 HG CYS A 26 0.397 -6.711 -2.211 1.00 0.00 H new ATOM 367 N SER A 27 4.892 -4.975 -0.575 1.00 0.00 N ATOM 368 CA SER A 27 5.120 -3.631 -0.056 1.00 0.00 C ATOM 369 C SER A 27 4.826 -2.580 -1.122 1.00 0.00 C ATOM 370 O SER A 27 5.447 -2.565 -2.184 1.00 0.00 O ATOM 371 CB SER A 27 6.563 -3.488 0.433 1.00 0.00 C ATOM 372 OG SER A 27 7.459 -3.353 -0.656 1.00 0.00 O ATOM 0 H SER A 27 5.427 -5.199 -1.414 1.00 0.00 H new ATOM 0 HA SER A 27 4.442 -3.472 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.645 -2.619 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.837 -4.360 1.028 1.00 0.00 H new ATOM 0 HG SER A 27 6.958 -3.380 -1.498 1.00 0.00 H new ATOM 378 N PHE A 28 3.873 -1.700 -0.829 1.00 0.00 N ATOM 379 CA PHE A 28 3.494 -0.645 -1.761 1.00 0.00 C ATOM 380 C PHE A 28 4.376 0.586 -1.577 1.00 0.00 C ATOM 381 O PHE A 28 5.009 0.758 -0.535 1.00 0.00 O ATOM 382 CB PHE A 28 2.024 -0.268 -1.567 1.00 0.00 C ATOM 383 CG PHE A 28 1.073 -1.160 -2.312 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.754 -0.903 -3.636 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.497 -2.255 -1.689 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.121 -1.722 -4.324 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.378 -3.078 -2.372 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.688 -2.810 -3.691 1.00 0.00 C ATOM 0 H PHE A 28 3.350 -1.697 0.047 1.00 0.00 H new ATOM 0 HA PHE A 28 3.634 -1.022 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.785 -0.303 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.875 0.761 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.194 -0.053 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.735 -2.468 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.361 -1.511 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.819 -3.930 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.373 -3.451 -4.226 1.00 0.00 H new ATOM 398 N GLU A 29 4.411 1.440 -2.595 1.00 0.00 N ATOM 399 CA GLU A 29 5.216 2.655 -2.545 1.00 0.00 C ATOM 400 C GLU A 29 4.436 3.847 -3.091 1.00 0.00 C ATOM 401 O GLU A 29 3.985 3.836 -4.237 1.00 0.00 O ATOM 402 CB GLU A 29 6.509 2.469 -3.343 1.00 0.00 C ATOM 403 CG GLU A 29 7.260 1.195 -2.996 1.00 0.00 C ATOM 404 CD GLU A 29 8.623 1.123 -3.658 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.566 1.761 -3.146 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.746 0.426 -4.687 1.00 0.00 O ATOM 0 H GLU A 29 3.892 1.313 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 29 5.465 2.853 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.272 2.463 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.161 3.325 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.382 1.132 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.666 0.333 -3.300 1.00 0.00 H new ATOM 413 N CYS A 30 4.281 4.874 -2.262 1.00 0.00 N ATOM 414 CA CYS A 30 3.554 6.074 -2.660 1.00 0.00 C ATOM 415 C CYS A 30 4.344 7.330 -2.308 1.00 0.00 C ATOM 416 O CYS A 30 4.568 7.627 -1.134 1.00 0.00 O ATOM 417 CB CYS A 30 2.183 6.113 -1.984 1.00 0.00 C ATOM 418 SG CYS A 30 0.998 7.223 -2.779 1.00 0.00 S ATOM 0 H CYS A 30 4.649 4.899 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 30 3.417 6.044 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.768 5.105 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.311 6.419 -0.946 1.00 0.00 H new ATOM 0 HG CYS A 30 0.317 7.855 -1.869 1.00 0.00 H new ATOM 424 N VAL A 31 4.766 8.064 -3.333 1.00 0.00 N ATOM 425 CA VAL A 31 5.532 9.288 -3.132 1.00 0.00 C ATOM 426 C VAL A 31 4.766 10.505 -3.637 1.00 0.00 C ATOM 427 O VAL A 31 4.118 10.455 -4.684 1.00 0.00 O ATOM 428 CB VAL A 31 6.896 9.221 -3.846 1.00 0.00 C ATOM 429 CG1 VAL A 31 7.777 10.387 -3.426 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.582 7.894 -3.559 1.00 0.00 C ATOM 0 H VAL A 31 4.590 7.832 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 31 5.696 9.385 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 31 6.728 9.293 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.736 10.322 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.288 11.325 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.940 10.350 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.544 7.863 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.739 7.790 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.956 7.076 -3.915 1.00 0.00 H new ATOM 440 N LEU A 32 4.845 11.600 -2.888 1.00 0.00 N ATOM 441 CA LEU A 32 4.159 12.832 -3.260 1.00 0.00 C ATOM 442 C LEU A 32 5.113 13.798 -3.956 1.00 0.00 C ATOM 443 O LEU A 32 6.280 13.912 -3.580 1.00 0.00 O ATOM 444 CB LEU A 32 3.555 13.497 -2.022 1.00 0.00 C ATOM 445 CG LEU A 32 2.826 12.569 -1.050 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.779 13.183 0.341 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.421 12.269 -1.551 1.00 0.00 C ATOM 0 H LEU A 32 5.377 11.659 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 32 3.359 12.577 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.354 14.003 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.857 14.266 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 32 3.377 11.630 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.256 12.508 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.795 13.345 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.252 14.136 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.917 11.607 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.860 13.199 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.478 11.785 -2.526 1.00 0.00 H new ATOM 459 N SER A 33 4.608 14.493 -4.970 1.00 0.00 N ATOM 460 CA SER A 33 5.416 15.448 -5.719 1.00 0.00 C ATOM 461 C SER A 33 6.289 16.275 -4.780 1.00 0.00 C ATOM 462 O SER A 33 7.467 16.509 -5.054 1.00 0.00 O ATOM 463 CB SER A 33 4.518 16.372 -6.544 1.00 0.00 C ATOM 464 OG SER A 33 3.580 17.042 -5.719 1.00 0.00 O ATOM 0 H SER A 33 3.643 14.413 -5.292 1.00 0.00 H new ATOM 0 HA SER A 33 6.065 14.888 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.130 17.103 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.991 15.791 -7.301 1.00 0.00 H new ATOM 0 HG SER A 33 3.246 17.838 -6.183 1.00 0.00 H new ATOM 470 N HIS A 34 5.703 16.716 -3.671 1.00 0.00 N ATOM 471 CA HIS A 34 6.427 17.516 -2.690 1.00 0.00 C ATOM 472 C HIS A 34 6.947 16.643 -1.553 1.00 0.00 C ATOM 473 O HIS A 34 6.750 15.428 -1.551 1.00 0.00 O ATOM 474 CB HIS A 34 5.523 18.616 -2.132 1.00 0.00 C ATOM 475 CG HIS A 34 5.572 19.889 -2.920 1.00 0.00 C ATOM 476 ND1 HIS A 34 5.110 21.093 -2.433 1.00 0.00 N ATOM 477 CD2 HIS A 34 6.034 20.141 -4.167 1.00 0.00 C ATOM 478 CE1 HIS A 34 5.283 22.031 -3.348 1.00 0.00 C ATOM 479 NE2 HIS A 34 5.843 21.479 -4.409 1.00 0.00 N ATOM 0 H HIS A 34 4.729 16.533 -3.430 1.00 0.00 H new ATOM 0 HA HIS A 34 7.280 17.975 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.496 18.253 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.812 18.825 -1.102 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.699 21.237 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.471 19.423 -4.845 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.012 23.072 -3.245 1.00 0.00 H new ATOM 488 N GLU A 35 7.612 17.270 -0.588 1.00 0.00 N ATOM 489 CA GLU A 35 8.162 16.548 0.554 1.00 0.00 C ATOM 490 C GLU A 35 7.234 16.651 1.761 1.00 0.00 C ATOM 491 O GLU A 35 6.705 17.722 2.061 1.00 0.00 O ATOM 492 CB GLU A 35 9.546 17.093 0.912 1.00 0.00 C ATOM 493 CG GLU A 35 9.540 18.563 1.295 1.00 0.00 C ATOM 494 CD GLU A 35 10.901 19.213 1.135 1.00 0.00 C ATOM 495 OE1 GLU A 35 11.887 18.666 1.672 1.00 0.00 O ATOM 496 OE2 GLU A 35 10.980 20.268 0.471 1.00 0.00 O ATOM 0 H GLU A 35 7.783 18.275 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 35 8.254 15.498 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.953 16.512 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.214 16.950 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.814 19.092 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.213 18.664 2.330 1.00 0.00 H new ATOM 503 N SER A 36 7.040 15.531 2.449 1.00 0.00 N ATOM 504 CA SER A 36 6.173 15.494 3.621 1.00 0.00 C ATOM 505 C SER A 36 6.960 15.100 4.867 1.00 0.00 C ATOM 506 O SER A 36 7.275 13.928 5.071 1.00 0.00 O ATOM 507 CB SER A 36 5.022 14.511 3.399 1.00 0.00 C ATOM 508 OG SER A 36 3.898 14.854 4.191 1.00 0.00 O ATOM 0 H SER A 36 7.471 14.637 2.215 1.00 0.00 H new ATOM 0 HA SER A 36 5.764 16.493 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.741 14.507 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.350 13.501 3.645 1.00 0.00 H new ATOM 0 HG SER A 36 3.127 14.315 3.916 1.00 0.00 H new ATOM 514 N ALA A 37 7.275 16.089 5.698 1.00 0.00 N ATOM 515 CA ALA A 37 8.023 15.847 6.925 1.00 0.00 C ATOM 516 C ALA A 37 7.085 15.665 8.113 1.00 0.00 C ATOM 517 O ALA A 37 7.265 14.758 8.925 1.00 0.00 O ATOM 518 CB ALA A 37 8.993 16.989 7.186 1.00 0.00 C ATOM 0 H ALA A 37 7.023 17.065 5.543 1.00 0.00 H new ATOM 0 HA ALA A 37 8.590 14.925 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.545 16.795 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.692 17.070 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.438 17.922 7.286 1.00 0.00 H new ATOM 524 N SER A 38 6.084 16.534 8.209 1.00 0.00 N ATOM 525 CA SER A 38 5.120 16.472 9.301 1.00 0.00 C ATOM 526 C SER A 38 3.691 16.461 8.765 1.00 0.00 C ATOM 527 O SER A 38 3.112 17.512 8.491 1.00 0.00 O ATOM 528 CB SER A 38 5.312 17.658 10.248 1.00 0.00 C ATOM 529 OG SER A 38 6.468 17.487 11.051 1.00 0.00 O ATOM 0 H SER A 38 5.919 17.289 7.544 1.00 0.00 H new ATOM 0 HA SER A 38 5.291 15.546 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.399 18.578 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.435 17.764 10.886 1.00 0.00 H new ATOM 0 HG SER A 38 6.570 18.259 11.646 1.00 0.00 H new ATOM 535 N ASP A 39 3.130 15.266 8.618 1.00 0.00 N ATOM 536 CA ASP A 39 1.769 15.117 8.116 1.00 0.00 C ATOM 537 C ASP A 39 1.272 13.688 8.310 1.00 0.00 C ATOM 538 O ASP A 39 2.009 12.718 8.130 1.00 0.00 O ATOM 539 CB ASP A 39 1.705 15.496 6.636 1.00 0.00 C ATOM 540 CG ASP A 39 0.328 15.975 6.220 1.00 0.00 C ATOM 541 OD1 ASP A 39 0.060 17.188 6.342 1.00 0.00 O ATOM 542 OD2 ASP A 39 -0.483 15.135 5.774 1.00 0.00 O ATOM 0 H ASP A 39 3.597 14.386 8.839 1.00 0.00 H new ATOM 0 HA ASP A 39 1.123 15.787 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.436 16.279 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.985 14.634 6.031 1.00 0.00 H new ATOM 547 N PRO A 40 -0.008 13.552 8.688 1.00 0.00 N ATOM 548 CA PRO A 40 -0.632 12.246 8.915 1.00 0.00 C ATOM 549 C PRO A 40 -0.829 11.464 7.621 1.00 0.00 C ATOM 550 O PRO A 40 -1.221 12.026 6.599 1.00 0.00 O ATOM 551 CB PRO A 40 -1.985 12.602 9.536 1.00 0.00 C ATOM 552 CG PRO A 40 -2.276 13.978 9.045 1.00 0.00 C ATOM 553 CD PRO A 40 -0.944 14.664 8.921 1.00 0.00 C ATOM 0 HA PRO A 40 -0.015 11.604 9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.759 11.900 9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.942 12.571 10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.791 13.949 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.926 14.511 9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.934 15.377 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.692 15.219 9.825 1.00 0.00 H new ATOM 561 N ALA A 41 -0.554 10.165 7.672 1.00 0.00 N ATOM 562 CA ALA A 41 -0.704 9.306 6.504 1.00 0.00 C ATOM 563 C ALA A 41 -1.728 8.205 6.759 1.00 0.00 C ATOM 564 O ALA A 41 -1.504 7.315 7.579 1.00 0.00 O ATOM 565 CB ALA A 41 0.638 8.701 6.118 1.00 0.00 C ATOM 0 H ALA A 41 -0.226 9.684 8.510 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.066 9.918 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.511 8.062 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.343 9.499 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.022 8.108 6.948 1.00 0.00 H new ATOM 571 N MET A 42 -2.852 8.274 6.053 1.00 0.00 N ATOM 572 CA MET A 42 -3.910 7.282 6.203 1.00 0.00 C ATOM 573 C MET A 42 -3.757 6.163 5.178 1.00 0.00 C ATOM 574 O MET A 42 -3.953 6.375 3.981 1.00 0.00 O ATOM 575 CB MET A 42 -5.282 7.942 6.054 1.00 0.00 C ATOM 576 CG MET A 42 -6.396 6.961 5.728 1.00 0.00 C ATOM 577 SD MET A 42 -8.035 7.699 5.872 1.00 0.00 S ATOM 578 CE MET A 42 -8.044 8.170 7.600 1.00 0.00 C ATOM 0 H MET A 42 -3.053 9.006 5.372 1.00 0.00 H new ATOM 0 HA MET A 42 -3.829 6.850 7.200 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.528 8.464 6.979 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.230 8.695 5.268 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.259 6.585 4.714 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.328 6.104 6.398 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.068 8.167 7.973 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.447 7.461 8.174 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.622 9.169 7.707 1.00 0.00 H new ATOM 588 N TRP A 43 -3.405 4.974 5.654 1.00 0.00 N ATOM 589 CA TRP A 43 -3.226 3.823 4.777 1.00 0.00 C ATOM 590 C TRP A 43 -4.396 2.853 4.905 1.00 0.00 C ATOM 591 O TRP A 43 -4.536 2.163 5.915 1.00 0.00 O ATOM 592 CB TRP A 43 -1.915 3.106 5.105 1.00 0.00 C ATOM 593 CG TRP A 43 -0.734 3.660 4.368 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.196 4.536 4.850 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.358 3.377 3.015 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.127 4.815 3.879 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.810 4.116 2.744 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.893 2.570 2.008 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.449 4.071 1.508 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.258 2.527 0.781 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.903 3.273 0.540 1.00 0.00 C ATOM 0 H TRP A 43 -3.238 4.782 6.642 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.188 4.183 3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.730 3.175 6.177 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.019 2.047 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.199 4.949 5.848 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.925 5.441 3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.787 1.990 2.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.344 4.646 1.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.664 1.908 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.376 3.217 -0.429 1.00 0.00 H new ATOM 612 N THR A 44 -5.235 2.806 3.875 1.00 0.00 N ATOM 613 CA THR A 44 -6.393 1.921 3.874 1.00 0.00 C ATOM 614 C THR A 44 -6.327 0.931 2.717 1.00 0.00 C ATOM 615 O THR A 44 -6.507 1.302 1.557 1.00 0.00 O ATOM 616 CB THR A 44 -7.708 2.718 3.778 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.675 3.583 2.636 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.936 3.541 5.037 1.00 0.00 C ATOM 0 H THR A 44 -5.134 3.370 3.031 1.00 0.00 H new ATOM 0 HA THR A 44 -6.375 1.375 4.817 1.00 0.00 H new ATOM 0 HB THR A 44 -8.529 2.009 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.864 3.406 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.870 4.095 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.990 2.878 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.111 4.241 5.169 1.00 0.00 H new ATOM 626 N VAL A 45 -6.068 -0.332 3.040 1.00 0.00 N ATOM 627 CA VAL A 45 -5.980 -1.377 2.027 1.00 0.00 C ATOM 628 C VAL A 45 -7.230 -2.250 2.027 1.00 0.00 C ATOM 629 O VAL A 45 -7.317 -3.228 2.769 1.00 0.00 O ATOM 630 CB VAL A 45 -4.744 -2.270 2.247 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.759 -2.867 3.646 1.00 0.00 C ATOM 632 CG2 VAL A 45 -4.682 -3.364 1.192 1.00 0.00 C ATOM 0 H VAL A 45 -5.915 -0.656 3.995 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.890 -0.876 1.063 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.850 -1.654 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.879 -3.495 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.751 -2.065 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.658 -3.470 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.803 -3.985 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.579 -3.980 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.620 -2.912 0.202 1.00 0.00 H new ATOM 642 N GLY A 46 -8.197 -1.889 1.190 1.00 0.00 N ATOM 643 CA GLY A 46 -9.431 -2.650 1.109 1.00 0.00 C ATOM 644 C GLY A 46 -9.822 -3.263 2.439 1.00 0.00 C ATOM 645 O GLY A 46 -9.522 -4.426 2.706 1.00 0.00 O ATOM 0 H GLY A 46 -8.149 -1.083 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.234 -1.999 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.319 -3.441 0.367 1.00 0.00 H new ATOM 649 N GLY A 47 -10.493 -2.478 3.276 1.00 0.00 N ATOM 650 CA GLY A 47 -10.913 -2.968 4.576 1.00 0.00 C ATOM 651 C GLY A 47 -11.059 -1.855 5.595 1.00 0.00 C ATOM 652 O GLY A 47 -12.151 -1.613 6.109 1.00 0.00 O ATOM 0 H GLY A 47 -10.753 -1.512 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.864 -3.490 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.187 -3.696 4.939 1.00 0.00 H new ATOM 656 N LYS A 48 -9.955 -1.177 5.891 1.00 0.00 N ATOM 657 CA LYS A 48 -9.964 -0.084 6.856 1.00 0.00 C ATOM 658 C LYS A 48 -8.600 0.596 6.919 1.00 0.00 C ATOM 659 O LYS A 48 -7.682 0.241 6.180 1.00 0.00 O ATOM 660 CB LYS A 48 -10.352 -0.603 8.242 1.00 0.00 C ATOM 661 CG LYS A 48 -9.733 -1.948 8.583 1.00 0.00 C ATOM 662 CD LYS A 48 -9.614 -2.142 10.086 1.00 0.00 C ATOM 663 CE LYS A 48 -10.905 -2.683 10.681 1.00 0.00 C ATOM 664 NZ LYS A 48 -11.916 -1.609 10.882 1.00 0.00 N ATOM 0 H LYS A 48 -9.042 -1.365 5.476 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.702 0.649 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.049 0.128 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.437 -0.687 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.341 -2.747 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.746 -2.022 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.796 -2.830 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.364 -1.192 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.315 -3.449 10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.691 -3.164 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.544 -1.866 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.433 -0.714 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.479 -1.495 10.015 1.00 0.00 H new ATOM 678 N THR A 49 -8.474 1.576 7.809 1.00 0.00 N ATOM 679 CA THR A 49 -7.222 2.306 7.969 1.00 0.00 C ATOM 680 C THR A 49 -6.233 1.520 8.822 1.00 0.00 C ATOM 681 O THR A 49 -6.386 1.424 10.040 1.00 0.00 O ATOM 682 CB THR A 49 -7.455 3.686 8.613 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.411 4.429 7.849 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.153 4.467 8.704 1.00 0.00 C ATOM 0 H THR A 49 -9.223 1.882 8.430 1.00 0.00 H new ATOM 0 HA THR A 49 -6.807 2.445 6.971 1.00 0.00 H new ATOM 0 HB THR A 49 -7.839 3.531 9.621 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.674 5.232 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.342 5.438 9.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.438 3.913 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.744 4.611 7.704 1.00 0.00 H new ATOM 692 N VAL A 50 -5.216 0.959 8.175 1.00 0.00 N ATOM 693 CA VAL A 50 -4.200 0.182 8.874 1.00 0.00 C ATOM 694 C VAL A 50 -3.044 1.068 9.324 1.00 0.00 C ATOM 695 O VAL A 50 -2.532 1.878 8.552 1.00 0.00 O ATOM 696 CB VAL A 50 -3.649 -0.950 7.987 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.781 -1.834 7.485 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.854 -0.376 6.825 1.00 0.00 C ATOM 0 H VAL A 50 -5.074 1.028 7.167 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.682 -0.254 9.749 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.979 -1.565 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.373 -2.628 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.304 -2.273 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.479 -1.235 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.472 -1.190 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.500 0.263 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.020 0.211 7.210 1.00 0.00 H new ATOM 708 N GLY A 51 -2.637 0.909 10.580 1.00 0.00 N ATOM 709 CA GLY A 51 -1.544 1.701 11.112 1.00 0.00 C ATOM 710 C GLY A 51 -0.977 1.122 12.393 1.00 0.00 C ATOM 711 O GLY A 51 -0.594 1.860 13.300 1.00 0.00 O ATOM 0 H GLY A 51 -3.045 0.245 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.752 1.769 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.893 2.716 11.299 1.00 0.00 H new ATOM 715 N SER A 52 -0.924 -0.204 12.468 1.00 0.00 N ATOM 716 CA SER A 52 -0.405 -0.883 13.650 1.00 0.00 C ATOM 717 C SER A 52 0.930 -1.556 13.347 1.00 0.00 C ATOM 718 O SER A 52 1.477 -1.412 12.254 1.00 0.00 O ATOM 719 CB SER A 52 -1.411 -1.921 14.151 1.00 0.00 C ATOM 720 OG SER A 52 -2.579 -1.297 14.656 1.00 0.00 O ATOM 0 H SER A 52 -1.234 -0.830 11.724 1.00 0.00 H new ATOM 0 HA SER A 52 -0.247 -0.136 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.678 -2.595 13.337 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.953 -2.529 14.932 1.00 0.00 H new ATOM 0 HG SER A 52 -3.207 -1.982 14.968 1.00 0.00 H new ATOM 726 N SER A 53 1.449 -2.293 14.324 1.00 0.00 N ATOM 727 CA SER A 53 2.722 -2.986 14.165 1.00 0.00 C ATOM 728 C SER A 53 2.542 -4.494 14.315 1.00 0.00 C ATOM 729 O SER A 53 3.382 -5.175 14.903 1.00 0.00 O ATOM 730 CB SER A 53 3.736 -2.478 15.192 1.00 0.00 C ATOM 731 OG SER A 53 4.170 -1.167 14.874 1.00 0.00 O ATOM 0 H SER A 53 1.007 -2.425 15.234 1.00 0.00 H new ATOM 0 HA SER A 53 3.097 -2.780 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.287 -2.485 16.185 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.593 -3.150 15.225 1.00 0.00 H new ATOM 0 HG SER A 53 4.816 -0.864 15.546 1.00 0.00 H new ATOM 737 N SER A 54 1.440 -5.008 13.779 1.00 0.00 N ATOM 738 CA SER A 54 1.146 -6.434 13.856 1.00 0.00 C ATOM 739 C SER A 54 1.210 -7.077 12.474 1.00 0.00 C ATOM 740 O SER A 54 1.935 -8.049 12.262 1.00 0.00 O ATOM 741 CB SER A 54 -0.237 -6.659 14.472 1.00 0.00 C ATOM 742 OG SER A 54 -0.320 -7.933 15.087 1.00 0.00 O ATOM 0 H SER A 54 0.736 -4.458 13.287 1.00 0.00 H new ATOM 0 HA SER A 54 1.899 -6.901 14.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.441 -5.882 15.209 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.001 -6.574 13.699 1.00 0.00 H new ATOM 0 HG SER A 54 -1.212 -8.052 15.474 1.00 0.00 H new ATOM 748 N ARG A 55 0.446 -6.526 11.536 1.00 0.00 N ATOM 749 CA ARG A 55 0.414 -7.046 10.174 1.00 0.00 C ATOM 750 C ARG A 55 0.821 -5.970 9.172 1.00 0.00 C ATOM 751 O ARG A 55 1.380 -6.269 8.116 1.00 0.00 O ATOM 752 CB ARG A 55 -0.984 -7.569 9.837 1.00 0.00 C ATOM 753 CG ARG A 55 -2.100 -6.833 10.561 1.00 0.00 C ATOM 754 CD ARG A 55 -3.468 -7.245 10.040 1.00 0.00 C ATOM 755 NE ARG A 55 -4.551 -6.593 10.771 1.00 0.00 N ATOM 756 CZ ARG A 55 -5.037 -7.045 11.922 1.00 0.00 C ATOM 757 NH1 ARG A 55 -4.538 -8.144 12.470 1.00 0.00 N ATOM 758 NH2 ARG A 55 -6.023 -6.396 12.527 1.00 0.00 N ATOM 0 H ARG A 55 -0.159 -5.720 11.694 1.00 0.00 H new ATOM 0 HA ARG A 55 1.127 -7.868 10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.144 -7.487 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.037 -8.629 10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.039 -7.038 11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.970 -5.758 10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.543 -6.995 8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.576 -8.327 10.121 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.956 -5.744 10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.779 -8.645 12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.913 -8.489 13.354 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.409 -5.549 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.396 -6.744 13.411 1.00 0.00 H new ATOM 772 N PHE A 56 0.537 -4.716 9.509 1.00 0.00 N ATOM 773 CA PHE A 56 0.872 -3.595 8.639 1.00 0.00 C ATOM 774 C PHE A 56 1.975 -2.739 9.255 1.00 0.00 C ATOM 775 O PHE A 56 2.253 -2.834 10.450 1.00 0.00 O ATOM 776 CB PHE A 56 -0.368 -2.739 8.375 1.00 0.00 C ATOM 777 CG PHE A 56 -1.406 -3.429 7.538 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.324 -3.412 6.155 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.465 -4.095 8.134 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.279 -4.046 5.383 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.423 -4.731 7.367 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.329 -4.707 5.989 1.00 0.00 C ATOM 0 H PHE A 56 0.075 -4.451 10.379 1.00 0.00 H new ATOM 0 HA PHE A 56 1.235 -3.997 7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.813 -2.454 9.329 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.065 -1.818 7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.505 -2.898 5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.543 -4.117 9.211 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.204 -4.024 4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.244 -5.246 7.844 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.075 -5.204 5.387 1.00 0.00 H new ATOM 792 N GLN A 57 2.598 -1.904 8.430 1.00 0.00 N ATOM 793 CA GLN A 57 3.671 -1.032 8.893 1.00 0.00 C ATOM 794 C GLN A 57 3.826 0.175 7.974 1.00 0.00 C ATOM 795 O GLN A 57 4.266 0.045 6.832 1.00 0.00 O ATOM 796 CB GLN A 57 4.989 -1.804 8.967 1.00 0.00 C ATOM 797 CG GLN A 57 5.934 -1.293 10.042 1.00 0.00 C ATOM 798 CD GLN A 57 5.772 0.191 10.304 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.788 1.002 9.377 1.00 0.00 O ATOM 800 NE2 GLN A 57 5.615 0.556 11.571 1.00 0.00 N ATOM 0 H GLN A 57 2.378 -1.813 7.438 1.00 0.00 H new ATOM 0 HA GLN A 57 3.411 -0.676 9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.774 -2.856 9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.488 -1.748 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.758 -1.843 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.962 -1.495 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.608 -0.149 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.502 1.542 11.807 1.00 0.00 H new ATOM 809 N ALA A 58 3.462 1.349 8.480 1.00 0.00 N ATOM 810 CA ALA A 58 3.563 2.579 7.704 1.00 0.00 C ATOM 811 C ALA A 58 4.941 3.213 7.856 1.00 0.00 C ATOM 812 O ALA A 58 5.144 4.093 8.694 1.00 0.00 O ATOM 813 CB ALA A 58 2.480 3.560 8.128 1.00 0.00 C ATOM 0 H ALA A 58 3.095 1.474 9.423 1.00 0.00 H new ATOM 0 HA ALA A 58 3.421 2.329 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.567 4.474 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.500 3.114 7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.597 3.796 9.186 1.00 0.00 H new ATOM 819 N THR A 59 5.889 2.759 7.041 1.00 0.00 N ATOM 820 CA THR A 59 7.249 3.280 7.086 1.00 0.00 C ATOM 821 C THR A 59 7.387 4.533 6.229 1.00 0.00 C ATOM 822 O THR A 59 6.573 4.781 5.340 1.00 0.00 O ATOM 823 CB THR A 59 8.269 2.229 6.607 1.00 0.00 C ATOM 824 OG1 THR A 59 7.744 1.513 5.484 1.00 0.00 O ATOM 825 CG2 THR A 59 8.606 1.254 7.725 1.00 0.00 C ATOM 0 H THR A 59 5.739 2.031 6.342 1.00 0.00 H new ATOM 0 HA THR A 59 7.457 3.530 8.126 1.00 0.00 H new ATOM 0 HB THR A 59 9.181 2.748 6.312 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.974 1.996 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.328 0.521 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.033 1.799 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.699 0.742 8.047 1.00 0.00 H new ATOM 833 N ARG A 60 8.423 5.320 6.502 1.00 0.00 N ATOM 834 CA ARG A 60 8.667 6.548 5.755 1.00 0.00 C ATOM 835 C ARG A 60 10.160 6.752 5.516 1.00 0.00 C ATOM 836 O ARG A 60 10.908 7.067 6.441 1.00 0.00 O ATOM 837 CB ARG A 60 8.091 7.750 6.506 1.00 0.00 C ATOM 838 CG ARG A 60 8.246 9.065 5.761 1.00 0.00 C ATOM 839 CD ARG A 60 7.921 10.253 6.654 1.00 0.00 C ATOM 840 NE ARG A 60 9.025 10.582 7.551 1.00 0.00 N ATOM 841 CZ ARG A 60 8.976 11.559 8.449 1.00 0.00 C ATOM 842 NH1 ARG A 60 7.882 12.299 8.570 1.00 0.00 N ATOM 843 NH2 ARG A 60 10.022 11.798 9.230 1.00 0.00 N ATOM 0 H ARG A 60 9.106 5.129 7.235 1.00 0.00 H new ATOM 0 HA ARG A 60 8.171 6.460 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.033 7.574 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.582 7.831 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.267 9.156 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.589 9.071 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.687 11.119 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.030 10.032 7.242 1.00 0.00 H new ATOM 0 HE ARG A 60 9.881 10.031 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.075 12.118 7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.847 13.049 9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.865 11.231 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.983 12.549 9.919 1.00 0.00 H new ATOM 857 N GLN A 61 10.585 6.569 4.270 1.00 0.00 N ATOM 858 CA GLN A 61 11.989 6.732 3.911 1.00 0.00 C ATOM 859 C GLN A 61 12.139 7.661 2.710 1.00 0.00 C ATOM 860 O GLN A 61 11.965 7.246 1.566 1.00 0.00 O ATOM 861 CB GLN A 61 12.619 5.373 3.601 1.00 0.00 C ATOM 862 CG GLN A 61 12.893 4.534 4.838 1.00 0.00 C ATOM 863 CD GLN A 61 14.130 4.986 5.589 1.00 0.00 C ATOM 864 OE1 GLN A 61 15.068 5.521 4.997 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.138 4.775 6.900 1.00 0.00 N ATOM 0 H GLN A 61 9.978 6.308 3.493 1.00 0.00 H new ATOM 0 HA GLN A 61 12.506 7.179 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.958 4.819 2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.554 5.529 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.031 4.583 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.011 3.491 4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.339 4.328 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.943 5.060 7.457 1.00 0.00 H new ATOM 874 N GLY A 62 12.464 8.922 2.981 1.00 0.00 N ATOM 875 CA GLY A 62 12.632 9.890 1.913 1.00 0.00 C ATOM 876 C GLY A 62 11.310 10.326 1.312 1.00 0.00 C ATOM 877 O GLY A 62 10.921 9.855 0.243 1.00 0.00 O ATOM 0 H GLY A 62 12.614 9.290 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.158 10.763 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.258 9.459 1.132 1.00 0.00 H new ATOM 881 N ARG A 63 10.617 11.226 2.001 1.00 0.00 N ATOM 882 CA ARG A 63 9.330 11.723 1.531 1.00 0.00 C ATOM 883 C ARG A 63 8.569 10.636 0.778 1.00 0.00 C ATOM 884 O ARG A 63 7.963 10.893 -0.262 1.00 0.00 O ATOM 885 CB ARG A 63 9.529 12.941 0.626 1.00 0.00 C ATOM 886 CG ARG A 63 10.791 12.872 -0.218 1.00 0.00 C ATOM 887 CD ARG A 63 10.590 12.004 -1.451 1.00 0.00 C ATOM 888 NE ARG A 63 11.850 11.457 -1.947 1.00 0.00 N ATOM 889 CZ ARG A 63 12.774 12.184 -2.565 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.580 13.481 -2.762 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.895 11.614 -2.987 1.00 0.00 N ATOM 0 H ARG A 63 10.925 11.626 2.887 1.00 0.00 H new ATOM 0 HA ARG A 63 8.743 12.017 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.666 13.039 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.563 13.839 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.082 13.877 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.609 12.472 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.909 11.187 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.117 12.594 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 63 12.030 10.462 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.719 13.923 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.291 14.037 -3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.048 10.617 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.604 12.173 -3.462 1.00 0.00 H new ATOM 905 N LYS A 64 8.605 9.419 1.311 1.00 0.00 N ATOM 906 CA LYS A 64 7.920 8.291 0.692 1.00 0.00 C ATOM 907 C LYS A 64 7.110 7.513 1.724 1.00 0.00 C ATOM 908 O LYS A 64 7.428 7.525 2.914 1.00 0.00 O ATOM 909 CB LYS A 64 8.930 7.362 0.015 1.00 0.00 C ATOM 910 CG LYS A 64 8.360 6.001 -0.345 1.00 0.00 C ATOM 911 CD LYS A 64 9.154 5.341 -1.459 1.00 0.00 C ATOM 912 CE LYS A 64 10.647 5.357 -1.165 1.00 0.00 C ATOM 913 NZ LYS A 64 11.293 6.609 -1.647 1.00 0.00 N ATOM 0 H LYS A 64 9.102 9.189 2.171 1.00 0.00 H new ATOM 0 HA LYS A 64 7.236 8.683 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.302 7.842 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.785 7.225 0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.365 5.359 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.320 6.111 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.818 4.312 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.962 5.857 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.807 5.256 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.120 4.498 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.204 6.380 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.674 7.074 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.452 7.249 -0.843 1.00 0.00 H new ATOM 927 N TYR A 65 6.064 6.837 1.262 1.00 0.00 N ATOM 928 CA TYR A 65 5.209 6.055 2.146 1.00 0.00 C ATOM 929 C TYR A 65 5.171 4.592 1.712 1.00 0.00 C ATOM 930 O TYR A 65 4.626 4.259 0.659 1.00 0.00 O ATOM 931 CB TYR A 65 3.792 6.631 2.160 1.00 0.00 C ATOM 932 CG TYR A 65 3.677 7.938 2.911 1.00 0.00 C ATOM 933 CD1 TYR A 65 3.603 7.961 4.298 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.644 9.150 2.233 1.00 0.00 C ATOM 935 CE1 TYR A 65 3.497 9.153 4.989 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.540 10.347 2.915 1.00 0.00 C ATOM 937 CZ TYR A 65 3.467 10.343 4.293 1.00 0.00 C ATOM 938 OH TYR A 65 3.363 11.533 4.977 1.00 0.00 O ATOM 0 H TYR A 65 5.788 6.815 0.280 1.00 0.00 H new ATOM 0 HA TYR A 65 5.625 6.107 3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.460 6.781 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.117 5.903 2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.629 7.031 4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.701 9.157 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.438 9.153 6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.516 11.281 2.373 1.00 0.00 H new ATOM 0 HH TYR A 65 3.356 12.277 4.339 1.00 0.00 H new ATOM 948 N ILE A 66 5.752 3.724 2.533 1.00 0.00 N ATOM 949 CA ILE A 66 5.784 2.297 2.236 1.00 0.00 C ATOM 950 C ILE A 66 4.994 1.503 3.271 1.00 0.00 C ATOM 951 O ILE A 66 5.318 1.516 4.460 1.00 0.00 O ATOM 952 CB ILE A 66 7.228 1.764 2.189 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.111 2.694 1.355 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.253 0.352 1.623 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.578 2.620 1.717 1.00 0.00 C ATOM 0 H ILE A 66 6.207 3.983 3.408 1.00 0.00 H new ATOM 0 HA ILE A 66 5.326 2.168 1.255 1.00 0.00 H new ATOM 0 HB ILE A 66 7.622 1.734 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.992 2.445 0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.765 3.720 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.280 -0.011 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.653 -0.304 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.844 0.358 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.144 3.305 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.709 2.898 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.940 1.603 1.564 1.00 0.00 H new ATOM 967 N LEU A 67 3.958 0.810 2.812 1.00 0.00 N ATOM 968 CA LEU A 67 3.122 0.007 3.698 1.00 0.00 C ATOM 969 C LEU A 67 3.492 -1.470 3.605 1.00 0.00 C ATOM 970 O LEU A 67 3.187 -2.137 2.616 1.00 0.00 O ATOM 971 CB LEU A 67 1.645 0.197 3.348 1.00 0.00 C ATOM 972 CG LEU A 67 0.646 -0.570 4.215 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.395 0.168 5.520 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.659 -0.785 3.462 1.00 0.00 C ATOM 0 H LEU A 67 3.677 0.788 1.832 1.00 0.00 H new ATOM 0 HA LEU A 67 3.293 0.342 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.411 1.260 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.497 -0.100 2.310 1.00 0.00 H new ATOM 0 HG LEU A 67 1.072 -1.546 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.318 -0.393 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.332 0.269 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.009 1.157 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.358 -1.332 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.089 0.181 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.466 -1.357 2.555 1.00 0.00 H new ATOM 986 N VAL A 68 4.150 -1.976 4.643 1.00 0.00 N ATOM 987 CA VAL A 68 4.559 -3.375 4.681 1.00 0.00 C ATOM 988 C VAL A 68 3.376 -4.286 4.989 1.00 0.00 C ATOM 989 O VAL A 68 2.865 -4.300 6.109 1.00 0.00 O ATOM 990 CB VAL A 68 5.661 -3.610 5.731 1.00 0.00 C ATOM 991 CG1 VAL A 68 6.172 -5.041 5.659 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.799 -2.619 5.540 1.00 0.00 C ATOM 0 H VAL A 68 4.411 -1.438 5.469 1.00 0.00 H new ATOM 0 HA VAL A 68 4.952 -3.616 3.693 1.00 0.00 H new ATOM 0 HB VAL A 68 5.234 -3.452 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.950 -5.188 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.350 -5.731 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.583 -5.231 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.569 -2.800 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.226 -2.743 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.419 -1.603 5.648 1.00 0.00 H new ATOM 1002 N VAL A 69 2.945 -5.046 3.987 1.00 0.00 N ATOM 1003 CA VAL A 69 1.822 -5.962 4.151 1.00 0.00 C ATOM 1004 C VAL A 69 2.304 -7.399 4.315 1.00 0.00 C ATOM 1005 O VAL A 69 2.636 -8.068 3.336 1.00 0.00 O ATOM 1006 CB VAL A 69 0.858 -5.888 2.952 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.442 -6.612 3.267 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.593 -4.440 2.570 1.00 0.00 C ATOM 0 H VAL A 69 3.356 -5.046 3.054 1.00 0.00 H new ATOM 0 HA VAL A 69 1.292 -5.655 5.053 1.00 0.00 H new ATOM 0 HB VAL A 69 1.325 -6.384 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.111 -6.549 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.231 -7.659 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.917 -6.148 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.090 -4.407 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.147 -3.916 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.532 -3.957 2.299 1.00 0.00 H new ATOM 1018 N ARG A 70 2.340 -7.867 5.558 1.00 0.00 N ATOM 1019 CA ARG A 70 2.782 -9.225 5.850 1.00 0.00 C ATOM 1020 C ARG A 70 1.615 -10.205 5.774 1.00 0.00 C ATOM 1021 O ARG A 70 1.794 -11.412 5.938 1.00 0.00 O ATOM 1022 CB ARG A 70 3.425 -9.288 7.237 1.00 0.00 C ATOM 1023 CG ARG A 70 4.782 -8.607 7.311 1.00 0.00 C ATOM 1024 CD ARG A 70 5.217 -8.387 8.751 1.00 0.00 C ATOM 1025 NE ARG A 70 5.421 -9.647 9.460 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.552 -10.341 9.417 1.00 0.00 C ATOM 1027 NH1 ARG A 70 7.578 -9.898 8.702 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.661 -11.479 10.090 1.00 0.00 N ATOM 0 H ARG A 70 2.068 -7.326 6.379 1.00 0.00 H new ATOM 0 HA ARG A 70 3.521 -9.508 5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.755 -8.823 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.535 -10.332 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.524 -9.216 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.738 -7.649 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.141 -7.809 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.463 -7.796 9.271 1.00 0.00 H new ATOM 0 HE ARG A 70 4.652 -10.015 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.499 -9.023 8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.446 -10.433 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.875 -11.822 10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.531 -12.011 10.056 1.00 0.00 H new ATOM 1042 N GLU A 71 0.421 -9.677 5.524 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.775 -10.506 5.428 1.00 0.00 C ATOM 1044 C GLU A 71 -1.588 -10.146 4.188 1.00 0.00 C ATOM 1045 O GLU A 71 -2.488 -9.308 4.245 1.00 0.00 O ATOM 1046 CB GLU A 71 -1.637 -10.344 6.682 1.00 0.00 C ATOM 1047 CG GLU A 71 -1.207 -11.235 7.836 1.00 0.00 C ATOM 1048 CD GLU A 71 -0.931 -12.661 7.400 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -1.901 -13.431 7.244 1.00 0.00 O ATOM 1050 OE2 GLU A 71 0.255 -13.007 7.216 1.00 0.00 O ATOM 0 H GLU A 71 0.256 -8.680 5.384 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.460 -11.546 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.602 -9.303 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.674 -10.565 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.310 -10.820 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.986 -11.236 8.599 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.264 -10.784 3.069 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.964 -10.532 1.816 1.00 0.00 C ATOM 1059 C ALA A 72 -3.121 -11.508 1.627 1.00 0.00 C ATOM 1060 O ALA A 72 -2.983 -12.525 0.947 1.00 0.00 O ATOM 1061 CB ALA A 72 -0.998 -10.624 0.644 1.00 0.00 C ATOM 0 H ALA A 72 -0.521 -11.480 3.004 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.376 -9.524 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.535 -10.434 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.208 -9.883 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.559 -11.621 0.612 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.260 -11.193 2.235 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.440 -12.042 2.133 1.00 0.00 C ATOM 1069 C ALA A 73 -6.283 -11.667 0.919 1.00 0.00 C ATOM 1070 O ALA A 73 -6.255 -10.533 0.440 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.271 -11.946 3.405 1.00 0.00 C ATOM 0 H ALA A 73 -4.390 -10.356 2.803 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.106 -13.072 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.149 -12.585 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.672 -12.270 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.587 -10.914 3.556 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.051 -12.640 0.407 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.916 -12.435 -0.758 1.00 0.00 C ATOM 1079 C PRO A 74 -9.102 -11.529 -0.448 1.00 0.00 C ATOM 1080 O PRO A 74 -9.805 -11.079 -1.353 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.397 -13.849 -1.095 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.310 -14.596 0.191 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.134 -14.015 0.927 1.00 0.00 C ATOM 0 HA PRO A 74 -7.389 -11.943 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.417 -13.839 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.772 -14.307 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.227 -14.485 0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.172 -15.663 0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.289 -14.028 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.220 -14.575 0.730 1.00 0.00 H new ATOM 1091 N SER A 75 -9.318 -11.264 0.837 1.00 0.00 N ATOM 1092 CA SER A 75 -10.422 -10.413 1.266 1.00 0.00 C ATOM 1093 C SER A 75 -9.990 -8.951 1.324 1.00 0.00 C ATOM 1094 O SER A 75 -10.785 -8.070 1.651 1.00 0.00 O ATOM 1095 CB SER A 75 -10.934 -10.860 2.637 1.00 0.00 C ATOM 1096 OG SER A 75 -9.938 -10.697 3.632 1.00 0.00 O ATOM 0 H SER A 75 -8.744 -11.626 1.598 1.00 0.00 H new ATOM 0 HA SER A 75 -11.226 -10.507 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.818 -10.281 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.239 -11.905 2.591 1.00 0.00 H new ATOM 0 HG SER A 75 -10.291 -10.988 4.499 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.725 -8.702 1.004 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.186 -7.347 1.018 1.00 0.00 C ATOM 1104 C ASP A 76 -8.010 -6.817 -0.402 1.00 0.00 C ATOM 1105 O ASP A 76 -7.753 -5.631 -0.605 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.847 -7.316 1.757 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.016 -7.195 3.258 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.426 -6.111 3.725 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.741 -8.185 3.967 1.00 0.00 O ATOM 0 H ASP A 76 -8.054 -9.420 0.732 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.896 -6.705 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.289 -8.224 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.254 -6.477 1.393 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.151 -7.705 -1.380 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.009 -7.327 -2.781 1.00 0.00 C ATOM 1116 C ALA A 77 -9.217 -6.528 -3.259 1.00 0.00 C ATOM 1117 O ALA A 77 -10.332 -7.045 -3.316 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.816 -8.564 -3.645 1.00 0.00 C ATOM 0 H ALA A 77 -8.363 -8.691 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.127 -6.693 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.711 -8.266 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.918 -9.093 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.680 -9.220 -3.540 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.987 -5.264 -3.602 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.067 -4.415 -4.070 1.00 0.00 C ATOM 1126 C GLY A 78 -9.571 -3.077 -4.582 1.00 0.00 C ATOM 1127 O GLY A 78 -9.546 -2.839 -5.789 1.00 0.00 O ATOM 0 H GLY A 78 -8.073 -4.813 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.609 -4.927 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.774 -4.250 -3.257 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.178 -2.202 -3.663 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.683 -0.880 -4.029 1.00 0.00 C ATOM 1133 C GLU A 79 -7.972 -0.219 -2.852 1.00 0.00 C ATOM 1134 O GLU A 79 -8.603 0.171 -1.870 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.837 0.007 -4.504 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.383 1.332 -5.092 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.397 1.922 -6.052 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -10.360 1.566 -7.249 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.229 2.741 -5.607 1.00 0.00 O ATOM 0 H GLU A 79 -9.193 -2.384 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.967 -1.001 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.416 -0.534 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.504 0.201 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.199 2.040 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.436 1.189 -5.612 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.652 -0.099 -2.958 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.853 0.514 -1.904 1.00 0.00 C ATOM 1148 C VAL A 80 -5.873 2.035 -2.012 1.00 0.00 C ATOM 1149 O VAL A 80 -5.313 2.609 -2.946 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.393 0.027 -1.951 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.644 0.462 -0.701 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.341 -1.485 -2.114 1.00 0.00 C ATOM 0 H VAL A 80 -6.114 -0.418 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.298 0.214 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.905 0.480 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.614 0.109 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.651 1.550 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.129 0.040 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.302 -1.812 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.845 -1.959 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.839 -1.768 -3.041 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.523 2.683 -1.050 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.615 4.138 -1.036 1.00 0.00 C ATOM 1164 C VAL A 81 -5.708 4.736 0.033 1.00 0.00 C ATOM 1165 O VAL A 81 -5.844 4.434 1.218 1.00 0.00 O ATOM 1166 CB VAL A 81 -8.061 4.606 -0.787 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.118 6.120 -0.660 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.978 4.121 -1.900 1.00 0.00 C ATOM 0 H VAL A 81 -6.993 2.223 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.292 4.485 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.407 4.173 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.148 6.432 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.495 6.439 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.753 6.576 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.995 4.461 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.636 4.522 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.960 3.032 -1.937 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.781 5.587 -0.395 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.849 6.228 0.526 1.00 0.00 C ATOM 1180 C PHE A 82 -4.004 7.745 0.487 1.00 0.00 C ATOM 1181 O PHE A 82 -3.655 8.391 -0.501 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.410 5.842 0.179 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.397 6.874 0.587 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.094 7.935 -0.252 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.750 6.784 1.808 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.163 8.885 0.121 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.182 7.732 2.186 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.476 8.785 1.342 1.00 0.00 C ATOM 0 H PHE A 82 -4.655 5.849 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.077 5.883 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.169 4.896 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.336 5.677 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.591 8.020 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.976 5.963 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.065 9.706 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.680 7.649 3.141 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.203 9.528 1.635 1.00 0.00 H new ATOM 1198 N SER A 83 -4.530 8.308 1.570 1.00 0.00 N ATOM 1199 CA SER A 83 -4.736 9.749 1.659 1.00 0.00 C ATOM 1200 C SER A 83 -3.631 10.406 2.481 1.00 0.00 C ATOM 1201 O SER A 83 -2.993 9.760 3.313 1.00 0.00 O ATOM 1202 CB SER A 83 -6.100 10.053 2.282 1.00 0.00 C ATOM 1203 OG SER A 83 -6.360 11.446 2.285 1.00 0.00 O ATOM 0 H SER A 83 -4.821 7.788 2.398 1.00 0.00 H new ATOM 0 HA SER A 83 -4.706 10.158 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.881 9.535 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.130 9.672 3.303 1.00 0.00 H new ATOM 0 HG SER A 83 -5.888 11.868 1.537 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.411 11.695 2.243 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.385 12.441 2.961 1.00 0.00 C ATOM 1211 C VAL A 84 -2.431 13.922 2.603 1.00 0.00 C ATOM 1212 O VAL A 84 -2.494 14.286 1.428 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.978 11.894 2.656 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.646 12.063 1.182 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.061 12.585 3.527 1.00 0.00 C ATOM 0 H VAL A 84 -3.930 12.244 1.558 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.591 12.321 4.025 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.964 10.829 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.352 11.671 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.374 11.519 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.677 13.121 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.050 12.187 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.047 13.657 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.168 12.407 4.578 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.399 14.773 3.623 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.437 16.216 3.417 1.00 0.00 C ATOM 1227 C ARG A 85 -3.480 16.587 2.366 1.00 0.00 C ATOM 1228 O ARG A 85 -3.282 17.512 1.580 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.061 16.728 2.988 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.566 16.126 1.683 1.00 0.00 C ATOM 1231 CD ARG A 85 0.604 16.913 1.115 1.00 0.00 C ATOM 1232 NE ARG A 85 0.267 18.318 0.903 1.00 0.00 N ATOM 1233 CZ ARG A 85 -0.503 18.747 -0.090 1.00 0.00 C ATOM 1234 NH1 ARG A 85 -1.014 17.885 -0.958 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -0.764 20.042 -0.217 1.00 0.00 N ATOM 0 H ARG A 85 -2.347 14.488 4.601 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.713 16.686 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.102 17.812 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.340 16.510 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.264 15.092 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.380 16.107 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.453 16.842 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.915 16.468 0.170 1.00 0.00 H new ATOM 0 HE ARG A 85 0.644 19.008 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.816 16.889 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.605 18.218 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.373 20.709 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.356 20.371 -0.980 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.591 15.857 2.359 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.648 16.124 1.401 1.00 0.00 C ATOM 1251 C GLY A 86 -5.540 15.256 0.162 1.00 0.00 C ATOM 1252 O GLY A 86 -6.552 14.879 -0.430 1.00 0.00 O ATOM 0 H GLY A 86 -4.778 15.086 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.615 15.956 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.614 17.174 1.110 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.312 14.941 -0.232 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.075 14.113 -1.410 1.00 0.00 C ATOM 1258 C LEU A 87 -4.607 12.699 -1.198 1.00 0.00 C ATOM 1259 O LEU A 87 -4.719 12.229 -0.065 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.581 14.065 -1.732 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.061 15.154 -2.671 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.544 15.101 -2.763 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.686 15.010 -4.051 1.00 0.00 C ATOM 0 H LEU A 87 -3.464 15.246 0.246 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.607 14.559 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.026 14.125 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.356 13.094 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.345 16.124 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.193 15.883 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.114 15.253 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.237 14.128 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.305 15.793 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.432 14.034 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.769 15.099 -3.971 1.00 0.00 H new ATOM 1275 N THR A 88 -4.932 12.024 -2.296 1.00 0.00 N ATOM 1276 CA THR A 88 -5.451 10.664 -2.231 1.00 0.00 C ATOM 1277 C THR A 88 -5.055 9.864 -3.466 1.00 0.00 C ATOM 1278 O THR A 88 -5.131 10.361 -4.590 1.00 0.00 O ATOM 1279 CB THR A 88 -6.986 10.653 -2.097 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.389 11.496 -1.012 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.500 9.240 -1.867 1.00 0.00 C ATOM 0 H THR A 88 -4.845 12.397 -3.241 1.00 0.00 H new ATOM 0 HA THR A 88 -5.013 10.202 -1.346 1.00 0.00 H new ATOM 0 HB THR A 88 -7.412 11.030 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.366 11.485 -0.934 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.586 9.258 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.217 8.608 -2.709 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.066 8.839 -0.951 1.00 0.00 H new ATOM 1289 N SER A 89 -4.631 8.622 -3.252 1.00 0.00 N ATOM 1290 CA SER A 89 -4.220 7.755 -4.349 1.00 0.00 C ATOM 1291 C SER A 89 -5.091 6.504 -4.409 1.00 0.00 C ATOM 1292 O SER A 89 -5.783 6.168 -3.447 1.00 0.00 O ATOM 1293 CB SER A 89 -2.750 7.359 -4.191 1.00 0.00 C ATOM 1294 OG SER A 89 -2.281 6.672 -5.337 1.00 0.00 O ATOM 0 H SER A 89 -4.563 8.194 -2.328 1.00 0.00 H new ATOM 0 HA SER A 89 -4.343 8.307 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.146 8.251 -4.025 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.633 6.727 -3.311 1.00 0.00 H new ATOM 0 HG SER A 89 -1.339 6.432 -5.212 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.052 5.817 -5.545 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.836 4.602 -5.733 1.00 0.00 C ATOM 1302 C LYS A 90 -5.076 3.591 -6.586 1.00 0.00 C ATOM 1303 O LYS A 90 -4.329 3.964 -7.490 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.178 4.933 -6.389 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.268 5.296 -5.395 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.499 5.847 -6.095 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.348 6.684 -5.151 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.709 7.994 -4.844 1.00 0.00 N ATOM 0 H LYS A 90 -4.485 6.081 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.017 4.161 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.039 5.763 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.506 4.077 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.542 4.414 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.888 6.035 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.193 6.455 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.095 5.023 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.328 6.854 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.511 6.133 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.419 8.642 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.944 7.854 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.317 8.402 -5.717 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.274 2.310 -6.294 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.611 1.245 -7.037 1.00 0.00 C ATOM 1324 C ALA A 91 -5.312 -0.092 -6.824 1.00 0.00 C ATOM 1325 O ALA A 91 -6.082 -0.256 -5.879 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.149 1.148 -6.627 1.00 0.00 C ATOM 0 H ALA A 91 -5.888 1.984 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.665 1.488 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.666 0.349 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.649 2.093 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.084 0.932 -5.561 1.00 0.00 H new ATOM 1332 N SER A 92 -5.041 -1.045 -7.711 1.00 0.00 N ATOM 1333 CA SER A 92 -5.649 -2.367 -7.622 1.00 0.00 C ATOM 1334 C SER A 92 -4.659 -3.385 -7.066 1.00 0.00 C ATOM 1335 O SER A 92 -3.532 -3.500 -7.548 1.00 0.00 O ATOM 1336 CB SER A 92 -6.142 -2.817 -8.999 1.00 0.00 C ATOM 1337 OG SER A 92 -7.420 -2.277 -9.286 1.00 0.00 O ATOM 0 H SER A 92 -4.404 -0.926 -8.499 1.00 0.00 H new ATOM 0 HA SER A 92 -6.498 -2.304 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.431 -2.503 -9.763 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.188 -3.905 -9.034 1.00 0.00 H new ATOM 0 HG SER A 92 -7.711 -2.578 -10.172 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.088 -4.121 -6.047 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.240 -5.131 -5.422 1.00 0.00 C ATOM 1345 C LEU A 93 -4.782 -6.533 -5.681 1.00 0.00 C ATOM 1346 O LEU A 93 -5.732 -6.971 -5.031 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.139 -4.880 -3.917 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.574 -6.030 -3.081 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.132 -6.315 -3.472 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.673 -5.709 -1.597 1.00 0.00 C ATOM 0 H LEU A 93 -6.018 -4.038 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.246 -5.059 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.516 -4.000 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.133 -4.639 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.166 -6.924 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.746 -7.136 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.088 -6.589 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.526 -5.424 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.267 -6.538 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.106 -4.803 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.718 -5.555 -1.327 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.171 -7.232 -6.631 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.591 -8.586 -6.973 1.00 0.00 C ATOM 1364 C ILE A 94 -3.999 -9.605 -6.005 1.00 0.00 C ATOM 1365 O ILE A 94 -2.817 -9.542 -5.666 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.178 -8.957 -8.409 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.838 -8.010 -9.414 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.552 -10.401 -8.710 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.036 -7.822 -10.682 1.00 0.00 C ATOM 0 H ILE A 94 -3.384 -6.884 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.678 -8.608 -6.900 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.096 -8.855 -8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.824 -8.396 -9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.989 -7.039 -8.942 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.254 -10.649 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.041 -11.063 -8.011 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.630 -10.527 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.563 -7.139 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.059 -7.407 -10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.907 -8.784 -11.177 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.828 -10.546 -5.566 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.387 -11.582 -4.640 1.00 0.00 C ATOM 1383 C VAL A 95 -4.877 -12.957 -5.079 1.00 0.00 C ATOM 1384 O VAL A 95 -6.071 -13.251 -5.017 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.884 -11.305 -3.208 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.447 -12.416 -2.266 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.381 -9.954 -2.722 1.00 0.00 C ATOM 0 H VAL A 95 -5.809 -10.612 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.297 -11.569 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.974 -11.279 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.807 -12.203 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.861 -13.365 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.359 -12.478 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.741 -9.774 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.291 -9.949 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.750 -9.169 -3.383 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.947 -13.798 -5.521 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.284 -15.143 -5.971 1.00 0.00 C ATOM 1399 C ARG A 96 -4.308 -16.119 -4.799 1.00 0.00 C ATOM 1400 O ARG A 96 -3.283 -16.369 -4.167 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.281 -15.618 -7.024 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.283 -14.777 -8.290 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.369 -15.226 -9.256 1.00 0.00 C ATOM 1404 NE ARG A 96 -3.904 -16.284 -10.149 1.00 0.00 N ATOM 1405 CZ ARG A 96 -4.714 -17.155 -10.740 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -6.022 -17.095 -10.533 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -4.215 -18.089 -11.540 1.00 0.00 N ATOM 0 H ARG A 96 -2.954 -13.571 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.279 -15.111 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.280 -15.606 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.504 -16.653 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.435 -13.729 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.310 -14.847 -8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.232 -15.581 -8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.703 -14.373 -9.847 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.903 -16.358 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.409 -16.379 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.642 -17.765 -10.988 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.209 -18.138 -11.701 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.837 -18.758 -11.994 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.486 -16.666 -4.515 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.643 -17.613 -3.417 1.00 0.00 C ATOM 1423 C GLU A 97 -5.181 -19.007 -3.832 1.00 0.00 C ATOM 1424 O GLU A 97 -5.620 -19.541 -4.850 1.00 0.00 O ATOM 1425 CB GLU A 97 -7.103 -17.662 -2.961 1.00 0.00 C ATOM 1426 CG GLU A 97 -8.042 -18.265 -3.993 1.00 0.00 C ATOM 1427 CD GLU A 97 -9.503 -18.080 -3.629 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.987 -18.802 -2.732 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -10.162 -17.214 -4.242 1.00 0.00 O ATOM 0 H GLU A 97 -6.345 -16.470 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.022 -17.275 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.168 -18.241 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.436 -16.651 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.852 -17.807 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.829 -19.329 -4.096 1.00 0.00 H new ATOM 1436 N ARG A 98 -4.291 -19.590 -3.035 1.00 0.00 N ATOM 1437 CA ARG A 98 -3.767 -20.920 -3.319 1.00 0.00 C ATOM 1438 C ARG A 98 -4.902 -21.925 -3.496 1.00 0.00 C ATOM 1439 O ARG A 98 -4.933 -22.676 -4.471 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.838 -21.377 -2.193 1.00 0.00 C ATOM 1441 CG ARG A 98 -1.943 -22.544 -2.577 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.627 -22.512 -1.814 1.00 0.00 C ATOM 1443 NE ARG A 98 0.456 -23.141 -2.565 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.654 -23.398 -2.050 1.00 0.00 C ATOM 1445 NH1 ARG A 98 1.920 -23.081 -0.791 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.588 -23.973 -2.797 1.00 0.00 N ATOM 0 H ARG A 98 -3.918 -19.162 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.201 -20.869 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.214 -20.538 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.440 -21.661 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.460 -23.482 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.744 -22.514 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.362 -21.478 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.749 -23.022 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 98 0.284 -23.397 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.204 -22.639 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.840 -23.280 -0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.387 -24.218 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.507 -24.170 -2.402 1.00 0.00 H new ATOM 1460 N SER A 99 -5.832 -21.933 -2.547 1.00 0.00 N ATOM 1461 CA SER A 99 -6.966 -22.848 -2.595 1.00 0.00 C ATOM 1462 C SER A 99 -6.524 -24.238 -3.041 1.00 0.00 C ATOM 1463 O SER A 99 -7.202 -24.895 -3.829 1.00 0.00 O ATOM 1464 CB SER A 99 -8.039 -22.313 -3.545 1.00 0.00 C ATOM 1465 OG SER A 99 -9.286 -22.946 -3.315 1.00 0.00 O ATOM 0 H SER A 99 -5.823 -21.316 -1.735 1.00 0.00 H new ATOM 0 HA SER A 99 -7.384 -22.923 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.144 -21.236 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.730 -22.477 -4.577 1.00 0.00 H new ATOM 0 HG SER A 99 -9.170 -23.919 -3.349 1.00 0.00 H new ATOM 1471 N GLY A 100 -5.379 -24.681 -2.529 1.00 0.00 N ATOM 1472 CA GLY A 100 -4.864 -25.990 -2.885 1.00 0.00 C ATOM 1473 C GLY A 100 -4.904 -26.964 -1.725 1.00 0.00 C ATOM 1474 O GLY A 100 -5.482 -26.686 -0.673 1.00 0.00 O ATOM 0 H GLY A 100 -4.799 -24.156 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.446 -26.393 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.837 -25.890 -3.236 1.00 0.00 H new ATOM 1478 N PRO A 101 -4.281 -28.137 -1.910 1.00 0.00 N ATOM 1479 CA PRO A 101 -4.236 -29.180 -0.881 1.00 0.00 C ATOM 1480 C PRO A 101 -3.357 -28.789 0.303 1.00 0.00 C ATOM 1481 O PRO A 101 -3.342 -29.470 1.328 1.00 0.00 O ATOM 1482 CB PRO A 101 -3.636 -30.380 -1.618 1.00 0.00 C ATOM 1483 CG PRO A 101 -2.841 -29.784 -2.728 1.00 0.00 C ATOM 1484 CD PRO A 101 -3.573 -28.536 -3.138 1.00 0.00 C ATOM 0 HA PRO A 101 -5.220 -29.373 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.007 -30.977 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.415 -31.040 -1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.827 -29.552 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.756 -30.479 -3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.886 -27.760 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.266 -28.727 -3.957 1.00 0.00 H new ATOM 1492 N SER A 102 -2.628 -27.688 0.154 1.00 0.00 N ATOM 1493 CA SER A 102 -1.744 -27.208 1.210 1.00 0.00 C ATOM 1494 C SER A 102 -0.735 -28.282 1.604 1.00 0.00 C ATOM 1495 O SER A 102 -0.456 -28.484 2.786 1.00 0.00 O ATOM 1496 CB SER A 102 -2.560 -26.784 2.433 1.00 0.00 C ATOM 1497 OG SER A 102 -1.799 -25.951 3.290 1.00 0.00 O ATOM 0 H SER A 102 -2.632 -27.111 -0.687 1.00 0.00 H new ATOM 0 HA SER A 102 -1.198 -26.345 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.457 -26.256 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.889 -27.668 2.979 1.00 0.00 H new ATOM 0 HG SER A 102 -0.969 -26.409 3.539 1.00 0.00 H new ATOM 1503 N SER A 103 -0.191 -28.969 0.605 1.00 0.00 N ATOM 1504 CA SER A 103 0.785 -30.025 0.846 1.00 0.00 C ATOM 1505 C SER A 103 2.205 -29.516 0.620 1.00 0.00 C ATOM 1506 O SER A 103 2.409 -28.444 0.051 1.00 0.00 O ATOM 1507 CB SER A 103 0.509 -31.221 -0.068 1.00 0.00 C ATOM 1508 OG SER A 103 -0.830 -31.666 0.064 1.00 0.00 O ATOM 0 H SER A 103 -0.410 -28.813 -0.379 1.00 0.00 H new ATOM 0 HA SER A 103 0.692 -30.340 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.703 -30.943 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.192 -32.035 0.177 1.00 0.00 H new ATOM 0 HG SER A 103 -0.981 -32.430 -0.531 1.00 0.00 H new ATOM 1514 N GLY A 104 3.185 -30.293 1.071 1.00 0.00 N ATOM 1515 CA GLY A 104 4.574 -29.904 0.910 1.00 0.00 C ATOM 1516 C GLY A 104 5.429 -30.303 2.096 1.00 0.00 C ATOM 1517 O GLY A 104 6.496 -30.895 1.930 1.00 0.00 O ATOM 0 H GLY A 104 3.042 -31.185 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.974 -30.364 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.632 -28.824 0.771 1.00 0.00 H new TER 1521 GLY A 104