USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 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 17 SER OG : rot 92:sc= 1.14 USER MOD Set 1.2: A 48 THR OG1 : rot 65:sc= 0.995 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.043 (180deg=-0.317) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.29 (180deg=0.729) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 15:sc= 1.14 USER MOD Single : A 24 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 27:sc= 0.467 USER MOD Single : A 46 MET CE :methyl 178:sc= -1.69 (180deg=-1.75) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 138:sc= 1.22 USER MOD Single : A 79 ASN : amide:sc= 0.838 K(o=0.84,f=-7!) USER MOD Single : A 87 SXA O33 : rot -115:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.540 -8.569 -1.400 1.00 4.19 N ATOM 2 CA MET A 1 19.889 -7.298 -2.036 1.00 3.33 C ATOM 3 C MET A 1 19.143 -6.156 -1.377 1.00 2.81 C ATOM 4 O MET A 1 19.758 -5.169 -0.947 1.00 3.10 O ATOM 5 CB MET A 1 19.621 -7.321 -3.557 1.00 3.38 C ATOM 6 CG MET A 1 20.454 -8.334 -4.341 1.00 4.12 C ATOM 7 SD MET A 1 20.047 -10.066 -3.972 1.00 4.79 S ATOM 8 CE MET A 1 18.380 -10.183 -4.645 1.00 5.54 C ATOM 0 H1 MET A 1 19.817 -9.356 -2.021 1.00 4.19 H new ATOM 0 H2 MET A 1 20.041 -8.652 -0.492 1.00 4.19 H new ATOM 0 H3 MET A 1 18.514 -8.604 -1.234 1.00 4.19 H new ATOM 0 HA MET A 1 20.960 -7.145 -1.900 1.00 3.33 H new ATOM 0 HB2 MET A 1 18.565 -7.535 -3.722 1.00 3.38 H new ATOM 0 HB3 MET A 1 19.811 -6.326 -3.960 1.00 3.38 H new ATOM 0 HG2 MET A 1 20.313 -8.157 -5.407 1.00 4.12 H new ATOM 0 HG3 MET A 1 21.509 -8.165 -4.126 1.00 4.12 H new ATOM 0 HE1 MET A 1 18.098 -11.232 -4.738 1.00 5.54 H new ATOM 0 HE2 MET A 1 17.682 -9.677 -3.978 1.00 5.54 H new ATOM 0 HE3 MET A 1 18.350 -9.711 -5.627 1.00 5.54 H new ATOM 20 N ALA A 2 17.840 -6.275 -1.292 1.00 2.62 N ATOM 21 CA ALA A 2 17.002 -5.290 -0.647 1.00 2.47 C ATOM 22 C ALA A 2 15.727 -5.968 -0.231 1.00 1.86 C ATOM 23 O ALA A 2 15.379 -7.011 -0.790 1.00 1.91 O ATOM 24 CB ALA A 2 16.694 -4.140 -1.600 1.00 3.03 C ATOM 0 H ALA A 2 17.324 -7.068 -1.673 1.00 2.62 H new ATOM 0 HA ALA A 2 17.516 -4.876 0.221 1.00 2.47 H new ATOM 0 HB1 ALA A 2 16.062 -3.409 -1.096 1.00 3.03 H new ATOM 0 HB2 ALA A 2 17.625 -3.664 -1.908 1.00 3.03 H new ATOM 0 HB3 ALA A 2 16.175 -4.524 -2.478 1.00 3.03 H new ATOM 30 N THR A 3 15.049 -5.432 0.737 1.00 1.56 N ATOM 31 CA THR A 3 13.806 -5.996 1.155 1.00 1.14 C ATOM 32 C THR A 3 12.711 -5.508 0.205 1.00 0.93 C ATOM 33 O THR A 3 12.315 -4.364 0.243 1.00 1.17 O ATOM 34 CB THR A 3 13.499 -5.525 2.598 1.00 1.54 C ATOM 35 OG1 THR A 3 14.592 -5.908 3.473 1.00 1.88 O ATOM 36 CG2 THR A 3 12.205 -6.147 3.118 1.00 1.93 C ATOM 0 H THR A 3 15.338 -4.601 1.253 1.00 1.56 H new ATOM 0 HA THR A 3 13.852 -7.085 1.136 1.00 1.14 H new ATOM 0 HB THR A 3 13.384 -4.441 2.585 1.00 1.54 H new ATOM 0 HG1 THR A 3 14.400 -5.609 4.386 1.00 1.88 H new ATOM 0 HG21 THR A 3 12.016 -5.798 4.133 1.00 1.93 H new ATOM 0 HG22 THR A 3 11.376 -5.855 2.473 1.00 1.93 H new ATOM 0 HG23 THR A 3 12.298 -7.233 3.119 1.00 1.93 H new ATOM 44 N LEU A 4 12.273 -6.375 -0.660 1.00 0.66 N ATOM 45 CA LEU A 4 11.231 -6.058 -1.581 1.00 0.56 C ATOM 46 C LEU A 4 9.990 -6.755 -1.111 1.00 0.50 C ATOM 47 O LEU A 4 9.985 -7.980 -0.920 1.00 0.76 O ATOM 48 CB LEU A 4 11.603 -6.479 -3.007 1.00 0.65 C ATOM 49 CG LEU A 4 12.874 -5.847 -3.597 1.00 0.79 C ATOM 50 CD1 LEU A 4 13.095 -6.332 -5.016 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.799 -4.325 -3.560 1.00 0.86 C ATOM 0 H LEU A 4 12.633 -7.326 -0.744 1.00 0.66 H new ATOM 0 HA LEU A 4 11.068 -4.981 -1.613 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.721 -7.562 -3.023 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.766 -6.240 -3.663 1.00 0.65 H new ATOM 0 HG LEU A 4 13.721 -6.157 -2.985 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.999 -5.876 -5.420 1.00 0.96 H new ATOM 0 HD12 LEU A 4 13.205 -7.416 -5.017 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.241 -6.053 -5.633 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.711 -3.905 -3.984 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.941 -3.989 -4.142 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.691 -3.991 -2.528 1.00 0.86 H new ATOM 63 N LEU A 5 8.961 -6.009 -0.933 1.00 0.36 N ATOM 64 CA LEU A 5 7.754 -6.490 -0.326 1.00 0.36 C ATOM 65 C LEU A 5 6.927 -7.279 -1.296 1.00 0.39 C ATOM 66 O LEU A 5 6.937 -7.005 -2.509 1.00 0.52 O ATOM 67 CB LEU A 5 6.946 -5.328 0.217 1.00 0.42 C ATOM 68 CG LEU A 5 7.672 -4.406 1.180 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.703 -3.415 1.782 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.384 -5.202 2.258 1.00 0.54 C ATOM 0 H LEU A 5 8.924 -5.027 -1.207 1.00 0.36 H new ATOM 0 HA LEU A 5 8.034 -7.152 0.493 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.590 -4.734 -0.625 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.066 -5.727 0.721 1.00 0.42 H new ATOM 0 HG LEU A 5 8.430 -3.851 0.627 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.235 -2.759 2.471 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.252 -2.819 0.988 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.922 -3.951 2.321 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.897 -4.519 2.936 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.656 -5.790 2.817 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.112 -5.870 1.797 1.00 0.54 H new ATOM 82 N THR A 6 6.233 -8.253 -0.783 1.00 0.36 N ATOM 83 CA THR A 6 5.395 -9.074 -1.592 1.00 0.41 C ATOM 84 C THR A 6 3.933 -8.708 -1.373 1.00 0.30 C ATOM 85 O THR A 6 3.619 -7.727 -0.660 1.00 0.24 O ATOM 86 CB THR A 6 5.609 -10.578 -1.291 1.00 0.56 C ATOM 87 OG1 THR A 6 5.396 -10.822 0.114 1.00 0.59 O ATOM 88 CG2 THR A 6 7.012 -11.027 -1.687 1.00 0.79 C ATOM 0 H THR A 6 6.235 -8.496 0.208 1.00 0.36 H new ATOM 0 HA THR A 6 5.664 -8.896 -2.633 1.00 0.41 H new ATOM 0 HB THR A 6 4.893 -11.152 -1.879 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.530 -11.774 0.305 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.131 -12.087 -1.463 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.159 -10.862 -2.754 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.750 -10.453 -1.126 1.00 0.79 H new ATOM 96 N THR A 7 3.051 -9.493 -1.958 1.00 0.33 N ATOM 97 CA THR A 7 1.629 -9.349 -1.808 1.00 0.32 C ATOM 98 C THR A 7 1.216 -9.411 -0.326 1.00 0.24 C ATOM 99 O THR A 7 0.302 -8.729 0.080 1.00 0.26 O ATOM 100 CB THR A 7 0.926 -10.446 -2.625 1.00 0.44 C ATOM 101 OG1 THR A 7 1.431 -10.382 -3.968 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.583 -10.249 -2.648 1.00 0.55 C ATOM 0 H THR A 7 3.317 -10.268 -2.566 1.00 0.33 H new ATOM 0 HA THR A 7 1.326 -8.371 -2.182 1.00 0.32 H new ATOM 0 HB THR A 7 1.126 -11.415 -2.167 1.00 0.44 H new ATOM 0 HG1 THR A 7 1.000 -11.073 -4.513 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.045 -11.043 -3.235 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.969 -10.279 -1.629 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.817 -9.284 -3.097 1.00 0.55 H new ATOM 110 N ASP A 8 1.939 -10.197 0.483 1.00 0.28 N ATOM 111 CA ASP A 8 1.603 -10.337 1.906 1.00 0.31 C ATOM 112 C ASP A 8 1.906 -9.071 2.683 1.00 0.24 C ATOM 113 O ASP A 8 1.131 -8.656 3.533 1.00 0.28 O ATOM 114 CB ASP A 8 2.319 -11.513 2.558 1.00 0.46 C ATOM 115 CG ASP A 8 2.000 -11.612 4.044 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.915 -12.098 4.404 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.829 -11.187 4.877 1.00 1.61 O ATOM 0 H ASP A 8 2.749 -10.739 0.182 1.00 0.28 H new ATOM 0 HA ASP A 8 0.530 -10.526 1.940 1.00 0.31 H new ATOM 0 HB2 ASP A 8 2.027 -12.438 2.061 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.395 -11.404 2.423 1.00 0.46 H new ATOM 122 N ASP A 9 3.013 -8.443 2.373 1.00 0.24 N ATOM 123 CA ASP A 9 3.405 -7.214 3.072 1.00 0.28 C ATOM 124 C ASP A 9 2.442 -6.109 2.729 1.00 0.24 C ATOM 125 O ASP A 9 2.035 -5.315 3.591 1.00 0.30 O ATOM 126 CB ASP A 9 4.813 -6.785 2.695 1.00 0.38 C ATOM 127 CG ASP A 9 5.848 -7.822 3.003 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.180 -8.002 4.191 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.367 -8.466 2.067 1.00 1.78 O ATOM 0 H ASP A 9 3.664 -8.748 1.649 1.00 0.24 H new ATOM 0 HA ASP A 9 3.383 -7.415 4.143 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.843 -6.556 1.630 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.060 -5.866 3.226 1.00 0.38 H new ATOM 134 N LEU A 10 2.070 -6.078 1.463 1.00 0.19 N ATOM 135 CA LEU A 10 1.113 -5.125 0.949 1.00 0.23 C ATOM 136 C LEU A 10 -0.262 -5.419 1.561 1.00 0.24 C ATOM 137 O LEU A 10 -0.982 -4.509 1.958 1.00 0.30 O ATOM 138 CB LEU A 10 1.064 -5.240 -0.574 1.00 0.27 C ATOM 139 CG LEU A 10 0.233 -4.203 -1.316 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.811 -2.804 -1.128 1.00 0.47 C ATOM 141 CD2 LEU A 10 0.163 -4.561 -2.780 1.00 0.47 C ATOM 0 H LEU A 10 2.429 -6.722 0.758 1.00 0.19 H new ATOM 0 HA LEU A 10 1.405 -4.109 1.214 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.085 -5.189 -0.951 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.679 -6.228 -0.828 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.776 -4.201 -0.903 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.199 -2.082 -1.668 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.818 -2.553 -0.067 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.830 -2.776 -1.514 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.433 -3.817 -3.308 1.00 0.47 H new ATOM 0 HD22 LEU A 10 1.170 -4.583 -3.198 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.299 -5.542 -2.893 1.00 0.47 H new ATOM 153 N ARG A 11 -0.588 -6.711 1.633 1.00 0.24 N ATOM 154 CA ARG A 11 -1.799 -7.236 2.279 1.00 0.30 C ATOM 155 C ARG A 11 -1.952 -6.644 3.651 1.00 0.33 C ATOM 156 O ARG A 11 -2.954 -6.018 3.950 1.00 0.38 O ATOM 157 CB ARG A 11 -1.678 -8.767 2.419 1.00 0.36 C ATOM 158 CG ARG A 11 -2.637 -9.397 3.410 1.00 0.51 C ATOM 159 CD ARG A 11 -2.189 -10.783 3.794 1.00 0.73 C ATOM 160 NE ARG A 11 -3.006 -11.318 4.875 1.00 0.97 N ATOM 161 CZ ARG A 11 -2.545 -11.968 5.939 1.00 1.30 C ATOM 162 NH1 ARG A 11 -1.247 -12.269 6.054 1.00 1.81 N ATOM 163 NH2 ARG A 11 -3.401 -12.332 6.879 1.00 1.98 N ATOM 0 H ARG A 11 -0.002 -7.444 1.233 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.664 -6.975 1.669 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -1.840 -9.220 1.441 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -0.658 -9.010 2.718 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -2.705 -8.774 4.302 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -3.636 -9.442 2.976 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -2.250 -11.441 2.928 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -1.144 -10.758 4.102 1.00 0.73 H new ATOM 0 HE ARG A 11 -4.015 -11.183 4.810 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -0.594 -11.999 5.318 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -0.910 -12.768 6.877 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -4.392 -12.113 6.779 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -3.070 -12.832 7.704 1.00 1.98 H new ATOM 177 N ARG A 12 -0.924 -6.835 4.461 1.00 0.33 N ATOM 178 CA ARG A 12 -0.904 -6.388 5.842 1.00 0.39 C ATOM 179 C ARG A 12 -1.214 -4.912 5.932 1.00 0.39 C ATOM 180 O ARG A 12 -2.021 -4.492 6.747 1.00 0.48 O ATOM 181 CB ARG A 12 0.450 -6.692 6.475 1.00 0.49 C ATOM 182 CG ARG A 12 0.772 -8.169 6.553 1.00 0.77 C ATOM 183 CD ARG A 12 2.157 -8.402 7.113 1.00 0.90 C ATOM 184 NE ARG A 12 2.462 -9.829 7.235 1.00 1.28 N ATOM 185 CZ ARG A 12 2.800 -10.426 8.380 1.00 1.77 C ATOM 186 NH1 ARG A 12 2.992 -9.702 9.478 1.00 2.08 N ATOM 187 NH2 ARG A 12 2.957 -11.734 8.422 1.00 2.59 N ATOM 0 H ARG A 12 -0.069 -7.311 4.173 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.674 -6.929 6.391 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.229 -6.190 5.902 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.473 -6.271 7.480 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.035 -8.671 7.180 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.700 -8.612 5.560 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.895 -7.927 6.467 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.238 -7.928 8.091 1.00 0.90 H new ATOM 0 HE ARG A 12 2.413 -10.402 6.393 1.00 1.28 H new ATOM 0 HH11 ARG A 12 2.881 -8.689 9.446 1.00 2.08 H new ATOM 0 HH12 ARG A 12 3.250 -10.160 10.352 1.00 2.08 H new ATOM 0 HH21 ARG A 12 2.820 -12.291 7.579 1.00 2.59 H new ATOM 0 HH22 ARG A 12 3.215 -12.189 9.298 1.00 2.59 H new ATOM 201 N ALA A 13 -0.626 -4.146 5.047 1.00 0.35 N ATOM 202 CA ALA A 13 -0.839 -2.724 5.027 1.00 0.41 C ATOM 203 C ALA A 13 -2.285 -2.387 4.656 1.00 0.42 C ATOM 204 O ALA A 13 -2.949 -1.654 5.379 1.00 0.50 O ATOM 205 CB ALA A 13 0.140 -2.048 4.091 1.00 0.48 C ATOM 0 H ALA A 13 0.009 -4.489 4.326 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.661 -2.342 6.032 1.00 0.41 H new ATOM 0 HB1 ALA A 13 -0.039 -0.973 4.092 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.159 -2.246 4.425 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.007 -2.438 3.082 1.00 0.48 H new ATOM 211 N LEU A 14 -2.784 -2.956 3.568 1.00 0.41 N ATOM 212 CA LEU A 14 -4.157 -2.673 3.133 1.00 0.49 C ATOM 213 C LEU A 14 -5.219 -3.202 4.098 1.00 0.55 C ATOM 214 O LEU A 14 -6.333 -2.683 4.142 1.00 0.72 O ATOM 215 CB LEU A 14 -4.450 -3.128 1.697 1.00 0.51 C ATOM 216 CG LEU A 14 -3.997 -2.202 0.558 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.493 -2.145 0.422 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.644 -2.618 -0.741 1.00 0.92 C ATOM 0 H LEU A 14 -2.273 -3.608 2.973 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.222 -1.585 3.144 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.980 -4.100 1.549 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.526 -3.277 1.603 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.323 -1.193 0.809 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.227 -1.477 -0.397 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.058 -1.773 1.350 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.108 -3.144 0.215 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.315 -1.954 -1.540 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.357 -3.642 -0.979 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.728 -2.558 -0.643 1.00 0.92 H new ATOM 230 N VAL A 15 -4.894 -4.228 4.845 1.00 0.51 N ATOM 231 CA VAL A 15 -5.802 -4.719 5.862 1.00 0.60 C ATOM 232 C VAL A 15 -5.759 -3.772 7.060 1.00 0.58 C ATOM 233 O VAL A 15 -6.730 -3.080 7.351 1.00 0.66 O ATOM 234 CB VAL A 15 -5.433 -6.167 6.335 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.356 -6.623 7.463 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.517 -7.155 5.184 1.00 0.76 C ATOM 0 H VAL A 15 -4.014 -4.739 4.772 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.802 -4.758 5.430 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.407 -6.138 6.703 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -6.080 -7.631 7.774 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.260 -5.943 8.309 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.388 -6.622 7.112 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.256 -8.152 5.540 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.532 -7.166 4.787 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.823 -6.857 4.398 1.00 0.76 H new ATOM 246 N GLU A 16 -4.606 -3.707 7.698 1.00 0.55 N ATOM 247 CA GLU A 16 -4.425 -3.000 8.957 1.00 0.63 C ATOM 248 C GLU A 16 -4.663 -1.474 8.884 1.00 0.58 C ATOM 249 O GLU A 16 -4.989 -0.856 9.903 1.00 0.67 O ATOM 250 CB GLU A 16 -3.055 -3.332 9.542 1.00 0.82 C ATOM 251 CG GLU A 16 -2.865 -4.826 9.812 1.00 1.16 C ATOM 252 CD GLU A 16 -1.500 -5.164 10.342 1.00 1.67 C ATOM 253 OE1 GLU A 16 -1.247 -4.971 11.556 1.00 1.83 O ATOM 254 OE2 GLU A 16 -0.628 -5.585 9.567 1.00 2.43 O ATOM 0 H GLU A 16 -3.754 -4.150 7.353 1.00 0.55 H new ATOM 0 HA GLU A 16 -5.208 -3.358 9.626 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.281 -2.992 8.855 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.920 -2.780 10.472 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -3.618 -5.158 10.527 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -3.036 -5.380 8.889 1.00 1.16 H new ATOM 261 N SER A 17 -4.544 -0.871 7.711 1.00 0.52 N ATOM 262 CA SER A 17 -4.769 0.571 7.598 1.00 0.62 C ATOM 263 C SER A 17 -6.266 0.892 7.602 1.00 0.70 C ATOM 264 O SER A 17 -6.705 1.828 8.269 1.00 0.94 O ATOM 265 CB SER A 17 -4.099 1.136 6.348 1.00 0.67 C ATOM 266 OG SER A 17 -2.723 0.787 6.322 1.00 1.26 O ATOM 0 H SER A 17 -4.299 -1.340 6.839 1.00 0.52 H new ATOM 0 HA SER A 17 -4.316 1.048 8.467 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.595 0.751 5.457 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.206 2.221 6.329 1.00 0.67 H new ATOM 0 HG SER A 17 -2.607 -0.050 5.826 1.00 1.26 H new ATOM 272 N ALA A 18 -7.042 0.118 6.867 1.00 0.61 N ATOM 273 CA ALA A 18 -8.481 0.297 6.844 1.00 0.79 C ATOM 274 C ALA A 18 -9.067 -0.240 8.130 1.00 0.97 C ATOM 275 O ALA A 18 -9.780 0.463 8.858 1.00 1.23 O ATOM 276 CB ALA A 18 -9.095 -0.420 5.649 1.00 0.82 C ATOM 0 H ALA A 18 -6.700 -0.641 6.278 1.00 0.61 H new ATOM 0 HA ALA A 18 -8.706 1.360 6.752 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -10.175 -0.272 5.652 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.676 -0.016 4.728 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.874 -1.486 5.711 1.00 0.82 H new ATOM 282 N GLY A 19 -8.733 -1.463 8.426 1.00 1.02 N ATOM 283 CA GLY A 19 -9.214 -2.098 9.595 1.00 1.29 C ATOM 284 C GLY A 19 -9.002 -3.573 9.518 1.00 1.50 C ATOM 285 O GLY A 19 -9.368 -4.203 8.519 1.00 2.02 O ATOM 0 H GLY A 19 -8.117 -2.041 7.854 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.702 -1.697 10.470 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -10.275 -1.884 9.721 1.00 1.29 H new ATOM 289 N GLU A 20 -8.364 -4.120 10.523 1.00 1.87 N ATOM 290 CA GLU A 20 -8.160 -5.551 10.615 1.00 2.49 C ATOM 291 C GLU A 20 -9.518 -6.225 10.683 1.00 2.35 C ATOM 292 O GLU A 20 -10.286 -5.969 11.613 1.00 2.86 O ATOM 293 CB GLU A 20 -7.345 -5.879 11.856 1.00 3.34 C ATOM 294 CG GLU A 20 -5.934 -5.315 11.837 1.00 3.88 C ATOM 295 CD GLU A 20 -5.214 -5.547 13.134 1.00 4.57 C ATOM 296 OE1 GLU A 20 -5.432 -6.601 13.764 1.00 5.20 O ATOM 297 OE2 GLU A 20 -4.458 -4.655 13.583 1.00 4.79 O ATOM 0 H GLU A 20 -7.971 -3.590 11.301 1.00 1.87 H new ATOM 0 HA GLU A 20 -7.614 -5.910 9.743 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -7.867 -5.495 12.733 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -7.291 -6.962 11.966 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -5.372 -5.774 11.024 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -5.975 -4.245 11.632 1.00 3.88 H new ATOM 304 N THR A 21 -9.823 -7.051 9.686 1.00 2.33 N ATOM 305 CA THR A 21 -11.116 -7.709 9.526 1.00 2.61 C ATOM 306 C THR A 21 -12.258 -6.700 9.401 1.00 2.41 C ATOM 307 O THR A 21 -13.346 -6.880 9.950 1.00 3.04 O ATOM 308 CB THR A 21 -11.411 -8.836 10.579 1.00 3.66 C ATOM 309 OG1 THR A 21 -11.331 -8.349 11.929 1.00 4.09 O ATOM 310 CG2 THR A 21 -10.432 -9.982 10.404 1.00 4.35 C ATOM 0 H THR A 21 -9.160 -7.287 8.948 1.00 2.33 H new ATOM 0 HA THR A 21 -11.050 -8.243 8.578 1.00 2.61 H new ATOM 0 HB THR A 21 -12.430 -9.181 10.403 1.00 3.66 H new ATOM 0 HG1 THR A 21 -11.337 -7.369 11.924 1.00 4.09 H new ATOM 0 HG21 THR A 21 -10.645 -10.758 11.139 1.00 4.35 H new ATOM 0 HG22 THR A 21 -10.531 -10.395 9.400 1.00 4.35 H new ATOM 0 HG23 THR A 21 -9.415 -9.617 10.547 1.00 4.35 H new ATOM 318 N ASP A 22 -11.982 -5.633 8.640 1.00 2.19 N ATOM 319 CA ASP A 22 -12.957 -4.571 8.340 1.00 2.51 C ATOM 320 C ASP A 22 -14.138 -5.148 7.599 1.00 2.23 C ATOM 321 O ASP A 22 -15.289 -4.850 7.897 1.00 2.75 O ATOM 322 CB ASP A 22 -12.303 -3.491 7.451 1.00 3.10 C ATOM 323 CG ASP A 22 -13.261 -2.391 7.014 1.00 3.82 C ATOM 324 OD1 ASP A 22 -13.943 -2.536 5.964 1.00 4.16 O ATOM 325 OD2 ASP A 22 -13.339 -1.353 7.700 1.00 4.46 O ATOM 0 H ASP A 22 -11.069 -5.479 8.211 1.00 2.19 H new ATOM 0 HA ASP A 22 -13.287 -4.130 9.281 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -11.472 -3.041 7.994 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -11.884 -3.968 6.565 1.00 3.10 H new ATOM 330 N GLY A 23 -13.826 -6.005 6.672 1.00 2.01 N ATOM 331 CA GLY A 23 -14.800 -6.581 5.804 1.00 2.24 C ATOM 332 C GLY A 23 -14.188 -6.731 4.455 1.00 1.82 C ATOM 333 O GLY A 23 -14.470 -7.665 3.724 1.00 2.14 O ATOM 0 H GLY A 23 -12.873 -6.326 6.498 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -15.123 -7.550 6.185 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -15.685 -5.947 5.752 1.00 2.24 H new ATOM 337 N THR A 24 -13.327 -5.799 4.137 1.00 1.57 N ATOM 338 CA THR A 24 -12.581 -5.826 2.926 1.00 1.43 C ATOM 339 C THR A 24 -11.112 -6.106 3.247 1.00 1.45 C ATOM 340 O THR A 24 -10.278 -5.217 3.278 1.00 1.91 O ATOM 341 CB THR A 24 -12.766 -4.503 2.091 1.00 1.62 C ATOM 342 OG1 THR A 24 -11.974 -4.528 0.889 1.00 2.20 O ATOM 343 CG2 THR A 24 -12.442 -3.243 2.895 1.00 1.81 C ATOM 0 H THR A 24 -13.128 -4.992 4.728 1.00 1.57 H new ATOM 0 HA THR A 24 -12.960 -6.630 2.294 1.00 1.43 H new ATOM 0 HB THR A 24 -13.822 -4.463 1.826 1.00 1.62 H new ATOM 0 HG1 THR A 24 -12.227 -3.775 0.315 1.00 2.20 H new ATOM 0 HG21 THR A 24 -12.588 -2.364 2.268 1.00 1.81 H new ATOM 0 HG22 THR A 24 -13.102 -3.184 3.761 1.00 1.81 H new ATOM 0 HG23 THR A 24 -11.406 -3.282 3.230 1.00 1.81 H new ATOM 351 N ASP A 25 -10.830 -7.325 3.598 1.00 1.48 N ATOM 352 CA ASP A 25 -9.471 -7.717 3.899 1.00 1.62 C ATOM 353 C ASP A 25 -8.782 -7.978 2.596 1.00 1.23 C ATOM 354 O ASP A 25 -9.262 -8.758 1.788 1.00 1.29 O ATOM 355 CB ASP A 25 -9.418 -8.975 4.781 1.00 2.15 C ATOM 356 CG ASP A 25 -10.104 -8.797 6.119 1.00 2.70 C ATOM 357 OD1 ASP A 25 -11.353 -8.987 6.189 1.00 3.10 O ATOM 358 OD2 ASP A 25 -9.418 -8.488 7.115 1.00 3.20 O ATOM 0 H ASP A 25 -11.519 -8.072 3.685 1.00 1.48 H new ATOM 0 HA ASP A 25 -8.979 -6.920 4.457 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -9.885 -9.804 4.249 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -8.376 -9.250 4.948 1.00 2.15 H new ATOM 363 N LEU A 26 -7.680 -7.337 2.376 1.00 1.06 N ATOM 364 CA LEU A 26 -6.984 -7.449 1.134 1.00 0.81 C ATOM 365 C LEU A 26 -5.935 -8.503 1.228 1.00 0.84 C ATOM 366 O LEU A 26 -4.777 -8.227 1.480 1.00 1.12 O ATOM 367 CB LEU A 26 -6.377 -6.113 0.641 1.00 0.93 C ATOM 368 CG LEU A 26 -7.345 -5.006 0.181 1.00 0.93 C ATOM 369 CD1 LEU A 26 -8.359 -5.538 -0.815 1.00 1.12 C ATOM 370 CD2 LEU A 26 -8.020 -4.302 1.347 1.00 1.24 C ATOM 0 H LEU A 26 -7.235 -6.719 3.054 1.00 1.06 H new ATOM 0 HA LEU A 26 -7.725 -7.734 0.387 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -5.764 -5.707 1.446 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -5.707 -6.337 -0.189 1.00 0.93 H new ATOM 0 HG LEU A 26 -6.743 -4.253 -0.328 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -9.027 -4.732 -1.120 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -7.839 -5.929 -1.690 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -8.940 -6.335 -0.352 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -8.691 -3.532 0.968 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -8.591 -5.026 1.928 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -7.263 -3.843 1.982 1.00 1.24 H new ATOM 382 N SER A 27 -6.372 -9.696 1.138 1.00 0.86 N ATOM 383 CA SER A 27 -5.496 -10.832 1.127 1.00 0.94 C ATOM 384 C SER A 27 -5.844 -11.729 -0.048 1.00 1.11 C ATOM 385 O SER A 27 -6.846 -12.442 -0.019 1.00 1.82 O ATOM 386 CB SER A 27 -5.586 -11.591 2.454 1.00 1.29 C ATOM 387 OG SER A 27 -4.692 -12.706 2.506 1.00 1.78 O ATOM 0 H SER A 27 -7.362 -9.932 1.068 1.00 0.86 H new ATOM 0 HA SER A 27 -4.466 -10.495 1.012 1.00 0.94 H new ATOM 0 HB2 SER A 27 -5.361 -10.910 3.275 1.00 1.29 H new ATOM 0 HB3 SER A 27 -6.608 -11.941 2.601 1.00 1.29 H new ATOM 0 HG SER A 27 -4.783 -13.158 3.371 1.00 1.78 H new ATOM 393 N GLY A 28 -5.045 -11.664 -1.078 1.00 1.06 N ATOM 394 CA GLY A 28 -5.277 -12.462 -2.238 1.00 1.30 C ATOM 395 C GLY A 28 -4.716 -11.796 -3.456 1.00 1.12 C ATOM 396 O GLY A 28 -3.646 -11.198 -3.400 1.00 1.42 O ATOM 0 H GLY A 28 -4.224 -11.061 -1.132 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -4.819 -13.443 -2.109 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -6.347 -12.625 -2.366 1.00 1.30 H new ATOM 400 N ASP A 29 -5.459 -11.813 -4.522 1.00 1.15 N ATOM 401 CA ASP A 29 -5.017 -11.261 -5.799 1.00 1.06 C ATOM 402 C ASP A 29 -5.495 -9.829 -5.952 1.00 0.95 C ATOM 403 O ASP A 29 -5.812 -9.357 -7.042 1.00 1.46 O ATOM 404 CB ASP A 29 -5.529 -12.125 -6.945 1.00 1.33 C ATOM 405 CG ASP A 29 -7.040 -12.150 -7.082 1.00 1.79 C ATOM 406 OD1 ASP A 29 -7.710 -12.740 -6.216 1.00 2.27 O ATOM 407 OD2 ASP A 29 -7.589 -11.523 -8.024 1.00 2.15 O ATOM 0 H ASP A 29 -6.398 -12.210 -4.546 1.00 1.15 H new ATOM 0 HA ASP A 29 -3.927 -11.259 -5.824 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -5.097 -11.763 -7.878 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -5.172 -13.145 -6.803 1.00 1.33 H new ATOM 412 N PHE A 30 -5.386 -9.107 -4.880 1.00 0.50 N ATOM 413 CA PHE A 30 -5.905 -7.762 -4.779 1.00 0.39 C ATOM 414 C PHE A 30 -4.992 -6.744 -5.450 1.00 0.32 C ATOM 415 O PHE A 30 -5.305 -5.561 -5.490 1.00 0.31 O ATOM 416 CB PHE A 30 -6.102 -7.398 -3.310 1.00 0.39 C ATOM 417 CG PHE A 30 -4.826 -7.276 -2.509 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.227 -8.389 -1.962 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.230 -6.040 -2.314 1.00 0.41 C ATOM 420 CE1 PHE A 30 -3.064 -8.278 -1.239 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.068 -5.926 -1.594 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.485 -7.044 -1.058 1.00 0.53 C ATOM 0 H PHE A 30 -4.927 -9.435 -4.030 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.862 -7.735 -5.301 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.641 -6.452 -3.254 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.735 -8.154 -2.845 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.677 -9.361 -2.103 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -4.686 -5.156 -2.734 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.605 -9.158 -0.814 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -2.614 -4.957 -1.450 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.569 -6.956 -0.492 1.00 0.53 H new ATOM 432 N LEU A 31 -3.876 -7.221 -5.972 1.00 0.33 N ATOM 433 CA LEU A 31 -2.866 -6.395 -6.617 1.00 0.32 C ATOM 434 C LEU A 31 -3.449 -5.439 -7.656 1.00 0.28 C ATOM 435 O LEU A 31 -3.050 -4.280 -7.723 1.00 0.33 O ATOM 436 CB LEU A 31 -1.781 -7.265 -7.247 1.00 0.41 C ATOM 437 CG LEU A 31 -0.924 -8.085 -6.279 1.00 0.61 C ATOM 438 CD1 LEU A 31 0.036 -8.978 -7.045 1.00 1.29 C ATOM 439 CD2 LEU A 31 -0.150 -7.166 -5.345 1.00 0.98 C ATOM 0 H LEU A 31 -3.640 -8.213 -5.960 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.426 -5.778 -5.834 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.256 -7.951 -7.949 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.121 -6.621 -7.828 1.00 0.41 H new ATOM 0 HG LEU A 31 -1.586 -8.713 -5.683 1.00 0.61 H new ATOM 0 HD11 LEU A 31 0.637 -9.554 -6.341 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -0.529 -9.659 -7.681 1.00 1.29 H new ATOM 0 HD13 LEU A 31 0.690 -8.363 -7.663 1.00 1.29 H new ATOM 0 HD21 LEU A 31 0.454 -7.765 -4.663 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.500 -6.516 -5.931 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.849 -6.558 -4.771 1.00 0.98 H new ATOM 451 N ASP A 32 -4.386 -5.912 -8.443 1.00 0.32 N ATOM 452 CA ASP A 32 -4.970 -5.083 -9.489 1.00 0.43 C ATOM 453 C ASP A 32 -6.385 -4.625 -9.154 1.00 0.36 C ATOM 454 O ASP A 32 -7.095 -4.112 -10.019 1.00 0.42 O ATOM 455 CB ASP A 32 -4.928 -5.779 -10.853 1.00 0.69 C ATOM 456 CG ASP A 32 -5.743 -7.045 -10.937 1.00 1.22 C ATOM 457 OD1 ASP A 32 -5.204 -8.130 -10.598 1.00 1.74 O ATOM 458 OD2 ASP A 32 -6.898 -6.991 -11.411 1.00 1.99 O ATOM 0 H ASP A 32 -4.763 -6.858 -8.386 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.351 -4.188 -9.548 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -5.283 -5.083 -11.613 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -3.891 -6.013 -11.095 1.00 0.69 H new ATOM 463 N LEU A 33 -6.780 -4.756 -7.900 1.00 0.32 N ATOM 464 CA LEU A 33 -8.103 -4.313 -7.488 1.00 0.33 C ATOM 465 C LEU A 33 -8.085 -2.819 -7.252 1.00 0.31 C ATOM 466 O LEU A 33 -7.132 -2.283 -6.713 1.00 0.45 O ATOM 467 CB LEU A 33 -8.605 -5.062 -6.250 1.00 0.40 C ATOM 468 CG LEU A 33 -8.855 -6.565 -6.429 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.395 -7.165 -5.148 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.819 -6.824 -7.579 1.00 0.58 C ATOM 0 H LEU A 33 -6.212 -5.161 -7.156 1.00 0.32 H new ATOM 0 HA LEU A 33 -8.803 -4.542 -8.291 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.878 -4.928 -5.449 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.533 -4.596 -5.920 1.00 0.40 H new ATOM 0 HG LEU A 33 -7.904 -7.041 -6.668 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.568 -8.232 -5.290 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.673 -7.018 -4.345 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.334 -6.678 -4.885 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -9.979 -7.897 -7.685 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.770 -6.333 -7.374 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.398 -6.427 -8.503 1.00 0.58 H new ATOM 482 N ARG A 34 -9.114 -2.159 -7.677 1.00 0.28 N ATOM 483 CA ARG A 34 -9.158 -0.723 -7.627 1.00 0.31 C ATOM 484 C ARG A 34 -9.523 -0.224 -6.237 1.00 0.29 C ATOM 485 O ARG A 34 -10.539 -0.650 -5.654 1.00 0.34 O ATOM 486 CB ARG A 34 -10.113 -0.172 -8.686 1.00 0.48 C ATOM 487 CG ARG A 34 -9.824 -0.693 -10.087 1.00 0.73 C ATOM 488 CD ARG A 34 -10.611 0.061 -11.138 1.00 1.02 C ATOM 489 NE ARG A 34 -10.170 1.453 -11.214 1.00 1.90 N ATOM 490 CZ ARG A 34 -10.786 2.442 -11.849 1.00 2.41 C ATOM 491 NH1 ARG A 34 -11.869 2.206 -12.579 1.00 2.17 N ATOM 492 NH2 ARG A 34 -10.299 3.670 -11.755 1.00 3.51 N ATOM 0 H ARG A 34 -9.949 -2.594 -8.069 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.158 -0.351 -7.850 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.136 -0.432 -8.413 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.051 0.916 -8.691 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.758 -0.603 -10.296 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -10.070 -1.754 -10.139 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -10.485 -0.419 -12.108 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.674 0.024 -10.900 1.00 1.02 H new ATOM 0 HE ARG A 34 -9.303 1.687 -10.731 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -12.235 1.257 -12.656 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -12.335 2.973 -13.063 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -9.461 3.845 -11.200 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -10.762 4.440 -12.238 1.00 3.51 H new ATOM 506 N PHE A 35 -8.690 0.667 -5.706 1.00 0.30 N ATOM 507 CA PHE A 35 -8.890 1.281 -4.388 1.00 0.34 C ATOM 508 C PHE A 35 -10.299 1.840 -4.184 1.00 0.38 C ATOM 509 O PHE A 35 -10.859 1.730 -3.080 1.00 0.41 O ATOM 510 CB PHE A 35 -7.847 2.362 -4.091 1.00 0.38 C ATOM 511 CG PHE A 35 -6.464 1.846 -3.808 1.00 0.37 C ATOM 512 CD1 PHE A 35 -6.204 1.134 -2.650 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.430 2.084 -4.679 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.941 0.670 -2.373 1.00 0.42 C ATOM 515 CE2 PHE A 35 -4.159 1.628 -4.408 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.916 0.919 -3.254 1.00 0.44 C ATOM 0 H PHE A 35 -7.847 0.989 -6.181 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.760 0.466 -3.676 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.798 3.043 -4.941 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.184 2.946 -3.234 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -7.006 0.940 -1.953 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.616 2.636 -5.589 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.754 0.112 -1.467 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.354 1.827 -5.100 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.921 0.558 -3.041 1.00 0.44 H new ATOM 526 N GLU A 36 -10.867 2.426 -5.237 1.00 0.44 N ATOM 527 CA GLU A 36 -12.217 2.987 -5.209 1.00 0.52 C ATOM 528 C GLU A 36 -13.266 1.983 -4.713 1.00 0.52 C ATOM 529 O GLU A 36 -14.179 2.349 -3.967 1.00 0.58 O ATOM 530 CB GLU A 36 -12.633 3.542 -6.586 1.00 0.64 C ATOM 531 CG GLU A 36 -12.475 2.563 -7.747 1.00 1.23 C ATOM 532 CD GLU A 36 -13.194 3.013 -8.997 1.00 1.60 C ATOM 533 OE1 GLU A 36 -12.790 3.994 -9.627 1.00 2.06 O ATOM 534 OE2 GLU A 36 -14.199 2.365 -9.374 1.00 1.97 O ATOM 0 H GLU A 36 -10.401 2.525 -6.139 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.180 3.809 -4.495 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.675 3.857 -6.535 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -12.040 4.432 -6.797 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.415 2.438 -7.969 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -12.855 1.587 -7.447 1.00 1.23 H new ATOM 541 N ASP A 37 -13.089 0.724 -5.068 1.00 0.49 N ATOM 542 CA ASP A 37 -14.058 -0.321 -4.739 1.00 0.55 C ATOM 543 C ASP A 37 -13.826 -0.869 -3.334 1.00 0.55 C ATOM 544 O ASP A 37 -14.763 -1.281 -2.642 1.00 0.66 O ATOM 545 CB ASP A 37 -13.985 -1.452 -5.775 1.00 0.62 C ATOM 546 CG ASP A 37 -14.977 -2.570 -5.517 1.00 0.74 C ATOM 547 OD1 ASP A 37 -16.145 -2.456 -5.914 1.00 0.92 O ATOM 548 OD2 ASP A 37 -14.607 -3.583 -4.886 1.00 0.86 O ATOM 0 H ASP A 37 -12.277 0.392 -5.589 1.00 0.49 H new ATOM 0 HA ASP A 37 -15.055 0.120 -4.763 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -14.165 -1.038 -6.767 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.976 -1.865 -5.780 1.00 0.62 H new ATOM 553 N ILE A 38 -12.592 -0.807 -2.876 1.00 0.47 N ATOM 554 CA ILE A 38 -12.249 -1.342 -1.561 1.00 0.51 C ATOM 555 C ILE A 38 -12.274 -0.264 -0.475 1.00 0.53 C ATOM 556 O ILE A 38 -11.733 -0.442 0.620 1.00 0.59 O ATOM 557 CB ILE A 38 -10.893 -2.103 -1.550 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.739 -1.187 -2.001 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.984 -3.343 -2.433 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.372 -1.843 -1.999 1.00 0.47 C ATOM 0 H ILE A 38 -11.810 -0.396 -3.386 1.00 0.47 H new ATOM 0 HA ILE A 38 -13.027 -2.070 -1.331 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.681 -2.418 -0.528 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.952 -0.825 -3.007 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.709 -0.315 -1.348 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -10.030 -3.870 -2.420 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.767 -4.001 -2.057 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -11.220 -3.046 -3.455 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.623 -1.124 -2.330 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -8.131 -2.179 -0.991 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -8.378 -2.698 -2.675 1.00 0.47 H new ATOM 572 N GLY A 39 -12.961 0.825 -0.771 1.00 0.54 N ATOM 573 CA GLY A 39 -13.158 1.891 0.194 1.00 0.61 C ATOM 574 C GLY A 39 -11.917 2.718 0.464 1.00 0.55 C ATOM 575 O GLY A 39 -11.795 3.335 1.515 1.00 0.69 O ATOM 0 H GLY A 39 -13.394 0.994 -1.679 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.949 2.549 -0.164 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.504 1.458 1.132 1.00 0.61 H new ATOM 579 N TYR A 40 -10.998 2.732 -0.458 1.00 0.45 N ATOM 580 CA TYR A 40 -9.811 3.529 -0.306 1.00 0.48 C ATOM 581 C TYR A 40 -9.916 4.803 -1.104 1.00 0.56 C ATOM 582 O TYR A 40 -9.860 4.796 -2.337 1.00 0.64 O ATOM 583 CB TYR A 40 -8.543 2.744 -0.635 1.00 0.43 C ATOM 584 CG TYR A 40 -7.989 1.955 0.532 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.658 0.835 0.982 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.799 2.302 1.162 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.173 0.075 2.017 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.305 1.544 2.211 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.943 0.589 2.712 1.00 1.11 C ATOM 590 OH TYR A 40 -6.520 -0.358 3.650 1.00 1.40 O ATOM 0 H TYR A 40 -11.046 2.199 -1.326 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.731 3.805 0.746 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.754 2.059 -1.456 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.779 3.438 -0.987 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.586 0.550 0.508 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.253 3.173 0.830 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -8.651 -0.846 2.317 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.332 1.786 2.613 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.812 -1.250 3.369 1.00 1.40 H new ATOM 600 N ASP A 41 -10.118 5.884 -0.393 1.00 0.74 N ATOM 601 CA ASP A 41 -10.272 7.203 -0.991 1.00 0.95 C ATOM 602 C ASP A 41 -8.925 7.743 -1.365 1.00 1.01 C ATOM 603 O ASP A 41 -8.634 7.976 -2.544 1.00 1.89 O ATOM 604 CB ASP A 41 -10.881 8.194 0.011 1.00 1.15 C ATOM 605 CG ASP A 41 -12.114 7.700 0.692 1.00 1.57 C ATOM 606 OD1 ASP A 41 -11.982 7.013 1.722 1.00 2.16 O ATOM 607 OD2 ASP A 41 -13.230 7.992 0.222 1.00 2.07 O ATOM 0 H ASP A 41 -10.182 5.882 0.625 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.921 7.096 -1.860 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.133 8.433 0.767 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -11.115 9.122 -0.510 1.00 1.15 H new ATOM 612 N SER A 42 -8.076 7.860 -0.351 1.00 0.71 N ATOM 613 CA SER A 42 -6.783 8.515 -0.468 1.00 0.66 C ATOM 614 C SER A 42 -6.118 8.572 0.901 1.00 0.49 C ATOM 615 O SER A 42 -4.954 8.235 1.045 1.00 0.45 O ATOM 616 CB SER A 42 -7.012 9.942 -0.944 1.00 0.86 C ATOM 617 OG SER A 42 -8.059 10.521 -0.098 1.00 1.19 O ATOM 0 H SER A 42 -8.269 7.499 0.583 1.00 0.71 H new ATOM 0 HA SER A 42 -6.151 7.965 -1.166 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.093 10.524 -0.870 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.314 9.954 -1.991 1.00 0.86 H new ATOM 622 N LEU A 43 -6.898 8.939 1.907 1.00 0.49 N ATOM 623 CA LEU A 43 -6.406 9.097 3.275 1.00 0.49 C ATOM 624 C LEU A 43 -5.872 7.780 3.818 1.00 0.42 C ATOM 625 O LEU A 43 -4.697 7.684 4.181 1.00 0.41 O ATOM 626 CB LEU A 43 -7.526 9.629 4.178 1.00 0.65 C ATOM 627 CG LEU A 43 -8.138 10.971 3.766 1.00 0.79 C ATOM 628 CD1 LEU A 43 -9.267 11.358 4.702 1.00 1.12 C ATOM 629 CD2 LEU A 43 -7.077 12.050 3.752 1.00 1.03 C ATOM 0 H LEU A 43 -7.893 9.137 1.801 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.586 9.815 3.263 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.322 8.885 4.214 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -7.134 9.726 5.191 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.546 10.866 2.761 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -9.687 12.314 4.390 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -10.043 10.594 4.671 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.883 11.444 5.719 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.526 12.998 3.457 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -6.644 12.147 4.748 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.295 11.782 3.041 1.00 1.03 H new ATOM 641 N ALA A 44 -6.711 6.759 3.818 1.00 0.40 N ATOM 642 CA ALA A 44 -6.306 5.432 4.276 1.00 0.38 C ATOM 643 C ALA A 44 -5.218 4.858 3.361 1.00 0.32 C ATOM 644 O ALA A 44 -4.373 4.071 3.787 1.00 0.33 O ATOM 645 CB ALA A 44 -7.508 4.498 4.335 1.00 0.43 C ATOM 0 H ALA A 44 -7.680 6.819 3.506 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.895 5.523 5.281 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.188 3.514 4.678 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.248 4.900 5.027 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.950 4.410 3.342 1.00 0.43 H new ATOM 651 N LEU A 45 -5.245 5.283 2.107 1.00 0.30 N ATOM 652 CA LEU A 45 -4.290 4.838 1.105 1.00 0.28 C ATOM 653 C LEU A 45 -2.891 5.378 1.468 1.00 0.28 C ATOM 654 O LEU A 45 -1.905 4.642 1.450 1.00 0.29 O ATOM 655 CB LEU A 45 -4.770 5.309 -0.293 1.00 0.30 C ATOM 656 CG LEU A 45 -4.151 4.659 -1.549 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.899 5.129 -2.779 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.678 4.991 -1.703 1.00 0.37 C ATOM 0 H LEU A 45 -5.933 5.949 1.755 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.223 3.750 1.079 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.848 5.157 -0.340 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.596 6.383 -0.357 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.237 3.578 -1.435 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.463 4.671 -3.667 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.947 4.841 -2.699 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.826 6.214 -2.857 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.289 4.511 -2.601 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.555 6.071 -1.787 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.131 4.630 -0.832 1.00 0.37 H new ATOM 670 N MET A 46 -2.824 6.653 1.828 1.00 0.30 N ATOM 671 CA MET A 46 -1.567 7.272 2.254 1.00 0.34 C ATOM 672 C MET A 46 -1.084 6.636 3.526 1.00 0.34 C ATOM 673 O MET A 46 0.085 6.366 3.679 1.00 0.40 O ATOM 674 CB MET A 46 -1.716 8.778 2.465 1.00 0.39 C ATOM 675 CG MET A 46 -2.023 9.542 1.203 1.00 0.45 C ATOM 676 SD MET A 46 -2.156 11.323 1.462 1.00 0.68 S ATOM 677 CE MET A 46 -3.545 11.406 2.593 1.00 1.44 C ATOM 0 H MET A 46 -3.626 7.284 1.835 1.00 0.30 H new ATOM 0 HA MET A 46 -0.840 7.112 1.458 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.511 8.957 3.189 1.00 0.39 H new ATOM 0 HB3 MET A 46 -0.795 9.167 2.899 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.242 9.346 0.469 1.00 0.45 H new ATOM 0 HG3 MET A 46 -2.957 9.172 0.781 1.00 0.45 H new ATOM 0 HE1 MET A 46 -3.725 12.444 2.873 1.00 1.44 H new ATOM 0 HE2 MET A 46 -4.434 11.002 2.108 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.322 10.823 3.486 1.00 1.44 H new ATOM 687 N GLU A 47 -2.018 6.359 4.418 1.00 0.32 N ATOM 688 CA GLU A 47 -1.726 5.726 5.697 1.00 0.37 C ATOM 689 C GLU A 47 -1.085 4.343 5.469 1.00 0.32 C ATOM 690 O GLU A 47 -0.222 3.901 6.235 1.00 0.33 O ATOM 691 CB GLU A 47 -3.021 5.613 6.491 1.00 0.45 C ATOM 692 CG GLU A 47 -2.854 5.159 7.939 1.00 0.85 C ATOM 693 CD GLU A 47 -1.929 6.057 8.731 1.00 1.22 C ATOM 694 OE1 GLU A 47 -2.234 7.258 8.890 1.00 1.82 O ATOM 695 OE2 GLU A 47 -0.891 5.574 9.235 1.00 1.89 O ATOM 0 H GLU A 47 -3.007 6.567 4.277 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.015 6.328 6.263 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.518 6.583 6.485 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.682 4.913 5.981 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.831 5.134 8.422 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.465 4.141 7.953 1.00 0.85 H new ATOM 702 N THR A 48 -1.509 3.690 4.404 1.00 0.31 N ATOM 703 CA THR A 48 -0.953 2.422 3.978 1.00 0.30 C ATOM 704 C THR A 48 0.537 2.604 3.633 1.00 0.29 C ATOM 705 O THR A 48 1.415 1.972 4.243 1.00 0.32 O ATOM 706 CB THR A 48 -1.719 1.933 2.729 1.00 0.33 C ATOM 707 OG1 THR A 48 -3.094 1.688 3.061 1.00 0.40 O ATOM 708 CG2 THR A 48 -1.084 0.686 2.125 1.00 0.33 C ATOM 0 H THR A 48 -2.259 4.031 3.803 1.00 0.31 H new ATOM 0 HA THR A 48 -1.048 1.688 4.778 1.00 0.30 H new ATOM 0 HB THR A 48 -1.666 2.719 1.976 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.525 2.531 3.314 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.654 0.376 1.249 1.00 0.33 H new ATOM 0 HG22 THR A 48 -0.058 0.906 1.831 1.00 0.33 H new ATOM 0 HG23 THR A 48 -1.086 -0.117 2.862 1.00 0.33 H new ATOM 716 N ALA A 49 0.804 3.469 2.661 1.00 0.29 N ATOM 717 CA ALA A 49 2.156 3.741 2.202 1.00 0.30 C ATOM 718 C ALA A 49 3.038 4.243 3.344 1.00 0.27 C ATOM 719 O ALA A 49 4.151 3.753 3.531 1.00 0.27 O ATOM 720 CB ALA A 49 2.130 4.735 1.058 1.00 0.36 C ATOM 0 H ALA A 49 0.086 4.001 2.170 1.00 0.29 H new ATOM 0 HA ALA A 49 2.589 2.808 1.841 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.149 4.931 0.723 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.549 4.324 0.232 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.674 5.666 1.395 1.00 0.36 H new ATOM 726 N ALA A 50 2.504 5.175 4.131 1.00 0.29 N ATOM 727 CA ALA A 50 3.198 5.786 5.267 1.00 0.31 C ATOM 728 C ALA A 50 3.681 4.756 6.276 1.00 0.30 C ATOM 729 O ALA A 50 4.748 4.923 6.889 1.00 0.32 O ATOM 730 CB ALA A 50 2.298 6.797 5.950 1.00 0.39 C ATOM 0 H ALA A 50 1.559 5.535 3.996 1.00 0.29 H new ATOM 0 HA ALA A 50 4.079 6.289 4.869 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.826 7.244 6.793 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.022 7.577 5.240 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.398 6.298 6.309 1.00 0.39 H new ATOM 736 N ARG A 51 2.915 3.692 6.441 1.00 0.32 N ATOM 737 CA ARG A 51 3.267 2.625 7.359 1.00 0.37 C ATOM 738 C ARG A 51 4.547 1.971 6.883 1.00 0.32 C ATOM 739 O ARG A 51 5.517 1.812 7.635 1.00 0.36 O ATOM 740 CB ARG A 51 2.174 1.572 7.376 1.00 0.51 C ATOM 741 CG ARG A 51 2.336 0.550 8.470 1.00 1.04 C ATOM 742 CD ARG A 51 1.291 -0.533 8.371 1.00 1.15 C ATOM 743 NE ARG A 51 1.154 -1.226 9.638 1.00 1.91 N ATOM 744 CZ ARG A 51 0.702 -2.456 9.815 1.00 2.60 C ATOM 745 NH1 ARG A 51 0.566 -3.295 8.786 1.00 2.86 N ATOM 746 NH2 ARG A 51 0.456 -2.880 11.047 1.00 3.47 N ATOM 0 H ARG A 51 2.036 3.544 5.945 1.00 0.32 H new ATOM 0 HA ARG A 51 3.392 3.042 8.358 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.209 2.065 7.491 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.158 1.061 6.413 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.329 0.106 8.410 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.264 1.040 9.441 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.334 -0.098 8.083 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.567 -1.242 7.590 1.00 1.15 H new ATOM 0 HE ARG A 51 1.434 -0.714 10.475 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.812 -2.991 7.844 1.00 2.86 H new ATOM 0 HH12 ARG A 51 0.216 -4.240 8.942 1.00 2.86 H new ATOM 0 HH21 ARG A 51 0.616 -2.260 11.841 1.00 3.47 H new ATOM 0 HH22 ARG A 51 0.107 -3.826 11.201 1.00 3.47 H new ATOM 760 N LEU A 52 4.547 1.627 5.616 1.00 0.27 N ATOM 761 CA LEU A 52 5.667 0.983 4.994 1.00 0.25 C ATOM 762 C LEU A 52 6.859 1.931 4.936 1.00 0.21 C ATOM 763 O LEU A 52 8.007 1.502 5.056 1.00 0.23 O ATOM 764 CB LEU A 52 5.276 0.453 3.611 1.00 0.29 C ATOM 765 CG LEU A 52 4.089 -0.532 3.606 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.769 -0.995 2.202 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.373 -1.728 4.506 1.00 0.44 C ATOM 0 H LEU A 52 3.760 1.790 4.988 1.00 0.27 H new ATOM 0 HA LEU A 52 5.968 0.124 5.594 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.030 1.299 2.970 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.141 -0.041 3.169 1.00 0.29 H new ATOM 0 HG LEU A 52 3.219 -0.003 3.996 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.928 -1.688 2.230 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.509 -0.134 1.585 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.639 -1.496 1.777 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.522 -2.409 4.486 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.262 -2.248 4.150 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.539 -1.384 5.527 1.00 0.44 H new ATOM 779 N GLU A 53 6.579 3.221 4.761 1.00 0.19 N ATOM 780 CA GLU A 53 7.611 4.247 4.793 1.00 0.19 C ATOM 781 C GLU A 53 8.324 4.250 6.111 1.00 0.23 C ATOM 782 O GLU A 53 9.541 4.160 6.154 1.00 0.26 O ATOM 783 CB GLU A 53 7.061 5.632 4.534 1.00 0.22 C ATOM 784 CG GLU A 53 6.462 5.836 3.176 1.00 0.25 C ATOM 785 CD GLU A 53 6.076 7.253 2.974 1.00 0.33 C ATOM 786 OE1 GLU A 53 4.981 7.633 3.377 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.842 8.007 2.369 1.00 0.38 O ATOM 0 H GLU A 53 5.638 3.579 4.595 1.00 0.19 H new ATOM 0 HA GLU A 53 8.307 3.999 3.992 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.302 5.851 5.285 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.864 6.356 4.672 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.178 5.537 2.410 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.587 5.197 3.061 1.00 0.25 H new ATOM 794 N SER A 54 7.565 4.337 7.171 1.00 0.31 N ATOM 795 CA SER A 54 8.106 4.386 8.500 1.00 0.40 C ATOM 796 C SER A 54 8.862 3.077 8.812 1.00 0.36 C ATOM 797 O SER A 54 10.013 3.105 9.249 1.00 0.39 O ATOM 798 CB SER A 54 6.968 4.640 9.509 1.00 0.53 C ATOM 799 OG SER A 54 7.466 4.981 10.789 1.00 1.17 O ATOM 0 H SER A 54 6.546 4.376 7.134 1.00 0.31 H new ATOM 0 HA SER A 54 8.820 5.206 8.579 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.329 5.443 9.142 1.00 0.53 H new ATOM 0 HB3 SER A 54 6.346 3.748 9.587 1.00 0.53 H new ATOM 0 HG SER A 54 6.716 5.136 11.401 1.00 1.17 H new ATOM 805 N ARG A 55 8.228 1.948 8.524 1.00 0.35 N ATOM 806 CA ARG A 55 8.794 0.638 8.825 1.00 0.37 C ATOM 807 C ARG A 55 10.057 0.303 7.993 1.00 0.31 C ATOM 808 O ARG A 55 11.052 -0.153 8.539 1.00 0.36 O ATOM 809 CB ARG A 55 7.730 -0.461 8.664 1.00 0.48 C ATOM 810 CG ARG A 55 8.169 -1.829 9.166 1.00 0.61 C ATOM 811 CD ARG A 55 7.085 -2.876 8.969 1.00 0.85 C ATOM 812 NE ARG A 55 7.466 -4.163 9.558 1.00 1.35 N ATOM 813 CZ ARG A 55 7.044 -5.359 9.158 1.00 2.03 C ATOM 814 NH1 ARG A 55 6.208 -5.465 8.146 1.00 2.37 N ATOM 815 NH2 ARG A 55 7.446 -6.445 9.792 1.00 2.81 N ATOM 0 H ARG A 55 7.312 1.913 8.077 1.00 0.35 H new ATOM 0 HA ARG A 55 9.118 0.678 9.865 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.829 -0.161 9.200 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.462 -0.541 7.610 1.00 0.48 H new ATOM 0 HG2 ARG A 55 9.072 -2.137 8.639 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.424 -1.764 10.224 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.156 -2.529 9.421 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.892 -3.005 7.904 1.00 0.85 H new ATOM 0 HE ARG A 55 8.113 -4.139 10.346 1.00 1.35 H new ATOM 0 HH11 ARG A 55 5.881 -4.627 7.665 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.888 -6.385 7.843 1.00 2.37 H new ATOM 0 HH21 ARG A 55 8.079 -6.366 10.588 1.00 2.81 H new ATOM 0 HH22 ARG A 55 7.123 -7.363 9.486 1.00 2.81 H new ATOM 829 N TYR A 56 10.013 0.528 6.687 1.00 0.28 N ATOM 830 CA TYR A 56 11.119 0.109 5.812 1.00 0.31 C ATOM 831 C TYR A 56 12.061 1.229 5.415 1.00 0.33 C ATOM 832 O TYR A 56 13.219 0.978 5.086 1.00 0.43 O ATOM 833 CB TYR A 56 10.583 -0.590 4.565 1.00 0.34 C ATOM 834 CG TYR A 56 9.872 -1.874 4.882 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.583 -2.990 5.292 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.493 -1.969 4.792 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.945 -4.166 5.599 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.842 -3.142 5.099 1.00 0.57 C ATOM 839 CZ TYR A 56 8.578 -4.242 5.501 1.00 0.66 C ATOM 840 OH TYR A 56 7.947 -5.418 5.806 1.00 0.80 O ATOM 0 H TYR A 56 9.240 0.990 6.208 1.00 0.28 H new ATOM 0 HA TYR A 56 11.711 -0.586 6.407 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.900 0.080 4.043 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.410 -0.795 3.885 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.659 -2.934 5.372 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.920 -1.110 4.476 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.515 -5.027 5.916 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.766 -3.203 5.027 1.00 0.57 H new ATOM 0 HH TYR A 56 6.980 -5.310 5.688 1.00 0.80 H new ATOM 850 N GLY A 57 11.597 2.443 5.464 1.00 0.31 N ATOM 851 CA GLY A 57 12.431 3.545 5.055 1.00 0.38 C ATOM 852 C GLY A 57 12.228 3.890 3.595 1.00 0.38 C ATOM 853 O GLY A 57 13.189 3.967 2.823 1.00 0.53 O ATOM 0 H GLY A 57 10.660 2.698 5.777 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.208 4.417 5.669 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.477 3.293 5.227 1.00 0.38 H new ATOM 857 N VAL A 58 10.973 4.049 3.206 1.00 0.37 N ATOM 858 CA VAL A 58 10.639 4.449 1.846 1.00 0.37 C ATOM 859 C VAL A 58 10.098 5.864 1.806 1.00 0.34 C ATOM 860 O VAL A 58 9.910 6.485 2.861 1.00 0.33 O ATOM 861 CB VAL A 58 9.700 3.467 1.078 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.365 2.157 0.891 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.395 3.254 1.788 1.00 0.33 C ATOM 0 H VAL A 58 10.166 3.907 3.814 1.00 0.37 H new ATOM 0 HA VAL A 58 11.586 4.410 1.307 1.00 0.37 H new ATOM 0 HB VAL A 58 9.491 3.925 0.111 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.697 1.483 0.354 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.282 2.293 0.317 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.606 1.729 1.864 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.777 2.563 1.214 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.583 2.837 2.777 1.00 0.33 H new ATOM 0 HG23 VAL A 58 7.876 4.207 1.889 1.00 0.33 H new ATOM 873 N SER A 59 9.830 6.360 0.617 1.00 0.37 N ATOM 874 CA SER A 59 9.357 7.706 0.437 1.00 0.41 C ATOM 875 C SER A 59 8.274 7.733 -0.654 1.00 0.38 C ATOM 876 O SER A 59 8.565 7.536 -1.841 1.00 0.47 O ATOM 877 CB SER A 59 10.543 8.601 0.035 1.00 0.56 C ATOM 878 OG SER A 59 11.624 8.480 0.968 1.00 1.54 O ATOM 0 H SER A 59 9.936 5.835 -0.251 1.00 0.37 H new ATOM 0 HA SER A 59 8.923 8.076 1.366 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.887 8.326 -0.962 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.217 9.640 -0.015 1.00 0.56 H new ATOM 0 HG SER A 59 12.364 9.058 0.688 1.00 1.54 H new ATOM 884 N ILE A 60 7.036 7.868 -0.231 1.00 0.31 N ATOM 885 CA ILE A 60 5.890 7.952 -1.125 1.00 0.31 C ATOM 886 C ILE A 60 5.282 9.347 -1.021 1.00 0.34 C ATOM 887 O ILE A 60 4.768 9.736 0.033 1.00 0.40 O ATOM 888 CB ILE A 60 4.768 6.853 -0.845 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.192 5.426 -1.280 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.452 7.211 -1.541 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.391 4.859 -0.576 1.00 0.59 C ATOM 0 H ILE A 60 6.788 7.924 0.757 1.00 0.31 H new ATOM 0 HA ILE A 60 6.259 7.755 -2.131 1.00 0.31 H new ATOM 0 HB ILE A 60 4.629 6.850 0.236 1.00 0.33 H new ATOM 0 HG12 ILE A 60 4.349 4.753 -1.122 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.395 5.438 -2.351 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.708 6.442 -1.331 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.095 8.172 -1.172 1.00 0.35 H new ATOM 0 HG23 ILE A 60 3.615 7.273 -2.617 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.598 3.859 -0.958 1.00 0.59 H new ATOM 0 HD12 ILE A 60 7.254 5.501 -0.753 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.193 4.805 0.494 1.00 0.59 H new ATOM 903 N PRO A 61 5.379 10.137 -2.090 1.00 0.37 N ATOM 904 CA PRO A 61 4.793 11.465 -2.139 1.00 0.45 C ATOM 905 C PRO A 61 3.261 11.397 -2.077 1.00 0.41 C ATOM 906 O PRO A 61 2.632 10.524 -2.705 1.00 0.35 O ATOM 907 CB PRO A 61 5.269 12.029 -3.487 1.00 0.54 C ATOM 908 CG PRO A 61 6.404 11.156 -3.886 1.00 0.56 C ATOM 909 CD PRO A 61 6.084 9.808 -3.329 1.00 0.43 C ATOM 0 HA PRO A 61 5.092 12.087 -1.295 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.471 12.005 -4.230 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.584 13.068 -3.392 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.508 11.118 -4.970 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.347 11.531 -3.488 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.461 9.226 -4.008 1.00 0.43 H new ATOM 0 HD3 PRO A 61 6.984 9.223 -3.141 1.00 0.43 H new ATOM 917 N ASP A 62 2.685 12.339 -1.353 1.00 0.51 N ATOM 918 CA ASP A 62 1.234 12.410 -1.062 1.00 0.55 C ATOM 919 C ASP A 62 0.402 12.366 -2.327 1.00 0.45 C ATOM 920 O ASP A 62 -0.591 11.644 -2.416 1.00 0.46 O ATOM 921 CB ASP A 62 0.892 13.716 -0.328 1.00 0.77 C ATOM 922 CG ASP A 62 1.664 13.933 0.944 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.242 13.403 2.006 1.00 1.99 O ATOM 924 OD2 ASP A 62 2.711 14.585 0.918 1.00 1.64 O ATOM 0 H ASP A 62 3.213 13.104 -0.932 1.00 0.51 H new ATOM 0 HA ASP A 62 1.002 11.544 -0.442 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.077 14.555 -0.999 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.173 13.721 -0.098 1.00 0.77 H new ATOM 929 N ASP A 63 0.852 13.093 -3.326 1.00 0.44 N ATOM 930 CA ASP A 63 0.106 13.246 -4.569 1.00 0.45 C ATOM 931 C ASP A 63 0.155 11.977 -5.390 1.00 0.40 C ATOM 932 O ASP A 63 -0.767 11.680 -6.131 1.00 0.48 O ATOM 933 CB ASP A 63 0.629 14.441 -5.385 1.00 0.58 C ATOM 934 CG ASP A 63 0.412 15.776 -4.696 1.00 1.37 C ATOM 935 OD1 ASP A 63 1.171 16.111 -3.775 1.00 2.18 O ATOM 936 OD2 ASP A 63 -0.533 16.527 -5.068 1.00 1.66 O ATOM 0 H ASP A 63 1.740 13.595 -3.306 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.934 13.443 -4.310 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.694 14.306 -5.574 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.133 14.455 -6.355 1.00 0.58 H new ATOM 941 N VAL A 64 1.203 11.201 -5.204 1.00 0.34 N ATOM 942 CA VAL A 64 1.360 9.941 -5.912 1.00 0.37 C ATOM 943 C VAL A 64 0.421 8.928 -5.302 1.00 0.36 C ATOM 944 O VAL A 64 -0.225 8.163 -6.014 1.00 0.43 O ATOM 945 CB VAL A 64 2.815 9.425 -5.834 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.971 8.132 -6.618 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.780 10.468 -6.363 1.00 0.50 C ATOM 0 H VAL A 64 1.966 11.421 -4.564 1.00 0.34 H new ATOM 0 HA VAL A 64 1.124 10.095 -6.965 1.00 0.37 H new ATOM 0 HB VAL A 64 3.046 9.229 -4.787 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.003 7.787 -6.549 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.306 7.373 -6.205 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.716 8.307 -7.663 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.799 10.086 -6.300 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.540 10.692 -7.402 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.696 11.377 -5.768 1.00 0.50 H new ATOM 957 N ALA A 65 0.323 8.950 -3.987 1.00 0.35 N ATOM 958 CA ALA A 65 -0.589 8.082 -3.264 1.00 0.39 C ATOM 959 C ALA A 65 -2.037 8.317 -3.720 1.00 0.41 C ATOM 960 O ALA A 65 -2.822 7.404 -3.796 1.00 0.45 O ATOM 961 CB ALA A 65 -0.446 8.294 -1.774 1.00 0.44 C ATOM 0 H ALA A 65 0.872 9.568 -3.390 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.333 7.046 -3.486 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.136 7.637 -1.245 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.576 8.067 -1.471 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.675 9.332 -1.530 1.00 0.44 H new ATOM 967 N GLY A 66 -2.358 9.549 -4.056 1.00 0.47 N ATOM 968 CA GLY A 66 -3.690 9.854 -4.549 1.00 0.55 C ATOM 969 C GLY A 66 -3.878 9.487 -6.025 1.00 0.58 C ATOM 970 O GLY A 66 -4.989 9.554 -6.552 1.00 0.81 O ATOM 0 H GLY A 66 -1.726 10.348 -3.999 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.425 9.317 -3.950 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.886 10.918 -4.417 1.00 0.55 H new ATOM 974 N ARG A 67 -2.800 9.106 -6.689 1.00 0.54 N ATOM 975 CA ARG A 67 -2.832 8.769 -8.112 1.00 0.61 C ATOM 976 C ARG A 67 -2.770 7.258 -8.366 1.00 0.52 C ATOM 977 O ARG A 67 -3.061 6.795 -9.478 1.00 0.59 O ATOM 978 CB ARG A 67 -1.702 9.472 -8.848 1.00 0.75 C ATOM 979 CG ARG A 67 -1.881 10.977 -8.979 1.00 1.32 C ATOM 980 CD ARG A 67 -0.628 11.622 -9.533 1.00 1.55 C ATOM 981 NE ARG A 67 -0.212 11.009 -10.799 1.00 1.97 N ATOM 982 CZ ARG A 67 0.997 10.484 -11.021 1.00 2.53 C ATOM 983 NH1 ARG A 67 1.964 10.641 -10.114 1.00 2.73 N ATOM 984 NH2 ARG A 67 1.252 9.854 -12.157 1.00 3.33 N ATOM 0 H ARG A 67 -1.877 9.020 -6.263 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.791 9.117 -8.497 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -0.766 9.273 -8.327 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -1.610 9.041 -9.845 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -2.726 11.192 -9.634 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.116 11.406 -8.005 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -0.805 12.687 -9.686 1.00 1.55 H new ATOM 0 HD3 ARG A 67 0.178 11.534 -8.805 1.00 1.55 H new ATOM 0 HE ARG A 67 -0.890 10.982 -11.560 1.00 1.97 H new ATOM 0 HH11 ARG A 67 1.779 11.160 -9.256 1.00 2.73 H new ATOM 0 HH12 ARG A 67 2.888 10.242 -10.279 1.00 2.73 H new ATOM 0 HH21 ARG A 67 0.525 9.768 -12.867 1.00 3.33 H new ATOM 0 HH22 ARG A 67 2.176 9.455 -12.323 1.00 3.33 H new ATOM 998 N VAL A 68 -2.363 6.500 -7.380 1.00 0.43 N ATOM 999 CA VAL A 68 -2.312 5.051 -7.524 1.00 0.39 C ATOM 1000 C VAL A 68 -3.696 4.430 -7.350 1.00 0.35 C ATOM 1001 O VAL A 68 -4.360 4.604 -6.329 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.244 4.380 -6.614 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.142 4.642 -7.175 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.312 4.906 -5.196 1.00 0.36 C ATOM 0 H VAL A 68 -2.062 6.850 -6.471 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.986 4.851 -8.545 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.448 3.309 -6.594 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.888 4.171 -6.536 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.212 4.227 -8.181 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.322 5.716 -7.212 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.552 4.415 -4.589 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.136 5.982 -5.198 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.298 4.701 -4.779 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.135 3.778 -8.389 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.464 3.184 -8.471 1.00 0.41 C ATOM 1016 C ASP A 69 -5.431 1.722 -8.046 1.00 0.28 C ATOM 1017 O ASP A 69 -6.441 1.154 -7.613 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.960 3.310 -9.915 1.00 0.62 C ATOM 1019 CG ASP A 69 -7.348 2.769 -10.151 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -8.329 3.421 -9.755 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -7.482 1.646 -10.675 1.00 2.11 O ATOM 0 H ASP A 69 -3.575 3.634 -9.229 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.141 3.707 -7.796 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.940 4.361 -10.202 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -5.264 2.788 -10.571 1.00 0.62 H new ATOM 1026 N THR A 70 -4.254 1.142 -8.118 1.00 0.30 N ATOM 1027 CA THR A 70 -4.057 -0.260 -7.843 1.00 0.27 C ATOM 1028 C THR A 70 -2.917 -0.497 -6.822 1.00 0.24 C ATOM 1029 O THR A 70 -1.866 0.166 -6.873 1.00 0.25 O ATOM 1030 CB THR A 70 -3.742 -0.977 -9.161 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.830 -0.159 -9.920 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.006 -1.214 -9.971 1.00 0.36 C ATOM 0 H THR A 70 -3.399 1.637 -8.372 1.00 0.30 H new ATOM 0 HA THR A 70 -4.970 -0.658 -7.400 1.00 0.27 H new ATOM 0 HB THR A 70 -3.296 -1.947 -8.941 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.137 -0.725 -10.319 1.00 0.44 H new ATOM 0 HG21 THR A 70 -4.752 -1.724 -10.900 1.00 0.36 H new ATOM 0 HG22 THR A 70 -5.697 -1.831 -9.396 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.477 -0.258 -10.199 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.124 -1.443 -5.870 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.149 -1.774 -4.823 1.00 0.22 C ATOM 1042 C PRO A 71 -0.811 -2.232 -5.379 1.00 0.22 C ATOM 1043 O PRO A 71 0.223 -1.912 -4.820 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.815 -2.910 -4.043 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.261 -2.760 -4.331 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.347 -2.239 -5.727 1.00 0.23 C ATOM 0 HA PRO A 71 -1.915 -0.900 -4.215 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.445 -3.883 -4.366 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.613 -2.830 -2.975 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.779 -3.714 -4.237 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.730 -2.072 -3.628 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.387 -3.048 -6.456 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.241 -1.632 -5.875 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.842 -3.010 -6.457 1.00 0.24 N ATOM 1055 CA ARG A 72 0.379 -3.467 -7.139 1.00 0.28 C ATOM 1056 C ARG A 72 1.281 -2.270 -7.473 1.00 0.27 C ATOM 1057 O ARG A 72 2.471 -2.265 -7.172 1.00 0.32 O ATOM 1058 CB ARG A 72 0.007 -4.210 -8.416 1.00 0.40 C ATOM 1059 CG ARG A 72 1.176 -4.711 -9.250 1.00 0.70 C ATOM 1060 CD ARG A 72 0.657 -5.335 -10.530 1.00 0.74 C ATOM 1061 NE ARG A 72 -0.212 -4.396 -11.242 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.332 -4.705 -11.908 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -1.681 -5.983 -12.112 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -2.090 -3.723 -12.369 1.00 2.72 N ATOM 0 H ARG A 72 -1.705 -3.343 -6.886 1.00 0.24 H new ATOM 0 HA ARG A 72 0.923 -4.141 -6.477 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.618 -5.063 -8.150 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.601 -3.550 -9.035 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.850 -3.886 -9.483 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.752 -5.443 -8.684 1.00 0.70 H new ATOM 0 HD2 ARG A 72 1.494 -5.621 -11.168 1.00 0.74 H new ATOM 0 HD3 ARG A 72 0.106 -6.247 -10.300 1.00 0.74 H new ATOM 0 HE ARG A 72 0.062 -3.413 -11.230 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.091 -6.736 -11.758 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -2.537 -6.203 -12.621 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.817 -2.752 -12.214 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.947 -3.937 -12.879 1.00 2.72 H new ATOM 1078 N GLU A 73 0.676 -1.251 -8.065 1.00 0.24 N ATOM 1079 CA GLU A 73 1.371 -0.031 -8.439 1.00 0.26 C ATOM 1080 C GLU A 73 1.846 0.761 -7.205 1.00 0.25 C ATOM 1081 O GLU A 73 2.848 1.473 -7.261 1.00 0.32 O ATOM 1082 CB GLU A 73 0.523 0.824 -9.400 1.00 0.33 C ATOM 1083 CG GLU A 73 0.537 0.362 -10.881 1.00 0.50 C ATOM 1084 CD GLU A 73 0.115 -1.083 -11.120 1.00 1.41 C ATOM 1085 OE1 GLU A 73 0.971 -1.977 -11.091 1.00 1.82 O ATOM 1086 OE2 GLU A 73 -1.079 -1.348 -11.356 1.00 2.21 O ATOM 0 H GLU A 73 -0.317 -1.249 -8.300 1.00 0.24 H new ATOM 0 HA GLU A 73 2.272 -0.317 -8.982 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.508 0.825 -9.046 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.877 1.854 -9.354 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.122 1.014 -11.453 1.00 0.50 H new ATOM 0 HG3 GLU A 73 1.543 0.499 -11.277 1.00 0.50 H new ATOM 1093 N LEU A 74 1.131 0.618 -6.100 1.00 0.23 N ATOM 1094 CA LEU A 74 1.526 1.235 -4.829 1.00 0.26 C ATOM 1095 C LEU A 74 2.761 0.479 -4.312 1.00 0.25 C ATOM 1096 O LEU A 74 3.745 1.084 -3.899 1.00 0.28 O ATOM 1097 CB LEU A 74 0.341 1.159 -3.812 1.00 0.28 C ATOM 1098 CG LEU A 74 0.414 1.997 -2.497 1.00 0.31 C ATOM 1099 CD1 LEU A 74 -0.887 1.872 -1.739 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.553 1.568 -1.583 1.00 1.11 C ATOM 0 H LEU A 74 0.267 0.078 -6.051 1.00 0.23 H new ATOM 0 HA LEU A 74 1.772 2.289 -4.961 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.565 1.455 -4.341 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.217 0.114 -3.529 1.00 0.28 H new ATOM 0 HG LEU A 74 0.597 3.030 -2.795 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -0.832 2.458 -0.822 1.00 1.01 H new ATOM 0 HD12 LEU A 74 -1.705 2.242 -2.357 1.00 1.01 H new ATOM 0 HD13 LEU A 74 -1.064 0.826 -1.490 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.552 2.187 -0.686 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.421 0.523 -1.303 1.00 1.11 H new ATOM 0 HD23 LEU A 74 2.503 1.687 -2.105 1.00 1.11 H new ATOM 1112 N LEU A 75 2.687 -0.844 -4.357 1.00 0.24 N ATOM 1113 CA LEU A 75 3.780 -1.726 -3.951 1.00 0.28 C ATOM 1114 C LEU A 75 5.034 -1.415 -4.769 1.00 0.28 C ATOM 1115 O LEU A 75 6.159 -1.442 -4.257 1.00 0.30 O ATOM 1116 CB LEU A 75 3.367 -3.192 -4.141 1.00 0.32 C ATOM 1117 CG LEU A 75 4.355 -4.248 -3.648 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.554 -4.129 -2.146 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.875 -5.641 -4.015 1.00 0.48 C ATOM 0 H LEU A 75 1.858 -1.344 -4.680 1.00 0.24 H new ATOM 0 HA LEU A 75 4.001 -1.559 -2.897 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.417 -3.348 -3.629 1.00 0.32 H new ATOM 0 HB3 LEU A 75 3.188 -3.361 -5.203 1.00 0.32 H new ATOM 0 HG LEU A 75 5.314 -4.077 -4.137 1.00 0.39 H new ATOM 0 HD11 LEU A 75 5.261 -4.888 -1.811 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.945 -3.140 -1.908 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.599 -4.273 -1.640 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.592 -6.379 -3.656 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.904 -5.824 -3.555 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.784 -5.721 -5.098 1.00 0.48 H new ATOM 1131 N ASP A 76 4.812 -1.108 -6.037 1.00 0.28 N ATOM 1132 CA ASP A 76 5.870 -0.723 -6.966 1.00 0.33 C ATOM 1133 C ASP A 76 6.583 0.543 -6.488 1.00 0.30 C ATOM 1134 O ASP A 76 7.779 0.663 -6.631 1.00 0.32 O ATOM 1135 CB ASP A 76 5.293 -0.515 -8.368 1.00 0.43 C ATOM 1136 CG ASP A 76 6.339 -0.163 -9.403 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.062 -1.066 -9.858 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.443 1.018 -9.799 1.00 0.68 O ATOM 0 H ASP A 76 3.883 -1.118 -6.458 1.00 0.28 H new ATOM 0 HA ASP A 76 6.602 -1.529 -7.004 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.777 -1.423 -8.679 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.547 0.279 -8.332 1.00 0.43 H new ATOM 1143 N LEU A 77 5.832 1.466 -5.897 1.00 0.29 N ATOM 1144 CA LEU A 77 6.398 2.702 -5.330 1.00 0.30 C ATOM 1145 C LEU A 77 7.331 2.371 -4.169 1.00 0.28 C ATOM 1146 O LEU A 77 8.416 2.955 -4.027 1.00 0.35 O ATOM 1147 CB LEU A 77 5.287 3.616 -4.805 1.00 0.35 C ATOM 1148 CG LEU A 77 4.256 4.101 -5.808 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.167 4.872 -5.086 1.00 0.49 C ATOM 1150 CD2 LEU A 77 4.913 4.975 -6.861 1.00 0.45 C ATOM 0 H LEU A 77 4.820 1.387 -5.794 1.00 0.29 H new ATOM 0 HA LEU A 77 6.948 3.209 -6.123 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.762 3.087 -4.010 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.755 4.490 -4.352 1.00 0.35 H new ATOM 0 HG LEU A 77 3.812 3.240 -6.307 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.428 5.219 -5.808 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.684 4.222 -4.356 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.606 5.729 -4.575 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.161 5.315 -7.573 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.375 5.838 -6.381 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.676 4.401 -7.386 1.00 0.45 H new ATOM 1162 N ILE A 78 6.876 1.441 -3.337 1.00 0.27 N ATOM 1163 CA ILE A 78 7.609 0.977 -2.161 1.00 0.29 C ATOM 1164 C ILE A 78 8.909 0.319 -2.619 1.00 0.30 C ATOM 1165 O ILE A 78 10.013 0.782 -2.308 1.00 0.31 O ATOM 1166 CB ILE A 78 6.782 -0.100 -1.390 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.358 0.392 -1.055 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.512 -0.526 -0.115 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.294 1.589 -0.131 1.00 0.38 C ATOM 0 H ILE A 78 5.974 0.980 -3.461 1.00 0.27 H new ATOM 0 HA ILE A 78 7.800 1.831 -1.511 1.00 0.29 H new ATOM 0 HB ILE A 78 6.682 -0.963 -2.048 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.849 0.643 -1.985 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.804 -0.429 -0.600 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.921 -1.277 0.409 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.484 -0.946 -0.375 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.652 0.341 0.531 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.252 1.858 0.044 1.00 0.38 H new ATOM 0 HD12 ILE A 78 5.769 1.342 0.818 1.00 0.38 H new ATOM 0 HD13 ILE A 78 5.814 2.430 -0.589 1.00 0.38 H new ATOM 1181 N ASN A 79 8.755 -0.749 -3.380 1.00 0.34 N ATOM 1182 CA ASN A 79 9.874 -1.551 -3.865 1.00 0.41 C ATOM 1183 C ASN A 79 10.770 -0.762 -4.787 1.00 0.38 C ATOM 1184 O ASN A 79 11.961 -1.022 -4.872 1.00 0.42 O ATOM 1185 CB ASN A 79 9.386 -2.827 -4.557 1.00 0.53 C ATOM 1186 CG ASN A 79 8.666 -3.767 -3.612 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.932 -3.786 -2.417 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.762 -4.561 -4.136 1.00 0.63 N ATOM 0 H ASN A 79 7.843 -1.091 -3.684 1.00 0.34 H new ATOM 0 HA ASN A 79 10.461 -1.837 -2.992 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.717 -2.559 -5.375 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.238 -3.344 -4.998 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.257 -5.220 -3.543 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.565 -4.519 -5.136 1.00 0.63 H new ATOM 1195 N GLY A 80 10.196 0.200 -5.476 1.00 0.38 N ATOM 1196 CA GLY A 80 10.964 1.067 -6.335 1.00 0.42 C ATOM 1197 C GLY A 80 11.884 1.954 -5.539 1.00 0.38 C ATOM 1198 O GLY A 80 13.017 2.215 -5.943 1.00 0.46 O ATOM 0 H GLY A 80 9.196 0.400 -5.456 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.548 0.466 -7.032 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.289 1.681 -6.931 1.00 0.42 H new ATOM 1202 N ALA A 81 11.410 2.401 -4.392 1.00 0.31 N ATOM 1203 CA ALA A 81 12.209 3.221 -3.512 1.00 0.32 C ATOM 1204 C ALA A 81 13.313 2.383 -2.892 1.00 0.33 C ATOM 1205 O ALA A 81 14.449 2.801 -2.835 1.00 0.45 O ATOM 1206 CB ALA A 81 11.346 3.852 -2.428 1.00 0.33 C ATOM 0 H ALA A 81 10.469 2.207 -4.049 1.00 0.31 H new ATOM 0 HA ALA A 81 12.657 4.026 -4.095 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.970 4.465 -1.777 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.580 4.476 -2.890 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.869 3.068 -1.840 1.00 0.33 H new ATOM 1212 N LEU A 82 12.970 1.171 -2.481 1.00 0.29 N ATOM 1213 CA LEU A 82 13.924 0.262 -1.846 1.00 0.36 C ATOM 1214 C LEU A 82 14.916 -0.344 -2.831 1.00 0.46 C ATOM 1215 O LEU A 82 15.936 -0.879 -2.421 1.00 0.61 O ATOM 1216 CB LEU A 82 13.195 -0.836 -1.061 1.00 0.42 C ATOM 1217 CG LEU A 82 12.444 -0.356 0.178 1.00 0.55 C ATOM 1218 CD1 LEU A 82 11.623 -1.466 0.794 1.00 0.74 C ATOM 1219 CD2 LEU A 82 13.413 0.217 1.206 1.00 0.67 C ATOM 0 H LEU A 82 12.029 0.788 -2.576 1.00 0.29 H new ATOM 0 HA LEU A 82 14.507 0.864 -1.150 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.487 -1.329 -1.728 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.923 -1.588 -0.757 1.00 0.42 H new ATOM 0 HG LEU A 82 11.760 0.431 -0.138 1.00 0.55 H new ATOM 0 HD11 LEU A 82 11.102 -1.088 1.674 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.894 -1.826 0.068 1.00 0.74 H new ATOM 0 HD13 LEU A 82 12.280 -2.286 1.085 1.00 0.74 H new ATOM 0 HD21 LEU A 82 12.858 0.553 2.081 1.00 0.67 H new ATOM 0 HD22 LEU A 82 14.126 -0.552 1.502 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.949 1.060 0.770 1.00 0.67 H new ATOM 1231 N ALA A 83 14.613 -0.255 -4.117 1.00 0.54 N ATOM 1232 CA ALA A 83 15.485 -0.783 -5.165 1.00 0.69 C ATOM 1233 C ALA A 83 16.844 -0.085 -5.165 1.00 0.73 C ATOM 1234 O ALA A 83 17.880 -0.706 -5.476 1.00 0.84 O ATOM 1235 CB ALA A 83 14.826 -0.660 -6.529 1.00 0.88 C ATOM 0 H ALA A 83 13.761 0.183 -4.467 1.00 0.54 H new ATOM 0 HA ALA A 83 15.650 -1.839 -4.953 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.493 -1.059 -7.293 1.00 0.88 H new ATOM 0 HB2 ALA A 83 13.892 -1.222 -6.534 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.619 0.389 -6.740 1.00 0.88 H new ATOM 1241 N GLU A 84 16.852 1.188 -4.826 1.00 0.82 N ATOM 1242 CA GLU A 84 18.092 1.933 -4.760 1.00 1.07 C ATOM 1243 C GLU A 84 18.291 2.500 -3.356 1.00 1.53 C ATOM 1244 O GLU A 84 19.409 2.517 -2.842 1.00 1.82 O ATOM 1245 CB GLU A 84 18.141 3.012 -5.848 1.00 1.50 C ATOM 1246 CG GLU A 84 19.468 3.745 -5.946 1.00 2.18 C ATOM 1247 CD GLU A 84 19.566 4.584 -7.191 1.00 2.92 C ATOM 1248 OE1 GLU A 84 19.880 4.021 -8.259 1.00 3.64 O ATOM 1249 OE2 GLU A 84 19.345 5.811 -7.129 1.00 3.21 O ATOM 0 H GLU A 84 16.018 1.726 -4.593 1.00 0.82 H new ATOM 0 HA GLU A 84 18.926 1.259 -4.957 1.00 1.07 H new ATOM 0 HB2 GLU A 84 17.923 2.550 -6.811 1.00 1.50 H new ATOM 0 HB3 GLU A 84 17.352 3.739 -5.657 1.00 1.50 H new ATOM 0 HG2 GLU A 84 19.594 4.382 -5.070 1.00 2.18 H new ATOM 0 HG3 GLU A 84 20.282 3.021 -5.934 1.00 2.18 H new ATOM 1256 N ALA A 85 17.192 2.960 -2.750 1.00 2.09 N ATOM 1257 CA ALA A 85 17.149 3.441 -1.358 1.00 2.99 C ATOM 1258 C ALA A 85 18.034 4.666 -1.132 1.00 3.79 C ATOM 1259 O ALA A 85 18.451 4.961 0.001 1.00 4.38 O ATOM 1260 CB ALA A 85 17.487 2.311 -0.387 1.00 3.58 C ATOM 0 H ALA A 85 16.288 3.011 -3.219 1.00 2.09 H new ATOM 0 HA ALA A 85 16.128 3.766 -1.159 1.00 2.99 H new ATOM 0 HB1 ALA A 85 17.450 2.687 0.636 1.00 3.58 H new ATOM 0 HB2 ALA A 85 16.765 1.503 -0.503 1.00 3.58 H new ATOM 0 HB3 ALA A 85 18.488 1.936 -0.600 1.00 3.58 H new ATOM 1266 N ALA A 86 18.278 5.398 -2.181 1.00 4.29 N ATOM 1267 CA ALA A 86 19.081 6.575 -2.110 1.00 5.37 C ATOM 1268 C ALA A 86 18.332 7.697 -2.781 1.00 6.06 C ATOM 1269 O ALA A 86 17.490 8.326 -2.124 1.00 6.58 O ATOM 1270 CB ALA A 86 20.435 6.336 -2.764 1.00 6.00 C ATOM 1271 OXT ALA A 86 18.514 7.919 -3.984 1.00 6.33 O ATOM 0 H ALA A 86 17.921 5.190 -3.114 1.00 4.29 H new ATOM 0 HA ALA A 86 19.273 6.842 -1.071 1.00 5.37 H new ATOM 0 HB1 ALA A 86 21.035 7.244 -2.701 1.00 6.00 H new ATOM 0 HB2 ALA A 86 20.950 5.525 -2.249 1.00 6.00 H new ATOM 0 HB3 ALA A 86 20.291 6.068 -3.811 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -8.836 11.744 -0.598 1.00 1.37 P HETATM 1279 O26 SXA A 87 -8.581 11.949 -2.123 1.00 2.26 O HETATM 1280 O23 SXA A 87 -10.308 11.569 -0.122 1.00 1.84 O HETATM 1281 O27 SXA A 87 -8.192 12.901 0.171 1.00 1.75 O HETATM 1282 C28 SXA A 87 -8.627 14.265 -0.126 1.00 2.13 C HETATM 1283 C29 SXA A 87 -7.854 15.278 0.727 1.00 3.11 C HETATM 1284 C30 SXA A 87 -8.217 14.975 2.166 1.00 3.58 C HETATM 1285 C31 SXA A 87 -6.340 15.106 0.511 1.00 3.66 C HETATM 1286 C32 SXA A 87 -8.291 16.761 0.322 1.00 3.95 C HETATM 1287 O33 SXA A 87 -8.139 16.964 -1.081 1.00 4.27 O HETATM 1288 C34 SXA A 87 -7.437 17.852 1.002 1.00 4.82 C HETATM 1289 O35 SXA A 87 -6.823 18.654 0.283 1.00 5.39 O HETATM 1290 N36 SXA A 87 -7.384 17.886 2.322 1.00 5.21 N HETATM 1291 C37 SXA A 87 -6.605 18.861 3.099 1.00 6.20 C HETATM 1292 C38 SXA A 87 -6.991 18.892 4.586 1.00 6.79 C HETATM 1293 C39 SXA A 87 -8.372 19.501 4.876 1.00 6.69 C HETATM 1294 O40 SXA A 87 -8.796 19.611 6.039 1.00 7.13 O HETATM 1295 N41 SXA A 87 -9.053 19.896 3.808 1.00 6.49 N HETATM 1296 C42 SXA A 87 -10.376 20.498 3.815 1.00 6.81 C HETATM 1297 C43 SXA A 87 -10.556 21.374 2.601 1.00 6.95 C HETATM 1298 S1 SXA A 87 -10.017 20.507 1.200 1.00 7.34 S HETATM 1299 C1 SXA A 87 -10.238 21.774 0.030 1.00 7.74 C HETATM 1300 O1 SXA A 87 -10.729 22.887 0.289 1.00 7.80 O HETATM 1301 C2 SXA A 87 -9.766 21.425 -1.366 1.00 8.41 C HETATM 0 HO33 SXA A 87 -7.451 17.644 -1.241 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -8.608 19.765 2.900 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -7.920 17.188 2.837 1.00 5.21 H new HETATM 0 H43A SXA A 87 -11.603 21.655 2.491 1.00 6.95 H new HETATM 0 H42A SXA A 87 -11.138 19.719 3.826 1.00 6.81 H new HETATM 0 H38A SXA A 87 -6.968 17.874 4.975 1.00 6.79 H new HETATM 0 H37A SXA A 87 -5.545 18.624 3.010 1.00 6.20 H new HETATM 0 H31B SXA A 87 -6.044 14.097 0.798 1.00 3.66 H new HETATM 0 H31A SXA A 87 -6.102 15.269 -0.540 1.00 3.66 H new HETATM 0 H30B SXA A 87 -9.293 15.086 2.301 1.00 3.58 H new HETATM 0 H30A SXA A 87 -7.925 13.953 2.407 1.00 3.58 H new HETATM 0 H28A SXA A 87 -8.472 14.479 -1.183 1.00 2.13 H new HETATM 0 H43 SXA A 87 -9.988 22.297 2.715 1.00 6.95 H new HETATM 0 H42 SXA A 87 -10.510 21.088 4.721 1.00 6.81 H new HETATM 0 H38 SXA A 87 -6.237 19.459 5.132 1.00 6.79 H new HETATM 0 H37 SXA A 87 -6.747 19.854 2.672 1.00 6.20 H new HETATM 0 H32 SXA A 87 -9.329 16.848 0.644 1.00 3.95 H new HETATM 0 H31 SXA A 87 -5.801 15.830 1.121 1.00 3.66 H new HETATM 0 H30 SXA A 87 -7.695 15.667 2.826 1.00 3.58 H new HETATM 0 H2B SXA A 87 -8.701 21.196 -1.343 1.00 8.41 H new HETATM 0 H2A SXA A 87 -10.316 20.557 -1.730 1.00 8.41 H new HETATM 0 H28 SXA A 87 -9.696 14.361 0.066 1.00 2.13 H new HETATM 0 H2 SXA A 87 -9.941 22.270 -2.031 1.00 8.41 H new