USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 -129:sc= -0.613 USER MOD Set 1.2: A 48 THR OG1 : rot 72:sc= 0.949 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= -0.0117 (180deg=-0.212) USER MOD Single : A 3 THR OG1 : rot 115:sc= 0.902 USER MOD Single : A 6 THR OG1 : rot -110:sc= 1.93 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 40 TYR OH : rot 165:sc= -0.794 USER MOD Single : A 46 MET CE :methyl 151:sc= -0.862 (180deg=-2.18!) USER MOD Single : A 54 SER OG : rot 87:sc= 1.24 USER MOD Single : A 56 TYR OH : rot 30:sc= -2 USER MOD Single : A 59 SER OG : rot 19:sc= 0.878 USER MOD Single : A 70 THR OG1 : rot -78:sc= 0.427 USER MOD Single : A 79 ASN : amide:sc= 0.0629 K(o=0.063,f=-12!) USER MOD Single : A 87 SXO O33 : rot -11:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.882 14.292 -2.350 1.00 3.98 N ATOM 2 CA MET A 1 -16.490 13.791 -2.290 1.00 3.18 C ATOM 3 C MET A 1 -16.183 13.289 -0.888 1.00 2.64 C ATOM 4 O MET A 1 -16.728 13.796 0.092 1.00 2.90 O ATOM 5 CB MET A 1 -15.501 14.896 -2.670 1.00 3.46 C ATOM 6 CG MET A 1 -15.656 15.402 -4.098 1.00 3.84 C ATOM 7 SD MET A 1 -14.542 16.768 -4.480 1.00 4.73 S ATOM 8 CE MET A 1 -14.983 17.098 -6.182 1.00 5.02 C ATOM 0 H1 MET A 1 -18.389 13.817 -3.124 1.00 3.98 H new ATOM 0 H2 MET A 1 -18.362 14.093 -1.449 1.00 3.98 H new ATOM 0 H3 MET A 1 -17.875 15.318 -2.519 1.00 3.98 H new ATOM 0 HA MET A 1 -16.386 12.971 -3.001 1.00 3.18 H new ATOM 0 HB2 MET A 1 -15.626 15.733 -1.983 1.00 3.46 H new ATOM 0 HB3 MET A 1 -14.486 14.523 -2.536 1.00 3.46 H new ATOM 0 HG2 MET A 1 -15.469 14.582 -4.791 1.00 3.84 H new ATOM 0 HG3 MET A 1 -16.685 15.724 -4.255 1.00 3.84 H new ATOM 0 HE1 MET A 1 -14.378 17.921 -6.562 1.00 5.02 H new ATOM 0 HE2 MET A 1 -14.803 16.207 -6.784 1.00 5.02 H new ATOM 0 HE3 MET A 1 -16.038 17.367 -6.239 1.00 5.02 H new ATOM 20 N ALA A 2 -15.315 12.296 -0.797 1.00 2.32 N ATOM 21 CA ALA A 2 -14.992 11.679 0.479 1.00 1.93 C ATOM 22 C ALA A 2 -13.497 11.430 0.597 1.00 1.46 C ATOM 23 O ALA A 2 -12.764 11.513 -0.394 1.00 1.43 O ATOM 24 CB ALA A 2 -15.758 10.372 0.630 1.00 2.06 C ATOM 0 H ALA A 2 -14.819 11.898 -1.595 1.00 2.32 H new ATOM 0 HA ALA A 2 -15.286 12.360 1.278 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -15.512 9.914 1.588 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.829 10.571 0.587 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.483 9.694 -0.177 1.00 2.06 H new ATOM 30 N THR A 3 -13.048 11.134 1.805 1.00 1.35 N ATOM 31 CA THR A 3 -11.652 10.809 2.031 1.00 1.09 C ATOM 32 C THR A 3 -11.348 9.415 1.477 1.00 0.90 C ATOM 33 O THR A 3 -12.064 8.448 1.757 1.00 1.14 O ATOM 34 CB THR A 3 -11.295 10.895 3.537 1.00 1.49 C ATOM 35 OG1 THR A 3 -9.903 10.617 3.737 1.00 2.10 O ATOM 36 CG2 THR A 3 -12.138 9.940 4.370 1.00 2.10 C ATOM 0 H THR A 3 -13.630 11.112 2.643 1.00 1.35 H new ATOM 0 HA THR A 3 -11.036 11.539 1.506 1.00 1.09 H new ATOM 0 HB THR A 3 -11.512 11.911 3.867 1.00 1.49 H new ATOM 0 HG1 THR A 3 -9.455 11.419 4.077 1.00 2.10 H new ATOM 0 HG21 THR A 3 -11.859 10.029 5.420 1.00 2.10 H new ATOM 0 HG22 THR A 3 -13.193 10.189 4.253 1.00 2.10 H new ATOM 0 HG23 THR A 3 -11.967 8.917 4.035 1.00 2.10 H new ATOM 44 N LEU A 4 -10.296 9.323 0.674 1.00 0.64 N ATOM 45 CA LEU A 4 -9.966 8.093 -0.035 1.00 0.51 C ATOM 46 C LEU A 4 -8.452 7.926 -0.098 1.00 0.45 C ATOM 47 O LEU A 4 -7.711 8.755 0.431 1.00 0.52 O ATOM 48 CB LEU A 4 -10.543 8.135 -1.459 1.00 0.57 C ATOM 49 CG LEU A 4 -12.070 8.246 -1.560 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.495 8.487 -3.001 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.740 6.993 -1.017 1.00 0.84 C ATOM 0 H LEU A 4 -9.651 10.093 0.496 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.400 7.248 0.499 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -10.101 8.981 -1.985 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.228 7.234 -1.985 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.387 9.096 -0.956 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.581 8.563 -3.052 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -12.049 9.414 -3.362 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -12.160 7.657 -3.623 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.822 7.094 -1.099 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.412 6.127 -1.592 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.466 6.858 0.029 1.00 0.84 H new ATOM 63 N LEU A 5 -7.995 6.862 -0.741 1.00 0.39 N ATOM 64 CA LEU A 5 -6.571 6.570 -0.809 1.00 0.35 C ATOM 65 C LEU A 5 -5.942 7.356 -1.964 1.00 0.35 C ATOM 66 O LEU A 5 -6.376 7.235 -3.109 1.00 0.41 O ATOM 67 CB LEU A 5 -6.372 5.054 -0.995 1.00 0.38 C ATOM 68 CG LEU A 5 -5.034 4.476 -0.518 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.108 2.959 -0.464 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.893 4.906 -1.420 1.00 0.98 C ATOM 0 H LEU A 5 -8.589 6.187 -1.223 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.081 6.872 0.116 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.174 4.537 -0.468 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.486 4.822 -2.054 1.00 0.38 H new ATOM 0 HG LEU A 5 -4.840 4.864 0.482 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.152 2.560 -0.124 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.894 2.657 0.228 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.331 2.570 -1.458 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.959 4.479 -1.054 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -4.079 4.555 -2.435 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -3.819 5.994 -1.420 1.00 0.98 H new ATOM 82 N THR A 6 -4.942 8.170 -1.667 1.00 0.39 N ATOM 83 CA THR A 6 -4.258 8.930 -2.699 1.00 0.49 C ATOM 84 C THR A 6 -2.843 8.407 -2.875 1.00 0.42 C ATOM 85 O THR A 6 -2.351 7.643 -2.040 1.00 0.41 O ATOM 86 CB THR A 6 -4.199 10.439 -2.371 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.343 10.661 -1.243 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.588 10.994 -2.081 1.00 1.03 C ATOM 0 H THR A 6 -4.587 8.321 -0.723 1.00 0.39 H new ATOM 0 HA THR A 6 -4.828 8.806 -3.620 1.00 0.49 H new ATOM 0 HB THR A 6 -3.798 10.959 -3.241 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.882 10.935 -0.472 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.515 12.057 -1.854 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.226 10.853 -2.954 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.019 10.469 -1.228 1.00 1.03 H new ATOM 96 N THR A 7 -2.194 8.801 -3.965 1.00 0.47 N ATOM 97 CA THR A 7 -0.803 8.443 -4.197 1.00 0.45 C ATOM 98 C THR A 7 0.081 8.915 -3.040 1.00 0.34 C ATOM 99 O THR A 7 0.980 8.197 -2.599 1.00 0.33 O ATOM 100 CB THR A 7 -0.294 9.049 -5.519 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.313 8.938 -6.528 1.00 1.30 O ATOM 102 CG2 THR A 7 0.967 8.337 -5.984 1.00 1.06 C ATOM 0 H THR A 7 -2.611 9.369 -4.702 1.00 0.47 H new ATOM 0 HA THR A 7 -0.748 7.356 -4.263 1.00 0.45 H new ATOM 0 HB THR A 7 -0.059 10.100 -5.352 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.987 9.326 -7.367 1.00 1.30 H new ATOM 0 HG21 THR A 7 1.311 8.779 -6.919 1.00 1.06 H new ATOM 0 HG22 THR A 7 1.744 8.441 -5.226 1.00 1.06 H new ATOM 0 HG23 THR A 7 0.751 7.280 -6.140 1.00 1.06 H new ATOM 110 N ASP A 8 -0.197 10.117 -2.541 1.00 0.41 N ATOM 111 CA ASP A 8 0.570 10.692 -1.439 1.00 0.46 C ATOM 112 C ASP A 8 0.282 9.962 -0.134 1.00 0.40 C ATOM 113 O ASP A 8 1.195 9.715 0.656 1.00 0.48 O ATOM 114 CB ASP A 8 0.266 12.184 -1.283 1.00 0.64 C ATOM 115 CG ASP A 8 0.744 13.002 -2.466 1.00 1.36 C ATOM 116 OD1 ASP A 8 0.021 13.068 -3.484 1.00 2.19 O ATOM 117 OD2 ASP A 8 1.846 13.586 -2.381 1.00 1.63 O ATOM 0 H ASP A 8 -0.950 10.713 -2.884 1.00 0.41 H new ATOM 0 HA ASP A 8 1.627 10.574 -1.676 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.808 12.321 -1.161 1.00 0.64 H new ATOM 0 HB3 ASP A 8 0.740 12.555 -0.374 1.00 0.64 H new ATOM 122 N ASP A 9 -0.983 9.606 0.086 1.00 0.40 N ATOM 123 CA ASP A 9 -1.365 8.838 1.272 1.00 0.44 C ATOM 124 C ASP A 9 -0.674 7.486 1.266 1.00 0.38 C ATOM 125 O ASP A 9 -0.171 7.030 2.291 1.00 0.44 O ATOM 126 CB ASP A 9 -2.879 8.621 1.342 1.00 0.58 C ATOM 127 CG ASP A 9 -3.632 9.792 1.946 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.648 9.920 3.190 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.235 10.573 1.181 1.00 1.12 O ATOM 0 H ASP A 9 -1.757 9.835 -0.537 1.00 0.40 H new ATOM 0 HA ASP A 9 -1.055 9.414 2.144 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.258 8.435 0.337 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -3.083 7.726 1.930 1.00 0.58 H new ATOM 134 N LEU A 10 -0.644 6.855 0.102 1.00 0.35 N ATOM 135 CA LEU A 10 0.026 5.573 -0.055 1.00 0.37 C ATOM 136 C LEU A 10 1.521 5.730 0.203 1.00 0.37 C ATOM 137 O LEU A 10 2.124 4.935 0.921 1.00 0.42 O ATOM 138 CB LEU A 10 -0.213 5.016 -1.462 1.00 0.42 C ATOM 139 CG LEU A 10 0.333 3.604 -1.710 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.325 2.603 -0.772 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.120 3.202 -3.162 1.00 0.79 C ATOM 0 H LEU A 10 -1.077 7.211 -0.750 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.385 4.871 0.670 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.286 5.012 -1.656 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.239 5.695 -2.185 1.00 0.42 H new ATOM 0 HG LEU A 10 1.404 3.606 -1.507 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.075 1.607 -0.963 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -0.121 2.884 0.261 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.402 2.600 -0.941 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.512 2.198 -3.323 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.946 3.216 -3.391 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.640 3.904 -3.814 1.00 0.79 H new ATOM 153 N ARG A 11 2.104 6.770 -0.389 1.00 0.37 N ATOM 154 CA ARG A 11 3.517 7.080 -0.200 1.00 0.45 C ATOM 155 C ARG A 11 3.856 7.222 1.284 1.00 0.48 C ATOM 156 O ARG A 11 4.764 6.561 1.788 1.00 0.60 O ATOM 157 CB ARG A 11 3.887 8.372 -0.937 1.00 0.52 C ATOM 158 CG ARG A 11 5.347 8.768 -0.776 1.00 0.67 C ATOM 159 CD ARG A 11 5.593 10.198 -1.237 1.00 0.85 C ATOM 160 NE ARG A 11 5.324 10.379 -2.664 1.00 1.04 N ATOM 161 CZ ARG A 11 4.931 11.533 -3.209 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.712 12.593 -2.445 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.745 11.626 -4.519 1.00 2.17 N ATOM 0 H ARG A 11 1.614 7.416 -1.008 1.00 0.37 H new ATOM 0 HA ARG A 11 4.095 6.253 -0.612 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.667 8.251 -1.998 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.257 9.183 -0.571 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.639 8.667 0.269 1.00 0.67 H new ATOM 0 HG3 ARG A 11 5.975 8.087 -1.350 1.00 0.67 H new ATOM 0 HD2 ARG A 11 4.962 10.876 -0.662 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.627 10.471 -1.028 1.00 0.85 H new ATOM 0 HE ARG A 11 5.444 9.575 -3.280 1.00 1.04 H new ATOM 0 HH11 ARG A 11 4.843 12.530 -1.435 1.00 1.64 H new ATOM 0 HH12 ARG A 11 4.412 13.472 -2.866 1.00 1.64 H new ATOM 0 HH21 ARG A 11 4.902 10.814 -5.115 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.445 12.510 -4.930 1.00 2.17 H new ATOM 177 N ARG A 12 3.108 8.074 1.981 1.00 0.43 N ATOM 178 CA ARG A 12 3.387 8.365 3.383 1.00 0.46 C ATOM 179 C ARG A 12 3.142 7.139 4.252 1.00 0.44 C ATOM 180 O ARG A 12 3.805 6.949 5.270 1.00 0.46 O ATOM 181 CB ARG A 12 2.540 9.547 3.874 1.00 0.53 C ATOM 182 CG ARG A 12 1.061 9.230 3.978 1.00 0.91 C ATOM 183 CD ARG A 12 0.271 10.386 4.566 1.00 1.49 C ATOM 184 NE ARG A 12 0.731 10.727 5.908 1.00 2.06 N ATOM 185 CZ ARG A 12 0.223 11.703 6.652 1.00 2.93 C ATOM 186 NH1 ARG A 12 -0.827 12.401 6.229 1.00 3.32 N ATOM 187 NH2 ARG A 12 0.760 11.962 7.840 1.00 3.66 N ATOM 0 H ARG A 12 2.306 8.574 1.598 1.00 0.43 H new ATOM 0 HA ARG A 12 4.439 8.638 3.465 1.00 0.46 H new ATOM 0 HB2 ARG A 12 2.905 9.864 4.851 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.676 10.388 3.194 1.00 0.53 H new ATOM 0 HG2 ARG A 12 0.671 8.991 2.989 1.00 0.91 H new ATOM 0 HG3 ARG A 12 0.923 8.344 4.598 1.00 0.91 H new ATOM 0 HD2 ARG A 12 0.363 11.257 3.917 1.00 1.49 H new ATOM 0 HD3 ARG A 12 -0.787 10.124 4.599 1.00 1.49 H new ATOM 0 HE ARG A 12 1.495 10.178 6.302 1.00 2.06 H new ATOM 0 HH11 ARG A 12 -1.250 12.189 5.325 1.00 3.32 H new ATOM 0 HH12 ARG A 12 -1.209 13.148 6.808 1.00 3.32 H new ATOM 0 HH21 ARG A 12 1.554 11.414 8.171 1.00 3.66 H new ATOM 0 HH22 ARG A 12 0.378 12.709 8.420 1.00 3.66 H new ATOM 201 N ALA A 13 2.211 6.288 3.827 1.00 0.43 N ATOM 202 CA ALA A 13 1.861 5.099 4.588 1.00 0.44 C ATOM 203 C ALA A 13 3.052 4.163 4.704 1.00 0.43 C ATOM 204 O ALA A 13 3.353 3.669 5.787 1.00 0.47 O ATOM 205 CB ALA A 13 0.686 4.383 3.943 1.00 0.49 C ATOM 0 H ALA A 13 1.687 6.403 2.959 1.00 0.43 H new ATOM 0 HA ALA A 13 1.571 5.410 5.592 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.437 3.496 4.525 1.00 0.49 H new ATOM 0 HB2 ALA A 13 -0.175 5.051 3.913 1.00 0.49 H new ATOM 0 HB3 ALA A 13 0.952 4.088 2.928 1.00 0.49 H new ATOM 211 N LEU A 14 3.734 3.938 3.588 1.00 0.41 N ATOM 212 CA LEU A 14 4.919 3.085 3.570 1.00 0.45 C ATOM 213 C LEU A 14 6.022 3.668 4.455 1.00 0.47 C ATOM 214 O LEU A 14 6.660 2.953 5.231 1.00 0.53 O ATOM 215 CB LEU A 14 5.439 2.900 2.132 1.00 0.49 C ATOM 216 CG LEU A 14 4.782 1.772 1.315 1.00 0.51 C ATOM 217 CD1 LEU A 14 4.997 0.425 1.989 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.299 2.033 1.108 1.00 0.70 C ATOM 0 H LEU A 14 3.487 4.335 2.681 1.00 0.41 H new ATOM 0 HA LEU A 14 4.634 2.110 3.965 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.302 3.838 1.594 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.512 2.712 2.176 1.00 0.49 H new ATOM 0 HG LEU A 14 5.259 1.750 0.335 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.525 -0.358 1.396 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.065 0.225 2.070 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.555 0.442 2.985 1.00 0.79 H new ATOM 0 HD21 LEU A 14 2.864 1.219 0.528 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.802 2.095 2.076 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.166 2.972 0.571 1.00 0.70 H new ATOM 230 N VAL A 15 6.215 4.973 4.347 1.00 0.50 N ATOM 231 CA VAL A 15 7.255 5.671 5.090 1.00 0.57 C ATOM 232 C VAL A 15 6.978 5.644 6.594 1.00 0.60 C ATOM 233 O VAL A 15 7.804 5.184 7.379 1.00 0.71 O ATOM 234 CB VAL A 15 7.372 7.142 4.630 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.452 7.870 5.418 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.654 7.224 3.135 1.00 0.60 C ATOM 0 H VAL A 15 5.657 5.578 3.744 1.00 0.50 H new ATOM 0 HA VAL A 15 8.192 5.151 4.889 1.00 0.57 H new ATOM 0 HB VAL A 15 6.417 7.631 4.824 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.517 8.903 5.077 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.203 7.852 6.479 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.411 7.376 5.263 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.732 8.269 2.836 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.590 6.712 2.913 1.00 0.60 H new ATOM 0 HG23 VAL A 15 6.842 6.749 2.585 1.00 0.60 H new ATOM 246 N GLU A 16 5.807 6.132 6.985 1.00 0.59 N ATOM 247 CA GLU A 16 5.474 6.303 8.393 1.00 0.70 C ATOM 248 C GLU A 16 5.127 4.970 9.065 1.00 0.75 C ATOM 249 O GLU A 16 4.989 4.903 10.285 1.00 0.92 O ATOM 250 CB GLU A 16 4.325 7.301 8.531 1.00 0.86 C ATOM 251 CG GLU A 16 4.654 8.673 7.959 1.00 0.96 C ATOM 252 CD GLU A 16 3.474 9.623 8.002 1.00 1.17 C ATOM 253 OE1 GLU A 16 2.518 9.434 7.219 1.00 1.28 O ATOM 254 OE2 GLU A 16 3.495 10.558 8.821 1.00 1.49 O ATOM 0 H GLU A 16 5.068 6.418 6.342 1.00 0.59 H new ATOM 0 HA GLU A 16 6.353 6.694 8.906 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.445 6.905 8.025 1.00 0.86 H new ATOM 0 HB3 GLU A 16 4.067 7.406 9.585 1.00 0.86 H new ATOM 0 HG2 GLU A 16 5.484 9.106 8.518 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.988 8.561 6.927 1.00 0.96 H new ATOM 261 N SER A 17 4.991 3.914 8.270 1.00 0.68 N ATOM 262 CA SER A 17 4.770 2.580 8.819 1.00 0.78 C ATOM 263 C SER A 17 6.092 1.981 9.279 1.00 0.80 C ATOM 264 O SER A 17 6.167 1.354 10.337 1.00 1.05 O ATOM 265 CB SER A 17 4.114 1.667 7.773 1.00 0.81 C ATOM 266 OG SER A 17 3.865 0.366 8.286 1.00 1.25 O ATOM 0 H SER A 17 5.029 3.954 7.252 1.00 0.68 H new ATOM 0 HA SER A 17 4.099 2.664 9.674 1.00 0.78 H new ATOM 0 HB2 SER A 17 3.176 2.112 7.440 1.00 0.81 H new ATOM 0 HB3 SER A 17 4.760 1.595 6.898 1.00 0.81 H new ATOM 0 HG SER A 17 4.229 -0.304 7.670 1.00 1.25 H new ATOM 272 N ALA A 18 7.135 2.194 8.485 1.00 0.74 N ATOM 273 CA ALA A 18 8.449 1.651 8.792 1.00 0.87 C ATOM 274 C ALA A 18 9.229 2.585 9.710 1.00 1.11 C ATOM 275 O ALA A 18 9.830 2.150 10.687 1.00 1.68 O ATOM 276 CB ALA A 18 9.224 1.388 7.506 1.00 1.09 C ATOM 0 H ALA A 18 7.094 2.739 7.624 1.00 0.74 H new ATOM 0 HA ALA A 18 8.313 0.706 9.318 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.206 0.982 7.749 1.00 1.09 H new ATOM 0 HB2 ALA A 18 8.677 0.673 6.892 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.344 2.321 6.956 1.00 1.09 H new ATOM 282 N GLY A 19 9.210 3.871 9.386 1.00 1.18 N ATOM 283 CA GLY A 19 9.912 4.844 10.196 1.00 1.63 C ATOM 284 C GLY A 19 11.291 5.144 9.651 1.00 1.60 C ATOM 285 O GLY A 19 12.290 4.610 10.133 1.00 2.14 O ATOM 0 H GLY A 19 8.721 4.256 8.578 1.00 1.18 H new ATOM 0 HA2 GLY A 19 9.331 5.765 10.241 1.00 1.63 H new ATOM 0 HA3 GLY A 19 9.998 4.472 11.217 1.00 1.63 H new ATOM 289 N GLU A 20 11.347 5.990 8.629 1.00 1.86 N ATOM 290 CA GLU A 20 12.614 6.370 8.017 1.00 2.28 C ATOM 291 C GLU A 20 13.534 7.046 9.027 1.00 2.06 C ATOM 292 O GLU A 20 13.170 8.045 9.643 1.00 2.51 O ATOM 293 CB GLU A 20 12.386 7.308 6.834 1.00 3.28 C ATOM 294 CG GLU A 20 13.680 7.847 6.244 1.00 4.13 C ATOM 295 CD GLU A 20 13.454 8.895 5.180 1.00 4.94 C ATOM 296 OE1 GLU A 20 13.165 10.056 5.534 1.00 5.47 O ATOM 297 OE2 GLU A 20 13.590 8.562 3.990 1.00 5.32 O ATOM 0 H GLU A 20 10.528 6.426 8.206 1.00 1.86 H new ATOM 0 HA GLU A 20 13.090 5.455 7.664 1.00 2.28 H new ATOM 0 HB2 GLU A 20 11.833 6.778 6.059 1.00 3.28 H new ATOM 0 HB3 GLU A 20 11.764 8.144 7.155 1.00 3.28 H new ATOM 0 HG2 GLU A 20 14.287 8.274 7.043 1.00 4.13 H new ATOM 0 HG3 GLU A 20 14.250 7.021 5.817 1.00 4.13 H new ATOM 304 N THR A 21 14.717 6.486 9.207 1.00 2.21 N ATOM 305 CA THR A 21 15.719 7.093 10.058 1.00 2.61 C ATOM 306 C THR A 21 17.065 7.132 9.326 1.00 2.53 C ATOM 307 O THR A 21 18.136 7.137 9.936 1.00 3.19 O ATOM 308 CB THR A 21 15.851 6.317 11.384 1.00 3.61 C ATOM 309 OG1 THR A 21 14.553 5.894 11.833 1.00 3.97 O ATOM 310 CG2 THR A 21 16.485 7.184 12.459 1.00 4.47 C ATOM 0 H THR A 21 15.006 5.609 8.773 1.00 2.21 H new ATOM 0 HA THR A 21 15.410 8.112 10.291 1.00 2.61 H new ATOM 0 HB THR A 21 16.487 5.450 11.206 1.00 3.61 H new ATOM 0 HG1 THR A 21 14.643 5.400 12.675 1.00 3.97 H new ATOM 0 HG21 THR A 21 16.567 6.614 13.385 1.00 4.47 H new ATOM 0 HG22 THR A 21 17.478 7.496 12.136 1.00 4.47 H new ATOM 0 HG23 THR A 21 15.865 8.064 12.629 1.00 4.47 H new ATOM 318 N ASP A 22 16.991 7.197 8.000 1.00 2.22 N ATOM 319 CA ASP A 22 18.187 7.184 7.160 1.00 2.50 C ATOM 320 C ASP A 22 18.019 8.130 5.971 1.00 2.35 C ATOM 321 O ASP A 22 18.516 9.257 5.981 1.00 2.83 O ATOM 322 CB ASP A 22 18.479 5.764 6.646 1.00 3.16 C ATOM 323 CG ASP A 22 18.794 4.770 7.748 1.00 3.77 C ATOM 324 OD1 ASP A 22 19.981 4.638 8.115 1.00 4.01 O ATOM 325 OD2 ASP A 22 17.859 4.129 8.268 1.00 4.40 O ATOM 0 H ASP A 22 16.114 7.259 7.482 1.00 2.22 H new ATOM 0 HA ASP A 22 19.026 7.520 7.770 1.00 2.50 H new ATOM 0 HB2 ASP A 22 17.617 5.407 6.082 1.00 3.16 H new ATOM 0 HB3 ASP A 22 19.319 5.803 5.953 1.00 3.16 H new ATOM 330 N GLY A 23 17.297 7.670 4.959 1.00 2.30 N ATOM 331 CA GLY A 23 17.095 8.454 3.753 1.00 2.50 C ATOM 332 C GLY A 23 16.654 7.581 2.597 1.00 2.18 C ATOM 333 O GLY A 23 17.474 7.115 1.808 1.00 2.54 O ATOM 0 H GLY A 23 16.842 6.757 4.951 1.00 2.30 H new ATOM 0 HA2 GLY A 23 16.345 9.223 3.938 1.00 2.50 H new ATOM 0 HA3 GLY A 23 18.020 8.968 3.491 1.00 2.50 H new ATOM 337 N THR A 24 15.355 7.362 2.506 1.00 1.95 N ATOM 338 CA THR A 24 14.791 6.428 1.547 1.00 2.00 C ATOM 339 C THR A 24 14.149 7.166 0.376 1.00 1.78 C ATOM 340 O THR A 24 13.071 7.746 0.514 1.00 1.91 O ATOM 341 CB THR A 24 13.726 5.547 2.229 1.00 2.29 C ATOM 342 OG1 THR A 24 14.262 5.005 3.442 1.00 3.02 O ATOM 343 CG2 THR A 24 13.268 4.416 1.314 1.00 2.19 C ATOM 0 H THR A 24 14.662 7.825 3.093 1.00 1.95 H new ATOM 0 HA THR A 24 15.603 5.805 1.171 1.00 2.00 H new ATOM 0 HB THR A 24 12.859 6.169 2.451 1.00 2.29 H new ATOM 0 HG1 THR A 24 13.585 4.446 3.878 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.517 3.815 1.827 1.00 2.19 H new ATOM 0 HG22 THR A 24 12.838 4.835 0.404 1.00 2.19 H new ATOM 0 HG23 THR A 24 14.121 3.789 1.056 1.00 2.19 H new ATOM 351 N ASP A 25 14.828 7.169 -0.766 1.00 1.72 N ATOM 352 CA ASP A 25 14.283 7.780 -1.977 1.00 1.73 C ATOM 353 C ASP A 25 13.105 6.972 -2.507 1.00 1.40 C ATOM 354 O ASP A 25 13.257 6.139 -3.404 1.00 1.55 O ATOM 355 CB ASP A 25 15.349 7.906 -3.072 1.00 2.18 C ATOM 356 CG ASP A 25 16.384 8.968 -2.779 1.00 2.30 C ATOM 357 OD1 ASP A 25 16.124 10.151 -3.075 1.00 2.76 O ATOM 358 OD2 ASP A 25 17.458 8.627 -2.237 1.00 2.59 O ATOM 0 H ASP A 25 15.754 6.757 -0.880 1.00 1.72 H new ATOM 0 HA ASP A 25 13.943 8.780 -1.707 1.00 1.73 H new ATOM 0 HB2 ASP A 25 15.849 6.945 -3.195 1.00 2.18 H new ATOM 0 HB3 ASP A 25 14.861 8.135 -4.020 1.00 2.18 H new ATOM 363 N LEU A 26 11.936 7.200 -1.927 1.00 1.15 N ATOM 364 CA LEU A 26 10.712 6.543 -2.367 1.00 1.01 C ATOM 365 C LEU A 26 9.940 7.483 -3.288 1.00 1.04 C ATOM 366 O LEU A 26 8.811 7.216 -3.695 1.00 1.18 O ATOM 367 CB LEU A 26 9.874 6.147 -1.146 1.00 1.12 C ATOM 368 CG LEU A 26 8.694 5.218 -1.429 1.00 0.89 C ATOM 369 CD1 LEU A 26 9.188 3.881 -1.961 1.00 1.28 C ATOM 370 CD2 LEU A 26 7.860 5.022 -0.173 1.00 1.60 C ATOM 0 H LEU A 26 11.808 7.841 -1.144 1.00 1.15 H new ATOM 0 HA LEU A 26 10.951 5.636 -2.922 1.00 1.01 H new ATOM 0 HB2 LEU A 26 10.528 5.664 -0.420 1.00 1.12 H new ATOM 0 HB3 LEU A 26 9.494 7.055 -0.678 1.00 1.12 H new ATOM 0 HG LEU A 26 8.063 5.678 -2.190 1.00 0.89 H new ATOM 0 HD11 LEU A 26 8.336 3.230 -2.158 1.00 1.28 H new ATOM 0 HD12 LEU A 26 9.744 4.040 -2.885 1.00 1.28 H new ATOM 0 HD13 LEU A 26 9.839 3.413 -1.222 1.00 1.28 H new ATOM 0 HD21 LEU A 26 7.024 4.358 -0.392 1.00 1.60 H new ATOM 0 HD22 LEU A 26 8.478 4.582 0.609 1.00 1.60 H new ATOM 0 HD23 LEU A 26 7.479 5.986 0.165 1.00 1.60 H new ATOM 382 N SER A 27 10.584 8.588 -3.620 1.00 1.09 N ATOM 383 CA SER A 27 10.004 9.597 -4.489 1.00 1.24 C ATOM 384 C SER A 27 10.368 9.342 -5.952 1.00 1.33 C ATOM 385 O SER A 27 9.954 10.085 -6.841 1.00 1.85 O ATOM 386 CB SER A 27 10.484 10.976 -4.039 1.00 1.39 C ATOM 387 OG SER A 27 11.683 10.867 -3.283 1.00 2.08 O ATOM 0 H SER A 27 11.525 8.811 -3.295 1.00 1.09 H new ATOM 0 HA SER A 27 8.917 9.550 -4.416 1.00 1.24 H new ATOM 0 HB2 SER A 27 10.653 11.610 -4.909 1.00 1.39 H new ATOM 0 HB3 SER A 27 9.712 11.458 -3.439 1.00 1.39 H new ATOM 0 HG SER A 27 11.977 11.760 -3.005 1.00 2.08 H new ATOM 393 N GLY A 28 11.119 8.272 -6.196 1.00 1.34 N ATOM 394 CA GLY A 28 11.524 7.936 -7.551 1.00 1.58 C ATOM 395 C GLY A 28 10.580 6.949 -8.205 1.00 1.41 C ATOM 396 O GLY A 28 11.020 6.025 -8.891 1.00 1.84 O ATOM 0 H GLY A 28 11.455 7.630 -5.478 1.00 1.34 H new ATOM 0 HA2 GLY A 28 11.568 8.845 -8.151 1.00 1.58 H new ATOM 0 HA3 GLY A 28 12.530 7.516 -7.534 1.00 1.58 H new ATOM 400 N ASP A 29 9.283 7.165 -7.988 1.00 1.35 N ATOM 401 CA ASP A 29 8.221 6.279 -8.482 1.00 1.28 C ATOM 402 C ASP A 29 8.211 4.953 -7.723 1.00 1.21 C ATOM 403 O ASP A 29 9.214 4.544 -7.140 1.00 1.84 O ATOM 404 CB ASP A 29 8.335 6.039 -9.997 1.00 1.54 C ATOM 405 CG ASP A 29 7.252 5.112 -10.528 1.00 2.18 C ATOM 406 OD1 ASP A 29 6.089 5.223 -10.077 1.00 2.77 O ATOM 407 OD2 ASP A 29 7.559 4.278 -11.404 1.00 2.64 O ATOM 0 H ASP A 29 8.934 7.965 -7.461 1.00 1.35 H new ATOM 0 HA ASP A 29 7.272 6.784 -8.300 1.00 1.28 H new ATOM 0 HB2 ASP A 29 8.276 6.995 -10.517 1.00 1.54 H new ATOM 0 HB3 ASP A 29 9.313 5.614 -10.221 1.00 1.54 H new ATOM 412 N PHE A 30 7.062 4.292 -7.727 1.00 0.72 N ATOM 413 CA PHE A 30 6.880 3.058 -6.980 1.00 0.64 C ATOM 414 C PHE A 30 5.620 2.326 -7.430 1.00 0.53 C ATOM 415 O PHE A 30 5.536 1.108 -7.318 1.00 0.50 O ATOM 416 CB PHE A 30 6.811 3.347 -5.469 1.00 0.64 C ATOM 417 CG PHE A 30 5.813 4.412 -5.082 1.00 0.57 C ATOM 418 CD1 PHE A 30 6.187 5.747 -5.036 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.503 4.080 -4.772 1.00 0.70 C ATOM 420 CE1 PHE A 30 5.279 6.726 -4.685 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.591 5.059 -4.421 1.00 0.87 C ATOM 422 CZ PHE A 30 3.978 6.382 -4.380 1.00 0.92 C ATOM 0 H PHE A 30 6.236 4.594 -8.244 1.00 0.72 H new ATOM 0 HA PHE A 30 7.739 2.417 -7.179 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.560 2.424 -4.946 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.800 3.650 -5.124 1.00 0.64 H new ATOM 0 HD1 PHE A 30 7.202 6.024 -5.278 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.191 3.046 -4.805 1.00 0.70 H new ATOM 0 HE1 PHE A 30 5.587 7.761 -4.649 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.574 4.787 -4.179 1.00 0.87 H new ATOM 0 HZ PHE A 30 3.265 7.147 -4.110 1.00 0.92 H new ATOM 432 N LEU A 31 4.650 3.080 -7.943 1.00 0.50 N ATOM 433 CA LEU A 31 3.338 2.531 -8.297 1.00 0.45 C ATOM 434 C LEU A 31 3.430 1.357 -9.274 1.00 0.41 C ATOM 435 O LEU A 31 2.710 0.368 -9.127 1.00 0.43 O ATOM 436 CB LEU A 31 2.436 3.629 -8.866 1.00 0.52 C ATOM 437 CG LEU A 31 2.029 4.712 -7.860 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.266 5.825 -8.549 1.00 0.78 C ATOM 439 CD2 LEU A 31 1.184 4.120 -6.742 1.00 0.43 C ATOM 0 H LEU A 31 4.747 4.079 -8.125 1.00 0.50 H new ATOM 0 HA LEU A 31 2.900 2.143 -7.377 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.949 4.104 -9.702 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.534 3.167 -9.266 1.00 0.52 H new ATOM 0 HG LEU A 31 2.940 5.126 -7.428 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.987 6.583 -7.817 1.00 0.78 H new ATOM 0 HD12 LEU A 31 1.895 6.276 -9.316 1.00 0.78 H new ATOM 0 HD13 LEU A 31 0.366 5.418 -9.010 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.907 4.906 -6.040 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.282 3.676 -7.164 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.757 3.353 -6.220 1.00 0.43 H new ATOM 451 N ASP A 32 4.318 1.459 -10.256 1.00 0.41 N ATOM 452 CA ASP A 32 4.420 0.433 -11.296 1.00 0.43 C ATOM 453 C ASP A 32 5.470 -0.612 -10.928 1.00 0.42 C ATOM 454 O ASP A 32 5.518 -1.697 -11.504 1.00 0.51 O ATOM 455 CB ASP A 32 4.767 1.086 -12.639 1.00 0.56 C ATOM 456 CG ASP A 32 4.648 0.132 -13.816 1.00 1.39 C ATOM 457 OD1 ASP A 32 3.511 -0.192 -14.215 1.00 1.73 O ATOM 458 OD2 ASP A 32 5.691 -0.272 -14.372 1.00 2.29 O ATOM 0 H ASP A 32 4.974 2.233 -10.357 1.00 0.41 H new ATOM 0 HA ASP A 32 3.457 -0.071 -11.382 1.00 0.43 H new ATOM 0 HB2 ASP A 32 4.108 1.939 -12.802 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.785 1.474 -12.595 1.00 0.56 H new ATOM 463 N LEU A 33 6.295 -0.284 -9.947 1.00 0.43 N ATOM 464 CA LEU A 33 7.344 -1.189 -9.498 1.00 0.48 C ATOM 465 C LEU A 33 6.796 -2.153 -8.454 1.00 0.42 C ATOM 466 O LEU A 33 5.912 -1.801 -7.676 1.00 0.46 O ATOM 467 CB LEU A 33 8.524 -0.397 -8.925 1.00 0.56 C ATOM 468 CG LEU A 33 9.222 0.540 -9.915 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.282 1.367 -9.204 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.835 -0.257 -11.060 1.00 1.01 C ATOM 0 H LEU A 33 6.260 0.603 -9.445 1.00 0.43 H new ATOM 0 HA LEU A 33 7.697 -1.765 -10.354 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.169 0.193 -8.080 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.259 -1.101 -8.536 1.00 0.56 H new ATOM 0 HG LEU A 33 8.481 1.221 -10.333 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.769 2.028 -9.921 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.814 1.963 -8.421 1.00 1.23 H new ATOM 0 HD13 LEU A 33 11.024 0.703 -8.760 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.327 0.424 -11.755 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.566 -0.961 -10.663 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.051 -0.805 -11.583 1.00 1.01 H new ATOM 482 N ARG A 34 7.315 -3.372 -8.444 1.00 0.40 N ATOM 483 CA ARG A 34 6.847 -4.384 -7.503 1.00 0.39 C ATOM 484 C ARG A 34 7.305 -4.057 -6.086 1.00 0.36 C ATOM 485 O ARG A 34 8.361 -3.449 -5.896 1.00 0.42 O ATOM 486 CB ARG A 34 7.363 -5.769 -7.900 1.00 0.50 C ATOM 487 CG ARG A 34 7.147 -6.096 -9.365 1.00 0.66 C ATOM 488 CD ARG A 34 7.630 -7.494 -9.707 1.00 0.80 C ATOM 489 NE ARG A 34 6.711 -8.521 -9.222 1.00 1.41 N ATOM 490 CZ ARG A 34 7.095 -9.715 -8.775 1.00 1.84 C ATOM 491 NH1 ARG A 34 8.379 -10.050 -8.774 1.00 1.72 N ATOM 492 NH2 ARG A 34 6.189 -10.584 -8.348 1.00 2.88 N ATOM 0 H ARG A 34 8.056 -3.685 -9.072 1.00 0.40 H new ATOM 0 HA ARG A 34 5.757 -4.388 -7.531 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.428 -5.830 -7.675 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.865 -6.523 -7.290 1.00 0.50 H new ATOM 0 HG2 ARG A 34 6.087 -6.009 -9.605 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.674 -5.368 -9.982 1.00 0.66 H new ATOM 0 HD2 ARG A 34 7.740 -7.586 -10.788 1.00 0.80 H new ATOM 0 HD3 ARG A 34 8.616 -7.654 -9.271 1.00 0.80 H new ATOM 0 HE ARG A 34 5.713 -8.310 -9.226 1.00 1.41 H new ATOM 0 HH11 ARG A 34 9.078 -9.391 -9.117 1.00 1.72 H new ATOM 0 HH12 ARG A 34 8.667 -10.966 -8.430 1.00 1.72 H new ATOM 0 HH21 ARG A 34 5.199 -10.337 -8.362 1.00 2.88 H new ATOM 0 HH22 ARG A 34 6.482 -11.499 -8.005 1.00 2.88 H new ATOM 506 N PHE A 35 6.506 -4.455 -5.095 1.00 0.36 N ATOM 507 CA PHE A 35 6.877 -4.275 -3.690 1.00 0.39 C ATOM 508 C PHE A 35 8.242 -4.898 -3.414 1.00 0.46 C ATOM 509 O PHE A 35 9.044 -4.356 -2.648 1.00 0.49 O ATOM 510 CB PHE A 35 5.828 -4.892 -2.761 1.00 0.45 C ATOM 511 CG PHE A 35 4.493 -4.201 -2.793 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.353 -2.908 -2.308 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.378 -4.845 -3.306 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.128 -2.274 -2.332 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.148 -4.214 -3.331 1.00 0.59 C ATOM 516 CZ PHE A 35 2.022 -2.927 -2.846 1.00 0.59 C ATOM 0 H PHE A 35 5.601 -4.903 -5.238 1.00 0.36 H new ATOM 0 HA PHE A 35 6.927 -3.204 -3.493 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.689 -5.939 -3.032 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.209 -4.875 -1.740 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.213 -2.392 -1.907 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.471 -5.850 -3.690 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.032 -1.268 -1.950 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.286 -4.728 -3.730 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.063 -2.432 -2.868 1.00 0.59 H new ATOM 526 N GLU A 36 8.493 -6.037 -4.057 1.00 0.59 N ATOM 527 CA GLU A 36 9.761 -6.756 -3.929 1.00 0.76 C ATOM 528 C GLU A 36 10.950 -5.859 -4.293 1.00 0.71 C ATOM 529 O GLU A 36 12.054 -6.023 -3.773 1.00 0.80 O ATOM 530 CB GLU A 36 9.768 -7.974 -4.860 1.00 1.00 C ATOM 531 CG GLU A 36 8.482 -8.789 -4.865 1.00 1.26 C ATOM 532 CD GLU A 36 8.182 -9.453 -3.536 1.00 1.89 C ATOM 533 OE1 GLU A 36 8.815 -10.483 -3.232 1.00 2.28 O ATOM 534 OE2 GLU A 36 7.335 -8.926 -2.780 1.00 2.60 O ATOM 0 H GLU A 36 7.824 -6.488 -4.681 1.00 0.59 H new ATOM 0 HA GLU A 36 9.857 -7.070 -2.890 1.00 0.76 H new ATOM 0 HB2 GLU A 36 9.969 -7.634 -5.876 1.00 1.00 H new ATOM 0 HB3 GLU A 36 10.593 -8.627 -4.573 1.00 1.00 H new ATOM 0 HG2 GLU A 36 7.650 -8.138 -5.133 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.549 -9.555 -5.638 1.00 1.26 H new ATOM 541 N ASP A 37 10.717 -4.915 -5.199 1.00 0.65 N ATOM 542 CA ASP A 37 11.793 -4.096 -5.752 1.00 0.74 C ATOM 543 C ASP A 37 11.994 -2.808 -4.968 1.00 0.66 C ATOM 544 O ASP A 37 13.093 -2.255 -4.955 1.00 0.75 O ATOM 545 CB ASP A 37 11.525 -3.768 -7.225 1.00 0.86 C ATOM 546 CG ASP A 37 11.618 -4.988 -8.115 1.00 1.28 C ATOM 547 OD1 ASP A 37 12.735 -5.533 -8.259 1.00 1.38 O ATOM 548 OD2 ASP A 37 10.583 -5.407 -8.670 1.00 2.03 O ATOM 0 H ASP A 37 9.791 -4.697 -5.567 1.00 0.65 H new ATOM 0 HA ASP A 37 12.708 -4.683 -5.673 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.533 -3.327 -7.321 1.00 0.86 H new ATOM 0 HB3 ASP A 37 12.241 -3.019 -7.564 1.00 0.86 H new ATOM 553 N ILE A 38 10.954 -2.340 -4.291 1.00 0.54 N ATOM 554 CA ILE A 38 11.041 -1.066 -3.582 1.00 0.54 C ATOM 555 C ILE A 38 11.589 -1.240 -2.163 1.00 0.50 C ATOM 556 O ILE A 38 11.396 -0.387 -1.301 1.00 0.55 O ATOM 557 CB ILE A 38 9.687 -0.320 -3.539 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.581 -1.220 -2.981 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.322 0.190 -4.928 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.249 -0.518 -2.825 1.00 0.57 C ATOM 0 H ILE A 38 10.053 -2.813 -4.216 1.00 0.54 H new ATOM 0 HA ILE A 38 11.741 -0.455 -4.151 1.00 0.54 H new ATOM 0 HB ILE A 38 9.787 0.535 -2.871 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.455 -2.078 -3.641 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.894 -1.607 -2.011 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.367 0.713 -4.884 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.095 0.874 -5.279 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.243 -0.652 -5.616 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.514 -1.217 -2.425 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.359 0.324 -2.141 1.00 0.57 H new ATOM 0 HD13 ILE A 38 6.913 -0.155 -3.796 1.00 0.57 H new ATOM 572 N GLY A 39 12.301 -2.341 -1.946 1.00 0.53 N ATOM 573 CA GLY A 39 13.005 -2.548 -0.693 1.00 0.58 C ATOM 574 C GLY A 39 12.104 -2.935 0.468 1.00 0.51 C ATOM 575 O GLY A 39 12.513 -2.842 1.626 1.00 0.62 O ATOM 0 H GLY A 39 12.403 -3.099 -2.621 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.754 -3.328 -0.834 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.541 -1.635 -0.434 1.00 0.58 H new ATOM 579 N TYR A 40 10.891 -3.378 0.180 1.00 0.47 N ATOM 580 CA TYR A 40 9.968 -3.776 1.229 1.00 0.47 C ATOM 581 C TYR A 40 9.805 -5.287 1.268 1.00 0.55 C ATOM 582 O TYR A 40 9.319 -5.897 0.318 1.00 0.71 O ATOM 583 CB TYR A 40 8.611 -3.089 1.048 1.00 0.47 C ATOM 584 CG TYR A 40 8.619 -1.642 1.475 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.437 -1.298 2.806 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.818 -0.622 0.555 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.453 0.021 3.210 1.00 0.53 C ATOM 588 CE2 TYR A 40 8.840 0.699 0.948 1.00 0.52 C ATOM 589 CZ TYR A 40 8.654 1.017 2.277 1.00 0.53 C ATOM 590 OH TYR A 40 8.681 2.334 2.673 1.00 0.61 O ATOM 0 H TYR A 40 10.524 -3.471 -0.767 1.00 0.47 H new ATOM 0 HA TYR A 40 10.387 -3.458 2.184 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.316 -3.151 0.001 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.858 -3.627 1.624 1.00 0.47 H new ATOM 0 HD1 TYR A 40 8.280 -2.076 3.539 1.00 0.49 H new ATOM 0 HD2 TYR A 40 8.958 -0.868 -0.487 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.309 0.272 4.250 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.002 1.480 0.220 1.00 0.52 H new ATOM 0 HH TYR A 40 9.064 2.883 1.957 1.00 0.61 H new ATOM 600 N ASP A 41 10.238 -5.883 2.372 1.00 0.58 N ATOM 601 CA ASP A 41 10.117 -7.322 2.566 1.00 0.71 C ATOM 602 C ASP A 41 8.673 -7.688 2.851 1.00 0.66 C ATOM 603 O ASP A 41 7.880 -6.830 3.243 1.00 0.93 O ATOM 604 CB ASP A 41 10.990 -7.792 3.733 1.00 0.89 C ATOM 605 CG ASP A 41 12.464 -7.535 3.514 1.00 1.40 C ATOM 606 OD1 ASP A 41 13.087 -8.257 2.709 1.00 1.82 O ATOM 607 OD2 ASP A 41 13.008 -6.612 4.153 1.00 1.93 O ATOM 0 H ASP A 41 10.678 -5.390 3.149 1.00 0.58 H new ATOM 0 HA ASP A 41 10.451 -7.813 1.652 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.671 -7.286 4.644 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.833 -8.859 3.889 1.00 0.89 H new ATOM 612 N SER A 42 8.344 -8.959 2.672 1.00 0.63 N ATOM 613 CA SER A 42 7.001 -9.464 2.926 1.00 0.63 C ATOM 614 C SER A 42 6.486 -9.053 4.308 1.00 0.54 C ATOM 615 O SER A 42 5.333 -8.639 4.452 1.00 0.50 O ATOM 616 CB SER A 42 6.992 -10.984 2.793 1.00 0.77 C ATOM 617 OG SER A 42 8.363 -11.495 2.764 1.00 0.91 O ATOM 0 H SER A 42 9.000 -9.670 2.347 1.00 0.63 H new ATOM 0 HA SER A 42 6.332 -9.024 2.186 1.00 0.63 H new ATOM 0 HB2 SER A 42 6.448 -11.427 3.628 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.468 -11.274 1.882 1.00 0.77 H new ATOM 622 N LEU A 43 7.346 -9.174 5.315 1.00 0.57 N ATOM 623 CA LEU A 43 7.010 -8.775 6.673 1.00 0.57 C ATOM 624 C LEU A 43 6.598 -7.305 6.722 1.00 0.48 C ATOM 625 O LEU A 43 5.482 -6.983 7.122 1.00 0.49 O ATOM 626 CB LEU A 43 8.207 -9.019 7.598 1.00 0.68 C ATOM 627 CG LEU A 43 7.993 -8.646 9.069 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.898 -9.499 9.687 1.00 0.90 C ATOM 629 CD2 LEU A 43 9.291 -8.796 9.850 1.00 1.32 C ATOM 0 H LEU A 43 8.289 -9.549 5.211 1.00 0.57 H new ATOM 0 HA LEU A 43 6.166 -9.376 7.011 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.476 -10.074 7.545 1.00 0.68 H new ATOM 0 HB3 LEU A 43 9.058 -8.454 7.218 1.00 0.68 H new ATOM 0 HG LEU A 43 7.679 -7.603 9.115 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.763 -9.217 10.731 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.965 -9.342 9.145 1.00 0.90 H new ATOM 0 HD13 LEU A 43 7.179 -10.550 9.628 1.00 0.90 H new ATOM 0 HD21 LEU A 43 9.121 -8.527 10.893 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.633 -9.829 9.793 1.00 1.32 H new ATOM 0 HD23 LEU A 43 10.050 -8.139 9.425 1.00 1.32 H new ATOM 641 N ALA A 44 7.491 -6.428 6.275 1.00 0.44 N ATOM 642 CA ALA A 44 7.244 -4.989 6.307 1.00 0.41 C ATOM 643 C ALA A 44 6.047 -4.614 5.432 1.00 0.34 C ATOM 644 O ALA A 44 5.346 -3.631 5.694 1.00 0.36 O ATOM 645 CB ALA A 44 8.487 -4.237 5.859 1.00 0.47 C ATOM 0 H ALA A 44 8.396 -6.689 5.885 1.00 0.44 H new ATOM 0 HA ALA A 44 7.008 -4.706 7.333 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.293 -3.165 5.886 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.315 -4.473 6.527 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.745 -4.533 4.842 1.00 0.47 H new ATOM 651 N LEU A 45 5.814 -5.409 4.395 1.00 0.35 N ATOM 652 CA LEU A 45 4.696 -5.195 3.494 1.00 0.35 C ATOM 653 C LEU A 45 3.368 -5.377 4.226 1.00 0.34 C ATOM 654 O LEU A 45 2.507 -4.498 4.180 1.00 0.36 O ATOM 655 CB LEU A 45 4.792 -6.155 2.303 1.00 0.43 C ATOM 656 CG LEU A 45 3.646 -6.079 1.293 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.515 -4.672 0.729 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.863 -7.082 0.170 1.00 0.74 C ATOM 0 H LEU A 45 6.393 -6.215 4.158 1.00 0.35 H new ATOM 0 HA LEU A 45 4.738 -4.171 3.124 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.727 -5.960 1.778 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.847 -7.174 2.686 1.00 0.43 H new ATOM 0 HG LEU A 45 2.719 -6.327 1.809 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.694 -4.642 0.013 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.315 -3.972 1.540 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.442 -4.393 0.229 1.00 0.75 H new ATOM 0 HD21 LEU A 45 3.039 -7.016 -0.541 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.801 -6.860 -0.340 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.905 -8.089 0.585 1.00 0.74 H new ATOM 670 N MET A 46 3.212 -6.498 4.930 1.00 0.36 N ATOM 671 CA MET A 46 1.959 -6.776 5.626 1.00 0.40 C ATOM 672 C MET A 46 1.802 -5.883 6.858 1.00 0.37 C ATOM 673 O MET A 46 0.685 -5.634 7.309 1.00 0.41 O ATOM 674 CB MET A 46 1.843 -8.253 6.025 1.00 0.49 C ATOM 675 CG MET A 46 2.768 -8.680 7.153 1.00 0.52 C ATOM 676 SD MET A 46 2.343 -10.304 7.809 1.00 1.21 S ATOM 677 CE MET A 46 3.496 -10.430 9.172 1.00 1.26 C ATOM 0 H MET A 46 3.927 -7.218 5.032 1.00 0.36 H new ATOM 0 HA MET A 46 1.152 -6.552 4.928 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.814 -8.456 6.321 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.050 -8.869 5.150 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.796 -8.695 6.791 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.723 -7.943 7.955 1.00 0.52 H new ATOM 0 HE1 MET A 46 3.068 -11.058 9.954 1.00 1.26 H new ATOM 0 HE2 MET A 46 4.428 -10.873 8.820 1.00 1.26 H new ATOM 0 HE3 MET A 46 3.695 -9.436 9.573 1.00 1.26 H new ATOM 687 N GLU A 47 2.923 -5.406 7.394 1.00 0.37 N ATOM 688 CA GLU A 47 2.902 -4.459 8.507 1.00 0.42 C ATOM 689 C GLU A 47 2.225 -3.164 8.063 1.00 0.41 C ATOM 690 O GLU A 47 1.364 -2.614 8.756 1.00 0.47 O ATOM 691 CB GLU A 47 4.332 -4.156 8.982 1.00 0.48 C ATOM 692 CG GLU A 47 5.053 -5.345 9.600 1.00 0.62 C ATOM 693 CD GLU A 47 4.555 -5.676 10.989 1.00 1.21 C ATOM 694 OE1 GLU A 47 3.562 -6.417 11.115 1.00 2.20 O ATOM 695 OE2 GLU A 47 5.173 -5.206 11.968 1.00 1.18 O ATOM 0 H GLU A 47 3.858 -5.660 7.076 1.00 0.37 H new ATOM 0 HA GLU A 47 2.345 -4.900 9.333 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.914 -3.793 8.135 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.296 -3.348 9.713 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.926 -6.216 8.957 1.00 0.62 H new ATOM 0 HG3 GLU A 47 6.121 -5.134 9.643 1.00 0.62 H new ATOM 702 N THR A 48 2.618 -2.696 6.888 1.00 0.37 N ATOM 703 CA THR A 48 2.078 -1.472 6.318 1.00 0.42 C ATOM 704 C THR A 48 0.577 -1.596 6.035 1.00 0.40 C ATOM 705 O THR A 48 -0.158 -0.608 6.089 1.00 0.43 O ATOM 706 CB THR A 48 2.826 -1.103 5.025 1.00 0.45 C ATOM 707 OG1 THR A 48 4.239 -1.050 5.287 1.00 0.47 O ATOM 708 CG2 THR A 48 2.360 0.238 4.485 1.00 0.54 C ATOM 0 H THR A 48 3.319 -3.153 6.304 1.00 0.37 H new ATOM 0 HA THR A 48 2.220 -0.679 7.053 1.00 0.42 H new ATOM 0 HB THR A 48 2.613 -1.866 4.276 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.581 -1.958 5.423 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.906 0.472 3.571 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.293 0.192 4.268 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.546 1.014 5.228 1.00 0.54 H new ATOM 716 N ALA A 49 0.128 -2.811 5.754 1.00 0.40 N ATOM 717 CA ALA A 49 -1.276 -3.066 5.449 1.00 0.39 C ATOM 718 C ALA A 49 -2.183 -2.611 6.585 1.00 0.34 C ATOM 719 O ALA A 49 -3.232 -2.004 6.354 1.00 0.33 O ATOM 720 CB ALA A 49 -1.492 -4.542 5.174 1.00 0.46 C ATOM 0 H ALA A 49 0.719 -3.642 5.730 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.534 -2.491 4.559 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.543 -4.720 4.948 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -0.881 -4.847 4.324 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.207 -5.121 6.052 1.00 0.46 H new ATOM 726 N ALA A 50 -1.754 -2.886 7.811 1.00 0.37 N ATOM 727 CA ALA A 50 -2.536 -2.568 8.994 1.00 0.40 C ATOM 728 C ALA A 50 -2.753 -1.070 9.111 1.00 0.39 C ATOM 729 O ALA A 50 -3.770 -0.612 9.635 1.00 0.44 O ATOM 730 CB ALA A 50 -1.849 -3.105 10.238 1.00 0.49 C ATOM 0 H ALA A 50 -0.859 -3.333 8.010 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.511 -3.045 8.900 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.445 -2.860 11.117 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.747 -4.187 10.159 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.861 -2.653 10.332 1.00 0.49 H new ATOM 736 N ARG A 51 -1.798 -0.311 8.591 1.00 0.37 N ATOM 737 CA ARG A 51 -1.840 1.139 8.681 1.00 0.44 C ATOM 738 C ARG A 51 -2.918 1.699 7.759 1.00 0.40 C ATOM 739 O ARG A 51 -3.597 2.662 8.102 1.00 0.52 O ATOM 740 CB ARG A 51 -0.481 1.738 8.322 1.00 0.52 C ATOM 741 CG ARG A 51 0.688 1.107 9.065 1.00 0.68 C ATOM 742 CD ARG A 51 0.521 1.179 10.575 1.00 0.95 C ATOM 743 NE ARG A 51 0.525 2.555 11.079 1.00 1.47 N ATOM 744 CZ ARG A 51 1.305 2.975 12.082 1.00 1.90 C ATOM 745 NH1 ARG A 51 2.206 2.157 12.614 1.00 1.94 N ATOM 746 NH2 ARG A 51 1.200 4.221 12.530 1.00 2.86 N ATOM 0 H ARG A 51 -0.983 -0.679 8.101 1.00 0.37 H new ATOM 0 HA ARG A 51 -2.081 1.411 9.709 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.319 1.628 7.250 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.499 2.807 8.534 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.787 0.065 8.762 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.611 1.611 8.780 1.00 0.68 H new ATOM 0 HD2 ARG A 51 -0.415 0.696 10.856 1.00 0.95 H new ATOM 0 HD3 ARG A 51 1.325 0.619 11.053 1.00 0.95 H new ATOM 0 HE ARG A 51 -0.102 3.230 10.641 1.00 1.47 H new ATOM 0 HH11 ARG A 51 2.305 1.206 12.258 1.00 1.94 H new ATOM 0 HH12 ARG A 51 2.799 2.480 13.378 1.00 1.94 H new ATOM 0 HH21 ARG A 51 0.524 4.859 12.109 1.00 2.86 H new ATOM 0 HH22 ARG A 51 1.795 4.540 13.295 1.00 2.86 H new ATOM 760 N LEU A 52 -3.081 1.076 6.595 1.00 0.32 N ATOM 761 CA LEU A 52 -4.102 1.503 5.640 1.00 0.31 C ATOM 762 C LEU A 52 -5.491 1.227 6.200 1.00 0.27 C ATOM 763 O LEU A 52 -6.370 2.091 6.171 1.00 0.30 O ATOM 764 CB LEU A 52 -3.937 0.777 4.304 1.00 0.35 C ATOM 765 CG LEU A 52 -2.562 0.914 3.648 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.445 -0.025 2.457 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.327 2.352 3.217 1.00 0.56 C ATOM 0 H LEU A 52 -2.523 0.278 6.290 1.00 0.32 H new ATOM 0 HA LEU A 52 -3.983 2.574 5.473 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.144 -0.282 4.458 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.690 1.151 3.611 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.799 0.640 4.377 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.461 0.085 2.002 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.577 -1.054 2.791 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.213 0.220 1.724 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.345 2.436 2.752 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.094 2.647 2.501 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.373 3.005 4.088 1.00 0.56 H new ATOM 779 N GLU A 53 -5.670 0.016 6.720 1.00 0.25 N ATOM 780 CA GLU A 53 -6.942 -0.392 7.305 1.00 0.26 C ATOM 781 C GLU A 53 -7.321 0.532 8.455 1.00 0.30 C ATOM 782 O GLU A 53 -8.445 1.022 8.522 1.00 0.36 O ATOM 783 CB GLU A 53 -6.865 -1.835 7.806 1.00 0.27 C ATOM 784 CG GLU A 53 -6.620 -2.857 6.705 1.00 0.32 C ATOM 785 CD GLU A 53 -6.508 -4.271 7.243 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.594 -4.530 8.055 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.342 -5.122 6.870 1.00 0.48 O ATOM 0 H GLU A 53 -4.946 -0.702 6.748 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.707 -0.327 6.531 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -6.066 -1.911 8.544 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.795 -2.082 8.317 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.434 -2.810 5.982 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.705 -2.600 6.172 1.00 0.32 H new ATOM 794 N SER A 54 -6.369 0.785 9.342 1.00 0.36 N ATOM 795 CA SER A 54 -6.600 1.651 10.491 1.00 0.46 C ATOM 796 C SER A 54 -6.873 3.100 10.064 1.00 0.43 C ATOM 797 O SER A 54 -7.619 3.822 10.726 1.00 0.53 O ATOM 798 CB SER A 54 -5.392 1.597 11.428 1.00 0.59 C ATOM 799 OG SER A 54 -5.107 0.258 11.799 1.00 1.42 O ATOM 0 H SER A 54 -5.425 0.401 9.288 1.00 0.36 H new ATOM 0 HA SER A 54 -7.486 1.290 11.013 1.00 0.46 H new ATOM 0 HB2 SER A 54 -4.524 2.036 10.937 1.00 0.59 H new ATOM 0 HB3 SER A 54 -5.589 2.193 12.319 1.00 0.59 H new ATOM 0 HG SER A 54 -4.517 -0.148 11.130 1.00 1.42 H new ATOM 805 N ARG A 55 -6.276 3.508 8.949 1.00 0.37 N ATOM 806 CA ARG A 55 -6.403 4.881 8.465 1.00 0.40 C ATOM 807 C ARG A 55 -7.810 5.129 7.921 1.00 0.40 C ATOM 808 O ARG A 55 -8.490 6.069 8.333 1.00 0.47 O ATOM 809 CB ARG A 55 -5.348 5.144 7.372 1.00 0.47 C ATOM 810 CG ARG A 55 -5.083 6.618 7.058 1.00 0.66 C ATOM 811 CD ARG A 55 -6.235 7.276 6.315 1.00 0.87 C ATOM 812 NE ARG A 55 -5.793 8.415 5.509 1.00 1.14 N ATOM 813 CZ ARG A 55 -6.616 9.310 4.955 1.00 1.64 C ATOM 814 NH1 ARG A 55 -7.920 9.264 5.189 1.00 1.89 N ATOM 815 NH2 ARG A 55 -6.131 10.258 4.168 1.00 2.42 N ATOM 0 H ARG A 55 -5.698 2.907 8.361 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.234 5.567 9.295 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.410 4.681 7.677 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.666 4.646 6.456 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -4.901 7.156 7.988 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -4.176 6.700 6.459 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -6.716 6.541 5.670 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -6.985 7.610 7.032 1.00 0.87 H new ATOM 0 HE ARG A 55 -4.791 8.533 5.360 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -8.304 8.541 5.797 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -8.540 9.952 4.761 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -5.129 10.305 3.984 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -6.760 10.941 3.745 1.00 2.42 H new ATOM 829 N TYR A 56 -8.242 4.280 6.998 1.00 0.38 N ATOM 830 CA TYR A 56 -9.500 4.495 6.287 1.00 0.46 C ATOM 831 C TYR A 56 -10.667 3.772 6.952 1.00 0.51 C ATOM 832 O TYR A 56 -11.822 3.976 6.580 1.00 0.71 O ATOM 833 CB TYR A 56 -9.366 4.031 4.835 1.00 0.52 C ATOM 834 CG TYR A 56 -8.252 4.724 4.082 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.426 6.004 3.573 1.00 0.70 C ATOM 836 CD2 TYR A 56 -7.021 4.106 3.898 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.407 6.646 2.898 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.998 4.742 3.227 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.197 6.012 2.730 1.00 0.91 C ATOM 840 OH TYR A 56 -5.178 6.650 2.066 1.00 1.08 O ATOM 0 H TYR A 56 -7.741 3.435 6.722 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.712 5.564 6.317 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -9.190 2.955 4.820 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.309 4.207 4.317 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.373 6.505 3.707 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.863 3.111 4.287 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -7.559 7.640 2.504 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.047 4.248 3.092 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.258 7.618 2.197 1.00 1.08 H new ATOM 850 N GLY A 57 -10.368 2.934 7.930 1.00 0.41 N ATOM 851 CA GLY A 57 -11.407 2.148 8.563 1.00 0.46 C ATOM 852 C GLY A 57 -11.843 1.005 7.676 1.00 0.43 C ATOM 853 O GLY A 57 -13.015 0.640 7.643 1.00 0.58 O ATOM 0 H GLY A 57 -9.428 2.783 8.297 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.043 1.756 9.513 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.263 2.785 8.788 1.00 0.46 H new ATOM 857 N VAL A 58 -10.887 0.456 6.940 1.00 0.32 N ATOM 858 CA VAL A 58 -11.167 -0.602 5.986 1.00 0.33 C ATOM 859 C VAL A 58 -10.547 -1.914 6.435 1.00 0.33 C ATOM 860 O VAL A 58 -10.005 -2.016 7.535 1.00 0.34 O ATOM 861 CB VAL A 58 -10.631 -0.260 4.574 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.209 1.050 4.071 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.109 -0.201 4.565 1.00 0.30 C ATOM 0 H VAL A 58 -9.906 0.730 6.988 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.252 -0.700 5.939 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.950 -1.057 3.902 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.815 1.264 3.078 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.295 0.973 4.022 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.933 1.855 4.752 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.760 0.041 3.561 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.770 0.566 5.261 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.706 -1.168 4.866 1.00 0.30 H new ATOM 873 N SER A 59 -10.635 -2.910 5.572 1.00 0.39 N ATOM 874 CA SER A 59 -9.918 -4.155 5.758 1.00 0.49 C ATOM 875 C SER A 59 -9.532 -4.712 4.394 1.00 0.48 C ATOM 876 O SER A 59 -10.320 -4.658 3.445 1.00 0.51 O ATOM 877 CB SER A 59 -10.761 -5.169 6.539 1.00 0.65 C ATOM 878 OG SER A 59 -9.961 -6.240 7.013 1.00 1.62 O ATOM 0 H SER A 59 -11.204 -2.877 4.726 1.00 0.39 H new ATOM 0 HA SER A 59 -9.018 -3.964 6.343 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.246 -4.673 7.380 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.553 -5.558 5.899 1.00 0.65 H new ATOM 0 HG SER A 59 -9.019 -5.971 7.009 1.00 1.62 H new ATOM 884 N ILE A 60 -8.316 -5.219 4.293 1.00 0.46 N ATOM 885 CA ILE A 60 -7.809 -5.732 3.031 1.00 0.46 C ATOM 886 C ILE A 60 -8.122 -7.218 2.907 1.00 0.54 C ATOM 887 O ILE A 60 -7.690 -8.020 3.734 1.00 0.60 O ATOM 888 CB ILE A 60 -6.286 -5.506 2.907 1.00 0.44 C ATOM 889 CG1 ILE A 60 -5.965 -4.012 3.041 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.769 -6.049 1.578 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.487 -3.699 3.008 1.00 0.45 C ATOM 0 H ILE A 60 -7.660 -5.287 5.071 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.302 -5.189 2.225 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.785 -6.045 3.711 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.459 -3.470 2.235 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.384 -3.643 3.977 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.694 -5.880 1.509 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.973 -7.118 1.518 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.270 -5.537 0.756 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.341 -2.624 3.108 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -3.988 -4.211 3.831 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.065 -4.036 2.061 1.00 0.45 H new ATOM 903 N PRO A 61 -8.903 -7.599 1.880 1.00 0.59 N ATOM 904 CA PRO A 61 -9.279 -8.995 1.647 1.00 0.69 C ATOM 905 C PRO A 61 -8.068 -9.920 1.596 1.00 0.62 C ATOM 906 O PRO A 61 -7.187 -9.762 0.752 1.00 0.57 O ATOM 907 CB PRO A 61 -9.987 -8.957 0.292 1.00 0.81 C ATOM 908 CG PRO A 61 -10.496 -7.563 0.172 1.00 0.79 C ATOM 909 CD PRO A 61 -9.491 -6.694 0.878 1.00 0.62 C ATOM 0 HA PRO A 61 -9.901 -9.388 2.451 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.302 -9.200 -0.520 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.801 -9.681 0.250 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.597 -7.273 -0.874 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.482 -7.467 0.626 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.737 -6.311 0.190 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.964 -5.830 1.345 1.00 0.62 H new ATOM 917 N ASP A 62 -8.057 -10.893 2.498 1.00 0.76 N ATOM 918 CA ASP A 62 -6.932 -11.814 2.665 1.00 0.82 C ATOM 919 C ASP A 62 -6.593 -12.556 1.375 1.00 0.67 C ATOM 920 O ASP A 62 -5.421 -12.753 1.057 1.00 0.77 O ATOM 921 CB ASP A 62 -7.256 -12.821 3.772 1.00 1.11 C ATOM 922 CG ASP A 62 -8.593 -13.505 3.552 1.00 1.39 C ATOM 923 OD1 ASP A 62 -9.638 -12.854 3.778 1.00 1.96 O ATOM 924 OD2 ASP A 62 -8.614 -14.682 3.138 1.00 1.99 O ATOM 0 H ASP A 62 -8.830 -11.069 3.139 1.00 0.76 H new ATOM 0 HA ASP A 62 -6.059 -11.221 2.937 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -6.468 -13.573 3.818 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -7.266 -12.310 4.735 1.00 1.11 H new ATOM 929 N ASP A 63 -7.610 -12.939 0.621 1.00 0.66 N ATOM 930 CA ASP A 63 -7.400 -13.706 -0.600 1.00 0.71 C ATOM 931 C ASP A 63 -6.958 -12.790 -1.736 1.00 0.58 C ATOM 932 O ASP A 63 -6.072 -13.126 -2.522 1.00 0.62 O ATOM 933 CB ASP A 63 -8.692 -14.432 -0.987 1.00 0.96 C ATOM 934 CG ASP A 63 -8.550 -15.275 -2.242 1.00 1.67 C ATOM 935 OD1 ASP A 63 -8.597 -14.707 -3.353 1.00 2.44 O ATOM 936 OD2 ASP A 63 -8.373 -16.502 -2.115 1.00 2.03 O ATOM 0 H ASP A 63 -8.587 -12.733 0.830 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.615 -14.441 -0.420 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -9.004 -15.071 -0.161 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -9.483 -13.697 -1.138 1.00 0.96 H new ATOM 941 N VAL A 64 -7.564 -11.615 -1.801 1.00 0.57 N ATOM 942 CA VAL A 64 -7.291 -10.678 -2.883 1.00 0.58 C ATOM 943 C VAL A 64 -5.948 -9.975 -2.691 1.00 0.53 C ATOM 944 O VAL A 64 -5.310 -9.568 -3.661 1.00 0.59 O ATOM 945 CB VAL A 64 -8.411 -9.625 -3.013 1.00 0.73 C ATOM 946 CG1 VAL A 64 -8.215 -8.769 -4.261 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.771 -10.307 -3.036 1.00 1.14 C ATOM 0 H VAL A 64 -8.248 -11.286 -1.119 1.00 0.57 H new ATOM 0 HA VAL A 64 -7.251 -11.263 -3.802 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.365 -8.965 -2.146 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -9.018 -8.035 -4.329 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.256 -8.254 -4.202 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -8.230 -9.406 -5.145 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.554 -9.554 -3.128 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.822 -10.989 -3.885 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.913 -10.867 -2.112 1.00 1.14 H new ATOM 957 N ALA A 65 -5.516 -9.848 -1.441 1.00 0.52 N ATOM 958 CA ALA A 65 -4.247 -9.196 -1.128 1.00 0.58 C ATOM 959 C ALA A 65 -3.081 -9.933 -1.766 1.00 0.56 C ATOM 960 O ALA A 65 -2.135 -9.316 -2.252 1.00 0.68 O ATOM 961 CB ALA A 65 -4.054 -9.104 0.378 1.00 0.67 C ATOM 0 H ALA A 65 -6.026 -10.188 -0.626 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.276 -8.187 -1.540 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.104 -8.616 0.594 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.867 -8.524 0.814 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -4.052 -10.106 0.807 1.00 0.67 H new ATOM 967 N GLY A 66 -3.179 -11.253 -1.789 1.00 0.50 N ATOM 968 CA GLY A 66 -2.117 -12.075 -2.339 1.00 0.56 C ATOM 969 C GLY A 66 -2.146 -12.132 -3.856 1.00 0.58 C ATOM 970 O GLY A 66 -1.441 -12.936 -4.469 1.00 0.77 O ATOM 0 H GLY A 66 -3.980 -11.775 -1.434 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -1.154 -11.683 -2.013 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -2.202 -13.086 -1.940 1.00 0.56 H new ATOM 974 N ARG A 67 -2.975 -11.293 -4.463 1.00 0.55 N ATOM 975 CA ARG A 67 -3.083 -11.240 -5.912 1.00 0.63 C ATOM 976 C ARG A 67 -2.290 -10.060 -6.473 1.00 0.58 C ATOM 977 O ARG A 67 -2.001 -10.011 -7.666 1.00 0.78 O ATOM 978 CB ARG A 67 -4.548 -11.120 -6.346 1.00 0.77 C ATOM 979 CG ARG A 67 -5.447 -12.226 -5.816 1.00 0.93 C ATOM 980 CD ARG A 67 -6.876 -12.048 -6.303 1.00 1.10 C ATOM 981 NE ARG A 67 -7.800 -13.007 -5.701 1.00 1.82 N ATOM 982 CZ ARG A 67 -9.005 -13.292 -6.200 1.00 2.63 C ATOM 983 NH1 ARG A 67 -9.425 -12.700 -7.314 1.00 2.86 N ATOM 984 NH2 ARG A 67 -9.794 -14.152 -5.575 1.00 3.63 N ATOM 0 H ARG A 67 -3.584 -10.639 -3.971 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.669 -12.168 -6.307 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.937 -10.159 -6.011 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -4.594 -11.120 -7.435 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -5.067 -13.195 -6.140 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -5.428 -12.224 -4.726 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -7.210 -11.036 -6.075 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -6.902 -12.156 -7.387 1.00 1.10 H new ATOM 0 HE ARG A 67 -7.507 -13.487 -4.850 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -8.826 -12.026 -7.790 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -10.346 -12.920 -7.692 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -9.481 -14.597 -4.712 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -10.715 -14.370 -5.956 1.00 3.63 H new ATOM 998 N VAL A 68 -1.938 -9.108 -5.610 1.00 0.50 N ATOM 999 CA VAL A 68 -1.236 -7.908 -6.060 1.00 0.48 C ATOM 1000 C VAL A 68 0.271 -8.046 -5.879 1.00 0.54 C ATOM 1001 O VAL A 68 0.742 -8.887 -5.110 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.713 -6.632 -5.328 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.217 -6.457 -5.479 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.314 -6.664 -3.856 1.00 0.89 C ATOM 0 H VAL A 68 -2.125 -9.143 -4.608 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.471 -7.806 -7.119 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.222 -5.774 -5.788 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.532 -5.554 -4.957 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.469 -6.372 -6.536 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.728 -7.320 -5.052 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.662 -5.755 -3.365 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.766 -7.532 -3.375 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.229 -6.728 -3.774 1.00 0.89 H new ATOM 1014 N ASP A 69 1.016 -7.232 -6.611 1.00 0.38 N ATOM 1015 CA ASP A 69 2.459 -7.161 -6.451 1.00 0.43 C ATOM 1016 C ASP A 69 2.943 -5.729 -6.640 1.00 0.34 C ATOM 1017 O ASP A 69 4.131 -5.437 -6.500 1.00 0.41 O ATOM 1018 CB ASP A 69 3.157 -8.083 -7.457 1.00 0.65 C ATOM 1019 CG ASP A 69 3.142 -7.552 -8.885 1.00 0.97 C ATOM 1020 OD1 ASP A 69 2.171 -6.859 -9.272 1.00 1.65 O ATOM 1021 OD2 ASP A 69 4.097 -7.851 -9.636 1.00 1.75 O ATOM 0 H ASP A 69 0.642 -6.608 -7.326 1.00 0.38 H new ATOM 0 HA ASP A 69 2.708 -7.489 -5.442 1.00 0.43 H new ATOM 0 HB2 ASP A 69 4.191 -8.231 -7.144 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.675 -9.060 -7.437 1.00 0.65 H new ATOM 1026 N THR A 70 2.008 -4.837 -6.935 1.00 0.34 N ATOM 1027 CA THR A 70 2.340 -3.469 -7.280 1.00 0.31 C ATOM 1028 C THR A 70 1.421 -2.477 -6.566 1.00 0.28 C ATOM 1029 O THR A 70 0.207 -2.693 -6.479 1.00 0.28 O ATOM 1030 CB THR A 70 2.250 -3.271 -8.806 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.150 -4.028 -9.331 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.537 -3.707 -9.487 1.00 0.44 C ATOM 0 H THR A 70 1.009 -5.042 -6.941 1.00 0.34 H new ATOM 0 HA THR A 70 3.362 -3.277 -6.952 1.00 0.31 H new ATOM 0 HB THR A 70 2.094 -2.211 -9.004 1.00 0.39 H new ATOM 0 HG1 THR A 70 1.405 -4.972 -9.399 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.448 -3.557 -10.563 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.369 -3.115 -9.106 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.718 -4.762 -9.281 1.00 0.44 H new ATOM 1040 N PRO A 71 1.997 -1.383 -6.033 1.00 0.29 N ATOM 1041 CA PRO A 71 1.257 -0.322 -5.326 1.00 0.29 C ATOM 1042 C PRO A 71 0.053 0.205 -6.102 1.00 0.27 C ATOM 1043 O PRO A 71 -0.999 0.470 -5.520 1.00 0.28 O ATOM 1044 CB PRO A 71 2.298 0.785 -5.194 1.00 0.34 C ATOM 1045 CG PRO A 71 3.590 0.058 -5.120 1.00 0.38 C ATOM 1046 CD PRO A 71 3.446 -1.104 -6.061 1.00 0.35 C ATOM 0 HA PRO A 71 0.844 -0.688 -4.386 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.270 1.463 -6.047 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.128 1.388 -4.302 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.420 0.701 -5.413 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.793 -0.281 -4.104 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.789 -0.854 -7.065 1.00 0.35 H new ATOM 0 HD3 PRO A 71 4.028 -1.964 -5.731 1.00 0.35 H new ATOM 1054 N ARG A 72 0.220 0.375 -7.411 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.841 0.910 -8.261 1.00 0.37 C ATOM 1056 C ARG A 72 -2.134 0.109 -8.105 1.00 0.35 C ATOM 1057 O ARG A 72 -3.194 0.667 -7.832 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.401 0.898 -9.723 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.293 1.727 -10.628 1.00 0.83 C ATOM 1060 CD ARG A 72 -0.755 1.780 -12.049 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.476 2.757 -12.855 1.00 1.76 N ATOM 1062 CZ ARG A 72 -1.058 3.217 -14.031 1.00 2.72 C ATOM 1063 NH1 ARG A 72 0.101 2.814 -14.539 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -1.789 4.104 -14.686 1.00 3.56 N ATOM 0 H ARG A 72 1.082 0.149 -7.907 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.034 1.936 -7.948 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.620 1.272 -9.790 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.388 -0.131 -10.082 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -2.298 1.305 -10.634 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -1.375 2.739 -10.231 1.00 0.83 H new ATOM 0 HD2 ARG A 72 0.305 2.034 -12.029 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -0.838 0.795 -12.508 1.00 1.15 H new ATOM 0 HE ARG A 72 -2.361 3.112 -12.493 1.00 1.76 H new ATOM 0 HH11 ARG A 72 0.678 2.147 -14.027 1.00 3.22 H new ATOM 0 HH12 ARG A 72 0.414 3.172 -15.441 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -2.669 4.432 -14.289 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -1.472 4.459 -15.588 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.025 -1.205 -8.257 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.182 -2.086 -8.156 1.00 0.39 C ATOM 1080 C GLU A 73 -3.768 -2.073 -6.751 1.00 0.36 C ATOM 1081 O GLU A 73 -4.973 -2.238 -6.571 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.799 -3.512 -8.545 1.00 0.47 C ATOM 1083 CG GLU A 73 -2.467 -3.668 -10.018 1.00 0.56 C ATOM 1084 CD GLU A 73 -3.645 -3.332 -10.906 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -4.598 -4.132 -10.969 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -3.621 -2.261 -11.554 1.00 2.43 O ATOM 0 H GLU A 73 -1.146 -1.685 -8.451 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.941 -1.717 -8.845 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.939 -3.824 -7.952 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.621 -4.182 -8.293 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -1.627 -3.021 -10.270 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -2.149 -4.693 -10.211 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.909 -1.872 -5.762 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.327 -1.835 -4.364 1.00 0.34 C ATOM 1095 C LEU A 74 -4.182 -0.591 -4.103 1.00 0.33 C ATOM 1096 O LEU A 74 -5.228 -0.666 -3.453 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.077 -1.863 -3.463 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.301 -2.151 -1.971 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.838 -0.927 -1.245 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.233 -3.343 -1.795 1.00 0.98 C ATOM 0 H LEU A 74 -1.909 -1.731 -5.902 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.939 -2.707 -4.134 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.393 -2.616 -3.855 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.574 -0.900 -3.551 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.337 -2.398 -1.526 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -2.986 -1.164 -0.191 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.125 -0.108 -1.336 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.789 -0.630 -1.687 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.382 -3.535 -0.732 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -4.193 -3.126 -2.263 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.791 -4.222 -2.264 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.737 0.542 -4.637 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.431 1.815 -4.469 1.00 0.33 C ATOM 1114 C LEU A 75 -5.862 1.725 -5.005 1.00 0.35 C ATOM 1115 O LEU A 75 -6.827 1.983 -4.278 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.646 2.930 -5.181 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.109 4.373 -4.917 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -2.970 5.342 -5.185 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -5.304 4.738 -5.788 1.00 0.91 C ATOM 0 H LEU A 75 -2.887 0.604 -5.197 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.489 2.051 -3.406 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.599 2.849 -4.890 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.693 2.748 -6.255 1.00 0.35 H new ATOM 0 HG LEU A 75 -4.411 4.442 -3.872 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.307 6.361 -4.995 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -2.132 5.109 -4.528 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -2.653 5.252 -6.224 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -5.607 5.764 -5.578 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -5.029 4.649 -6.839 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -6.132 4.063 -5.571 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.992 1.343 -6.273 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.298 1.253 -6.918 1.00 0.44 C ATOM 1133 C ASP A 76 -8.156 0.155 -6.296 1.00 0.40 C ATOM 1134 O ASP A 76 -9.385 0.234 -6.318 1.00 0.43 O ATOM 1135 CB ASP A 76 -7.143 1.003 -8.421 1.00 0.55 C ATOM 1136 CG ASP A 76 -6.800 2.261 -9.200 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -7.724 3.001 -9.588 1.00 1.43 O ATOM 1138 OD2 ASP A 76 -5.598 2.514 -9.422 1.00 1.16 O ATOM 0 H ASP A 76 -5.208 1.091 -6.874 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.802 2.207 -6.765 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.363 0.259 -8.581 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -8.070 0.582 -8.811 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.509 -0.861 -5.732 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.223 -1.976 -5.114 1.00 0.38 C ATOM 1145 C LEU A 77 -9.036 -1.510 -3.908 1.00 0.34 C ATOM 1146 O LEU A 77 -10.239 -1.766 -3.824 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.233 -3.065 -4.685 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.857 -4.314 -4.057 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -8.736 -5.043 -5.067 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -6.772 -5.238 -3.528 1.00 1.66 C ATOM 0 H LEU A 77 -6.493 -0.936 -5.690 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.912 -2.385 -5.853 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.654 -3.369 -5.557 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.531 -2.633 -3.971 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.485 -4.003 -3.222 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.170 -5.927 -4.600 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -9.534 -4.380 -5.400 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.133 -5.344 -5.924 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.231 -6.122 -3.084 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.120 -5.540 -4.348 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.186 -4.715 -2.772 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.376 -0.818 -2.987 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.025 -0.361 -1.762 1.00 0.31 C ATOM 1164 C ILE A 78 -10.074 0.704 -2.074 1.00 0.34 C ATOM 1165 O ILE A 78 -11.196 0.657 -1.560 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.991 0.186 -0.748 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -6.985 -0.915 -0.389 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.687 0.702 0.507 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.932 -0.488 0.613 1.00 0.40 C ATOM 0 H ILE A 78 -7.392 -0.561 -3.064 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.521 -1.220 -1.310 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.458 1.020 -1.205 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.527 -1.771 0.013 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.489 -1.251 -1.300 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.942 1.082 1.206 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.374 1.504 0.238 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.243 -0.111 0.975 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.260 -1.323 0.813 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.361 0.348 0.207 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.416 -0.181 1.540 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.720 1.646 -2.942 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.640 2.717 -3.321 1.00 0.44 C ATOM 1183 C ASN A 79 -11.852 2.171 -4.064 1.00 0.44 C ATOM 1184 O ASN A 79 -12.950 2.712 -3.946 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.940 3.776 -4.172 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.159 4.762 -3.330 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.537 5.074 -2.201 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.071 5.266 -3.875 1.00 0.78 N ATOM 0 H ASN A 79 -8.807 1.691 -3.395 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.983 3.185 -2.398 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.266 3.287 -4.875 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.682 4.313 -4.763 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.508 5.941 -3.358 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -7.792 4.981 -4.814 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.654 1.095 -4.817 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.762 0.465 -5.506 1.00 0.47 C ATOM 1197 C GLY A 80 -13.809 -0.060 -4.536 1.00 0.48 C ATOM 1198 O GLY A 80 -15.009 -0.014 -4.814 1.00 0.54 O ATOM 0 H GLY A 80 -10.748 0.649 -4.962 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.223 1.183 -6.184 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.389 -0.357 -6.117 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.349 -0.550 -3.388 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.241 -1.035 -2.342 1.00 0.56 C ATOM 1204 C ALA A 81 -14.912 0.131 -1.619 1.00 0.61 C ATOM 1205 O ALA A 81 -16.041 0.019 -1.144 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.470 -1.907 -1.360 1.00 0.60 C ATOM 0 H ALA A 81 -12.358 -0.621 -3.159 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.023 -1.638 -2.804 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.145 -2.264 -0.583 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.042 -2.759 -1.888 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.670 -1.323 -0.905 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.209 1.251 -1.554 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.729 2.451 -0.906 1.00 0.64 C ATOM 1214 C LEU A 82 -15.821 3.095 -1.752 1.00 0.70 C ATOM 1215 O LEU A 82 -16.851 3.522 -1.231 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.593 3.445 -0.655 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.537 2.981 0.348 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.418 4.004 0.457 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.174 2.733 1.706 1.00 0.85 C ATOM 0 H LEU A 82 -13.272 1.357 -1.943 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.167 2.165 0.050 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -13.101 3.659 -1.604 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -14.022 4.382 -0.300 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.107 2.045 -0.007 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.676 3.656 1.176 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.947 4.133 -0.517 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.828 4.957 0.791 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.411 2.403 2.411 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.629 3.655 2.068 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.940 1.963 1.613 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.595 3.152 -3.061 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.577 3.699 -3.993 1.00 0.71 C ATOM 1233 C ALA A 83 -17.826 2.825 -4.045 1.00 0.85 C ATOM 1234 O ALA A 83 -18.901 3.277 -4.437 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.971 3.843 -5.380 1.00 0.70 C ATOM 0 H ALA A 83 -14.736 2.824 -3.503 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.869 4.687 -3.636 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.716 4.252 -6.062 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -15.114 4.514 -5.335 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.648 2.866 -5.739 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.673 1.571 -3.634 1.00 0.89 N ATOM 1242 CA GLU A 84 -18.778 0.620 -3.604 1.00 1.11 C ATOM 1243 C GLU A 84 -19.849 1.077 -2.608 1.00 1.29 C ATOM 1244 O GLU A 84 -21.027 0.727 -2.726 1.00 1.58 O ATOM 1245 CB GLU A 84 -18.247 -0.764 -3.216 1.00 1.25 C ATOM 1246 CG GLU A 84 -19.282 -1.874 -3.258 1.00 1.81 C ATOM 1247 CD GLU A 84 -19.761 -2.185 -4.660 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -18.931 -2.174 -5.594 1.00 2.39 O ATOM 1249 OE2 GLU A 84 -20.970 -2.455 -4.829 1.00 2.67 O ATOM 0 H GLU A 84 -16.784 1.187 -3.314 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.232 0.567 -4.593 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -17.427 -1.025 -3.885 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -17.832 -0.710 -2.209 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -18.857 -2.776 -2.817 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -20.136 -1.590 -2.643 1.00 1.81 H new ATOM 1256 N ALA A 85 -19.428 1.876 -1.639 1.00 1.27 N ATOM 1257 CA ALA A 85 -20.319 2.358 -0.599 1.00 1.57 C ATOM 1258 C ALA A 85 -20.518 3.871 -0.701 1.00 1.83 C ATOM 1259 O ALA A 85 -20.908 4.522 0.270 1.00 2.45 O ATOM 1260 CB ALA A 85 -19.770 1.987 0.770 1.00 1.74 C ATOM 0 H ALA A 85 -18.466 2.205 -1.553 1.00 1.27 H new ATOM 0 HA ALA A 85 -21.291 1.883 -0.734 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -20.445 2.353 1.544 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -19.684 0.903 0.846 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -18.787 2.439 0.903 1.00 1.74 H new ATOM 1266 N ALA A 86 -20.261 4.423 -1.881 1.00 2.09 N ATOM 1267 CA ALA A 86 -20.382 5.858 -2.087 1.00 2.63 C ATOM 1268 C ALA A 86 -21.583 6.169 -2.965 1.00 3.28 C ATOM 1269 O ALA A 86 -22.708 5.798 -2.577 1.00 3.73 O ATOM 1270 CB ALA A 86 -19.106 6.421 -2.702 1.00 3.12 C ATOM 1271 OXT ALA A 86 -21.403 6.804 -4.025 1.00 3.82 O ATOM 0 H ALA A 86 -19.969 3.899 -2.706 1.00 2.09 H new ATOM 0 HA ALA A 86 -20.532 6.334 -1.118 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -19.216 7.495 -2.848 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -18.265 6.230 -2.035 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -18.923 5.941 -3.663 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 9.022 -12.071 4.071 1.00 1.12 P HETATM 1279 O26 SXO A 87 9.283 -10.892 5.041 1.00 1.48 O HETATM 1280 O23 SXO A 87 10.225 -12.939 3.628 1.00 1.45 O HETATM 1281 O27 SXO A 87 7.952 -13.028 4.711 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.934 -12.456 5.596 1.00 1.02 C HETATM 1283 C29 SXO A 87 5.711 -13.370 5.701 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.669 -12.588 6.476 1.00 1.14 C HETATM 1285 C31 SXO A 87 5.182 -13.681 4.304 1.00 1.22 C HETATM 1286 C32 SXO A 87 6.055 -14.705 6.455 1.00 1.49 C HETATM 1287 O33 SXO A 87 7.350 -15.186 6.078 1.00 1.65 O HETATM 1288 C34 SXO A 87 5.014 -15.792 6.152 1.00 1.70 C HETATM 1289 O35 SXO A 87 5.360 -16.861 5.645 1.00 1.95 O HETATM 1290 N36 SXO A 87 3.754 -15.510 6.449 1.00 1.69 N HETATM 1291 C37 SXO A 87 2.631 -16.417 6.213 1.00 1.95 C HETATM 1292 C38 SXO A 87 1.824 -16.009 4.983 1.00 1.97 C HETATM 1293 C39 SXO A 87 1.398 -14.550 5.009 1.00 1.75 C HETATM 1294 O40 SXO A 87 1.365 -13.902 6.055 1.00 2.21 O HETATM 1295 N41 SXO A 87 1.082 -14.045 3.822 1.00 1.79 N HETATM 1296 C42 SXO A 87 0.655 -12.663 3.621 1.00 1.94 C HETATM 1297 C43 SXO A 87 0.685 -12.261 2.153 1.00 1.99 C HETATM 1298 S1 SXO A 87 0.438 -10.558 1.987 1.00 1.96 S HETATM 1299 C1 SXO A 87 0.536 -10.460 0.253 1.00 1.93 C HETATM 1300 O1 SXO A 87 0.524 -11.437 -0.498 1.00 2.52 O HETATM 1301 C2 SXO A 87 0.641 -9.044 -0.292 1.00 2.08 C HETATM 1302 C3 SXO A 87 -0.397 -8.109 0.302 1.00 1.81 C HETATM 1303 C4 SXO A 87 -0.323 -6.723 -0.317 1.00 1.94 C HETATM 1304 C5 SXO A 87 -1.365 -5.788 0.283 1.00 1.78 C HETATM 1305 C6 SXO A 87 -1.069 -5.457 1.742 1.00 1.64 C HETATM 1306 C7 SXO A 87 0.160 -4.570 1.884 1.00 1.79 C HETATM 1307 C8 SXO A 87 -0.078 -3.211 1.256 1.00 1.84 C HETATM 0 HO33 SXO A 87 7.674 -14.680 5.304 1.00 1.65 H new HETATM 0 HN41 SXO A 87 1.141 -14.655 3.007 1.00 1.79 H new HETATM 0 HN36 SXO A 87 3.554 -14.602 6.869 1.00 1.69 H new HETATM 0 H43A SXO A 87 1.642 -12.540 1.713 1.00 1.99 H new HETATM 0 H42A SXO A 87 -0.355 -12.536 4.010 1.00 1.94 H new HETATM 0 H38A SXO A 87 2.419 -16.192 4.088 1.00 1.97 H new HETATM 0 H37A SXO A 87 3.005 -17.433 6.082 1.00 1.95 H new HETATM 0 H31B SXO A 87 4.898 -12.753 3.807 1.00 1.22 H new HETATM 0 H31A SXO A 87 5.958 -14.180 3.724 1.00 1.22 H new HETATM 0 H30B SXO A 87 5.060 -12.339 7.463 1.00 1.14 H new HETATM 0 H30A SXO A 87 4.429 -11.670 5.939 1.00 1.14 H new HETATM 0 H28A SXO A 87 7.358 -12.298 6.587 1.00 1.02 H new HETATM 0 H8B SXO A 87 -0.300 -3.334 0.196 1.00 1.84 H new HETATM 0 H8A SXO A 87 -0.920 -2.725 1.749 1.00 1.84 H new HETATM 0 H8 SXO A 87 0.815 -2.596 1.371 1.00 1.84 H new HETATM 0 H7A SXO A 87 0.406 -4.449 2.939 1.00 1.79 H new HETATM 0 H7 SXO A 87 1.016 -5.049 1.409 1.00 1.79 H new HETATM 0 H6A SXO A 87 -1.931 -4.956 2.183 1.00 1.64 H new HETATM 0 H6 SXO A 87 -0.917 -6.381 2.300 1.00 1.64 H new HETATM 0 H5A SXO A 87 -1.400 -4.866 -0.297 1.00 1.78 H new HETATM 0 H5 SXO A 87 -2.350 -6.249 0.209 1.00 1.78 H new HETATM 0 H4A SXO A 87 0.673 -6.307 -0.163 1.00 1.94 H new HETATM 0 H43 SXO A 87 -0.087 -12.802 1.606 1.00 1.99 H new HETATM 0 H42 SXO A 87 1.303 -11.997 4.192 1.00 1.94 H new HETATM 0 H4 SXO A 87 -0.475 -6.796 -1.394 1.00 1.94 H new HETATM 0 H3A SXO A 87 -1.393 -8.524 0.147 1.00 1.81 H new HETATM 0 H38 SXO A 87 0.938 -16.639 4.911 1.00 1.97 H new HETATM 0 H37 SXO A 87 1.981 -16.427 7.088 1.00 1.95 H new HETATM 0 H32 SXO A 87 6.047 -14.484 7.522 1.00 1.49 H new HETATM 0 H31 SXO A 87 4.311 -14.332 4.381 1.00 1.22 H new HETATM 0 H30 SXO A 87 3.768 -13.191 6.584 1.00 1.14 H new HETATM 0 H3 SXO A 87 -0.247 -8.035 1.379 1.00 1.81 H new HETATM 0 H2A SXO A 87 1.637 -8.653 -0.085 1.00 2.08 H new HETATM 0 H28 SXO A 87 6.629 -11.479 5.220 1.00 1.02 H new HETATM 0 H2 SXO A 87 0.526 -9.067 -1.376 1.00 2.08 H new