USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.13) USER MOD Single : A 19 ASN : amide:sc= -0.61 K(o=-0.61,f=-1.4) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.135 K(o=-0.13,f=-5.1!) USER MOD Single : A 55 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.0061) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.38) USER MOD Single : A 74 HIS : no HD1:sc= -0.0135 X(o=-0.013,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 4.646 -4.261 -1.722 1.00 51.33 N ATOM 26 CA THR A 3 5.936 -4.611 -2.302 1.00 23.31 C ATOM 27 C THR A 3 6.836 -5.286 -1.273 1.00 2.21 C ATOM 28 O THR A 3 6.754 -4.997 -0.079 1.00 4.42 O ATOM 29 CB THR A 3 6.656 -3.370 -2.862 1.00 25.20 C ATOM 30 OG1 THR A 3 7.944 -3.738 -3.370 1.00 32.33 O ATOM 31 CG2 THR A 3 6.815 -2.306 -1.787 1.00 1.40 C ATOM 0 HA THR A 3 5.738 -5.305 -3.118 1.00 23.31 H new ATOM 0 HB THR A 3 6.051 -2.960 -3.670 1.00 25.20 H new ATOM 0 HG1 THR A 3 8.394 -2.944 -3.726 1.00 32.33 H new ATOM 0 HG21 THR A 3 7.326 -1.439 -2.206 1.00 1.40 H new ATOM 0 HG22 THR A 3 5.832 -2.007 -1.423 1.00 1.40 H new ATOM 0 HG23 THR A 3 7.401 -2.708 -0.961 1.00 1.40 H new ATOM 39 N ILE A 4 7.694 -6.185 -1.743 1.00 43.20 N ATOM 40 CA ILE A 4 8.611 -6.899 -0.863 1.00 12.43 C ATOM 41 C ILE A 4 9.389 -5.931 0.023 1.00 54.24 C ATOM 42 O ILE A 4 9.585 -6.182 1.212 1.00 64.44 O ATOM 43 CB ILE A 4 9.607 -7.757 -1.664 1.00 60.41 C ATOM 44 CG1 ILE A 4 8.858 -8.785 -2.515 1.00 65.21 C ATOM 45 CG2 ILE A 4 10.584 -8.449 -0.726 1.00 22.54 C ATOM 46 CD1 ILE A 4 7.961 -9.698 -1.709 1.00 62.44 C ATOM 0 H ILE A 4 7.773 -6.436 -2.728 1.00 43.20 H new ATOM 0 HA ILE A 4 8.003 -7.552 -0.237 1.00 12.43 H new ATOM 0 HB ILE A 4 10.173 -7.105 -2.329 1.00 60.41 H new ATOM 0 HG12 ILE A 4 8.256 -8.261 -3.258 1.00 65.21 H new ATOM 0 HG13 ILE A 4 9.582 -9.390 -3.061 1.00 65.21 H new ATOM 0 HG21 ILE A 4 11.282 -9.052 -1.307 1.00 22.54 H new ATOM 0 HG22 ILE A 4 11.137 -7.700 -0.159 1.00 22.54 H new ATOM 0 HG23 ILE A 4 10.035 -9.092 -0.038 1.00 22.54 H new ATOM 0 HD11 ILE A 4 7.462 -10.400 -2.377 1.00 62.44 H new ATOM 0 HD12 ILE A 4 8.560 -10.249 -0.984 1.00 62.44 H new ATOM 0 HD13 ILE A 4 7.214 -9.103 -1.184 1.00 62.44 H new ATOM 58 N ASP A 5 9.827 -4.823 -0.565 1.00 11.35 N ATOM 59 CA ASP A 5 10.581 -3.814 0.171 1.00 31.53 C ATOM 60 C ASP A 5 9.831 -3.385 1.428 1.00 13.22 C ATOM 61 O ASP A 5 10.441 -3.009 2.429 1.00 11.03 O ATOM 62 CB ASP A 5 10.851 -2.599 -0.717 1.00 75.23 C ATOM 63 CG ASP A 5 11.901 -2.877 -1.775 1.00 11.34 C ATOM 64 OD1 ASP A 5 11.836 -3.951 -2.407 1.00 60.30 O ATOM 65 OD2 ASP A 5 12.788 -2.020 -1.969 1.00 44.42 O ATOM 0 H ASP A 5 9.673 -4.601 -1.549 1.00 11.35 H new ATOM 0 HA ASP A 5 11.533 -4.254 0.470 1.00 31.53 H new ATOM 0 HB2 ASP A 5 9.924 -2.293 -1.201 1.00 75.23 H new ATOM 0 HB3 ASP A 5 11.177 -1.764 -0.096 1.00 75.23 H new ATOM 70 N ASP A 6 8.505 -3.442 1.368 1.00 31.02 N ATOM 71 CA ASP A 6 7.671 -3.059 2.501 1.00 11.24 C ATOM 72 C ASP A 6 7.907 -3.987 3.688 1.00 20.45 C ATOM 73 O ASP A 6 7.906 -3.552 4.839 1.00 30.15 O ATOM 74 CB ASP A 6 6.194 -3.082 2.106 1.00 53.02 C ATOM 75 CG ASP A 6 5.309 -2.402 3.132 1.00 32.31 C ATOM 76 OD1 ASP A 6 5.633 -1.265 3.535 1.00 34.44 O ATOM 77 OD2 ASP A 6 4.292 -3.007 3.531 1.00 11.14 O ATOM 0 H ASP A 6 7.985 -3.750 0.547 1.00 31.02 H new ATOM 0 HA ASP A 6 7.945 -2.046 2.795 1.00 11.24 H new ATOM 0 HB2 ASP A 6 6.071 -2.589 1.141 1.00 53.02 H new ATOM 0 HB3 ASP A 6 5.871 -4.115 1.980 1.00 53.02 H new ATOM 82 N ALA A 7 8.108 -5.269 3.400 1.00 61.02 N ATOM 83 CA ALA A 7 8.346 -6.259 4.443 1.00 43.20 C ATOM 84 C ALA A 7 9.614 -5.937 5.226 1.00 4.31 C ATOM 85 O ALA A 7 9.644 -6.048 6.452 1.00 43.01 O ATOM 86 CB ALA A 7 8.437 -7.652 3.838 1.00 52.11 C ATOM 0 H ALA A 7 8.111 -5.646 2.452 1.00 61.02 H new ATOM 0 HA ALA A 7 7.505 -6.230 5.136 1.00 43.20 H new ATOM 0 HB1 ALA A 7 8.615 -8.381 4.628 1.00 52.11 H new ATOM 0 HB2 ALA A 7 7.503 -7.889 3.329 1.00 52.11 H new ATOM 0 HB3 ALA A 7 9.259 -7.685 3.122 1.00 52.11 H new ATOM 92 N PHE A 8 10.661 -5.538 4.511 1.00 52.54 N ATOM 93 CA PHE A 8 11.933 -5.201 5.139 1.00 51.20 C ATOM 94 C PHE A 8 11.830 -3.885 5.905 1.00 51.03 C ATOM 95 O PHE A 8 12.493 -3.694 6.924 1.00 65.01 O ATOM 96 CB PHE A 8 13.037 -5.105 4.084 1.00 23.03 C ATOM 97 CG PHE A 8 13.040 -6.251 3.114 1.00 63.33 C ATOM 98 CD1 PHE A 8 12.899 -7.555 3.560 1.00 33.14 C ATOM 99 CD2 PHE A 8 13.185 -6.025 1.754 1.00 3.24 C ATOM 100 CE1 PHE A 8 12.901 -8.612 2.670 1.00 74.21 C ATOM 101 CE2 PHE A 8 13.188 -7.078 0.859 1.00 15.32 C ATOM 102 CZ PHE A 8 13.046 -8.373 1.318 1.00 63.15 C ATOM 0 H PHE A 8 10.653 -5.440 3.496 1.00 52.54 H new ATOM 0 HA PHE A 8 12.182 -5.993 5.845 1.00 51.20 H new ATOM 0 HB2 PHE A 8 12.921 -4.172 3.532 1.00 23.03 H new ATOM 0 HB3 PHE A 8 14.004 -5.061 4.585 1.00 23.03 H new ATOM 0 HD1 PHE A 8 12.786 -7.748 4.617 1.00 33.14 H new ATOM 0 HD2 PHE A 8 13.297 -5.014 1.390 1.00 3.24 H new ATOM 0 HE1 PHE A 8 12.789 -9.624 3.031 1.00 74.21 H new ATOM 0 HE2 PHE A 8 13.301 -6.889 -0.198 1.00 15.32 H new ATOM 0 HZ PHE A 8 13.048 -9.197 0.620 1.00 63.15 H new ATOM 112 N ARG A 9 10.994 -2.981 5.405 1.00 13.34 N ATOM 113 CA ARG A 9 10.805 -1.682 6.041 1.00 75.15 C ATOM 114 C ARG A 9 9.918 -1.805 7.276 1.00 34.21 C ATOM 115 O ARG A 9 10.074 -1.058 8.241 1.00 31.34 O ATOM 116 CB ARG A 9 10.186 -0.692 5.052 1.00 75.31 C ATOM 117 CG ARG A 9 11.143 -0.244 3.960 1.00 55.44 C ATOM 118 CD ARG A 9 10.445 0.636 2.934 1.00 14.34 C ATOM 119 NE ARG A 9 11.214 1.840 2.631 1.00 24.24 N ATOM 120 CZ ARG A 9 12.325 1.838 1.903 1.00 62.31 C ATOM 121 NH1 ARG A 9 12.793 0.701 1.405 1.00 2.51 N ATOM 122 NH2 ARG A 9 12.970 2.974 1.671 1.00 71.04 N ATOM 0 H ARG A 9 10.437 -3.124 4.562 1.00 13.34 H new ATOM 0 HA ARG A 9 11.782 -1.312 6.352 1.00 75.15 H new ATOM 0 HB2 ARG A 9 9.311 -1.151 4.591 1.00 75.31 H new ATOM 0 HB3 ARG A 9 9.836 0.184 5.598 1.00 75.31 H new ATOM 0 HG2 ARG A 9 11.974 0.303 4.405 1.00 55.44 H new ATOM 0 HG3 ARG A 9 11.566 -1.118 3.464 1.00 55.44 H new ATOM 0 HD2 ARG A 9 10.286 0.068 2.018 1.00 14.34 H new ATOM 0 HD3 ARG A 9 9.461 0.919 3.309 1.00 14.34 H new ATOM 0 HE ARG A 9 10.880 2.731 2.998 1.00 24.24 H new ATOM 0 HH11 ARG A 9 12.299 -0.174 1.581 1.00 2.51 H new ATOM 0 HH12 ARG A 9 13.646 0.702 0.846 1.00 2.51 H new ATOM 0 HH21 ARG A 9 12.613 3.850 2.052 1.00 71.04 H new ATOM 0 HH22 ARG A 9 13.823 2.971 1.112 1.00 71.04 H new ATOM 136 N ALA A 10 8.986 -2.753 7.238 1.00 43.44 N ATOM 137 CA ALA A 10 8.076 -2.974 8.354 1.00 73.41 C ATOM 138 C ALA A 10 8.777 -3.697 9.499 1.00 31.20 C ATOM 139 O ALA A 10 8.390 -3.561 10.660 1.00 24.33 O ATOM 140 CB ALA A 10 6.860 -3.765 7.894 1.00 32.01 C ATOM 0 H ALA A 10 8.842 -3.380 6.446 1.00 43.44 H new ATOM 0 HA ALA A 10 7.747 -2.002 8.720 1.00 73.41 H new ATOM 0 HB1 ALA A 10 6.188 -3.923 8.738 1.00 32.01 H new ATOM 0 HB2 ALA A 10 6.339 -3.210 7.114 1.00 32.01 H new ATOM 0 HB3 ALA A 10 7.181 -4.729 7.500 1.00 32.01 H new ATOM 146 N ILE A 11 9.808 -4.465 9.164 1.00 21.44 N ATOM 147 CA ILE A 11 10.563 -5.209 10.165 1.00 13.05 C ATOM 148 C ILE A 11 10.998 -4.302 11.311 1.00 1.04 C ATOM 149 O ILE A 11 11.159 -4.752 12.445 1.00 21.40 O ATOM 150 CB ILE A 11 11.808 -5.875 9.551 1.00 21.35 C ATOM 151 CG1 ILE A 11 12.204 -7.112 10.362 1.00 54.53 C ATOM 152 CG2 ILE A 11 12.962 -4.885 9.488 1.00 34.43 C ATOM 153 CD1 ILE A 11 11.575 -8.391 9.857 1.00 61.43 C ATOM 0 H ILE A 11 10.140 -4.588 8.207 1.00 21.44 H new ATOM 0 HA ILE A 11 9.900 -5.984 10.550 1.00 13.05 H new ATOM 0 HB ILE A 11 11.569 -6.190 8.535 1.00 21.35 H new ATOM 0 HG12 ILE A 11 13.289 -7.218 10.342 1.00 54.53 H new ATOM 0 HG13 ILE A 11 11.917 -6.962 11.403 1.00 54.53 H new ATOM 0 HG21 ILE A 11 13.835 -5.371 9.052 1.00 34.43 H new ATOM 0 HG22 ILE A 11 12.676 -4.032 8.873 1.00 34.43 H new ATOM 0 HG23 ILE A 11 13.203 -4.542 10.494 1.00 34.43 H new ATOM 0 HD11 ILE A 11 11.899 -9.226 10.478 1.00 61.43 H new ATOM 0 HD12 ILE A 11 10.489 -8.305 9.902 1.00 61.43 H new ATOM 0 HD13 ILE A 11 11.882 -8.565 8.826 1.00 61.43 H new ATOM 165 N GLU A 12 11.185 -3.021 11.007 1.00 20.41 N ATOM 166 CA GLU A 12 11.601 -2.051 12.013 1.00 52.22 C ATOM 167 C GLU A 12 10.553 -1.928 13.116 1.00 44.43 C ATOM 168 O GLU A 12 10.889 -1.813 14.295 1.00 73.52 O ATOM 169 CB GLU A 12 11.840 -0.685 11.367 1.00 42.42 C ATOM 170 CG GLU A 12 13.025 0.066 11.952 1.00 53.13 C ATOM 171 CD GLU A 12 13.211 1.437 11.331 1.00 12.00 C ATOM 172 OE1 GLU A 12 12.346 2.310 11.553 1.00 53.23 O ATOM 173 OE2 GLU A 12 14.220 1.637 10.624 1.00 63.20 O ATOM 0 H GLU A 12 11.055 -2.632 10.073 1.00 20.41 H new ATOM 0 HA GLU A 12 12.532 -2.403 12.458 1.00 52.22 H new ATOM 0 HB2 GLU A 12 11.999 -0.821 10.297 1.00 42.42 H new ATOM 0 HB3 GLU A 12 10.943 -0.077 11.481 1.00 42.42 H new ATOM 0 HG2 GLU A 12 12.887 0.174 13.028 1.00 53.13 H new ATOM 0 HG3 GLU A 12 13.931 -0.521 11.805 1.00 53.13 H new ATOM 180 N ARG A 13 9.284 -1.951 12.723 1.00 31.13 N ATOM 181 CA ARG A 13 8.187 -1.840 13.677 1.00 21.34 C ATOM 182 C ARG A 13 8.113 -3.078 14.567 1.00 4.21 C ATOM 183 O ARG A 13 7.667 -3.006 15.711 1.00 14.25 O ATOM 184 CB ARG A 13 6.860 -1.649 12.941 1.00 11.42 C ATOM 185 CG ARG A 13 6.036 -0.484 13.465 1.00 52.44 C ATOM 186 CD ARG A 13 6.469 0.832 12.836 1.00 34.21 C ATOM 187 NE ARG A 13 6.349 1.949 13.769 1.00 43.43 N ATOM 188 CZ ARG A 13 6.436 3.224 13.403 1.00 33.45 C ATOM 189 NH1 ARG A 13 6.640 3.540 12.132 1.00 24.03 N ATOM 190 NH2 ARG A 13 6.317 4.185 14.311 1.00 74.43 N ATOM 0 H ARG A 13 8.990 -2.045 11.751 1.00 31.13 H new ATOM 0 HA ARG A 13 8.374 -0.971 14.307 1.00 21.34 H new ATOM 0 HB2 ARG A 13 7.061 -1.493 11.881 1.00 11.42 H new ATOM 0 HB3 ARG A 13 6.274 -2.564 13.023 1.00 11.42 H new ATOM 0 HG2 ARG A 13 4.981 -0.659 13.255 1.00 52.44 H new ATOM 0 HG3 ARG A 13 6.139 -0.422 14.548 1.00 52.44 H new ATOM 0 HD2 ARG A 13 7.502 0.750 12.499 1.00 34.21 H new ATOM 0 HD3 ARG A 13 5.861 1.030 11.953 1.00 34.21 H new ATOM 0 HE ARG A 13 6.190 1.740 14.755 1.00 43.43 H new ATOM 0 HH11 ARG A 13 6.731 2.804 11.432 1.00 24.03 H new ATOM 0 HH12 ARG A 13 6.706 4.519 11.854 1.00 24.03 H new ATOM 0 HH21 ARG A 13 6.159 3.945 15.290 1.00 74.43 H new ATOM 0 HH22 ARG A 13 6.384 5.163 14.030 1.00 74.43 H new ATOM 204 N ALA A 14 8.554 -4.212 14.032 1.00 4.35 N ATOM 205 CA ALA A 14 8.540 -5.464 14.778 1.00 72.20 C ATOM 206 C ALA A 14 9.509 -5.414 15.954 1.00 32.23 C ATOM 207 O ALA A 14 9.143 -5.734 17.086 1.00 61.13 O ATOM 208 CB ALA A 14 8.881 -6.629 13.860 1.00 14.20 C ATOM 0 H ALA A 14 8.925 -4.289 13.085 1.00 4.35 H new ATOM 0 HA ALA A 14 7.535 -5.610 15.175 1.00 72.20 H new ATOM 0 HB1 ALA A 14 8.867 -7.558 14.430 1.00 14.20 H new ATOM 0 HB2 ALA A 14 8.147 -6.686 13.056 1.00 14.20 H new ATOM 0 HB3 ALA A 14 9.874 -6.479 13.435 1.00 14.20 H new ATOM 214 N ILE A 15 10.745 -5.012 15.680 1.00 41.13 N ATOM 215 CA ILE A 15 11.766 -4.920 16.716 1.00 31.11 C ATOM 216 C ILE A 15 11.539 -3.702 17.605 1.00 40.11 C ATOM 217 O ILE A 15 11.781 -3.748 18.811 1.00 70.24 O ATOM 218 CB ILE A 15 13.179 -4.843 16.109 1.00 42.51 C ATOM 219 CG1 ILE A 15 14.233 -4.807 17.218 1.00 50.03 C ATOM 220 CG2 ILE A 15 13.304 -3.620 15.213 1.00 41.35 C ATOM 221 CD1 ILE A 15 15.159 -6.003 17.210 1.00 40.03 C ATOM 0 H ILE A 15 11.064 -4.745 14.749 1.00 41.13 H new ATOM 0 HA ILE A 15 11.687 -5.825 17.318 1.00 31.11 H new ATOM 0 HB ILE A 15 13.347 -5.733 15.502 1.00 42.51 H new ATOM 0 HG12 ILE A 15 14.826 -3.898 17.116 1.00 50.03 H new ATOM 0 HG13 ILE A 15 13.731 -4.753 18.184 1.00 50.03 H new ATOM 0 HG21 ILE A 15 14.308 -3.579 14.791 1.00 41.35 H new ATOM 0 HG22 ILE A 15 12.574 -3.684 14.406 1.00 41.35 H new ATOM 0 HG23 ILE A 15 13.120 -2.719 15.799 1.00 41.35 H new ATOM 0 HD11 ILE A 15 15.880 -5.911 18.023 1.00 40.03 H new ATOM 0 HD12 ILE A 15 14.577 -6.915 17.343 1.00 40.03 H new ATOM 0 HD13 ILE A 15 15.689 -6.047 16.258 1.00 40.03 H new ATOM 233 N GLN A 16 11.071 -2.614 17.001 1.00 65.33 N ATOM 234 CA GLN A 16 10.811 -1.384 17.738 1.00 13.22 C ATOM 235 C GLN A 16 9.716 -1.595 18.779 1.00 50.41 C ATOM 236 O GLN A 16 9.634 -0.862 19.765 1.00 72.35 O ATOM 237 CB GLN A 16 10.408 -0.264 16.777 1.00 5.22 C ATOM 238 CG GLN A 16 11.592 0.449 16.144 1.00 5.34 C ATOM 239 CD GLN A 16 12.322 1.350 17.122 1.00 72.23 C ATOM 240 OE1 GLN A 16 13.293 0.938 17.757 1.00 40.20 O ATOM 241 NE2 GLN A 16 11.857 2.587 17.247 1.00 14.25 N ATOM 0 H GLN A 16 10.864 -2.560 16.004 1.00 65.33 H new ATOM 0 HA GLN A 16 11.728 -1.098 18.254 1.00 13.22 H new ATOM 0 HB2 GLN A 16 9.781 -0.681 15.988 1.00 5.22 H new ATOM 0 HB3 GLN A 16 9.801 0.464 17.315 1.00 5.22 H new ATOM 0 HG2 GLN A 16 12.288 -0.291 15.749 1.00 5.34 H new ATOM 0 HG3 GLN A 16 11.244 1.043 15.299 1.00 5.34 H new ATOM 0 HE21 GLN A 16 11.049 2.886 16.701 1.00 14.25 H new ATOM 0 HE22 GLN A 16 12.308 3.239 17.889 1.00 14.25 H new ATOM 250 N ALA A 17 8.877 -2.600 18.552 1.00 13.15 N ATOM 251 CA ALA A 17 7.788 -2.908 19.471 1.00 10.14 C ATOM 252 C ALA A 17 8.321 -3.259 20.856 1.00 1.02 C ATOM 253 O ALA A 17 7.940 -2.645 21.852 1.00 54.43 O ATOM 254 CB ALA A 17 6.942 -4.048 18.924 1.00 24.44 C ATOM 0 H ALA A 17 8.930 -3.215 17.740 1.00 13.15 H new ATOM 0 HA ALA A 17 7.163 -2.020 19.565 1.00 10.14 H new ATOM 0 HB1 ALA A 17 6.133 -4.267 19.621 1.00 24.44 H new ATOM 0 HB2 ALA A 17 6.523 -3.760 17.960 1.00 24.44 H new ATOM 0 HB3 ALA A 17 7.563 -4.935 18.799 1.00 24.44 H new ATOM 260 N GLU A 18 9.204 -4.251 20.911 1.00 23.03 N ATOM 261 CA GLU A 18 9.788 -4.684 22.176 1.00 51.04 C ATOM 262 C GLU A 18 8.706 -5.165 23.138 1.00 72.53 C ATOM 263 O GLU A 18 8.600 -4.680 24.263 1.00 4.11 O ATOM 264 CB GLU A 18 10.582 -3.542 22.814 1.00 71.32 C ATOM 265 CG GLU A 18 11.679 -2.989 21.919 1.00 34.23 C ATOM 266 CD GLU A 18 12.955 -2.687 22.680 1.00 20.00 C ATOM 267 OE1 GLU A 18 13.396 -3.553 23.465 1.00 42.33 O ATOM 268 OE2 GLU A 18 13.512 -1.586 22.491 1.00 4.32 O ATOM 0 H GLU A 18 9.531 -4.770 20.096 1.00 23.03 H new ATOM 0 HA GLU A 18 10.462 -5.515 21.970 1.00 51.04 H new ATOM 0 HB2 GLU A 18 9.897 -2.736 23.075 1.00 71.32 H new ATOM 0 HB3 GLU A 18 11.027 -3.895 23.744 1.00 71.32 H new ATOM 0 HG2 GLU A 18 11.894 -3.707 21.128 1.00 34.23 H new ATOM 0 HG3 GLU A 18 11.324 -2.079 21.436 1.00 34.23 H new ATOM 275 N ASN A 19 7.903 -6.123 22.685 1.00 24.50 N ATOM 276 CA ASN A 19 6.828 -6.671 23.505 1.00 42.55 C ATOM 277 C ASN A 19 6.372 -8.024 22.970 1.00 75.44 C ATOM 278 O ASN A 19 6.841 -8.481 21.928 1.00 24.43 O ATOM 279 CB ASN A 19 5.646 -5.700 23.545 1.00 33.51 C ATOM 280 CG ASN A 19 4.829 -5.837 24.816 1.00 44.21 C ATOM 281 OD1 ASN A 19 5.378 -6.024 25.902 1.00 32.31 O ATOM 282 ND2 ASN A 19 3.511 -5.743 24.685 1.00 22.21 N ATOM 0 H ASN A 19 7.976 -6.536 21.755 1.00 24.50 H new ATOM 0 HA ASN A 19 7.210 -6.811 24.516 1.00 42.55 H new ATOM 0 HB2 ASN A 19 6.016 -4.678 23.462 1.00 33.51 H new ATOM 0 HB3 ASN A 19 5.004 -5.878 22.682 1.00 33.51 H new ATOM 0 HD21 ASN A 19 2.910 -5.826 25.505 1.00 22.21 H new ATOM 0 HD22 ASN A 19 3.100 -5.588 23.765 1.00 22.21 H new ATOM 289 N GLU A 20 5.452 -8.660 23.690 1.00 43.21 N ATOM 290 CA GLU A 20 4.933 -9.961 23.287 1.00 33.42 C ATOM 291 C GLU A 20 3.451 -9.870 22.933 1.00 43.34 C ATOM 292 O GLU A 20 2.599 -9.733 23.809 1.00 22.54 O ATOM 293 CB GLU A 20 5.138 -10.986 24.405 1.00 2.53 C ATOM 294 CG GLU A 20 6.544 -10.982 24.983 1.00 73.53 C ATOM 295 CD GLU A 20 6.752 -12.072 26.016 1.00 63.51 C ATOM 296 OE1 GLU A 20 5.768 -12.759 26.362 1.00 4.11 O ATOM 297 OE2 GLU A 20 7.901 -12.239 26.478 1.00 14.01 O ATOM 0 H GLU A 20 5.052 -8.295 24.554 1.00 43.21 H new ATOM 0 HA GLU A 20 5.482 -10.284 22.402 1.00 33.42 H new ATOM 0 HB2 GLU A 20 4.425 -10.787 25.205 1.00 2.53 H new ATOM 0 HB3 GLU A 20 4.915 -11.981 24.020 1.00 2.53 H new ATOM 0 HG2 GLU A 20 7.265 -11.109 24.176 1.00 73.53 H new ATOM 0 HG3 GLU A 20 6.743 -10.012 25.438 1.00 73.53 H new ATOM 304 N GLY A 21 3.153 -9.945 21.639 1.00 34.00 N ATOM 305 CA GLY A 21 1.775 -9.868 21.190 1.00 34.13 C ATOM 306 C GLY A 21 1.597 -10.378 19.774 1.00 72.20 C ATOM 307 O GLY A 21 2.199 -11.380 19.388 1.00 72.32 O ATOM 0 H GLY A 21 3.841 -10.058 20.894 1.00 34.00 H new ATOM 0 HA2 GLY A 21 1.144 -10.448 21.864 1.00 34.13 H new ATOM 0 HA3 GLY A 21 1.435 -8.834 21.246 1.00 34.13 H new ATOM 311 N ARG A 22 0.767 -9.689 18.998 1.00 11.42 N ATOM 312 CA ARG A 22 0.509 -10.080 17.617 1.00 3.55 C ATOM 313 C ARG A 22 1.803 -10.104 16.809 1.00 61.01 C ATOM 314 O ARG A 22 1.877 -10.738 15.756 1.00 22.11 O ATOM 315 CB ARG A 22 -0.490 -9.119 16.971 1.00 15.21 C ATOM 316 CG ARG A 22 -1.804 -9.007 17.727 1.00 31.14 C ATOM 317 CD ARG A 22 -2.327 -7.579 17.728 1.00 71.23 C ATOM 318 NE ARG A 22 -3.659 -7.484 18.320 1.00 23.10 N ATOM 319 CZ ARG A 22 -4.346 -6.350 18.406 1.00 64.43 C ATOM 320 NH1 ARG A 22 -3.829 -5.222 17.939 1.00 14.33 N ATOM 321 NH2 ARG A 22 -5.552 -6.344 18.958 1.00 21.34 N ATOM 0 H ARG A 22 0.261 -8.857 19.302 1.00 11.42 H new ATOM 0 HA ARG A 22 0.085 -11.084 17.623 1.00 3.55 H new ATOM 0 HB2 ARG A 22 -0.036 -8.131 16.900 1.00 15.21 H new ATOM 0 HB3 ARG A 22 -0.694 -9.450 15.953 1.00 15.21 H new ATOM 0 HG2 ARG A 22 -2.544 -9.666 17.272 1.00 31.14 H new ATOM 0 HG3 ARG A 22 -1.664 -9.345 18.754 1.00 31.14 H new ATOM 0 HD2 ARG A 22 -1.638 -6.941 18.282 1.00 71.23 H new ATOM 0 HD3 ARG A 22 -2.357 -7.203 16.705 1.00 71.23 H new ATOM 0 HE ARG A 22 -4.085 -8.335 18.687 1.00 23.10 H new ATOM 0 HH11 ARG A 22 -2.902 -5.224 17.513 1.00 14.33 H new ATOM 0 HH12 ARG A 22 -4.358 -4.352 18.006 1.00 14.33 H new ATOM 0 HH21 ARG A 22 -5.953 -7.210 19.317 1.00 21.34 H new ATOM 0 HH22 ARG A 22 -6.079 -5.473 19.024 1.00 21.34 H new ATOM 335 N TYR A 23 2.820 -9.410 17.308 1.00 55.41 N ATOM 336 CA TYR A 23 4.109 -9.349 16.631 1.00 64.12 C ATOM 337 C TYR A 23 4.581 -10.744 16.232 1.00 24.13 C ATOM 338 O TYR A 23 5.309 -10.909 15.253 1.00 25.13 O ATOM 339 CB TYR A 23 5.151 -8.684 17.532 1.00 63.11 C ATOM 340 CG TYR A 23 4.701 -7.358 18.102 1.00 41.03 C ATOM 341 CD1 TYR A 23 4.510 -6.255 17.279 1.00 10.22 C ATOM 342 CD2 TYR A 23 4.466 -7.209 19.463 1.00 13.31 C ATOM 343 CE1 TYR A 23 4.099 -5.041 17.796 1.00 65.22 C ATOM 344 CE2 TYR A 23 4.054 -5.999 19.988 1.00 34.23 C ATOM 345 CZ TYR A 23 3.872 -4.918 19.151 1.00 64.43 C ATOM 346 OH TYR A 23 3.462 -3.712 19.669 1.00 11.50 O ATOM 0 H TYR A 23 2.776 -8.882 18.179 1.00 55.41 H new ATOM 0 HA TYR A 23 3.988 -8.753 15.726 1.00 64.12 H new ATOM 0 HB2 TYR A 23 5.393 -9.359 18.353 1.00 63.11 H new ATOM 0 HB3 TYR A 23 6.068 -8.533 16.962 1.00 63.11 H new ATOM 0 HD1 TYR A 23 4.686 -6.348 16.217 1.00 10.22 H new ATOM 0 HD2 TYR A 23 4.608 -8.053 20.122 1.00 13.31 H new ATOM 0 HE1 TYR A 23 3.956 -4.193 17.143 1.00 65.22 H new ATOM 0 HE2 TYR A 23 3.875 -5.900 21.049 1.00 34.23 H new ATOM 0 HH TYR A 23 3.346 -3.795 20.639 1.00 11.50 H new ATOM 356 N ARG A 24 4.161 -11.745 16.998 1.00 35.32 N ATOM 357 CA ARG A 24 4.540 -13.127 16.727 1.00 53.44 C ATOM 358 C ARG A 24 3.923 -13.612 15.418 1.00 22.40 C ATOM 359 O ARG A 24 4.595 -14.239 14.600 1.00 45.34 O ATOM 360 CB ARG A 24 4.101 -14.034 17.877 1.00 33.04 C ATOM 361 CG ARG A 24 2.617 -13.942 18.193 1.00 31.15 C ATOM 362 CD ARG A 24 1.845 -15.103 17.587 1.00 61.51 C ATOM 363 NE ARG A 24 0.415 -14.822 17.495 1.00 10.22 N ATOM 364 CZ ARG A 24 -0.512 -15.763 17.351 1.00 45.32 C ATOM 365 NH1 ARG A 24 -0.160 -17.039 17.283 1.00 62.24 N ATOM 366 NH2 ARG A 24 -1.793 -15.427 17.275 1.00 71.41 N ATOM 0 H ARG A 24 3.558 -11.625 17.812 1.00 35.32 H new ATOM 0 HA ARG A 24 5.625 -13.169 16.635 1.00 53.44 H new ATOM 0 HB2 ARG A 24 4.348 -15.066 17.629 1.00 33.04 H new ATOM 0 HB3 ARG A 24 4.671 -13.776 18.770 1.00 33.04 H new ATOM 0 HG2 ARG A 24 2.474 -13.933 19.274 1.00 31.15 H new ATOM 0 HG3 ARG A 24 2.220 -13.001 17.811 1.00 31.15 H new ATOM 0 HD2 ARG A 24 2.236 -15.319 16.593 1.00 61.51 H new ATOM 0 HD3 ARG A 24 2.001 -15.996 18.192 1.00 61.51 H new ATOM 0 HE ARG A 24 0.111 -13.850 17.544 1.00 10.22 H new ATOM 0 HH11 ARG A 24 0.824 -17.300 17.341 1.00 62.24 H new ATOM 0 HH12 ARG A 24 -0.873 -17.760 17.172 1.00 62.24 H new ATOM 0 HH21 ARG A 24 -2.067 -14.446 17.327 1.00 71.41 H new ATOM 0 HH22 ARG A 24 -2.504 -16.150 17.164 1.00 71.41 H new ATOM 380 N GLU A 25 2.640 -13.319 15.229 1.00 24.03 N ATOM 381 CA GLU A 25 1.934 -13.728 14.021 1.00 51.51 C ATOM 382 C GLU A 25 2.307 -12.831 12.843 1.00 30.53 C ATOM 383 O GLU A 25 2.167 -13.221 11.685 1.00 70.15 O ATOM 384 CB GLU A 25 0.421 -13.685 14.249 1.00 65.42 C ATOM 385 CG GLU A 25 -0.125 -12.282 14.447 1.00 54.33 C ATOM 386 CD GLU A 25 -1.592 -12.170 14.078 1.00 41.53 C ATOM 387 OE1 GLU A 25 -2.304 -13.192 14.157 1.00 13.13 O ATOM 388 OE2 GLU A 25 -2.027 -11.058 13.709 1.00 21.23 O ATOM 0 H GLU A 25 2.069 -12.800 15.897 1.00 24.03 H new ATOM 0 HA GLU A 25 2.230 -14.750 13.786 1.00 51.51 H new ATOM 0 HB2 GLU A 25 -0.080 -14.143 13.396 1.00 65.42 H new ATOM 0 HB3 GLU A 25 0.177 -14.288 15.124 1.00 65.42 H new ATOM 0 HG2 GLU A 25 0.007 -11.988 15.488 1.00 54.33 H new ATOM 0 HG3 GLU A 25 0.452 -11.583 13.842 1.00 54.33 H new ATOM 395 N ALA A 26 2.782 -11.629 13.150 1.00 50.31 N ATOM 396 CA ALA A 26 3.177 -10.678 12.118 1.00 14.53 C ATOM 397 C ALA A 26 4.342 -11.214 11.294 1.00 4.53 C ATOM 398 O ALA A 26 4.421 -10.982 10.087 1.00 31.30 O ATOM 399 CB ALA A 26 3.542 -9.340 12.745 1.00 32.24 C ATOM 0 H ALA A 26 2.903 -11.290 14.105 1.00 50.31 H new ATOM 0 HA ALA A 26 2.329 -10.534 11.448 1.00 14.53 H new ATOM 0 HB1 ALA A 26 3.835 -8.640 11.963 1.00 32.24 H new ATOM 0 HB2 ALA A 26 2.681 -8.944 13.283 1.00 32.24 H new ATOM 0 HB3 ALA A 26 4.372 -9.477 13.438 1.00 32.24 H new ATOM 405 N LEU A 27 5.247 -11.930 11.953 1.00 15.34 N ATOM 406 CA LEU A 27 6.410 -12.499 11.281 1.00 12.55 C ATOM 407 C LEU A 27 5.985 -13.407 10.133 1.00 74.44 C ATOM 408 O LEU A 27 6.635 -13.451 9.088 1.00 74.31 O ATOM 409 CB LEU A 27 7.266 -13.283 12.278 1.00 53.15 C ATOM 410 CG LEU A 27 8.406 -12.508 12.939 1.00 52.21 C ATOM 411 CD1 LEU A 27 9.140 -13.388 13.938 1.00 3.03 C ATOM 412 CD2 LEU A 27 9.368 -11.974 11.888 1.00 52.22 C ATOM 0 H LEU A 27 5.198 -12.130 12.952 1.00 15.34 H new ATOM 0 HA LEU A 27 7.000 -11.679 10.871 1.00 12.55 H new ATOM 0 HB2 LEU A 27 6.614 -13.669 13.061 1.00 53.15 H new ATOM 0 HB3 LEU A 27 7.690 -14.145 11.763 1.00 53.15 H new ATOM 0 HG LEU A 27 7.980 -11.661 13.476 1.00 52.21 H new ATOM 0 HD11 LEU A 27 9.948 -12.820 14.399 1.00 3.03 H new ATOM 0 HD12 LEU A 27 8.445 -13.721 14.709 1.00 3.03 H new ATOM 0 HD13 LEU A 27 9.554 -14.255 13.424 1.00 3.03 H new ATOM 0 HD21 LEU A 27 10.173 -11.425 12.377 1.00 52.22 H new ATOM 0 HD22 LEU A 27 9.787 -12.806 11.322 1.00 52.22 H new ATOM 0 HD23 LEU A 27 8.834 -11.308 11.211 1.00 52.22 H new ATOM 424 N LYS A 28 4.888 -14.131 10.332 1.00 51.40 N ATOM 425 CA LYS A 28 4.372 -15.036 9.312 1.00 24.54 C ATOM 426 C LYS A 28 4.231 -14.323 7.972 1.00 44.14 C ATOM 427 O LYS A 28 4.464 -14.912 6.916 1.00 61.42 O ATOM 428 CB LYS A 28 3.019 -15.606 9.744 1.00 50.21 C ATOM 429 CG LYS A 28 2.882 -17.099 9.500 1.00 14.34 C ATOM 430 CD LYS A 28 1.882 -17.730 10.455 1.00 3.13 C ATOM 431 CE LYS A 28 1.764 -19.229 10.227 1.00 14.02 C ATOM 432 NZ LYS A 28 0.517 -19.581 9.493 1.00 71.31 N ATOM 0 H LYS A 28 4.339 -14.108 11.191 1.00 51.40 H new ATOM 0 HA LYS A 28 5.083 -15.854 9.195 1.00 24.54 H new ATOM 0 HB2 LYS A 28 2.872 -15.405 10.805 1.00 50.21 H new ATOM 0 HB3 LYS A 28 2.226 -15.084 9.207 1.00 50.21 H new ATOM 0 HG2 LYS A 28 2.565 -17.273 8.472 1.00 14.34 H new ATOM 0 HG3 LYS A 28 3.853 -17.579 9.619 1.00 14.34 H new ATOM 0 HD2 LYS A 28 2.190 -17.540 11.483 1.00 3.13 H new ATOM 0 HD3 LYS A 28 0.906 -17.263 10.323 1.00 3.13 H new ATOM 0 HE2 LYS A 28 2.629 -19.580 9.664 1.00 14.02 H new ATOM 0 HE3 LYS A 28 1.778 -19.745 11.187 1.00 14.02 H new ATOM 0 HZ1 LYS A 28 0.473 -20.611 9.357 1.00 71.31 H new ATOM 0 HZ2 LYS A 28 -0.309 -19.269 10.042 1.00 71.31 H new ATOM 0 HZ3 LYS A 28 0.515 -19.109 8.566 1.00 71.31 H new ATOM 446 N HIS A 29 3.850 -13.050 8.021 1.00 64.32 N ATOM 447 CA HIS A 29 3.681 -12.256 6.809 1.00 13.34 C ATOM 448 C HIS A 29 5.002 -12.120 6.059 1.00 4.23 C ATOM 449 O HIS A 29 5.037 -12.164 4.829 1.00 23.24 O ATOM 450 CB HIS A 29 3.132 -10.871 7.155 1.00 23.01 C ATOM 451 CG HIS A 29 2.327 -10.254 6.053 1.00 1.54 C ATOM 452 ND1 HIS A 29 0.965 -10.057 6.136 1.00 12.11 N ATOM 453 CD2 HIS A 29 2.700 -9.786 4.839 1.00 22.21 C ATOM 454 CE1 HIS A 29 0.534 -9.497 5.020 1.00 64.13 C ATOM 455 NE2 HIS A 29 1.568 -9.322 4.216 1.00 10.32 N ATOM 0 H HIS A 29 3.653 -12.547 8.886 1.00 64.32 H new ATOM 0 HA HIS A 29 2.969 -12.770 6.163 1.00 13.34 H new ATOM 0 HB2 HIS A 29 2.512 -10.948 8.048 1.00 23.01 H new ATOM 0 HB3 HIS A 29 3.964 -10.210 7.400 1.00 23.01 H new ATOM 0 HD2 HIS A 29 3.702 -9.779 4.435 1.00 22.21 H new ATOM 0 HE1 HIS A 29 -0.489 -9.228 4.802 1.00 64.13 H new ATOM 0 HE2 HIS A 29 1.531 -8.909 3.284 1.00 10.32 H new ATOM 463 N PHE A 30 6.088 -11.953 6.808 1.00 74.20 N ATOM 464 CA PHE A 30 7.411 -11.809 6.214 1.00 45.12 C ATOM 465 C PHE A 30 7.858 -13.112 5.558 1.00 25.33 C ATOM 466 O PHE A 30 8.414 -13.109 4.459 1.00 75.34 O ATOM 467 CB PHE A 30 8.427 -11.385 7.277 1.00 43.25 C ATOM 468 CG PHE A 30 9.734 -10.915 6.703 1.00 31.44 C ATOM 469 CD1 PHE A 30 10.615 -11.815 6.126 1.00 61.14 C ATOM 470 CD2 PHE A 30 10.081 -9.575 6.742 1.00 54.51 C ATOM 471 CE1 PHE A 30 11.818 -11.386 5.598 1.00 3.23 C ATOM 472 CE2 PHE A 30 11.282 -9.139 6.216 1.00 64.23 C ATOM 473 CZ PHE A 30 12.152 -10.046 5.642 1.00 32.12 C ATOM 0 H PHE A 30 6.077 -11.914 7.827 1.00 74.20 H new ATOM 0 HA PHE A 30 7.355 -11.037 5.446 1.00 45.12 H new ATOM 0 HB2 PHE A 30 7.997 -10.587 7.882 1.00 43.25 H new ATOM 0 HB3 PHE A 30 8.614 -12.226 7.945 1.00 43.25 H new ATOM 0 HD1 PHE A 30 10.359 -12.864 6.088 1.00 61.14 H new ATOM 0 HD2 PHE A 30 9.404 -8.862 7.189 1.00 54.51 H new ATOM 0 HE1 PHE A 30 12.497 -12.098 5.151 1.00 3.23 H new ATOM 0 HE2 PHE A 30 11.540 -8.091 6.253 1.00 64.23 H new ATOM 0 HZ PHE A 30 13.091 -9.708 5.229 1.00 32.12 H new ATOM 483 N LEU A 31 7.613 -14.225 6.241 1.00 23.11 N ATOM 484 CA LEU A 31 7.990 -15.537 5.727 1.00 65.23 C ATOM 485 C LEU A 31 7.328 -15.805 4.379 1.00 15.13 C ATOM 486 O LEU A 31 7.875 -16.517 3.537 1.00 4.43 O ATOM 487 CB LEU A 31 7.602 -16.629 6.725 1.00 21.10 C ATOM 488 CG LEU A 31 8.757 -17.294 7.475 1.00 14.04 C ATOM 489 CD1 LEU A 31 8.227 -18.178 8.594 1.00 5.22 C ATOM 490 CD2 LEU A 31 9.620 -18.102 6.518 1.00 71.22 C ATOM 0 H LEU A 31 7.155 -14.245 7.152 1.00 23.11 H new ATOM 0 HA LEU A 31 9.071 -15.548 5.588 1.00 65.23 H new ATOM 0 HB2 LEU A 31 6.920 -16.198 7.458 1.00 21.10 H new ATOM 0 HB3 LEU A 31 7.049 -17.402 6.191 1.00 21.10 H new ATOM 0 HG LEU A 31 9.375 -16.513 7.918 1.00 14.04 H new ATOM 0 HD11 LEU A 31 9.063 -18.643 9.117 1.00 5.22 H new ATOM 0 HD12 LEU A 31 7.652 -17.573 9.295 1.00 5.22 H new ATOM 0 HD13 LEU A 31 7.586 -18.953 8.173 1.00 5.22 H new ATOM 0 HD21 LEU A 31 10.437 -18.568 7.069 1.00 71.22 H new ATOM 0 HD22 LEU A 31 9.014 -18.875 6.046 1.00 71.22 H new ATOM 0 HD23 LEU A 31 10.029 -17.443 5.752 1.00 71.22 H new ATOM 502 N ASP A 32 6.147 -15.229 4.182 1.00 41.31 N ATOM 503 CA ASP A 32 5.410 -15.402 2.935 1.00 25.23 C ATOM 504 C ASP A 32 6.171 -14.786 1.765 1.00 74.43 C ATOM 505 O ASP A 32 6.188 -15.337 0.665 1.00 42.45 O ATOM 506 CB ASP A 32 4.022 -14.771 3.046 1.00 12.24 C ATOM 507 CG ASP A 32 2.909 -15.790 2.902 1.00 61.32 C ATOM 508 OD1 ASP A 32 2.534 -16.407 3.921 1.00 51.04 O ATOM 509 OD2 ASP A 32 2.414 -15.972 1.770 1.00 70.24 O ATOM 0 H ASP A 32 5.679 -14.638 4.870 1.00 41.31 H new ATOM 0 HA ASP A 32 5.300 -16.471 2.752 1.00 25.23 H new ATOM 0 HB2 ASP A 32 3.930 -14.271 4.010 1.00 12.24 H new ATOM 0 HB3 ASP A 32 3.912 -14.006 2.278 1.00 12.24 H new ATOM 514 N GLY A 33 6.797 -13.640 2.010 1.00 4.41 N ATOM 515 CA GLY A 33 7.549 -12.967 0.967 1.00 63.33 C ATOM 516 C GLY A 33 8.766 -13.758 0.528 1.00 41.40 C ATOM 517 O GLY A 33 9.228 -13.622 -0.604 1.00 73.43 O ATOM 0 H GLY A 33 6.797 -13.165 2.913 1.00 4.41 H new ATOM 0 HA2 GLY A 33 6.900 -12.797 0.108 1.00 63.33 H new ATOM 0 HA3 GLY A 33 7.866 -11.988 1.326 1.00 63.33 H new ATOM 521 N GLY A 34 9.289 -14.585 1.428 1.00 33.21 N ATOM 522 CA GLY A 34 10.456 -15.387 1.109 1.00 11.54 C ATOM 523 C GLY A 34 10.249 -16.249 -0.120 1.00 31.34 C ATOM 524 O GLY A 34 11.200 -16.557 -0.837 1.00 4.52 O ATOM 0 H GLY A 34 8.926 -14.714 2.372 1.00 33.21 H new ATOM 0 HA2 GLY A 34 11.311 -14.731 0.949 1.00 11.54 H new ATOM 0 HA3 GLY A 34 10.698 -16.024 1.959 1.00 11.54 H new ATOM 528 N GLU A 35 9.002 -16.642 -0.362 1.00 62.10 N ATOM 529 CA GLU A 35 8.675 -17.477 -1.512 1.00 21.12 C ATOM 530 C GLU A 35 8.737 -16.670 -2.805 1.00 70.05 C ATOM 531 O GLU A 35 8.815 -17.233 -3.897 1.00 41.31 O ATOM 532 CB GLU A 35 7.283 -18.089 -1.346 1.00 34.21 C ATOM 533 CG GLU A 35 7.123 -18.903 -0.072 1.00 41.35 C ATOM 534 CD GLU A 35 5.695 -19.361 0.152 1.00 63.10 C ATOM 535 OE1 GLU A 35 4.827 -18.497 0.394 1.00 35.00 O ATOM 536 OE2 GLU A 35 5.446 -20.583 0.086 1.00 45.11 O ATOM 0 H GLU A 35 8.203 -16.396 0.222 1.00 62.10 H new ATOM 0 HA GLU A 35 9.412 -18.278 -1.569 1.00 21.12 H new ATOM 0 HB2 GLU A 35 6.541 -17.290 -1.352 1.00 34.21 H new ATOM 0 HB3 GLU A 35 7.071 -18.727 -2.204 1.00 34.21 H new ATOM 0 HG2 GLU A 35 7.777 -19.774 -0.117 1.00 41.35 H new ATOM 0 HG3 GLU A 35 7.447 -18.305 0.780 1.00 41.35 H new ATOM 543 N MET A 36 8.701 -15.348 -2.674 1.00 32.15 N ATOM 544 CA MET A 36 8.753 -14.463 -3.832 1.00 24.25 C ATOM 545 C MET A 36 10.140 -14.482 -4.468 1.00 13.04 C ATOM 546 O MET A 36 10.273 -14.396 -5.689 1.00 25.14 O ATOM 547 CB MET A 36 8.385 -13.035 -3.426 1.00 11.21 C ATOM 548 CG MET A 36 7.000 -12.916 -2.810 1.00 23.01 C ATOM 549 SD MET A 36 5.812 -12.135 -3.918 1.00 52.22 S ATOM 550 CE MET A 36 4.959 -13.570 -4.566 1.00 72.41 C ATOM 0 H MET A 36 8.636 -14.866 -1.777 1.00 32.15 H new ATOM 0 HA MET A 36 8.031 -14.822 -4.565 1.00 24.25 H new ATOM 0 HB2 MET A 36 9.123 -12.667 -2.714 1.00 11.21 H new ATOM 0 HB3 MET A 36 8.440 -12.391 -4.304 1.00 11.21 H new ATOM 0 HG2 MET A 36 6.640 -13.909 -2.540 1.00 23.01 H new ATOM 0 HG3 MET A 36 7.065 -12.338 -1.888 1.00 23.01 H new ATOM 0 HE1 MET A 36 4.190 -13.250 -5.269 1.00 72.41 H new ATOM 0 HE2 MET A 36 5.672 -14.217 -5.077 1.00 72.41 H new ATOM 0 HE3 MET A 36 4.495 -14.118 -3.746 1.00 72.41 H new ATOM 560 N ILE A 37 11.167 -14.594 -3.633 1.00 23.42 N ATOM 561 CA ILE A 37 12.543 -14.625 -4.115 1.00 34.03 C ATOM 562 C ILE A 37 12.913 -16.011 -4.633 1.00 54.41 C ATOM 563 O ILE A 37 13.794 -16.153 -5.480 1.00 62.35 O ATOM 564 CB ILE A 37 13.536 -14.221 -3.009 1.00 53.21 C ATOM 565 CG1 ILE A 37 14.778 -13.571 -3.622 1.00 12.51 C ATOM 566 CG2 ILE A 37 13.923 -15.433 -2.175 1.00 75.25 C ATOM 567 CD1 ILE A 37 15.726 -12.993 -2.595 1.00 3.10 C ATOM 0 H ILE A 37 11.073 -14.665 -2.620 1.00 23.42 H new ATOM 0 HA ILE A 37 12.608 -13.905 -4.931 1.00 34.03 H new ATOM 0 HB ILE A 37 13.053 -13.495 -2.355 1.00 53.21 H new ATOM 0 HG12 ILE A 37 15.309 -14.313 -4.219 1.00 12.51 H new ATOM 0 HG13 ILE A 37 14.465 -12.779 -4.303 1.00 12.51 H new ATOM 0 HG21 ILE A 37 14.625 -15.131 -1.398 1.00 75.25 H new ATOM 0 HG22 ILE A 37 13.031 -15.857 -1.713 1.00 75.25 H new ATOM 0 HG23 ILE A 37 14.390 -16.181 -2.815 1.00 75.25 H new ATOM 0 HD11 ILE A 37 16.583 -12.549 -3.101 1.00 3.10 H new ATOM 0 HD12 ILE A 37 15.211 -12.228 -2.014 1.00 3.10 H new ATOM 0 HD13 ILE A 37 16.068 -13.785 -1.929 1.00 3.10 H new ATOM 579 N VAL A 38 12.232 -17.030 -4.119 1.00 75.04 N ATOM 580 CA VAL A 38 12.486 -18.405 -4.532 1.00 41.03 C ATOM 581 C VAL A 38 11.904 -18.681 -5.914 1.00 51.41 C ATOM 582 O VAL A 38 12.589 -19.197 -6.798 1.00 31.24 O ATOM 583 CB VAL A 38 11.894 -19.411 -3.528 1.00 22.42 C ATOM 584 CG1 VAL A 38 12.138 -20.838 -3.994 1.00 64.45 C ATOM 585 CG2 VAL A 38 12.480 -19.187 -2.142 1.00 31.31 C ATOM 0 H VAL A 38 11.500 -16.929 -3.416 1.00 75.04 H new ATOM 0 HA VAL A 38 13.568 -18.530 -4.565 1.00 41.03 H new ATOM 0 HB VAL A 38 10.817 -19.252 -3.473 1.00 22.42 H new ATOM 0 HG11 VAL A 38 11.712 -21.534 -3.272 1.00 64.45 H new ATOM 0 HG12 VAL A 38 11.667 -20.989 -4.965 1.00 64.45 H new ATOM 0 HG13 VAL A 38 13.210 -21.014 -4.080 1.00 64.45 H new ATOM 0 HG21 VAL A 38 12.051 -19.907 -1.445 1.00 31.31 H new ATOM 0 HG22 VAL A 38 13.561 -19.318 -2.179 1.00 31.31 H new ATOM 0 HG23 VAL A 38 12.248 -18.176 -1.808 1.00 31.31 H new ATOM 595 N THR A 39 10.634 -18.332 -6.095 1.00 52.05 N ATOM 596 CA THR A 39 9.958 -18.542 -7.370 1.00 21.05 C ATOM 597 C THR A 39 10.786 -17.998 -8.528 1.00 5.34 C ATOM 598 O THR A 39 10.821 -18.585 -9.609 1.00 13.15 O ATOM 599 CB THR A 39 8.571 -17.873 -7.387 1.00 33.04 C ATOM 600 OG1 THR A 39 7.993 -17.976 -8.693 1.00 3.20 O ATOM 601 CG2 THR A 39 8.671 -16.409 -6.985 1.00 32.34 C ATOM 0 H THR A 39 10.053 -17.903 -5.375 1.00 52.05 H new ATOM 0 HA THR A 39 9.836 -19.619 -7.489 1.00 21.05 H new ATOM 0 HB THR A 39 7.935 -18.388 -6.667 1.00 33.04 H new ATOM 0 HG1 THR A 39 7.111 -17.550 -8.695 1.00 3.20 H new ATOM 0 HG21 THR A 39 7.679 -15.958 -7.004 1.00 32.34 H new ATOM 0 HG22 THR A 39 9.084 -16.335 -5.979 1.00 32.34 H new ATOM 0 HG23 THR A 39 9.322 -15.884 -7.683 1.00 32.34 H new ATOM 609 N ALA A 40 11.454 -16.872 -8.294 1.00 74.21 N ATOM 610 CA ALA A 40 12.284 -16.250 -9.318 1.00 24.34 C ATOM 611 C ALA A 40 13.476 -17.134 -9.669 1.00 61.44 C ATOM 612 O ALA A 40 13.876 -17.221 -10.830 1.00 52.41 O ATOM 613 CB ALA A 40 12.759 -14.882 -8.852 1.00 43.22 C ATOM 0 H ALA A 40 11.436 -16.373 -7.405 1.00 74.21 H new ATOM 0 HA ALA A 40 11.679 -16.126 -10.216 1.00 24.34 H new ATOM 0 HB1 ALA A 40 13.378 -14.429 -9.626 1.00 43.22 H new ATOM 0 HB2 ALA A 40 11.897 -14.244 -8.657 1.00 43.22 H new ATOM 0 HB3 ALA A 40 13.343 -14.991 -7.938 1.00 43.22 H new ATOM 619 N ALA A 41 14.040 -17.789 -8.659 1.00 72.15 N ATOM 620 CA ALA A 41 15.185 -18.668 -8.863 1.00 10.41 C ATOM 621 C ALA A 41 14.762 -19.980 -9.515 1.00 15.45 C ATOM 622 O ALA A 41 15.440 -20.487 -10.407 1.00 3.14 O ATOM 623 CB ALA A 41 15.886 -18.935 -7.539 1.00 63.55 C ATOM 0 H ALA A 41 13.723 -17.727 -7.692 1.00 72.15 H new ATOM 0 HA ALA A 41 15.881 -18.168 -9.536 1.00 10.41 H new ATOM 0 HB1 ALA A 41 16.739 -19.593 -7.705 1.00 63.55 H new ATOM 0 HB2 ALA A 41 16.232 -17.993 -7.114 1.00 63.55 H new ATOM 0 HB3 ALA A 41 15.190 -19.411 -6.848 1.00 63.55 H new ATOM 629 N GLU A 42 13.636 -20.524 -9.062 1.00 41.30 N ATOM 630 CA GLU A 42 13.124 -21.778 -9.601 1.00 62.12 C ATOM 631 C GLU A 42 12.791 -21.637 -11.084 1.00 22.43 C ATOM 632 O GLU A 42 13.224 -22.443 -11.908 1.00 41.45 O ATOM 633 CB GLU A 42 11.881 -22.222 -8.828 1.00 13.42 C ATOM 634 CG GLU A 42 12.184 -22.730 -7.428 1.00 75.13 C ATOM 635 CD GLU A 42 11.457 -24.022 -7.107 1.00 42.21 C ATOM 636 OE1 GLU A 42 10.238 -23.966 -6.843 1.00 74.14 O ATOM 637 OE2 GLU A 42 12.108 -25.088 -7.119 1.00 55.30 O ATOM 0 H GLU A 42 13.062 -20.116 -8.324 1.00 41.30 H new ATOM 0 HA GLU A 42 13.901 -22.535 -9.491 1.00 62.12 H new ATOM 0 HB2 GLU A 42 11.188 -21.384 -8.759 1.00 13.42 H new ATOM 0 HB3 GLU A 42 11.376 -23.008 -9.389 1.00 13.42 H new ATOM 0 HG2 GLU A 42 13.258 -22.887 -7.327 1.00 75.13 H new ATOM 0 HG3 GLU A 42 11.903 -21.969 -6.700 1.00 75.13 H new ATOM 644 N LYS A 43 12.018 -20.609 -11.415 1.00 43.24 N ATOM 645 CA LYS A 43 11.626 -20.360 -12.798 1.00 4.04 C ATOM 646 C LYS A 43 12.853 -20.189 -13.689 1.00 34.05 C ATOM 647 O LYS A 43 12.786 -20.403 -14.898 1.00 71.14 O ATOM 648 CB LYS A 43 10.743 -19.113 -12.882 1.00 44.13 C ATOM 649 CG LYS A 43 9.431 -19.345 -13.610 1.00 74.40 C ATOM 650 CD LYS A 43 8.241 -19.194 -12.677 1.00 22.54 C ATOM 651 CE LYS A 43 6.996 -18.750 -13.428 1.00 51.40 C ATOM 652 NZ LYS A 43 6.526 -17.410 -12.979 1.00 11.13 N ATOM 0 H LYS A 43 11.650 -19.934 -10.745 1.00 43.24 H new ATOM 0 HA LYS A 43 11.061 -21.223 -13.151 1.00 4.04 H new ATOM 0 HB2 LYS A 43 10.531 -18.759 -11.873 1.00 44.13 H new ATOM 0 HB3 LYS A 43 11.295 -18.321 -13.388 1.00 44.13 H new ATOM 0 HG2 LYS A 43 9.341 -18.637 -14.434 1.00 74.40 H new ATOM 0 HG3 LYS A 43 9.428 -20.344 -14.047 1.00 74.40 H new ATOM 0 HD2 LYS A 43 8.047 -20.143 -12.177 1.00 22.54 H new ATOM 0 HD3 LYS A 43 8.477 -18.467 -11.900 1.00 22.54 H new ATOM 0 HE2 LYS A 43 7.208 -18.721 -14.497 1.00 51.40 H new ATOM 0 HE3 LYS A 43 6.202 -19.482 -13.280 1.00 51.40 H new ATOM 0 HZ1 LYS A 43 5.676 -17.143 -13.515 1.00 11.13 H new ATOM 0 HZ2 LYS A 43 6.300 -17.443 -11.964 1.00 11.13 H new ATOM 0 HZ3 LYS A 43 7.274 -16.707 -13.144 1.00 11.13 H new ATOM 666 N GLU A 44 13.971 -19.804 -13.081 1.00 53.44 N ATOM 667 CA GLU A 44 15.211 -19.605 -13.821 1.00 65.22 C ATOM 668 C GLU A 44 16.185 -20.753 -13.570 1.00 35.45 C ATOM 669 O GLU A 44 15.822 -21.770 -12.979 1.00 32.13 O ATOM 670 CB GLU A 44 15.860 -18.277 -13.426 1.00 50.21 C ATOM 671 CG GLU A 44 14.924 -17.085 -13.540 1.00 21.14 C ATOM 672 CD GLU A 44 14.720 -16.638 -14.974 1.00 71.32 C ATOM 673 OE1 GLU A 44 15.665 -16.775 -15.779 1.00 12.51 O ATOM 674 OE2 GLU A 44 13.614 -16.152 -15.292 1.00 20.32 O ATOM 0 H GLU A 44 14.043 -19.624 -12.080 1.00 53.44 H new ATOM 0 HA GLU A 44 14.969 -19.581 -14.884 1.00 65.22 H new ATOM 0 HB2 GLU A 44 16.220 -18.349 -12.400 1.00 50.21 H new ATOM 0 HB3 GLU A 44 16.731 -18.106 -14.058 1.00 50.21 H new ATOM 0 HG2 GLU A 44 13.959 -17.342 -13.103 1.00 21.14 H new ATOM 0 HG3 GLU A 44 15.326 -16.255 -12.959 1.00 21.14 H new ATOM 681 N ALA A 45 17.422 -20.583 -14.023 1.00 50.31 N ATOM 682 CA ALA A 45 18.448 -21.603 -13.846 1.00 51.14 C ATOM 683 C ALA A 45 19.827 -21.063 -14.208 1.00 43.22 C ATOM 684 O ALA A 45 20.728 -21.024 -13.370 1.00 44.55 O ATOM 685 CB ALA A 45 18.122 -22.830 -14.686 1.00 5.42 C ATOM 0 H ALA A 45 17.738 -19.748 -14.516 1.00 50.31 H new ATOM 0 HA ALA A 45 18.464 -21.889 -12.794 1.00 51.14 H new ATOM 0 HB1 ALA A 45 18.896 -23.584 -14.544 1.00 5.42 H new ATOM 0 HB2 ALA A 45 17.159 -23.237 -14.378 1.00 5.42 H new ATOM 0 HB3 ALA A 45 18.077 -22.549 -15.738 1.00 5.42 H new ATOM 691 N SER A 46 19.985 -20.648 -15.461 1.00 65.11 N ATOM 692 CA SER A 46 21.257 -20.114 -15.935 1.00 21.41 C ATOM 693 C SER A 46 21.406 -18.645 -15.551 1.00 63.24 C ATOM 694 O SER A 46 21.599 -17.786 -16.411 1.00 4.33 O ATOM 695 CB SER A 46 21.366 -20.271 -17.453 1.00 1.41 C ATOM 696 OG SER A 46 20.665 -21.418 -17.899 1.00 74.22 O ATOM 0 H SER A 46 19.248 -20.671 -16.166 1.00 65.11 H new ATOM 0 HA SER A 46 22.060 -20.678 -15.461 1.00 21.41 H new ATOM 0 HB2 SER A 46 20.966 -19.383 -17.943 1.00 1.41 H new ATOM 0 HB3 SER A 46 22.415 -20.348 -17.739 1.00 1.41 H new ATOM 0 HG SER A 46 20.749 -21.495 -18.872 1.00 74.22 H new ATOM 702 N GLN A 47 21.315 -18.366 -14.255 1.00 60.41 N ATOM 703 CA GLN A 47 21.439 -17.001 -13.757 1.00 70.53 C ATOM 704 C GLN A 47 22.368 -16.945 -12.549 1.00 71.01 C ATOM 705 O GLN A 47 22.215 -17.712 -11.598 1.00 54.20 O ATOM 706 CB GLN A 47 20.064 -16.445 -13.385 1.00 33.24 C ATOM 707 CG GLN A 47 19.954 -14.937 -13.544 1.00 74.54 C ATOM 708 CD GLN A 47 19.515 -14.529 -14.937 1.00 13.44 C ATOM 709 OE1 GLN A 47 20.305 -14.550 -15.881 1.00 21.14 O ATOM 710 NE2 GLN A 47 18.248 -14.153 -15.072 1.00 63.00 N ATOM 0 H GLN A 47 21.156 -19.067 -13.531 1.00 60.41 H new ATOM 0 HA GLN A 47 21.868 -16.389 -14.550 1.00 70.53 H new ATOM 0 HB2 GLN A 47 19.307 -16.924 -14.007 1.00 33.24 H new ATOM 0 HB3 GLN A 47 19.842 -16.710 -12.351 1.00 33.24 H new ATOM 0 HG2 GLN A 47 19.243 -14.549 -12.815 1.00 74.54 H new ATOM 0 HG3 GLN A 47 20.919 -14.480 -13.323 1.00 74.54 H new ATOM 0 HE21 GLN A 47 17.628 -14.151 -14.262 1.00 63.00 H new ATOM 0 HE22 GLN A 47 17.896 -13.867 -15.985 1.00 63.00 H new ATOM 719 N LYS A 48 23.332 -16.032 -12.593 1.00 24.23 N ATOM 720 CA LYS A 48 24.287 -15.874 -11.502 1.00 13.13 C ATOM 721 C LYS A 48 23.600 -15.331 -10.253 1.00 10.23 C ATOM 722 O LYS A 48 23.952 -15.695 -9.131 1.00 12.14 O ATOM 723 CB LYS A 48 25.421 -14.937 -11.921 1.00 44.52 C ATOM 724 CG LYS A 48 25.992 -15.249 -13.294 1.00 3.24 C ATOM 725 CD LYS A 48 27.511 -15.292 -13.269 1.00 60.01 C ATOM 726 CE LYS A 48 28.022 -16.582 -12.646 1.00 11.24 C ATOM 727 NZ LYS A 48 29.309 -16.378 -11.925 1.00 42.23 N ATOM 0 H LYS A 48 23.473 -15.390 -13.373 1.00 24.23 H new ATOM 0 HA LYS A 48 24.702 -16.855 -11.270 1.00 13.13 H new ATOM 0 HB2 LYS A 48 25.054 -13.911 -11.914 1.00 44.52 H new ATOM 0 HB3 LYS A 48 26.221 -14.995 -11.182 1.00 44.52 H new ATOM 0 HG2 LYS A 48 25.606 -16.207 -13.641 1.00 3.24 H new ATOM 0 HG3 LYS A 48 25.660 -14.495 -14.007 1.00 3.24 H new ATOM 0 HD2 LYS A 48 27.895 -15.200 -14.285 1.00 60.01 H new ATOM 0 HD3 LYS A 48 27.891 -14.439 -12.706 1.00 60.01 H new ATOM 0 HE2 LYS A 48 27.276 -16.971 -11.954 1.00 11.24 H new ATOM 0 HE3 LYS A 48 28.157 -17.333 -13.425 1.00 11.24 H new ATOM 0 HZ1 LYS A 48 29.624 -17.280 -11.515 1.00 42.23 H new ATOM 0 HZ2 LYS A 48 30.029 -16.030 -12.591 1.00 42.23 H new ATOM 0 HZ3 LYS A 48 29.175 -15.681 -11.165 1.00 42.23 H new ATOM 741 N VAL A 49 22.617 -14.459 -10.455 1.00 4.41 N ATOM 742 CA VAL A 49 21.879 -13.867 -9.345 1.00 64.50 C ATOM 743 C VAL A 49 20.939 -14.884 -8.707 1.00 51.32 C ATOM 744 O VAL A 49 20.670 -14.828 -7.507 1.00 62.21 O ATOM 745 CB VAL A 49 21.062 -12.645 -9.802 1.00 44.54 C ATOM 746 CG1 VAL A 49 21.983 -11.480 -10.133 1.00 4.14 C ATOM 747 CG2 VAL A 49 20.192 -13.002 -10.998 1.00 22.43 C ATOM 0 H VAL A 49 22.313 -14.147 -11.377 1.00 4.41 H new ATOM 0 HA VAL A 49 22.617 -13.546 -8.609 1.00 64.50 H new ATOM 0 HB VAL A 49 20.409 -12.341 -8.984 1.00 44.54 H new ATOM 0 HG11 VAL A 49 21.388 -10.625 -10.454 1.00 4.14 H new ATOM 0 HG12 VAL A 49 22.559 -11.209 -9.248 1.00 4.14 H new ATOM 0 HG13 VAL A 49 22.663 -11.770 -10.934 1.00 4.14 H new ATOM 0 HG21 VAL A 49 19.622 -12.126 -11.307 1.00 22.43 H new ATOM 0 HG22 VAL A 49 20.824 -13.333 -11.822 1.00 22.43 H new ATOM 0 HG23 VAL A 49 19.506 -13.803 -10.723 1.00 22.43 H new ATOM 757 N ARG A 50 20.442 -15.812 -9.518 1.00 54.11 N ATOM 758 CA ARG A 50 19.530 -16.841 -9.033 1.00 60.11 C ATOM 759 C ARG A 50 20.096 -17.529 -7.795 1.00 24.34 C ATOM 760 O ARG A 50 19.353 -17.922 -6.896 1.00 43.51 O ATOM 761 CB ARG A 50 19.266 -17.876 -10.129 1.00 13.44 C ATOM 762 CG ARG A 50 18.510 -19.100 -9.640 1.00 71.51 C ATOM 763 CD ARG A 50 19.355 -20.359 -9.756 1.00 32.40 C ATOM 764 NE ARG A 50 20.094 -20.638 -8.527 1.00 55.13 N ATOM 765 CZ ARG A 50 20.826 -21.731 -8.341 1.00 55.35 C ATOM 766 NH1 ARG A 50 20.917 -22.642 -9.300 1.00 34.53 N ATOM 767 NH2 ARG A 50 21.469 -21.913 -7.195 1.00 51.23 N ATOM 0 H ARG A 50 20.655 -15.872 -10.514 1.00 54.11 H new ATOM 0 HA ARG A 50 18.590 -16.360 -8.763 1.00 60.11 H new ATOM 0 HB2 ARG A 50 18.699 -17.406 -10.932 1.00 13.44 H new ATOM 0 HB3 ARG A 50 20.218 -18.193 -10.555 1.00 13.44 H new ATOM 0 HG2 ARG A 50 18.212 -18.954 -8.602 1.00 71.51 H new ATOM 0 HG3 ARG A 50 17.595 -19.220 -10.220 1.00 71.51 H new ATOM 0 HD2 ARG A 50 18.712 -21.207 -9.992 1.00 32.40 H new ATOM 0 HD3 ARG A 50 20.056 -20.250 -10.584 1.00 32.40 H new ATOM 0 HE ARG A 50 20.045 -19.956 -7.770 1.00 55.13 H new ATOM 0 HH11 ARG A 50 20.425 -22.504 -10.183 1.00 34.53 H new ATOM 0 HH12 ARG A 50 21.480 -23.480 -9.155 1.00 34.53 H new ATOM 0 HH21 ARG A 50 21.402 -21.213 -6.456 1.00 51.23 H new ATOM 0 HH22 ARG A 50 22.031 -22.752 -7.053 1.00 51.23 H new ATOM 781 N ASN A 51 21.417 -17.673 -7.755 1.00 41.45 N ATOM 782 CA ASN A 51 22.083 -18.314 -6.628 1.00 22.40 C ATOM 783 C ASN A 51 22.046 -17.420 -5.393 1.00 12.42 C ATOM 784 O ASN A 51 21.927 -17.903 -4.266 1.00 3.31 O ATOM 785 CB ASN A 51 23.533 -18.647 -6.987 1.00 51.21 C ATOM 786 CG ASN A 51 24.159 -19.627 -6.014 1.00 63.12 C ATOM 787 OD1 ASN A 51 23.654 -20.732 -5.817 1.00 71.25 O ATOM 788 ND2 ASN A 51 25.266 -19.225 -5.400 1.00 30.21 N ATOM 0 H ASN A 51 22.047 -17.354 -8.491 1.00 41.45 H new ATOM 0 HA ASN A 51 21.550 -19.238 -6.402 1.00 22.40 H new ATOM 0 HB2 ASN A 51 23.568 -19.065 -7.993 1.00 51.21 H new ATOM 0 HB3 ASN A 51 24.121 -17.729 -7.002 1.00 51.21 H new ATOM 0 HD21 ASN A 51 25.733 -19.841 -4.734 1.00 30.21 H new ATOM 0 HD22 ASN A 51 25.650 -18.300 -5.594 1.00 30.21 H new ATOM 795 N LEU A 52 22.147 -16.113 -5.612 1.00 61.43 N ATOM 796 CA LEU A 52 22.124 -15.150 -4.517 1.00 42.45 C ATOM 797 C LEU A 52 20.700 -14.925 -4.020 1.00 0.43 C ATOM 798 O LEU A 52 20.474 -14.705 -2.829 1.00 25.32 O ATOM 799 CB LEU A 52 22.735 -13.821 -4.968 1.00 72.42 C ATOM 800 CG LEU A 52 23.347 -12.956 -3.866 1.00 41.13 C ATOM 801 CD1 LEU A 52 24.460 -13.708 -3.153 1.00 33.21 C ATOM 802 CD2 LEU A 52 23.870 -11.648 -4.444 1.00 34.55 C ATOM 0 H LEU A 52 22.246 -15.696 -6.538 1.00 61.43 H new ATOM 0 HA LEU A 52 22.716 -15.555 -3.696 1.00 42.45 H new ATOM 0 HB2 LEU A 52 23.507 -14.032 -5.708 1.00 72.42 H new ATOM 0 HB3 LEU A 52 21.962 -13.240 -5.471 1.00 72.42 H new ATOM 0 HG LEU A 52 22.569 -12.724 -3.138 1.00 41.13 H new ATOM 0 HD11 LEU A 52 24.884 -13.076 -2.372 1.00 33.21 H new ATOM 0 HD12 LEU A 52 24.057 -14.617 -2.706 1.00 33.21 H new ATOM 0 HD13 LEU A 52 25.239 -13.971 -3.869 1.00 33.21 H new ATOM 0 HD21 LEU A 52 24.302 -11.045 -3.646 1.00 34.55 H new ATOM 0 HD22 LEU A 52 24.634 -11.860 -5.192 1.00 34.55 H new ATOM 0 HD23 LEU A 52 23.049 -11.101 -4.908 1.00 34.55 H new ATOM 814 N LEU A 53 19.742 -14.982 -4.938 1.00 71.51 N ATOM 815 CA LEU A 53 18.338 -14.787 -4.593 1.00 21.45 C ATOM 816 C LEU A 53 17.876 -15.833 -3.582 1.00 54.44 C ATOM 817 O LEU A 53 17.136 -15.523 -2.647 1.00 72.34 O ATOM 818 CB LEU A 53 17.469 -14.856 -5.849 1.00 72.53 C ATOM 819 CG LEU A 53 17.288 -13.544 -6.614 1.00 24.44 C ATOM 820 CD1 LEU A 53 17.782 -13.688 -8.045 1.00 21.12 C ATOM 821 CD2 LEU A 53 15.830 -13.111 -6.592 1.00 10.44 C ATOM 0 H LEU A 53 19.912 -15.162 -5.928 1.00 71.51 H new ATOM 0 HA LEU A 53 18.234 -13.800 -4.141 1.00 21.45 H new ATOM 0 HB2 LEU A 53 17.903 -15.591 -6.527 1.00 72.53 H new ATOM 0 HB3 LEU A 53 16.484 -15.226 -5.565 1.00 72.53 H new ATOM 0 HG LEU A 53 17.882 -12.774 -6.122 1.00 24.44 H new ATOM 0 HD11 LEU A 53 17.645 -12.745 -8.574 1.00 21.12 H new ATOM 0 HD12 LEU A 53 18.840 -13.951 -8.040 1.00 21.12 H new ATOM 0 HD13 LEU A 53 17.216 -14.472 -8.548 1.00 21.12 H new ATOM 0 HD21 LEU A 53 15.720 -12.176 -7.141 1.00 10.44 H new ATOM 0 HD22 LEU A 53 15.215 -13.880 -7.059 1.00 10.44 H new ATOM 0 HD23 LEU A 53 15.509 -12.966 -5.560 1.00 10.44 H new ATOM 833 N LEU A 54 18.318 -17.070 -3.775 1.00 74.35 N ATOM 834 CA LEU A 54 17.951 -18.162 -2.880 1.00 21.02 C ATOM 835 C LEU A 54 18.737 -18.083 -1.575 1.00 12.22 C ATOM 836 O LEU A 54 18.160 -18.122 -0.487 1.00 62.24 O ATOM 837 CB LEU A 54 18.201 -19.510 -3.558 1.00 63.10 C ATOM 838 CG LEU A 54 17.435 -19.760 -4.858 1.00 5.03 C ATOM 839 CD1 LEU A 54 18.282 -20.567 -5.830 1.00 4.24 C ATOM 840 CD2 LEU A 54 16.121 -20.473 -4.574 1.00 3.31 C ATOM 0 H LEU A 54 18.931 -17.342 -4.543 1.00 74.35 H new ATOM 0 HA LEU A 54 16.889 -18.070 -2.650 1.00 21.02 H new ATOM 0 HB2 LEU A 54 19.267 -19.597 -3.766 1.00 63.10 H new ATOM 0 HB3 LEU A 54 17.948 -20.301 -2.853 1.00 63.10 H new ATOM 0 HG LEU A 54 17.211 -18.797 -5.316 1.00 5.03 H new ATOM 0 HD11 LEU A 54 17.721 -20.735 -6.749 1.00 4.24 H new ATOM 0 HD12 LEU A 54 19.196 -20.019 -6.058 1.00 4.24 H new ATOM 0 HD13 LEU A 54 18.537 -21.526 -5.380 1.00 4.24 H new ATOM 0 HD21 LEU A 54 15.589 -20.643 -5.510 1.00 3.31 H new ATOM 0 HD22 LEU A 54 16.323 -21.430 -4.093 1.00 3.31 H new ATOM 0 HD23 LEU A 54 15.508 -19.858 -3.915 1.00 3.31 H new ATOM 852 N HIS A 55 20.056 -17.969 -1.690 1.00 42.23 N ATOM 853 CA HIS A 55 20.921 -17.881 -0.519 1.00 43.13 C ATOM 854 C HIS A 55 20.505 -16.719 0.378 1.00 73.40 C ATOM 855 O HIS A 55 20.398 -16.868 1.595 1.00 23.55 O ATOM 856 CB HIS A 55 22.379 -17.712 -0.948 1.00 23.23 C ATOM 857 CG HIS A 55 23.362 -18.004 0.144 1.00 21.50 C ATOM 858 ND1 HIS A 55 24.407 -17.162 0.462 1.00 72.45 N ATOM 859 CD2 HIS A 55 23.454 -19.053 0.995 1.00 13.24 C ATOM 860 CE1 HIS A 55 25.100 -17.681 1.460 1.00 54.13 C ATOM 861 NE2 HIS A 55 24.542 -18.828 1.803 1.00 53.15 N ATOM 0 H HIS A 55 20.549 -17.935 -2.582 1.00 42.23 H new ATOM 0 HA HIS A 55 20.821 -18.807 0.047 1.00 43.13 H new ATOM 0 HB2 HIS A 55 22.580 -18.372 -1.792 1.00 23.23 H new ATOM 0 HB3 HIS A 55 22.530 -16.691 -1.298 1.00 23.23 H new ATOM 0 HD2 HIS A 55 22.795 -19.908 1.032 1.00 13.24 H new ATOM 0 HE1 HIS A 55 25.974 -17.242 1.918 1.00 54.13 H new ATOM 0 HE2 HIS A 55 24.866 -19.446 2.547 1.00 53.15 H new ATOM 869 N LYS A 56 20.271 -15.562 -0.231 1.00 52.12 N ATOM 870 CA LYS A 56 19.865 -14.374 0.511 1.00 24.32 C ATOM 871 C LYS A 56 18.439 -14.519 1.033 1.00 24.31 C ATOM 872 O LYS A 56 18.089 -13.962 2.072 1.00 13.41 O ATOM 873 CB LYS A 56 19.971 -13.132 -0.376 1.00 61.13 C ATOM 874 CG LYS A 56 21.401 -12.737 -0.701 1.00 42.33 C ATOM 875 CD LYS A 56 21.478 -11.321 -1.247 1.00 51.32 C ATOM 876 CE LYS A 56 21.473 -10.291 -0.128 1.00 13.20 C ATOM 877 NZ LYS A 56 21.992 -8.972 -0.585 1.00 72.13 N ATOM 0 H LYS A 56 20.356 -15.421 -1.238 1.00 52.12 H new ATOM 0 HA LYS A 56 20.535 -14.262 1.363 1.00 24.32 H new ATOM 0 HB2 LYS A 56 19.433 -13.313 -1.306 1.00 61.13 H new ATOM 0 HB3 LYS A 56 19.476 -12.297 0.121 1.00 61.13 H new ATOM 0 HG2 LYS A 56 22.014 -12.816 0.197 1.00 42.33 H new ATOM 0 HG3 LYS A 56 21.815 -13.433 -1.431 1.00 42.33 H new ATOM 0 HD2 LYS A 56 22.384 -11.208 -1.843 1.00 51.32 H new ATOM 0 HD3 LYS A 56 20.634 -11.140 -1.913 1.00 51.32 H new ATOM 0 HE2 LYS A 56 20.458 -10.170 0.250 1.00 13.20 H new ATOM 0 HE3 LYS A 56 22.081 -10.653 0.701 1.00 13.20 H new ATOM 0 HZ1 LYS A 56 21.972 -8.298 0.207 1.00 72.13 H new ATOM 0 HZ2 LYS A 56 22.970 -9.082 -0.922 1.00 72.13 H new ATOM 0 HZ3 LYS A 56 21.397 -8.614 -1.359 1.00 72.13 H new ATOM 891 N GLY A 57 17.621 -15.273 0.305 1.00 22.52 N ATOM 892 CA GLY A 57 16.243 -15.479 0.712 1.00 64.02 C ATOM 893 C GLY A 57 16.128 -16.343 1.952 1.00 14.31 C ATOM 894 O GLY A 57 15.454 -15.974 2.915 1.00 42.25 O ATOM 0 H GLY A 57 17.888 -15.745 -0.559 1.00 22.52 H new ATOM 0 HA2 GLY A 57 15.775 -14.513 0.901 1.00 64.02 H new ATOM 0 HA3 GLY A 57 15.692 -15.946 -0.105 1.00 64.02 H new ATOM 898 N LYS A 58 16.785 -17.497 1.930 1.00 34.44 N ATOM 899 CA LYS A 58 16.753 -18.418 3.061 1.00 11.40 C ATOM 900 C LYS A 58 17.412 -17.795 4.288 1.00 65.44 C ATOM 901 O LYS A 58 17.126 -18.182 5.420 1.00 23.31 O ATOM 902 CB LYS A 58 17.457 -19.727 2.699 1.00 24.11 C ATOM 903 CG LYS A 58 18.882 -19.536 2.207 1.00 14.21 C ATOM 904 CD LYS A 58 19.859 -19.411 3.364 1.00 41.23 C ATOM 905 CE LYS A 58 20.867 -20.550 3.367 1.00 32.14 C ATOM 906 NZ LYS A 58 21.533 -20.697 4.691 1.00 20.10 N ATOM 0 H LYS A 58 17.347 -17.818 1.141 1.00 34.44 H new ATOM 0 HA LYS A 58 15.710 -18.628 3.298 1.00 11.40 H new ATOM 0 HB2 LYS A 58 17.468 -20.378 3.573 1.00 24.11 H new ATOM 0 HB3 LYS A 58 16.881 -20.238 1.928 1.00 24.11 H new ATOM 0 HG2 LYS A 58 19.167 -20.380 1.578 1.00 14.21 H new ATOM 0 HG3 LYS A 58 18.937 -18.642 1.585 1.00 14.21 H new ATOM 0 HD2 LYS A 58 20.385 -18.459 3.297 1.00 41.23 H new ATOM 0 HD3 LYS A 58 19.311 -19.406 4.306 1.00 41.23 H new ATOM 0 HE2 LYS A 58 20.363 -21.481 3.108 1.00 32.14 H new ATOM 0 HE3 LYS A 58 21.620 -20.371 2.599 1.00 32.14 H new ATOM 0 HZ1 LYS A 58 22.212 -21.483 4.652 1.00 20.10 H new ATOM 0 HZ2 LYS A 58 22.035 -19.817 4.927 1.00 20.10 H new ATOM 0 HZ3 LYS A 58 20.817 -20.893 5.420 1.00 20.10 H new ATOM 920 N GLU A 59 18.295 -16.829 4.053 1.00 31.14 N ATOM 921 CA GLU A 59 18.994 -16.154 5.141 1.00 53.35 C ATOM 922 C GLU A 59 18.100 -15.101 5.790 1.00 4.23 C ATOM 923 O GLU A 59 17.794 -15.179 6.980 1.00 2.12 O ATOM 924 CB GLU A 59 20.277 -15.501 4.624 1.00 42.34 C ATOM 925 CG GLU A 59 21.537 -16.274 4.974 1.00 64.00 C ATOM 926 CD GLU A 59 21.865 -16.216 6.453 1.00 1.13 C ATOM 927 OE1 GLU A 59 22.049 -15.097 6.976 1.00 43.40 O ATOM 928 OE2 GLU A 59 21.938 -17.289 7.088 1.00 12.42 O ATOM 0 H GLU A 59 18.543 -16.497 3.121 1.00 31.14 H new ATOM 0 HA GLU A 59 19.252 -16.900 5.892 1.00 53.35 H new ATOM 0 HB2 GLU A 59 20.212 -15.400 3.541 1.00 42.34 H new ATOM 0 HB3 GLU A 59 20.353 -14.494 5.034 1.00 42.34 H new ATOM 0 HG2 GLU A 59 21.416 -17.315 4.673 1.00 64.00 H new ATOM 0 HG3 GLU A 59 22.375 -15.873 4.404 1.00 64.00 H new ATOM 935 N VAL A 60 17.686 -14.116 5.000 1.00 11.51 N ATOM 936 CA VAL A 60 16.828 -13.047 5.497 1.00 54.21 C ATOM 937 C VAL A 60 15.612 -13.611 6.224 1.00 61.13 C ATOM 938 O VAL A 60 15.093 -12.998 7.158 1.00 43.04 O ATOM 939 CB VAL A 60 16.350 -12.133 4.353 1.00 75.23 C ATOM 940 CG1 VAL A 60 15.459 -12.904 3.390 1.00 23.21 C ATOM 941 CG2 VAL A 60 15.621 -10.919 4.910 1.00 61.44 C ATOM 0 H VAL A 60 17.931 -14.036 4.013 1.00 11.51 H new ATOM 0 HA VAL A 60 17.425 -12.461 6.195 1.00 54.21 H new ATOM 0 HB VAL A 60 17.223 -11.783 3.802 1.00 75.23 H new ATOM 0 HG11 VAL A 60 15.131 -12.242 2.589 1.00 23.21 H new ATOM 0 HG12 VAL A 60 16.018 -13.738 2.966 1.00 23.21 H new ATOM 0 HG13 VAL A 60 14.589 -13.285 3.925 1.00 23.21 H new ATOM 0 HG21 VAL A 60 15.290 -10.284 4.088 1.00 61.44 H new ATOM 0 HG22 VAL A 60 14.756 -11.247 5.486 1.00 61.44 H new ATOM 0 HG23 VAL A 60 16.294 -10.355 5.556 1.00 61.44 H new ATOM 951 N LEU A 61 15.162 -14.783 5.790 1.00 70.21 N ATOM 952 CA LEU A 61 14.006 -15.432 6.400 1.00 65.34 C ATOM 953 C LEU A 61 14.316 -15.865 7.829 1.00 23.01 C ATOM 954 O LEU A 61 13.486 -15.718 8.725 1.00 22.14 O ATOM 955 CB LEU A 61 13.580 -16.644 5.569 1.00 41.11 C ATOM 956 CG LEU A 61 12.351 -16.450 4.681 1.00 52.44 C ATOM 957 CD1 LEU A 61 12.664 -15.498 3.536 1.00 20.04 C ATOM 958 CD2 LEU A 61 11.863 -17.788 4.145 1.00 14.23 C ATOM 0 H LEU A 61 15.579 -15.303 5.018 1.00 70.21 H new ATOM 0 HA LEU A 61 13.188 -14.712 6.427 1.00 65.34 H new ATOM 0 HB2 LEU A 61 14.418 -16.938 4.937 1.00 41.11 H new ATOM 0 HB3 LEU A 61 13.386 -17.475 6.248 1.00 41.11 H new ATOM 0 HG LEU A 61 11.557 -16.011 5.285 1.00 52.44 H new ATOM 0 HD11 LEU A 61 11.777 -15.372 2.915 1.00 20.04 H new ATOM 0 HD12 LEU A 61 12.965 -14.531 3.939 1.00 20.04 H new ATOM 0 HD13 LEU A 61 13.474 -15.908 2.933 1.00 20.04 H new ATOM 0 HD21 LEU A 61 10.988 -17.630 3.515 1.00 14.23 H new ATOM 0 HD22 LEU A 61 12.654 -18.255 3.557 1.00 14.23 H new ATOM 0 HD23 LEU A 61 11.598 -18.439 4.978 1.00 14.23 H new ATOM 970 N GLU A 62 15.517 -16.397 8.034 1.00 44.12 N ATOM 971 CA GLU A 62 15.937 -16.849 9.355 1.00 34.31 C ATOM 972 C GLU A 62 16.430 -15.678 10.200 1.00 61.30 C ATOM 973 O GLU A 62 16.355 -15.710 11.428 1.00 35.22 O ATOM 974 CB GLU A 62 17.039 -17.904 9.232 1.00 54.42 C ATOM 975 CG GLU A 62 16.512 -19.325 9.122 1.00 1.43 C ATOM 976 CD GLU A 62 16.622 -20.090 10.427 1.00 50.31 C ATOM 977 OE1 GLU A 62 15.729 -19.929 11.285 1.00 1.23 O ATOM 978 OE2 GLU A 62 17.600 -20.848 10.590 1.00 61.52 O ATOM 0 H GLU A 62 16.216 -16.525 7.302 1.00 44.12 H new ATOM 0 HA GLU A 62 15.073 -17.293 9.850 1.00 34.31 H new ATOM 0 HB2 GLU A 62 17.647 -17.682 8.355 1.00 54.42 H new ATOM 0 HB3 GLU A 62 17.695 -17.835 10.100 1.00 54.42 H new ATOM 0 HG2 GLU A 62 15.469 -19.298 8.807 1.00 1.43 H new ATOM 0 HG3 GLU A 62 17.065 -19.855 8.347 1.00 1.43 H new ATOM 985 N TRP A 63 16.935 -14.647 9.533 1.00 63.12 N ATOM 986 CA TRP A 63 17.442 -13.466 10.222 1.00 41.42 C ATOM 987 C TRP A 63 16.296 -12.591 10.717 1.00 12.05 C ATOM 988 O TRP A 63 16.283 -12.165 11.872 1.00 51.53 O ATOM 989 CB TRP A 63 18.351 -12.659 9.293 1.00 53.22 C ATOM 990 CG TRP A 63 19.671 -12.309 9.910 1.00 62.42 C ATOM 991 CD1 TRP A 63 20.756 -13.128 10.042 1.00 22.11 C ATOM 992 CD2 TRP A 63 20.044 -11.050 10.480 1.00 63.13 C ATOM 993 NE1 TRP A 63 21.782 -12.453 10.660 1.00 35.50 N ATOM 994 CE2 TRP A 63 21.370 -11.177 10.938 1.00 44.32 C ATOM 995 CE3 TRP A 63 19.388 -9.827 10.646 1.00 64.44 C ATOM 996 CZ2 TRP A 63 22.049 -10.127 11.551 1.00 62.01 C ATOM 997 CZ3 TRP A 63 20.063 -8.787 11.255 1.00 44.33 C ATOM 998 CH2 TRP A 63 21.383 -8.941 11.701 1.00 73.34 C ATOM 0 H TRP A 63 17.004 -14.605 8.516 1.00 63.12 H new ATOM 0 HA TRP A 63 18.019 -13.799 11.085 1.00 41.42 H new ATOM 0 HB2 TRP A 63 18.524 -13.230 8.381 1.00 53.22 H new ATOM 0 HB3 TRP A 63 17.839 -11.742 9.003 1.00 53.22 H new ATOM 0 HD1 TRP A 63 20.801 -14.155 9.710 1.00 22.11 H new ATOM 0 HE1 TRP A 63 22.701 -12.840 10.876 1.00 35.50 H new ATOM 0 HE3 TRP A 63 18.372 -9.697 10.304 1.00 64.44 H new ATOM 0 HZ2 TRP A 63 23.066 -10.245 11.896 1.00 62.01 H new ATOM 0 HZ3 TRP A 63 19.565 -7.838 11.390 1.00 44.33 H new ATOM 0 HH2 TRP A 63 21.884 -8.108 12.172 1.00 73.34 H new ATOM 1009 N ALA A 64 15.335 -12.328 9.838 1.00 51.30 N ATOM 1010 CA ALA A 64 14.183 -11.506 10.188 1.00 43.50 C ATOM 1011 C ALA A 64 13.499 -12.027 11.447 1.00 3.54 C ATOM 1012 O ALA A 64 12.961 -11.252 12.238 1.00 44.34 O ATOM 1013 CB ALA A 64 13.197 -11.458 9.030 1.00 20.54 C ATOM 0 H ALA A 64 15.331 -12.672 8.878 1.00 51.30 H new ATOM 0 HA ALA A 64 14.537 -10.495 10.391 1.00 43.50 H new ATOM 0 HB1 ALA A 64 12.342 -10.841 9.306 1.00 20.54 H new ATOM 0 HB2 ALA A 64 13.685 -11.031 8.154 1.00 20.54 H new ATOM 0 HB3 ALA A 64 12.857 -12.468 8.800 1.00 20.54 H new ATOM 1019 N GLU A 65 13.524 -13.344 11.627 1.00 54.51 N ATOM 1020 CA GLU A 65 12.904 -13.967 12.790 1.00 12.23 C ATOM 1021 C GLU A 65 13.773 -13.786 14.032 1.00 74.22 C ATOM 1022 O GLU A 65 13.270 -13.750 15.155 1.00 33.14 O ATOM 1023 CB GLU A 65 12.666 -15.456 12.533 1.00 63.22 C ATOM 1024 CG GLU A 65 11.753 -15.731 11.350 1.00 64.42 C ATOM 1025 CD GLU A 65 11.690 -17.204 10.992 1.00 50.52 C ATOM 1026 OE1 GLU A 65 12.626 -17.692 10.325 1.00 61.04 O ATOM 1027 OE2 GLU A 65 10.705 -17.867 11.378 1.00 2.21 O ATOM 0 H GLU A 65 13.967 -13.999 10.983 1.00 54.51 H new ATOM 0 HA GLU A 65 11.945 -13.478 12.964 1.00 12.23 H new ATOM 0 HB2 GLU A 65 13.625 -15.944 12.362 1.00 63.22 H new ATOM 0 HB3 GLU A 65 12.234 -15.906 13.427 1.00 63.22 H new ATOM 0 HG2 GLU A 65 10.749 -15.373 11.580 1.00 64.42 H new ATOM 0 HG3 GLU A 65 12.103 -15.166 10.486 1.00 64.42 H new ATOM 1034 N HIS A 66 15.080 -13.674 13.821 1.00 42.14 N ATOM 1035 CA HIS A 66 16.020 -13.497 14.922 1.00 60.20 C ATOM 1036 C HIS A 66 15.786 -12.165 15.627 1.00 1.42 C ATOM 1037 O HIS A 66 15.607 -12.118 16.845 1.00 2.20 O ATOM 1038 CB HIS A 66 17.459 -13.571 14.409 1.00 14.54 C ATOM 1039 CG HIS A 66 18.164 -14.837 14.785 1.00 64.13 C ATOM 1040 ND1 HIS A 66 17.513 -16.042 14.948 1.00 41.51 N ATOM 1041 CD2 HIS A 66 19.473 -15.083 15.027 1.00 1.13 C ATOM 1042 CE1 HIS A 66 18.390 -16.973 15.276 1.00 5.04 C ATOM 1043 NE2 HIS A 66 19.587 -16.417 15.331 1.00 65.22 N ATOM 0 H HIS A 66 15.513 -13.703 12.898 1.00 42.14 H new ATOM 0 HA HIS A 66 15.857 -14.301 15.640 1.00 60.20 H new ATOM 0 HB2 HIS A 66 17.454 -13.476 13.323 1.00 14.54 H new ATOM 0 HB3 HIS A 66 18.020 -12.722 14.801 1.00 14.54 H new ATOM 0 HD2 HIS A 66 20.278 -14.364 14.988 1.00 1.13 H new ATOM 0 HE1 HIS A 66 18.167 -18.012 15.467 1.00 5.04 H new ATOM 0 HE2 HIS A 66 20.455 -16.900 15.562 1.00 65.22 H new ATOM 1051 N LEU A 67 15.789 -11.084 14.855 1.00 5.31 N ATOM 1052 CA LEU A 67 15.578 -9.749 15.406 1.00 63.42 C ATOM 1053 C LEU A 67 14.134 -9.572 15.864 1.00 43.41 C ATOM 1054 O LEU A 67 13.867 -8.897 16.858 1.00 74.23 O ATOM 1055 CB LEU A 67 15.930 -8.685 14.365 1.00 72.02 C ATOM 1056 CG LEU A 67 14.915 -8.487 13.239 1.00 52.44 C ATOM 1057 CD1 LEU A 67 13.944 -7.369 13.586 1.00 13.11 C ATOM 1058 CD2 LEU A 67 15.625 -8.189 11.926 1.00 25.43 C ATOM 0 H LEU A 67 15.935 -11.105 13.846 1.00 5.31 H new ATOM 0 HA LEU A 67 16.231 -9.631 16.271 1.00 63.42 H new ATOM 0 HB2 LEU A 67 16.063 -7.733 14.879 1.00 72.02 H new ATOM 0 HB3 LEU A 67 16.891 -8.944 13.920 1.00 72.02 H new ATOM 0 HG LEU A 67 14.348 -9.411 13.121 1.00 52.44 H new ATOM 0 HD11 LEU A 67 13.229 -7.243 12.773 1.00 13.11 H new ATOM 0 HD12 LEU A 67 13.410 -7.622 14.502 1.00 13.11 H new ATOM 0 HD13 LEU A 67 14.496 -6.440 13.732 1.00 13.11 H new ATOM 0 HD21 LEU A 67 14.887 -8.051 11.136 1.00 25.43 H new ATOM 0 HD22 LEU A 67 16.218 -7.280 12.031 1.00 25.43 H new ATOM 0 HD23 LEU A 67 16.280 -9.022 11.669 1.00 25.43 H new ATOM 1070 N ALA A 68 13.208 -10.183 15.133 1.00 33.13 N ATOM 1071 CA ALA A 68 11.791 -10.096 15.467 1.00 5.01 C ATOM 1072 C ALA A 68 11.510 -10.715 16.832 1.00 0.31 C ATOM 1073 O ALA A 68 10.643 -10.246 17.568 1.00 33.25 O ATOM 1074 CB ALA A 68 10.954 -10.776 14.394 1.00 33.04 C ATOM 0 H ALA A 68 13.413 -10.744 14.306 1.00 33.13 H new ATOM 0 HA ALA A 68 11.517 -9.042 15.512 1.00 5.01 H new ATOM 0 HB1 ALA A 68 9.898 -10.704 14.656 1.00 33.04 H new ATOM 0 HB2 ALA A 68 11.124 -10.287 13.435 1.00 33.04 H new ATOM 0 HB3 ALA A 68 11.239 -11.826 14.321 1.00 33.04 H new ATOM 1080 N GLU A 69 12.248 -11.770 17.162 1.00 4.32 N ATOM 1081 CA GLU A 69 12.076 -12.453 18.439 1.00 52.31 C ATOM 1082 C GLU A 69 12.809 -11.714 19.555 1.00 42.13 C ATOM 1083 O GLU A 69 12.485 -11.867 20.732 1.00 32.03 O ATOM 1084 CB GLU A 69 12.585 -13.893 18.345 1.00 11.42 C ATOM 1085 CG GLU A 69 11.657 -14.817 17.575 1.00 63.20 C ATOM 1086 CD GLU A 69 10.845 -15.718 18.484 1.00 33.34 C ATOM 1087 OE1 GLU A 69 11.405 -16.716 18.985 1.00 4.21 O ATOM 1088 OE2 GLU A 69 9.649 -15.427 18.695 1.00 0.22 O ATOM 0 H GLU A 69 12.970 -12.170 16.563 1.00 4.32 H new ATOM 0 HA GLU A 69 11.012 -12.466 18.674 1.00 52.31 H new ATOM 0 HB2 GLU A 69 13.564 -13.893 17.866 1.00 11.42 H new ATOM 0 HB3 GLU A 69 12.723 -14.287 19.352 1.00 11.42 H new ATOM 0 HG2 GLU A 69 10.981 -14.219 16.964 1.00 63.20 H new ATOM 0 HG3 GLU A 69 12.245 -15.431 16.893 1.00 63.20 H new ATOM 1095 N TRP A 70 13.799 -10.914 19.175 1.00 12.21 N ATOM 1096 CA TRP A 70 14.579 -10.151 20.143 1.00 22.52 C ATOM 1097 C TRP A 70 13.671 -9.489 21.174 1.00 63.33 C ATOM 1098 O TRP A 70 14.019 -9.396 22.351 1.00 33.54 O ATOM 1099 CB TRP A 70 15.420 -9.091 19.430 1.00 71.42 C ATOM 1100 CG TRP A 70 16.676 -8.735 20.166 1.00 13.22 C ATOM 1101 CD1 TRP A 70 17.879 -9.376 20.093 1.00 61.52 C ATOM 1102 CD2 TRP A 70 16.851 -7.654 21.088 1.00 12.25 C ATOM 1103 NE1 TRP A 70 18.792 -8.759 20.914 1.00 73.40 N ATOM 1104 CE2 TRP A 70 18.186 -7.699 21.535 1.00 30.42 C ATOM 1105 CE3 TRP A 70 16.011 -6.651 21.579 1.00 54.42 C ATOM 1106 CZ2 TRP A 70 18.697 -6.781 22.449 1.00 73.14 C ATOM 1107 CZ3 TRP A 70 16.519 -5.740 22.486 1.00 71.25 C ATOM 1108 CH2 TRP A 70 17.852 -5.810 22.912 1.00 12.33 C ATOM 0 H TRP A 70 14.080 -10.777 18.204 1.00 12.21 H new ATOM 0 HA TRP A 70 15.243 -10.842 20.662 1.00 22.52 H new ATOM 0 HB2 TRP A 70 15.680 -9.453 18.435 1.00 71.42 H new ATOM 0 HB3 TRP A 70 14.819 -8.192 19.295 1.00 71.42 H new ATOM 0 HD1 TRP A 70 18.083 -10.241 19.480 1.00 61.52 H new ATOM 0 HE1 TRP A 70 19.763 -9.044 21.040 1.00 73.40 H new ATOM 0 HE3 TRP A 70 14.983 -6.589 21.255 1.00 54.42 H new ATOM 0 HZ2 TRP A 70 19.724 -6.834 22.780 1.00 73.14 H new ATOM 0 HZ3 TRP A 70 15.878 -4.962 22.873 1.00 71.25 H new ATOM 0 HH2 TRP A 70 18.220 -5.082 23.620 1.00 12.33 H new ATOM 1119 N ILE A 71 12.508 -9.031 20.724 1.00 42.04 N ATOM 1120 CA ILE A 71 11.551 -8.379 21.608 1.00 12.32 C ATOM 1121 C ILE A 71 11.291 -9.220 22.853 1.00 21.12 C ATOM 1122 O ILE A 71 11.255 -8.702 23.970 1.00 54.40 O ATOM 1123 CB ILE A 71 10.213 -8.114 20.893 1.00 71.32 C ATOM 1124 CG1 ILE A 71 9.663 -9.412 20.296 1.00 45.40 C ATOM 1125 CG2 ILE A 71 10.390 -7.060 19.810 1.00 25.40 C ATOM 1126 CD1 ILE A 71 8.502 -9.198 19.351 1.00 43.45 C ATOM 0 H ILE A 71 12.206 -9.100 19.752 1.00 42.04 H new ATOM 0 HA ILE A 71 11.992 -7.426 21.901 1.00 12.32 H new ATOM 0 HB ILE A 71 9.496 -7.739 21.623 1.00 71.32 H new ATOM 0 HG12 ILE A 71 10.464 -9.926 19.764 1.00 45.40 H new ATOM 0 HG13 ILE A 71 9.346 -10.069 21.106 1.00 45.40 H new ATOM 0 HG21 ILE A 71 9.435 -6.884 19.314 1.00 25.40 H new ATOM 0 HG22 ILE A 71 10.742 -6.132 20.260 1.00 25.40 H new ATOM 0 HG23 ILE A 71 11.120 -7.408 19.079 1.00 25.40 H new ATOM 0 HD11 ILE A 71 8.164 -10.160 18.966 1.00 43.45 H new ATOM 0 HD12 ILE A 71 7.684 -8.712 19.883 1.00 43.45 H new ATOM 0 HD13 ILE A 71 8.820 -8.567 18.521 1.00 43.45 H new ATOM 1138 N LEU A 72 11.113 -10.521 22.654 1.00 33.44 N ATOM 1139 CA LEU A 72 10.858 -11.437 23.761 1.00 2.34 C ATOM 1140 C LEU A 72 12.124 -11.666 24.580 1.00 24.23 C ATOM 1141 O LEU A 72 12.080 -11.713 25.809 1.00 12.21 O ATOM 1142 CB LEU A 72 10.329 -12.772 23.234 1.00 44.40 C ATOM 1143 CG LEU A 72 9.140 -12.691 22.277 1.00 72.24 C ATOM 1144 CD1 LEU A 72 9.498 -13.296 20.928 1.00 1.10 C ATOM 1145 CD2 LEU A 72 7.928 -13.392 22.872 1.00 35.13 C ATOM 0 H LEU A 72 11.140 -10.966 21.737 1.00 33.44 H new ATOM 0 HA LEU A 72 10.105 -10.986 24.408 1.00 2.34 H new ATOM 0 HB2 LEU A 72 11.144 -13.288 22.726 1.00 44.40 H new ATOM 0 HB3 LEU A 72 10.043 -13.389 24.086 1.00 44.40 H new ATOM 0 HG LEU A 72 8.890 -11.641 22.127 1.00 72.24 H new ATOM 0 HD11 LEU A 72 8.639 -13.229 20.260 1.00 1.10 H new ATOM 0 HD12 LEU A 72 10.337 -12.751 20.496 1.00 1.10 H new ATOM 0 HD13 LEU A 72 9.774 -14.342 21.060 1.00 1.10 H new ATOM 0 HD21 LEU A 72 7.091 -13.324 22.177 1.00 35.13 H new ATOM 0 HD22 LEU A 72 8.166 -14.440 23.052 1.00 35.13 H new ATOM 0 HD23 LEU A 72 7.657 -12.914 23.814 1.00 35.13 H new ATOM 1157 N GLU A 73 13.252 -11.807 23.890 1.00 1.44 N ATOM 1158 CA GLU A 73 14.531 -12.030 24.555 1.00 53.41 C ATOM 1159 C GLU A 73 14.832 -10.909 25.546 1.00 53.44 C ATOM 1160 O GLU A 73 15.495 -11.124 26.561 1.00 53.41 O ATOM 1161 CB GLU A 73 15.656 -12.129 23.523 1.00 23.33 C ATOM 1162 CG GLU A 73 16.825 -12.987 23.978 1.00 31.25 C ATOM 1163 CD GLU A 73 16.820 -14.364 23.343 1.00 44.22 C ATOM 1164 OE1 GLU A 73 15.919 -15.165 23.667 1.00 51.32 O ATOM 1165 OE2 GLU A 73 17.719 -14.640 22.521 1.00 41.25 O ATOM 0 H GLU A 73 13.306 -11.771 22.872 1.00 1.44 H new ATOM 0 HA GLU A 73 14.467 -12.969 25.104 1.00 53.41 H new ATOM 0 HB2 GLU A 73 15.253 -12.540 22.597 1.00 23.33 H new ATOM 0 HB3 GLU A 73 16.019 -11.127 23.296 1.00 23.33 H new ATOM 0 HG2 GLU A 73 17.759 -12.481 23.733 1.00 31.25 H new ATOM 0 HG3 GLU A 73 16.794 -13.091 25.063 1.00 31.25 H new ATOM 1172 N HIS A 74 14.340 -9.711 25.243 1.00 61.32 N ATOM 1173 CA HIS A 74 14.556 -8.556 26.106 1.00 0.40 C ATOM 1174 C HIS A 74 14.142 -8.865 27.542 1.00 53.35 C ATOM 1175 O HIS A 74 14.487 -8.132 28.469 1.00 51.52 O ATOM 1176 CB HIS A 74 13.773 -7.350 25.585 1.00 31.12 C ATOM 1177 CG HIS A 74 14.345 -6.034 26.014 1.00 55.21 C ATOM 1178 ND1 HIS A 74 15.646 -5.659 25.756 1.00 3.14 N ATOM 1179 CD2 HIS A 74 13.783 -5.001 26.685 1.00 71.11 C ATOM 1180 CE1 HIS A 74 15.861 -4.453 26.252 1.00 62.30 C ATOM 1181 NE2 HIS A 74 14.746 -4.032 26.820 1.00 10.43 N ATOM 0 H HIS A 74 13.790 -9.516 24.407 1.00 61.32 H new ATOM 0 HA HIS A 74 15.620 -8.320 26.096 1.00 0.40 H new ATOM 0 HB2 HIS A 74 13.746 -7.388 24.496 1.00 31.12 H new ATOM 0 HB3 HIS A 74 12.742 -7.419 25.932 1.00 31.12 H new ATOM 0 HD2 HIS A 74 12.767 -4.949 27.047 1.00 71.11 H new ATOM 0 HE1 HIS A 74 16.790 -3.905 26.201 1.00 62.30 H new ATOM 0 HE2 HIS A 74 14.620 -3.132 27.284 1.00 10.43 H new