USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=6 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 -33:sc= 0.292 USER MOD Single : A 16 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.011) USER MOD Single : A 19 ASN : amide:sc= -1.81! C(o=-1.8!,f=-7!) 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=-0.0067) 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=-0.29) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 55 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0.165 (180deg=-0.113) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.407 K(o=0.41,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 6.750 -5.580 -2.695 1.00 24.02 N ATOM 26 CA THR A 3 8.184 -5.639 -2.951 1.00 72.14 C ATOM 27 C THR A 3 8.940 -6.156 -1.733 1.00 33.22 C ATOM 28 O THR A 3 8.555 -5.890 -0.594 1.00 21.54 O ATOM 29 CB THR A 3 8.742 -4.257 -3.340 1.00 25.15 C ATOM 30 OG1 THR A 3 8.215 -3.252 -2.466 1.00 74.43 O ATOM 31 CG2 THR A 3 8.394 -3.918 -4.781 1.00 14.42 C ATOM 0 HA THR A 3 8.328 -6.328 -3.783 1.00 72.14 H new ATOM 0 HB THR A 3 9.827 -4.288 -3.244 1.00 25.15 H new ATOM 0 HG1 THR A 3 7.305 -3.497 -2.197 1.00 74.43 H new ATOM 0 HG21 THR A 3 8.799 -2.938 -5.032 1.00 14.42 H new ATOM 0 HG22 THR A 3 8.823 -4.669 -5.445 1.00 14.42 H new ATOM 0 HG23 THR A 3 7.311 -3.905 -4.900 1.00 14.42 H new ATOM 39 N ILE A 4 10.016 -6.895 -1.980 1.00 2.33 N ATOM 40 CA ILE A 4 10.827 -7.447 -0.901 1.00 73.25 C ATOM 41 C ILE A 4 11.224 -6.365 0.097 1.00 64.40 C ATOM 42 O ILE A 4 11.201 -6.585 1.308 1.00 22.31 O ATOM 43 CB ILE A 4 12.100 -8.123 -1.444 1.00 2.42 C ATOM 44 CG1 ILE A 4 11.734 -9.246 -2.415 1.00 75.24 C ATOM 45 CG2 ILE A 4 12.944 -8.660 -0.297 1.00 74.45 C ATOM 46 CD1 ILE A 4 10.840 -10.304 -1.806 1.00 65.34 C ATOM 0 H ILE A 4 10.347 -7.125 -2.917 1.00 2.33 H new ATOM 0 HA ILE A 4 10.215 -8.195 -0.397 1.00 73.25 H new ATOM 0 HB ILE A 4 12.686 -7.380 -1.984 1.00 2.42 H new ATOM 0 HG12 ILE A 4 11.235 -8.816 -3.283 1.00 75.24 H new ATOM 0 HG13 ILE A 4 12.649 -9.718 -2.774 1.00 75.24 H new ATOM 0 HG21 ILE A 4 13.840 -9.135 -0.696 1.00 74.45 H new ATOM 0 HG22 ILE A 4 13.230 -7.838 0.360 1.00 74.45 H new ATOM 0 HG23 ILE A 4 12.367 -9.392 0.268 1.00 74.45 H new ATOM 0 HD11 ILE A 4 10.621 -11.069 -2.551 1.00 65.34 H new ATOM 0 HD12 ILE A 4 11.345 -10.761 -0.955 1.00 65.34 H new ATOM 0 HD13 ILE A 4 9.909 -9.846 -1.472 1.00 65.34 H new ATOM 58 N ASP A 5 11.587 -5.196 -0.419 1.00 63.41 N ATOM 59 CA ASP A 5 11.987 -4.078 0.427 1.00 23.11 C ATOM 60 C ASP A 5 10.926 -3.789 1.484 1.00 72.50 C ATOM 61 O ASP A 5 11.237 -3.320 2.579 1.00 41.13 O ATOM 62 CB ASP A 5 12.232 -2.830 -0.422 1.00 53.14 C ATOM 63 CG ASP A 5 13.584 -2.200 -0.151 1.00 32.33 C ATOM 64 OD1 ASP A 5 14.597 -2.734 -0.648 1.00 50.14 O ATOM 65 OD2 ASP A 5 13.629 -1.174 0.560 1.00 31.43 O ATOM 0 H ASP A 5 11.612 -4.998 -1.419 1.00 63.41 H new ATOM 0 HA ASP A 5 12.913 -4.351 0.933 1.00 23.11 H new ATOM 0 HB2 ASP A 5 12.162 -3.093 -1.477 1.00 53.14 H new ATOM 0 HB3 ASP A 5 11.448 -2.099 -0.223 1.00 53.14 H new ATOM 70 N ASP A 6 9.672 -4.072 1.148 1.00 20.33 N ATOM 71 CA ASP A 6 8.564 -3.843 2.068 1.00 30.23 C ATOM 72 C ASP A 6 8.706 -4.708 3.317 1.00 64.23 C ATOM 73 O ASP A 6 8.316 -4.304 4.412 1.00 64.03 O ATOM 74 CB ASP A 6 7.231 -4.137 1.378 1.00 21.32 C ATOM 75 CG ASP A 6 6.144 -3.160 1.779 1.00 53.33 C ATOM 76 OD1 ASP A 6 5.613 -3.290 2.901 1.00 20.43 O ATOM 77 OD2 ASP A 6 5.823 -2.264 0.969 1.00 33.31 O ATOM 0 H ASP A 6 9.398 -4.460 0.246 1.00 20.33 H new ATOM 0 HA ASP A 6 8.585 -2.796 2.369 1.00 30.23 H new ATOM 0 HB2 ASP A 6 7.369 -4.100 0.297 1.00 21.32 H new ATOM 0 HB3 ASP A 6 6.914 -5.150 1.624 1.00 21.32 H new ATOM 82 N ALA A 7 9.267 -5.901 3.143 1.00 14.23 N ATOM 83 CA ALA A 7 9.461 -6.822 4.256 1.00 62.54 C ATOM 84 C ALA A 7 10.476 -6.273 5.253 1.00 72.13 C ATOM 85 O ALA A 7 10.227 -6.251 6.458 1.00 21.03 O ATOM 86 CB ALA A 7 9.907 -8.183 3.742 1.00 61.43 C ATOM 0 H ALA A 7 9.595 -6.251 2.243 1.00 14.23 H new ATOM 0 HA ALA A 7 8.508 -6.934 4.773 1.00 62.54 H new ATOM 0 HB1 ALA A 7 10.048 -8.861 4.583 1.00 61.43 H new ATOM 0 HB2 ALA A 7 9.146 -8.587 3.074 1.00 61.43 H new ATOM 0 HB3 ALA A 7 10.847 -8.077 3.200 1.00 61.43 H new ATOM 92 N PHE A 8 11.620 -5.831 4.742 1.00 3.23 N ATOM 93 CA PHE A 8 12.674 -5.283 5.589 1.00 53.22 C ATOM 94 C PHE A 8 12.226 -3.976 6.237 1.00 50.13 C ATOM 95 O PHE A 8 12.631 -3.654 7.354 1.00 42.23 O ATOM 96 CB PHE A 8 13.945 -5.050 4.770 1.00 24.04 C ATOM 97 CG PHE A 8 14.305 -6.205 3.880 1.00 50.11 C ATOM 98 CD1 PHE A 8 14.225 -7.507 4.346 1.00 72.31 C ATOM 99 CD2 PHE A 8 14.723 -5.988 2.577 1.00 75.13 C ATOM 100 CE1 PHE A 8 14.556 -8.572 3.529 1.00 51.43 C ATOM 101 CE2 PHE A 8 15.055 -7.049 1.755 1.00 55.44 C ATOM 102 CZ PHE A 8 14.970 -8.342 2.231 1.00 20.12 C ATOM 0 H PHE A 8 11.841 -5.841 3.746 1.00 3.23 H new ATOM 0 HA PHE A 8 12.885 -6.005 6.378 1.00 53.22 H new ATOM 0 HB2 PHE A 8 13.815 -4.157 4.158 1.00 24.04 H new ATOM 0 HB3 PHE A 8 14.774 -4.853 5.449 1.00 24.04 H new ATOM 0 HD1 PHE A 8 13.900 -7.692 5.359 1.00 72.31 H new ATOM 0 HD2 PHE A 8 14.790 -4.979 2.199 1.00 75.13 H new ATOM 0 HE1 PHE A 8 14.491 -9.582 3.905 1.00 51.43 H new ATOM 0 HE2 PHE A 8 15.381 -6.866 0.742 1.00 55.44 H new ATOM 0 HZ PHE A 8 15.227 -9.172 1.590 1.00 20.12 H new ATOM 112 N ARG A 9 11.388 -3.227 5.527 1.00 62.10 N ATOM 113 CA ARG A 9 10.887 -1.954 6.031 1.00 35.51 C ATOM 114 C ARG A 9 9.773 -2.175 7.051 1.00 51.42 C ATOM 115 O ARG A 9 9.623 -1.403 7.998 1.00 65.13 O ATOM 116 CB ARG A 9 10.373 -1.091 4.877 1.00 32.33 C ATOM 117 CG ARG A 9 11.458 -0.676 3.898 1.00 50.34 C ATOM 118 CD ARG A 9 10.867 -0.216 2.574 1.00 1.30 C ATOM 119 NE ARG A 9 11.757 0.701 1.866 1.00 21.14 N ATOM 120 CZ ARG A 9 11.969 1.957 2.243 1.00 20.11 C ATOM 121 NH1 ARG A 9 11.358 2.443 3.315 1.00 45.10 N ATOM 122 NH2 ARG A 9 12.794 2.729 1.547 1.00 14.44 N ATOM 0 H ARG A 9 11.042 -3.480 4.601 1.00 62.10 H new ATOM 0 HA ARG A 9 11.710 -1.437 6.523 1.00 35.51 H new ATOM 0 HB2 ARG A 9 9.601 -1.641 4.339 1.00 32.33 H new ATOM 0 HB3 ARG A 9 9.902 -0.197 5.285 1.00 32.33 H new ATOM 0 HG2 ARG A 9 12.053 0.128 4.331 1.00 50.34 H new ATOM 0 HG3 ARG A 9 12.133 -1.514 3.725 1.00 50.34 H new ATOM 0 HD2 ARG A 9 10.666 -1.084 1.946 1.00 1.30 H new ATOM 0 HD3 ARG A 9 9.911 0.275 2.755 1.00 1.30 H new ATOM 0 HE ARG A 9 12.242 0.358 1.037 1.00 21.14 H new ATOM 0 HH11 ARG A 9 10.724 1.852 3.852 1.00 45.10 H new ATOM 0 HH12 ARG A 9 11.523 3.408 3.602 1.00 45.10 H new ATOM 0 HH21 ARG A 9 13.266 2.358 0.722 1.00 14.44 H new ATOM 0 HH22 ARG A 9 12.956 3.693 1.837 1.00 14.44 H new ATOM 136 N ALA A 10 8.994 -3.232 6.849 1.00 33.33 N ATOM 137 CA ALA A 10 7.895 -3.555 7.751 1.00 1.33 C ATOM 138 C ALA A 10 8.411 -4.173 9.046 1.00 4.22 C ATOM 139 O ALA A 10 7.766 -4.078 10.091 1.00 71.04 O ATOM 140 CB ALA A 10 6.912 -4.495 7.070 1.00 30.45 C ATOM 0 H ALA A 10 9.103 -3.880 6.069 1.00 33.33 H new ATOM 0 HA ALA A 10 7.379 -2.628 8.002 1.00 1.33 H new ATOM 0 HB1 ALA A 10 6.097 -4.728 7.755 1.00 30.45 H new ATOM 0 HB2 ALA A 10 6.510 -4.016 6.177 1.00 30.45 H new ATOM 0 HB3 ALA A 10 7.424 -5.416 6.789 1.00 30.45 H new ATOM 146 N ILE A 11 9.577 -4.806 8.971 1.00 42.25 N ATOM 147 CA ILE A 11 10.179 -5.439 10.137 1.00 3.13 C ATOM 148 C ILE A 11 10.228 -4.478 11.320 1.00 34.14 C ATOM 149 O ILE A 11 10.190 -4.899 12.476 1.00 73.31 O ATOM 150 CB ILE A 11 11.605 -5.936 9.835 1.00 4.51 C ATOM 151 CG1 ILE A 11 11.974 -7.093 10.766 1.00 53.14 C ATOM 152 CG2 ILE A 11 12.604 -4.796 9.977 1.00 60.52 C ATOM 153 CD1 ILE A 11 11.475 -8.437 10.284 1.00 65.50 C ATOM 0 H ILE A 11 10.124 -4.894 8.114 1.00 42.25 H new ATOM 0 HA ILE A 11 9.552 -6.293 10.391 1.00 3.13 H new ATOM 0 HB ILE A 11 11.638 -6.297 8.807 1.00 4.51 H new ATOM 0 HG12 ILE A 11 13.058 -7.133 10.871 1.00 53.14 H new ATOM 0 HG13 ILE A 11 11.565 -6.896 11.757 1.00 53.14 H new ATOM 0 HG21 ILE A 11 13.607 -5.162 9.761 1.00 60.52 H new ATOM 0 HG22 ILE A 11 12.350 -4.000 9.277 1.00 60.52 H new ATOM 0 HG23 ILE A 11 12.571 -4.408 10.995 1.00 60.52 H new ATOM 0 HD11 ILE A 11 11.772 -9.211 10.992 1.00 65.50 H new ATOM 0 HD12 ILE A 11 10.388 -8.415 10.206 1.00 65.50 H new ATOM 0 HD13 ILE A 11 11.905 -8.655 9.306 1.00 65.50 H new ATOM 165 N GLU A 12 10.310 -3.185 11.023 1.00 73.02 N ATOM 166 CA GLU A 12 10.362 -2.164 12.063 1.00 71.31 C ATOM 167 C GLU A 12 9.181 -2.301 13.019 1.00 14.02 C ATOM 168 O GLU A 12 9.344 -2.236 14.238 1.00 60.43 O ATOM 169 CB GLU A 12 10.367 -0.768 11.438 1.00 4.40 C ATOM 170 CG GLU A 12 11.425 0.155 12.020 1.00 41.24 C ATOM 171 CD GLU A 12 11.041 1.619 11.920 1.00 60.21 C ATOM 172 OE1 GLU A 12 10.592 2.041 10.833 1.00 4.05 O ATOM 173 OE2 GLU A 12 11.189 2.342 12.927 1.00 22.42 O ATOM 0 H GLU A 12 10.342 -2.820 10.071 1.00 73.02 H new ATOM 0 HA GLU A 12 11.283 -2.304 12.629 1.00 71.31 H new ATOM 0 HB2 GLU A 12 10.528 -0.860 10.364 1.00 4.40 H new ATOM 0 HB3 GLU A 12 9.386 -0.314 11.575 1.00 4.40 H new ATOM 0 HG2 GLU A 12 11.591 -0.103 13.066 1.00 41.24 H new ATOM 0 HG3 GLU A 12 12.369 -0.006 11.499 1.00 41.24 H new ATOM 180 N ARG A 13 7.991 -2.489 12.457 1.00 30.54 N ATOM 181 CA ARG A 13 6.782 -2.633 13.259 1.00 33.41 C ATOM 182 C ARG A 13 6.854 -3.883 14.132 1.00 11.44 C ATOM 183 O ARG A 13 6.267 -3.931 15.213 1.00 75.43 O ATOM 184 CB ARG A 13 5.550 -2.701 12.355 1.00 52.14 C ATOM 185 CG ARG A 13 4.443 -1.741 12.760 1.00 20.44 C ATOM 186 CD ARG A 13 4.315 -0.590 11.775 1.00 32.21 C ATOM 187 NE ARG A 13 3.152 -0.742 10.905 1.00 51.33 N ATOM 188 CZ ARG A 13 2.628 0.254 10.199 1.00 71.15 C ATOM 189 NH1 ARG A 13 3.161 1.466 10.259 1.00 13.43 N ATOM 190 NH2 ARG A 13 1.569 0.037 9.429 1.00 52.41 N ATOM 0 H ARG A 13 7.839 -2.545 11.450 1.00 30.54 H new ATOM 0 HA ARG A 13 6.701 -1.761 13.908 1.00 33.41 H new ATOM 0 HB2 ARG A 13 5.850 -2.484 11.330 1.00 52.14 H new ATOM 0 HB3 ARG A 13 5.159 -3.718 12.365 1.00 52.14 H new ATOM 0 HG2 ARG A 13 3.497 -2.279 12.818 1.00 20.44 H new ATOM 0 HG3 ARG A 13 4.647 -1.348 13.756 1.00 20.44 H new ATOM 0 HD2 ARG A 13 4.238 0.349 12.323 1.00 32.21 H new ATOM 0 HD3 ARG A 13 5.218 -0.531 11.167 1.00 32.21 H new ATOM 0 HE ARG A 13 2.719 -1.663 10.836 1.00 51.33 H new ATOM 0 HH11 ARG A 13 3.976 1.636 10.848 1.00 13.43 H new ATOM 0 HH12 ARG A 13 2.756 2.229 9.716 1.00 13.43 H new ATOM 0 HH21 ARG A 13 1.157 -0.895 9.379 1.00 52.41 H new ATOM 0 HH22 ARG A 13 1.167 0.802 8.887 1.00 52.41 H new ATOM 204 N ALA A 14 7.578 -4.890 13.656 1.00 33.31 N ATOM 205 CA ALA A 14 7.728 -6.139 14.394 1.00 52.54 C ATOM 206 C ALA A 14 8.540 -5.929 15.667 1.00 64.50 C ATOM 207 O ALA A 14 8.132 -6.348 16.751 1.00 52.33 O ATOM 208 CB ALA A 14 8.382 -7.195 13.515 1.00 34.15 C ATOM 0 H ALA A 14 8.070 -4.866 12.763 1.00 33.31 H new ATOM 0 HA ALA A 14 6.735 -6.486 14.681 1.00 52.54 H new ATOM 0 HB1 ALA A 14 8.488 -8.122 14.078 1.00 34.15 H new ATOM 0 HB2 ALA A 14 7.761 -7.373 12.637 1.00 34.15 H new ATOM 0 HB3 ALA A 14 9.366 -6.847 13.200 1.00 34.15 H new ATOM 214 N ILE A 15 9.692 -5.281 15.529 1.00 70.24 N ATOM 215 CA ILE A 15 10.561 -5.017 16.669 1.00 60.05 C ATOM 216 C ILE A 15 10.000 -3.899 17.540 1.00 14.13 C ATOM 217 O ILE A 15 10.146 -3.919 18.762 1.00 34.21 O ATOM 218 CB ILE A 15 11.983 -4.635 16.216 1.00 72.10 C ATOM 219 CG1 ILE A 15 12.890 -4.430 17.431 1.00 43.14 C ATOM 220 CG2 ILE A 15 11.946 -3.380 15.357 1.00 10.23 C ATOM 221 CD1 ILE A 15 14.065 -5.382 17.475 1.00 42.43 C ATOM 0 H ILE A 15 10.045 -4.929 14.639 1.00 70.24 H new ATOM 0 HA ILE A 15 10.608 -5.938 17.250 1.00 60.05 H new ATOM 0 HB ILE A 15 12.389 -5.450 15.616 1.00 72.10 H new ATOM 0 HG12 ILE A 15 13.263 -3.406 17.428 1.00 43.14 H new ATOM 0 HG13 ILE A 15 12.300 -4.552 18.339 1.00 43.14 H new ATOM 0 HG21 ILE A 15 12.958 -3.123 15.045 1.00 10.23 H new ATOM 0 HG22 ILE A 15 11.329 -3.560 14.476 1.00 10.23 H new ATOM 0 HG23 ILE A 15 11.524 -2.557 15.934 1.00 10.23 H new ATOM 0 HD11 ILE A 15 14.664 -5.179 18.362 1.00 42.43 H new ATOM 0 HD12 ILE A 15 13.700 -6.409 17.510 1.00 42.43 H new ATOM 0 HD13 ILE A 15 14.678 -5.245 16.584 1.00 42.43 H new ATOM 233 N GLN A 16 9.356 -2.926 16.903 1.00 11.04 N ATOM 234 CA GLN A 16 8.771 -1.800 17.622 1.00 43.33 C ATOM 235 C GLN A 16 7.743 -2.279 18.641 1.00 4.14 C ATOM 236 O GLN A 16 7.483 -1.605 19.638 1.00 73.42 O ATOM 237 CB GLN A 16 8.118 -0.826 16.640 1.00 14.41 C ATOM 238 CG GLN A 16 9.062 0.252 16.132 1.00 63.41 C ATOM 239 CD GLN A 16 9.300 1.348 17.152 1.00 53.04 C ATOM 240 OE1 GLN A 16 8.503 2.279 17.277 1.00 70.54 O ATOM 241 NE2 GLN A 16 10.400 1.244 17.888 1.00 51.02 N ATOM 0 H GLN A 16 9.226 -2.895 15.892 1.00 11.04 H new ATOM 0 HA GLN A 16 9.571 -1.286 18.155 1.00 43.33 H new ATOM 0 HB2 GLN A 16 7.729 -1.387 15.790 1.00 14.41 H new ATOM 0 HB3 GLN A 16 7.265 -0.351 17.125 1.00 14.41 H new ATOM 0 HG2 GLN A 16 10.016 -0.203 15.864 1.00 63.41 H new ATOM 0 HG3 GLN A 16 8.651 0.690 15.223 1.00 63.41 H new ATOM 0 HE21 GLN A 16 11.033 0.456 17.751 1.00 51.02 H new ATOM 0 HE22 GLN A 16 10.612 1.952 18.591 1.00 51.02 H new ATOM 250 N ALA A 17 7.163 -3.446 18.385 1.00 75.41 N ATOM 251 CA ALA A 17 6.164 -4.016 19.281 1.00 24.33 C ATOM 252 C ALA A 17 6.680 -4.067 20.716 1.00 72.04 C ATOM 253 O ALA A 17 5.904 -3.978 21.667 1.00 50.45 O ATOM 254 CB ALA A 17 5.767 -5.408 18.812 1.00 55.21 C ATOM 0 H ALA A 17 7.367 -4.016 17.564 1.00 75.41 H new ATOM 0 HA ALA A 17 5.284 -3.373 19.261 1.00 24.33 H new ATOM 0 HB1 ALA A 17 5.021 -5.821 19.490 1.00 55.21 H new ATOM 0 HB2 ALA A 17 5.350 -5.348 17.807 1.00 55.21 H new ATOM 0 HB3 ALA A 17 6.646 -6.053 18.803 1.00 55.21 H new ATOM 260 N GLU A 18 7.993 -4.212 20.863 1.00 50.20 N ATOM 261 CA GLU A 18 8.610 -4.276 22.182 1.00 24.14 C ATOM 262 C GLU A 18 7.934 -5.335 23.049 1.00 50.43 C ATOM 263 O GLU A 18 7.581 -5.078 24.199 1.00 42.41 O ATOM 264 CB GLU A 18 8.535 -2.912 22.872 1.00 31.32 C ATOM 265 CG GLU A 18 9.453 -1.868 22.259 1.00 23.53 C ATOM 266 CD GLU A 18 10.781 -1.762 22.984 1.00 62.34 C ATOM 267 OE1 GLU A 18 11.227 -2.779 23.555 1.00 24.22 O ATOM 268 OE2 GLU A 18 11.374 -0.663 22.979 1.00 32.33 O ATOM 0 H GLU A 18 8.649 -4.287 20.086 1.00 50.20 H new ATOM 0 HA GLU A 18 9.656 -4.552 22.052 1.00 24.14 H new ATOM 0 HB2 GLU A 18 7.508 -2.549 22.831 1.00 31.32 H new ATOM 0 HB3 GLU A 18 8.788 -3.033 23.925 1.00 31.32 H new ATOM 0 HG2 GLU A 18 9.633 -2.117 21.213 1.00 23.53 H new ATOM 0 HG3 GLU A 18 8.956 -0.898 22.275 1.00 23.53 H new ATOM 275 N ASN A 19 7.756 -6.526 22.486 1.00 3.25 N ATOM 276 CA ASN A 19 7.121 -7.624 23.206 1.00 2.34 C ATOM 277 C ASN A 19 5.676 -7.281 23.557 1.00 45.32 C ATOM 278 O ASN A 19 5.418 -6.507 24.478 1.00 4.01 O ATOM 279 CB ASN A 19 7.904 -7.946 24.481 1.00 62.03 C ATOM 280 CG ASN A 19 7.719 -9.384 24.925 1.00 34.01 C ATOM 281 OD1 ASN A 19 8.066 -10.318 24.203 1.00 71.43 O ATOM 282 ND2 ASN A 19 7.168 -9.568 26.120 1.00 41.44 N ATOM 0 H ASN A 19 8.042 -6.755 21.534 1.00 3.25 H new ATOM 0 HA ASN A 19 7.121 -8.499 22.556 1.00 2.34 H new ATOM 0 HB2 ASN A 19 8.964 -7.754 24.312 1.00 62.03 H new ATOM 0 HB3 ASN A 19 7.583 -7.278 25.280 1.00 62.03 H new ATOM 0 HD21 ASN A 19 7.018 -10.513 26.472 1.00 41.44 H new ATOM 0 HD22 ASN A 19 6.895 -8.764 26.685 1.00 41.44 H new ATOM 289 N GLU A 20 4.739 -7.863 22.815 1.00 1.13 N ATOM 290 CA GLU A 20 3.321 -7.618 23.048 1.00 34.32 C ATOM 291 C GLU A 20 2.476 -8.776 22.525 1.00 73.31 C ATOM 292 O GLU A 20 1.519 -9.202 23.170 1.00 33.02 O ATOM 293 CB GLU A 20 2.888 -6.313 22.377 1.00 64.13 C ATOM 294 CG GLU A 20 3.106 -5.083 23.241 1.00 4.40 C ATOM 295 CD GLU A 20 1.859 -4.229 23.366 1.00 23.11 C ATOM 296 OE1 GLU A 20 1.549 -3.487 22.411 1.00 23.00 O ATOM 297 OE2 GLU A 20 1.193 -4.304 24.420 1.00 42.00 O ATOM 0 H GLU A 20 4.936 -8.507 22.049 1.00 1.13 H new ATOM 0 HA GLU A 20 3.166 -7.533 24.124 1.00 34.32 H new ATOM 0 HB2 GLU A 20 3.439 -6.194 21.444 1.00 64.13 H new ATOM 0 HB3 GLU A 20 1.832 -6.381 22.117 1.00 64.13 H new ATOM 0 HG2 GLU A 20 3.430 -5.394 24.234 1.00 4.40 H new ATOM 0 HG3 GLU A 20 3.911 -4.484 22.816 1.00 4.40 H new ATOM 304 N GLY A 21 2.837 -9.281 21.349 1.00 25.32 N ATOM 305 CA GLY A 21 2.103 -10.384 20.758 1.00 31.41 C ATOM 306 C GLY A 21 1.975 -10.255 19.253 1.00 33.32 C ATOM 307 O GLY A 21 1.712 -11.238 18.559 1.00 14.34 O ATOM 0 H GLY A 21 3.625 -8.945 20.795 1.00 25.32 H new ATOM 0 HA2 GLY A 21 2.606 -11.321 20.998 1.00 31.41 H new ATOM 0 HA3 GLY A 21 1.108 -10.433 21.201 1.00 31.41 H new ATOM 311 N ARG A 22 2.159 -9.040 18.747 1.00 22.33 N ATOM 312 CA ARG A 22 2.060 -8.786 17.315 1.00 13.22 C ATOM 313 C ARG A 22 3.343 -9.198 16.599 1.00 34.23 C ATOM 314 O ARG A 22 3.327 -9.516 15.410 1.00 62.11 O ATOM 315 CB ARG A 22 1.772 -7.306 17.057 1.00 4.44 C ATOM 316 CG ARG A 22 0.390 -6.866 17.510 1.00 53.30 C ATOM 317 CD ARG A 22 0.449 -5.569 18.302 1.00 22.13 C ATOM 318 NE ARG A 22 -0.758 -4.766 18.129 1.00 13.02 N ATOM 319 CZ ARG A 22 -1.027 -3.680 18.845 1.00 52.32 C ATOM 320 NH1 ARG A 22 -0.178 -3.269 19.777 1.00 54.22 N ATOM 321 NH2 ARG A 22 -2.147 -3.002 18.628 1.00 11.35 N ATOM 0 H ARG A 22 2.377 -8.216 19.307 1.00 22.33 H new ATOM 0 HA ARG A 22 1.237 -9.383 16.922 1.00 13.22 H new ATOM 0 HB2 ARG A 22 2.522 -6.704 17.570 1.00 4.44 H new ATOM 0 HB3 ARG A 22 1.877 -7.105 15.991 1.00 4.44 H new ATOM 0 HG2 ARG A 22 -0.254 -6.733 16.641 1.00 53.30 H new ATOM 0 HG3 ARG A 22 -0.059 -7.648 18.123 1.00 53.30 H new ATOM 0 HD2 ARG A 22 0.585 -5.796 19.359 1.00 22.13 H new ATOM 0 HD3 ARG A 22 1.317 -4.991 17.986 1.00 22.13 H new ATOM 0 HE ARG A 22 -1.432 -5.055 17.420 1.00 13.02 H new ATOM 0 HH11 ARG A 22 0.684 -3.787 19.946 1.00 54.22 H new ATOM 0 HH12 ARG A 22 -0.387 -2.435 20.325 1.00 54.22 H new ATOM 0 HH21 ARG A 22 -2.802 -3.315 17.911 1.00 11.35 H new ATOM 0 HH22 ARG A 22 -2.353 -2.168 19.178 1.00 11.35 H new ATOM 335 N TYR A 23 4.451 -9.190 17.331 1.00 0.13 N ATOM 336 CA TYR A 23 5.743 -9.560 16.766 1.00 61.01 C ATOM 337 C TYR A 23 5.671 -10.927 16.091 1.00 3.53 C ATOM 338 O TYR A 23 6.406 -11.202 15.143 1.00 60.32 O ATOM 339 CB TYR A 23 6.816 -9.573 17.856 1.00 14.14 C ATOM 340 CG TYR A 23 6.490 -10.488 19.015 1.00 62.30 C ATOM 341 CD1 TYR A 23 6.791 -11.844 18.961 1.00 2.42 C ATOM 342 CD2 TYR A 23 5.882 -9.997 20.164 1.00 25.31 C ATOM 343 CE1 TYR A 23 6.495 -12.684 20.017 1.00 11.51 C ATOM 344 CE2 TYR A 23 5.584 -10.830 21.226 1.00 52.35 C ATOM 345 CZ TYR A 23 5.892 -12.172 21.147 1.00 15.10 C ATOM 346 OH TYR A 23 5.596 -13.005 22.202 1.00 60.14 O ATOM 0 H TYR A 23 4.481 -8.931 18.317 1.00 0.13 H new ATOM 0 HA TYR A 23 6.008 -8.817 16.014 1.00 61.01 H new ATOM 0 HB2 TYR A 23 7.765 -9.881 17.417 1.00 14.14 H new ATOM 0 HB3 TYR A 23 6.953 -8.559 18.232 1.00 14.14 H new ATOM 0 HD1 TYR A 23 7.264 -12.248 18.078 1.00 2.42 H new ATOM 0 HD2 TYR A 23 5.638 -8.947 20.228 1.00 25.31 H new ATOM 0 HE1 TYR A 23 6.734 -13.736 19.958 1.00 11.51 H new ATOM 0 HE2 TYR A 23 5.113 -10.432 22.113 1.00 52.35 H new ATOM 0 HH TYR A 23 5.175 -12.487 22.920 1.00 60.14 H new ATOM 356 N ARG A 24 4.780 -11.778 16.588 1.00 71.11 N ATOM 357 CA ARG A 24 4.611 -13.116 16.035 1.00 61.33 C ATOM 358 C ARG A 24 3.973 -13.056 14.650 1.00 13.20 C ATOM 359 O ARG A 24 4.430 -13.713 13.716 1.00 25.53 O ATOM 360 CB ARG A 24 3.752 -13.972 16.967 1.00 31.11 C ATOM 361 CG ARG A 24 3.351 -15.311 16.369 1.00 50.54 C ATOM 362 CD ARG A 24 1.960 -15.253 15.757 1.00 32.13 C ATOM 363 NE ARG A 24 1.998 -15.349 14.301 1.00 74.15 N ATOM 364 CZ ARG A 24 0.915 -15.498 13.545 1.00 31.15 C ATOM 365 NH1 ARG A 24 -0.284 -15.567 14.107 1.00 73.24 N ATOM 366 NH2 ARG A 24 1.031 -15.578 12.226 1.00 14.40 N ATOM 0 H ARG A 24 4.164 -11.565 17.373 1.00 71.11 H new ATOM 0 HA ARG A 24 5.598 -13.570 15.942 1.00 61.33 H new ATOM 0 HB2 ARG A 24 4.300 -14.147 17.893 1.00 31.11 H new ATOM 0 HB3 ARG A 24 2.851 -13.417 17.229 1.00 31.11 H new ATOM 0 HG2 ARG A 24 4.074 -15.601 15.606 1.00 50.54 H new ATOM 0 HG3 ARG A 24 3.378 -16.079 17.142 1.00 50.54 H new ATOM 0 HD2 ARG A 24 1.354 -16.065 16.158 1.00 32.13 H new ATOM 0 HD3 ARG A 24 1.475 -14.320 16.046 1.00 32.13 H new ATOM 0 HE ARG A 24 2.906 -15.299 13.838 1.00 74.15 H new ATOM 0 HH11 ARG A 24 -0.376 -15.506 15.121 1.00 73.24 H new ATOM 0 HH12 ARG A 24 -1.114 -15.681 13.525 1.00 73.24 H new ATOM 0 HH21 ARG A 24 1.952 -15.525 11.791 1.00 14.40 H new ATOM 0 HH22 ARG A 24 0.199 -15.692 11.647 1.00 14.40 H new ATOM 380 N GLU A 25 2.913 -12.263 14.527 1.00 41.53 N ATOM 381 CA GLU A 25 2.212 -12.118 13.256 1.00 13.15 C ATOM 382 C GLU A 25 3.009 -11.245 12.291 1.00 31.41 C ATOM 383 O GLU A 25 2.877 -11.368 11.074 1.00 51.13 O ATOM 384 CB GLU A 25 0.824 -11.513 13.481 1.00 61.24 C ATOM 385 CG GLU A 25 0.859 -10.085 13.999 1.00 30.44 C ATOM 386 CD GLU A 25 -0.477 -9.382 13.862 1.00 53.03 C ATOM 387 OE1 GLU A 25 -1.519 -10.065 13.952 1.00 22.31 O ATOM 388 OE2 GLU A 25 -0.482 -8.149 13.663 1.00 22.24 O ATOM 0 H GLU A 25 2.521 -11.712 15.291 1.00 41.53 H new ATOM 0 HA GLU A 25 2.102 -13.109 12.815 1.00 13.15 H new ATOM 0 HB2 GLU A 25 0.270 -11.537 12.542 1.00 61.24 H new ATOM 0 HB3 GLU A 25 0.277 -12.134 14.190 1.00 61.24 H new ATOM 0 HG2 GLU A 25 1.157 -10.090 15.048 1.00 30.44 H new ATOM 0 HG3 GLU A 25 1.618 -9.524 13.455 1.00 30.44 H new ATOM 395 N ALA A 26 3.836 -10.364 12.844 1.00 32.22 N ATOM 396 CA ALA A 26 4.655 -9.472 12.033 1.00 23.25 C ATOM 397 C ALA A 26 5.647 -10.259 11.183 1.00 33.00 C ATOM 398 O ALA A 26 5.918 -9.901 10.036 1.00 54.00 O ATOM 399 CB ALA A 26 5.390 -8.479 12.921 1.00 43.41 C ATOM 0 H ALA A 26 3.956 -10.249 13.850 1.00 32.22 H new ATOM 0 HA ALA A 26 3.995 -8.923 11.361 1.00 23.25 H new ATOM 0 HB1 ALA A 26 5.998 -7.819 12.303 1.00 43.41 H new ATOM 0 HB2 ALA A 26 4.666 -7.887 13.481 1.00 43.41 H new ATOM 0 HB3 ALA A 26 6.033 -9.019 13.616 1.00 43.41 H new ATOM 405 N LEU A 27 6.186 -11.332 11.752 1.00 51.43 N ATOM 406 CA LEU A 27 7.149 -12.170 11.045 1.00 11.44 C ATOM 407 C LEU A 27 6.463 -12.987 9.955 1.00 1.41 C ATOM 408 O LEU A 27 7.075 -13.328 8.942 1.00 15.04 O ATOM 409 CB LEU A 27 7.859 -13.103 12.027 1.00 3.14 C ATOM 410 CG LEU A 27 8.895 -12.450 12.944 1.00 72.41 C ATOM 411 CD1 LEU A 27 9.525 -13.487 13.860 1.00 24.53 C ATOM 412 CD2 LEU A 27 9.962 -11.742 12.123 1.00 4.20 C ATOM 0 H LEU A 27 5.973 -11.642 12.700 1.00 51.43 H new ATOM 0 HA LEU A 27 7.885 -11.518 10.575 1.00 11.44 H new ATOM 0 HB2 LEU A 27 7.105 -13.585 12.649 1.00 3.14 H new ATOM 0 HB3 LEU A 27 8.353 -13.890 11.457 1.00 3.14 H new ATOM 0 HG LEU A 27 8.389 -11.708 13.562 1.00 72.41 H new ATOM 0 HD11 LEU A 27 10.259 -13.005 14.505 1.00 24.53 H new ATOM 0 HD12 LEU A 27 8.751 -13.949 14.473 1.00 24.53 H new ATOM 0 HD13 LEU A 27 10.017 -14.252 13.259 1.00 24.53 H new ATOM 0 HD21 LEU A 27 10.691 -11.283 12.791 1.00 4.20 H new ATOM 0 HD22 LEU A 27 10.464 -12.464 11.479 1.00 4.20 H new ATOM 0 HD23 LEU A 27 9.497 -10.971 11.509 1.00 4.20 H new ATOM 424 N LYS A 28 5.189 -13.296 10.168 1.00 55.31 N ATOM 425 CA LYS A 28 4.417 -14.070 9.203 1.00 51.44 C ATOM 426 C LYS A 28 4.506 -13.449 7.812 1.00 15.32 C ATOM 427 O LYS A 28 4.625 -14.157 6.812 1.00 44.43 O ATOM 428 CB LYS A 28 2.953 -14.157 9.641 1.00 24.14 C ATOM 429 CG LYS A 28 2.215 -15.350 9.060 1.00 34.35 C ATOM 430 CD LYS A 28 0.996 -14.917 8.263 1.00 60.33 C ATOM 431 CE LYS A 28 0.123 -16.106 7.889 1.00 44.30 C ATOM 432 NZ LYS A 28 -1.274 -15.693 7.581 1.00 1.22 N ATOM 0 H LYS A 28 4.668 -13.022 11.001 1.00 55.31 H new ATOM 0 HA LYS A 28 4.838 -15.075 9.162 1.00 51.44 H new ATOM 0 HB2 LYS A 28 2.910 -14.209 10.729 1.00 24.14 H new ATOM 0 HB3 LYS A 28 2.439 -13.243 9.345 1.00 24.14 H new ATOM 0 HG2 LYS A 28 2.888 -15.918 8.418 1.00 34.35 H new ATOM 0 HG3 LYS A 28 1.906 -16.016 9.866 1.00 34.35 H new ATOM 0 HD2 LYS A 28 0.412 -14.205 8.847 1.00 60.33 H new ATOM 0 HD3 LYS A 28 1.316 -14.401 7.358 1.00 60.33 H new ATOM 0 HE2 LYS A 28 0.551 -16.613 7.024 1.00 44.30 H new ATOM 0 HE3 LYS A 28 0.117 -16.824 8.709 1.00 44.30 H new ATOM 0 HZ1 LYS A 28 -1.837 -16.531 7.331 1.00 1.22 H new ATOM 0 HZ2 LYS A 28 -1.691 -15.232 8.414 1.00 1.22 H new ATOM 0 HZ3 LYS A 28 -1.271 -15.027 6.782 1.00 1.22 H new ATOM 446 N HIS A 29 4.447 -12.122 7.757 1.00 43.24 N ATOM 447 CA HIS A 29 4.523 -11.406 6.488 1.00 2.32 C ATOM 448 C HIS A 29 5.921 -11.514 5.886 1.00 11.21 C ATOM 449 O HIS A 29 6.090 -11.445 4.669 1.00 64.55 O ATOM 450 CB HIS A 29 4.152 -9.936 6.685 1.00 5.54 C ATOM 451 CG HIS A 29 3.291 -9.383 5.592 1.00 60.22 C ATOM 452 ND1 HIS A 29 2.064 -8.799 5.823 1.00 14.21 N ATOM 453 CD2 HIS A 29 3.487 -9.327 4.254 1.00 54.13 C ATOM 454 CE1 HIS A 29 1.541 -8.409 4.674 1.00 13.44 C ATOM 455 NE2 HIS A 29 2.385 -8.717 3.706 1.00 33.13 N ATOM 0 H HIS A 29 4.347 -11.521 8.575 1.00 43.24 H new ATOM 0 HA HIS A 29 3.813 -11.863 5.798 1.00 2.32 H new ATOM 0 HB2 HIS A 29 3.632 -9.826 7.637 1.00 5.54 H new ATOM 0 HB3 HIS A 29 5.066 -9.345 6.751 1.00 5.54 H new ATOM 0 HD2 HIS A 29 4.349 -9.694 3.717 1.00 54.13 H new ATOM 0 HE1 HIS A 29 0.586 -7.921 4.548 1.00 13.44 H new ATOM 0 HE2 HIS A 29 2.242 -8.532 2.713 1.00 33.13 H new ATOM 463 N PHE A 30 6.919 -11.682 6.747 1.00 63.02 N ATOM 464 CA PHE A 30 8.303 -11.798 6.300 1.00 14.30 C ATOM 465 C PHE A 30 8.518 -13.096 5.527 1.00 12.31 C ATOM 466 O PHE A 30 9.126 -13.100 4.456 1.00 70.40 O ATOM 467 CB PHE A 30 9.254 -11.740 7.497 1.00 70.00 C ATOM 468 CG PHE A 30 10.569 -11.085 7.186 1.00 3.12 C ATOM 469 CD1 PHE A 30 11.608 -11.815 6.631 1.00 11.21 C ATOM 470 CD2 PHE A 30 10.767 -9.739 7.450 1.00 64.02 C ATOM 471 CE1 PHE A 30 12.820 -11.215 6.344 1.00 55.05 C ATOM 472 CE2 PHE A 30 11.976 -9.134 7.164 1.00 45.30 C ATOM 473 CZ PHE A 30 13.004 -9.873 6.611 1.00 2.24 C ATOM 0 H PHE A 30 6.796 -11.741 7.758 1.00 63.02 H new ATOM 0 HA PHE A 30 8.515 -10.961 5.635 1.00 14.30 H new ATOM 0 HB2 PHE A 30 8.770 -11.198 8.309 1.00 70.00 H new ATOM 0 HB3 PHE A 30 9.437 -12.753 7.855 1.00 70.00 H new ATOM 0 HD1 PHE A 30 11.469 -12.865 6.420 1.00 11.21 H new ATOM 0 HD2 PHE A 30 9.968 -9.157 7.884 1.00 64.02 H new ATOM 0 HE1 PHE A 30 13.622 -11.795 5.912 1.00 55.05 H new ATOM 0 HE2 PHE A 30 12.117 -8.084 7.373 1.00 45.30 H new ATOM 0 HZ PHE A 30 13.950 -9.402 6.388 1.00 2.24 H new ATOM 483 N LEU A 31 8.015 -14.195 6.078 1.00 63.22 N ATOM 484 CA LEU A 31 8.152 -15.501 5.442 1.00 41.25 C ATOM 485 C LEU A 31 7.427 -15.531 4.100 1.00 60.41 C ATOM 486 O LEU A 31 7.908 -16.127 3.136 1.00 24.53 O ATOM 487 CB LEU A 31 7.602 -16.596 6.357 1.00 70.14 C ATOM 488 CG LEU A 31 8.251 -16.706 7.737 1.00 73.21 C ATOM 489 CD1 LEU A 31 7.302 -17.374 8.721 1.00 43.33 C ATOM 490 CD2 LEU A 31 9.561 -17.475 7.651 1.00 72.54 C ATOM 0 H LEU A 31 7.509 -14.208 6.963 1.00 63.22 H new ATOM 0 HA LEU A 31 9.212 -15.683 5.266 1.00 41.25 H new ATOM 0 HB2 LEU A 31 6.534 -16.426 6.492 1.00 70.14 H new ATOM 0 HB3 LEU A 31 7.710 -17.554 5.849 1.00 70.14 H new ATOM 0 HG LEU A 31 8.467 -15.700 8.097 1.00 73.21 H new ATOM 0 HD11 LEU A 31 7.781 -17.444 9.698 1.00 43.33 H new ATOM 0 HD12 LEU A 31 6.390 -16.783 8.805 1.00 43.33 H new ATOM 0 HD13 LEU A 31 7.055 -18.374 8.366 1.00 43.33 H new ATOM 0 HD21 LEU A 31 10.009 -17.543 8.643 1.00 72.54 H new ATOM 0 HD22 LEU A 31 9.370 -18.478 7.269 1.00 72.54 H new ATOM 0 HD23 LEU A 31 10.244 -16.955 6.979 1.00 72.54 H new ATOM 502 N ASP A 32 6.269 -14.884 4.045 1.00 54.43 N ATOM 503 CA ASP A 32 5.478 -14.834 2.820 1.00 2.51 C ATOM 504 C ASP A 32 6.143 -13.936 1.781 1.00 74.02 C ATOM 505 O ASP A 32 6.018 -14.164 0.578 1.00 12.33 O ATOM 506 CB ASP A 32 4.066 -14.329 3.120 1.00 52.13 C ATOM 507 CG ASP A 32 3.002 -15.358 2.793 1.00 72.22 C ATOM 508 OD1 ASP A 32 2.709 -16.206 3.662 1.00 63.31 O ATOM 509 OD2 ASP A 32 2.461 -15.315 1.668 1.00 31.13 O ATOM 0 H ASP A 32 5.856 -14.386 4.834 1.00 54.43 H new ATOM 0 HA ASP A 32 5.416 -15.844 2.415 1.00 2.51 H new ATOM 0 HB2 ASP A 32 3.996 -14.060 4.174 1.00 52.13 H new ATOM 0 HB3 ASP A 32 3.878 -13.421 2.546 1.00 52.13 H new ATOM 514 N GLY A 33 6.849 -12.913 2.254 1.00 71.52 N ATOM 515 CA GLY A 33 7.521 -11.996 1.352 1.00 23.34 C ATOM 516 C GLY A 33 8.828 -12.555 0.825 1.00 73.44 C ATOM 517 O GLY A 33 9.272 -12.193 -0.264 1.00 13.32 O ATOM 0 H GLY A 33 6.967 -12.703 3.245 1.00 71.52 H new ATOM 0 HA2 GLY A 33 6.863 -11.768 0.514 1.00 23.34 H new ATOM 0 HA3 GLY A 33 7.714 -11.057 1.871 1.00 23.34 H new ATOM 521 N GLY A 34 9.447 -13.441 1.599 1.00 33.34 N ATOM 522 CA GLY A 34 10.705 -14.036 1.188 1.00 51.34 C ATOM 523 C GLY A 34 10.524 -15.088 0.111 1.00 4.34 C ATOM 524 O GLY A 34 11.246 -15.095 -0.885 1.00 50.53 O ATOM 0 H GLY A 34 9.099 -13.758 2.504 1.00 33.34 H new ATOM 0 HA2 GLY A 34 11.370 -13.255 0.820 1.00 51.34 H new ATOM 0 HA3 GLY A 34 11.190 -14.486 2.054 1.00 51.34 H new ATOM 528 N GLU A 35 9.560 -15.980 0.314 1.00 53.33 N ATOM 529 CA GLU A 35 9.289 -17.043 -0.647 1.00 43.42 C ATOM 530 C GLU A 35 8.901 -16.463 -2.005 1.00 25.24 C ATOM 531 O GLU A 35 8.950 -17.153 -3.023 1.00 24.15 O ATOM 532 CB GLU A 35 8.174 -17.955 -0.132 1.00 53.52 C ATOM 533 CG GLU A 35 8.422 -18.488 1.269 1.00 72.13 C ATOM 534 CD GLU A 35 8.414 -20.003 1.326 1.00 73.32 C ATOM 535 OE1 GLU A 35 7.349 -20.601 1.061 1.00 43.42 O ATOM 536 OE2 GLU A 35 9.471 -20.592 1.635 1.00 14.34 O ATOM 0 H GLU A 35 8.954 -15.988 1.134 1.00 53.33 H new ATOM 0 HA GLU A 35 10.200 -17.629 -0.768 1.00 43.42 H new ATOM 0 HB2 GLU A 35 7.233 -17.405 -0.141 1.00 53.52 H new ATOM 0 HB3 GLU A 35 8.059 -18.796 -0.816 1.00 53.52 H new ATOM 0 HG2 GLU A 35 9.383 -18.120 1.629 1.00 72.13 H new ATOM 0 HG3 GLU A 35 7.658 -18.099 1.942 1.00 72.13 H new ATOM 543 N MET A 36 8.516 -15.191 -2.010 1.00 73.41 N ATOM 544 CA MET A 36 8.120 -14.519 -3.242 1.00 0.41 C ATOM 545 C MET A 36 9.300 -14.404 -4.202 1.00 11.32 C ATOM 546 O MET A 36 9.121 -14.380 -5.420 1.00 33.31 O ATOM 547 CB MET A 36 7.562 -13.128 -2.932 1.00 62.12 C ATOM 548 CG MET A 36 6.052 -13.034 -3.075 1.00 52.50 C ATOM 549 SD MET A 36 5.546 -12.368 -4.672 1.00 55.24 S ATOM 550 CE MET A 36 4.455 -11.044 -4.157 1.00 42.41 C ATOM 0 H MET A 36 8.470 -14.606 -1.176 1.00 73.41 H new ATOM 0 HA MET A 36 7.343 -15.116 -3.719 1.00 0.41 H new ATOM 0 HB2 MET A 36 7.840 -12.852 -1.915 1.00 62.12 H new ATOM 0 HB3 MET A 36 8.028 -12.402 -3.598 1.00 62.12 H new ATOM 0 HG2 MET A 36 5.616 -14.024 -2.944 1.00 52.50 H new ATOM 0 HG3 MET A 36 5.654 -12.403 -2.280 1.00 52.50 H new ATOM 0 HE1 MET A 36 4.060 -10.535 -5.036 1.00 42.41 H new ATOM 0 HE2 MET A 36 3.630 -11.457 -3.576 1.00 42.41 H new ATOM 0 HE3 MET A 36 5.010 -10.333 -3.545 1.00 42.41 H new ATOM 560 N ILE A 37 10.504 -14.332 -3.646 1.00 5.03 N ATOM 561 CA ILE A 37 11.713 -14.220 -4.453 1.00 72.43 C ATOM 562 C ILE A 37 12.124 -15.576 -5.017 1.00 63.12 C ATOM 563 O ILE A 37 12.798 -15.655 -6.044 1.00 43.34 O ATOM 564 CB ILE A 37 12.883 -13.639 -3.638 1.00 61.40 C ATOM 565 CG1 ILE A 37 13.973 -13.112 -4.574 1.00 12.13 C ATOM 566 CG2 ILE A 37 13.449 -14.694 -2.698 1.00 51.44 C ATOM 567 CD1 ILE A 37 15.152 -12.505 -3.846 1.00 50.24 C ATOM 0 H ILE A 37 10.669 -14.349 -2.640 1.00 5.03 H new ATOM 0 HA ILE A 37 11.482 -13.542 -5.275 1.00 72.43 H new ATOM 0 HB ILE A 37 12.512 -12.808 -3.039 1.00 61.40 H new ATOM 0 HG12 ILE A 37 14.326 -13.929 -5.204 1.00 12.13 H new ATOM 0 HG13 ILE A 37 13.540 -12.363 -5.237 1.00 12.13 H new ATOM 0 HG21 ILE A 37 14.275 -14.268 -2.129 1.00 51.44 H new ATOM 0 HG22 ILE A 37 12.669 -15.027 -2.013 1.00 51.44 H new ATOM 0 HG23 ILE A 37 13.808 -15.544 -3.279 1.00 51.44 H new ATOM 0 HD11 ILE A 37 15.885 -12.153 -4.571 1.00 50.24 H new ATOM 0 HD12 ILE A 37 14.812 -11.667 -3.238 1.00 50.24 H new ATOM 0 HD13 ILE A 37 15.610 -13.257 -3.204 1.00 50.24 H new ATOM 579 N VAL A 38 11.713 -16.643 -4.339 1.00 14.30 N ATOM 580 CA VAL A 38 12.036 -17.996 -4.773 1.00 73.45 C ATOM 581 C VAL A 38 11.441 -18.290 -6.146 1.00 41.54 C ATOM 582 O VAL A 38 12.102 -18.863 -7.013 1.00 5.31 O ATOM 583 CB VAL A 38 11.523 -19.046 -3.769 1.00 54.43 C ATOM 584 CG1 VAL A 38 11.839 -20.451 -4.257 1.00 24.22 C ATOM 585 CG2 VAL A 38 12.122 -18.802 -2.392 1.00 74.34 C ATOM 0 H VAL A 38 11.155 -16.596 -3.486 1.00 14.30 H new ATOM 0 HA VAL A 38 13.123 -18.058 -4.830 1.00 73.45 H new ATOM 0 HB VAL A 38 10.440 -18.951 -3.691 1.00 54.43 H new ATOM 0 HG11 VAL A 38 11.469 -21.179 -3.535 1.00 24.22 H new ATOM 0 HG12 VAL A 38 11.357 -20.619 -5.220 1.00 24.22 H new ATOM 0 HG13 VAL A 38 12.918 -20.564 -4.366 1.00 24.22 H new ATOM 0 HG21 VAL A 38 11.749 -19.552 -1.695 1.00 74.34 H new ATOM 0 HG22 VAL A 38 13.208 -18.869 -2.451 1.00 74.34 H new ATOM 0 HG23 VAL A 38 11.838 -17.809 -2.042 1.00 74.34 H new ATOM 595 N THR A 39 10.187 -17.892 -6.339 1.00 42.04 N ATOM 596 CA THR A 39 9.502 -18.112 -7.607 1.00 21.22 C ATOM 597 C THR A 39 10.338 -17.610 -8.778 1.00 64.23 C ATOM 598 O THR A 39 10.255 -18.141 -9.885 1.00 61.52 O ATOM 599 CB THR A 39 8.130 -17.412 -7.633 1.00 22.32 C ATOM 600 OG1 THR A 39 7.361 -17.884 -8.744 1.00 54.05 O ATOM 601 CG2 THR A 39 8.295 -15.903 -7.727 1.00 55.13 C ATOM 0 H THR A 39 9.625 -17.416 -5.633 1.00 42.04 H new ATOM 0 HA THR A 39 9.355 -19.188 -7.704 1.00 21.22 H new ATOM 0 HB THR A 39 7.608 -17.647 -6.705 1.00 22.32 H new ATOM 0 HG1 THR A 39 6.490 -17.436 -8.753 1.00 54.05 H new ATOM 0 HG21 THR A 39 7.313 -15.430 -7.744 1.00 55.13 H new ATOM 0 HG22 THR A 39 8.856 -15.544 -6.864 1.00 55.13 H new ATOM 0 HG23 THR A 39 8.834 -15.652 -8.640 1.00 55.13 H new ATOM 609 N ALA A 40 11.145 -16.584 -8.527 1.00 74.00 N ATOM 610 CA ALA A 40 11.998 -16.012 -9.561 1.00 24.31 C ATOM 611 C ALA A 40 13.194 -16.914 -9.846 1.00 62.53 C ATOM 612 O ALA A 40 13.632 -17.038 -10.990 1.00 15.01 O ATOM 613 CB ALA A 40 12.468 -14.625 -9.150 1.00 11.41 C ATOM 0 H ALA A 40 11.226 -16.132 -7.616 1.00 74.00 H new ATOM 0 HA ALA A 40 11.412 -15.929 -10.476 1.00 24.31 H new ATOM 0 HB1 ALA A 40 13.104 -14.210 -9.932 1.00 11.41 H new ATOM 0 HB2 ALA A 40 11.604 -13.977 -9.003 1.00 11.41 H new ATOM 0 HB3 ALA A 40 13.033 -14.693 -8.220 1.00 11.41 H new ATOM 619 N ALA A 41 13.719 -17.542 -8.799 1.00 61.42 N ATOM 620 CA ALA A 41 14.864 -18.434 -8.938 1.00 74.21 C ATOM 621 C ALA A 41 14.452 -19.762 -9.565 1.00 42.24 C ATOM 622 O ALA A 41 15.124 -20.268 -10.463 1.00 72.25 O ATOM 623 CB ALA A 41 15.518 -18.668 -7.584 1.00 72.15 C ATOM 0 H ALA A 41 13.370 -17.450 -7.845 1.00 61.42 H new ATOM 0 HA ALA A 41 15.586 -17.958 -9.601 1.00 74.21 H new ATOM 0 HB1 ALA A 41 16.371 -19.336 -7.703 1.00 72.15 H new ATOM 0 HB2 ALA A 41 15.856 -17.716 -7.174 1.00 72.15 H new ATOM 0 HB3 ALA A 41 14.796 -19.120 -6.904 1.00 72.15 H new ATOM 629 N GLU A 42 13.345 -20.320 -9.086 1.00 23.05 N ATOM 630 CA GLU A 42 12.846 -21.590 -9.600 1.00 24.24 C ATOM 631 C GLU A 42 12.579 -21.503 -11.099 1.00 44.15 C ATOM 632 O GLU A 42 13.108 -22.292 -11.883 1.00 50.11 O ATOM 633 CB GLU A 42 11.567 -21.996 -8.865 1.00 53.43 C ATOM 634 CG GLU A 42 11.764 -22.215 -7.375 1.00 33.03 C ATOM 635 CD GLU A 42 10.855 -23.294 -6.819 1.00 32.02 C ATOM 636 OE1 GLU A 42 9.713 -22.966 -6.432 1.00 24.10 O ATOM 637 OE2 GLU A 42 11.284 -24.465 -6.770 1.00 64.41 O ATOM 0 H GLU A 42 12.777 -19.913 -8.343 1.00 23.05 H new ATOM 0 HA GLU A 42 13.611 -22.348 -9.429 1.00 24.24 H new ATOM 0 HB2 GLU A 42 10.812 -21.224 -9.013 1.00 53.43 H new ATOM 0 HB3 GLU A 42 11.178 -22.912 -9.310 1.00 53.43 H new ATOM 0 HG2 GLU A 42 12.802 -22.487 -7.186 1.00 33.03 H new ATOM 0 HG3 GLU A 42 11.578 -21.280 -6.846 1.00 33.03 H new ATOM 644 N LYS A 43 11.755 -20.538 -11.492 1.00 75.23 N ATOM 645 CA LYS A 43 11.416 -20.345 -12.897 1.00 62.24 C ATOM 646 C LYS A 43 12.663 -20.033 -13.719 1.00 54.33 C ATOM 647 O LYS A 43 12.690 -20.255 -14.929 1.00 43.22 O ATOM 648 CB LYS A 43 10.397 -19.214 -13.047 1.00 53.31 C ATOM 649 CG LYS A 43 8.995 -19.697 -13.375 1.00 71.54 C ATOM 650 CD LYS A 43 7.940 -18.893 -12.635 1.00 33.34 C ATOM 651 CE LYS A 43 6.882 -18.353 -13.585 1.00 2.52 C ATOM 652 NZ LYS A 43 7.301 -17.066 -14.207 1.00 22.02 N ATOM 0 H LYS A 43 11.309 -19.876 -10.856 1.00 75.23 H new ATOM 0 HA LYS A 43 10.978 -21.271 -13.270 1.00 62.24 H new ATOM 0 HB2 LYS A 43 10.367 -18.639 -12.122 1.00 53.31 H new ATOM 0 HB3 LYS A 43 10.732 -18.537 -13.833 1.00 53.31 H new ATOM 0 HG2 LYS A 43 8.825 -19.620 -14.449 1.00 71.54 H new ATOM 0 HG3 LYS A 43 8.902 -20.751 -13.112 1.00 71.54 H new ATOM 0 HD2 LYS A 43 7.466 -19.520 -11.880 1.00 33.34 H new ATOM 0 HD3 LYS A 43 8.415 -18.065 -12.109 1.00 33.34 H new ATOM 0 HE2 LYS A 43 6.686 -19.087 -14.366 1.00 2.52 H new ATOM 0 HE3 LYS A 43 5.947 -18.207 -13.043 1.00 2.52 H new ATOM 0 HZ1 LYS A 43 6.554 -16.730 -14.848 1.00 22.02 H new ATOM 0 HZ2 LYS A 43 7.463 -16.358 -13.463 1.00 22.02 H new ATOM 0 HZ3 LYS A 43 8.179 -17.210 -14.745 1.00 22.02 H new ATOM 666 N GLU A 44 13.691 -19.518 -13.053 1.00 45.13 N ATOM 667 CA GLU A 44 14.941 -19.176 -13.724 1.00 35.23 C ATOM 668 C GLU A 44 15.913 -20.352 -13.695 1.00 74.13 C ATOM 669 O GLU A 44 15.594 -21.423 -13.179 1.00 15.41 O ATOM 670 CB GLU A 44 15.582 -17.954 -13.063 1.00 71.12 C ATOM 671 CG GLU A 44 14.986 -16.633 -13.519 1.00 12.20 C ATOM 672 CD GLU A 44 15.139 -16.407 -15.011 1.00 33.53 C ATOM 673 OE1 GLU A 44 14.242 -16.829 -15.770 1.00 73.20 O ATOM 674 OE2 GLU A 44 16.156 -15.809 -15.418 1.00 41.33 O ATOM 0 H GLU A 44 13.684 -19.328 -12.051 1.00 45.13 H new ATOM 0 HA GLU A 44 14.713 -18.940 -14.764 1.00 35.23 H new ATOM 0 HB2 GLU A 44 15.474 -18.038 -11.982 1.00 71.12 H new ATOM 0 HB3 GLU A 44 16.651 -17.954 -13.277 1.00 71.12 H new ATOM 0 HG2 GLU A 44 13.928 -16.607 -13.258 1.00 12.20 H new ATOM 0 HG3 GLU A 44 15.467 -15.817 -12.981 1.00 12.20 H new ATOM 681 N ALA A 45 17.100 -20.144 -14.255 1.00 20.31 N ATOM 682 CA ALA A 45 18.119 -21.185 -14.293 1.00 24.51 C ATOM 683 C ALA A 45 19.461 -20.624 -14.751 1.00 1.33 C ATOM 684 O ALA A 45 20.500 -20.910 -14.156 1.00 62.34 O ATOM 685 CB ALA A 45 17.681 -22.320 -15.206 1.00 72.43 C ATOM 0 H ALA A 45 17.379 -19.264 -14.689 1.00 20.31 H new ATOM 0 HA ALA A 45 18.243 -21.573 -13.282 1.00 24.51 H new ATOM 0 HB1 ALA A 45 18.452 -23.090 -15.225 1.00 72.43 H new ATOM 0 HB2 ALA A 45 16.750 -22.748 -14.834 1.00 72.43 H new ATOM 0 HB3 ALA A 45 17.527 -21.937 -16.215 1.00 72.43 H new ATOM 691 N SER A 46 19.431 -19.823 -15.811 1.00 43.12 N ATOM 692 CA SER A 46 20.646 -19.224 -16.352 1.00 23.54 C ATOM 693 C SER A 46 20.903 -17.857 -15.726 1.00 51.21 C ATOM 694 O SER A 46 21.211 -16.892 -16.425 1.00 4.24 O ATOM 695 CB SER A 46 20.542 -19.091 -17.872 1.00 53.00 C ATOM 696 OG SER A 46 20.758 -20.338 -18.510 1.00 2.15 O ATOM 0 H SER A 46 18.579 -19.574 -16.313 1.00 43.12 H new ATOM 0 HA SER A 46 21.483 -19.878 -16.109 1.00 23.54 H new ATOM 0 HB2 SER A 46 19.557 -18.708 -18.140 1.00 53.00 H new ATOM 0 HB3 SER A 46 21.274 -18.366 -18.227 1.00 53.00 H new ATOM 0 HG SER A 46 20.684 -20.226 -19.481 1.00 2.15 H new ATOM 702 N GLN A 47 20.773 -17.783 -14.405 1.00 74.34 N ATOM 703 CA GLN A 47 20.989 -16.534 -13.685 1.00 64.13 C ATOM 704 C GLN A 47 22.035 -16.712 -12.589 1.00 41.14 C ATOM 705 O GLN A 47 21.986 -17.671 -11.819 1.00 64.45 O ATOM 706 CB GLN A 47 19.677 -16.036 -13.078 1.00 34.40 C ATOM 707 CG GLN A 47 19.593 -14.523 -12.966 1.00 4.31 C ATOM 708 CD GLN A 47 18.934 -13.884 -14.172 1.00 45.44 C ATOM 709 OE1 GLN A 47 19.100 -14.345 -15.302 1.00 22.01 O ATOM 710 NE2 GLN A 47 18.181 -12.815 -13.939 1.00 63.12 N ATOM 0 H GLN A 47 20.519 -18.573 -13.812 1.00 74.34 H new ATOM 0 HA GLN A 47 21.356 -15.793 -14.396 1.00 64.13 H new ATOM 0 HB2 GLN A 47 18.846 -16.393 -13.687 1.00 34.40 H new ATOM 0 HB3 GLN A 47 19.557 -16.472 -12.086 1.00 34.40 H new ATOM 0 HG2 GLN A 47 19.033 -14.260 -12.069 1.00 4.31 H new ATOM 0 HG3 GLN A 47 20.597 -14.115 -12.847 1.00 4.31 H new ATOM 0 HE21 GLN A 47 18.071 -12.467 -12.987 1.00 63.12 H new ATOM 0 HE22 GLN A 47 17.713 -12.342 -14.712 1.00 63.12 H new ATOM 719 N LYS A 48 22.981 -15.781 -12.525 1.00 22.23 N ATOM 720 CA LYS A 48 24.039 -15.834 -11.523 1.00 3.51 C ATOM 721 C LYS A 48 23.528 -15.360 -10.166 1.00 73.30 C ATOM 722 O LYS A 48 24.007 -15.803 -9.122 1.00 11.31 O ATOM 723 CB LYS A 48 25.227 -14.973 -11.960 1.00 60.33 C ATOM 724 CG LYS A 48 25.771 -15.339 -13.331 1.00 15.42 C ATOM 725 CD LYS A 48 27.283 -15.206 -13.384 1.00 63.40 C ATOM 726 CE LYS A 48 27.857 -15.865 -14.629 1.00 71.51 C ATOM 727 NZ LYS A 48 29.279 -16.266 -14.440 1.00 34.24 N ATOM 0 H LYS A 48 23.037 -14.981 -13.155 1.00 22.23 H new ATOM 0 HA LYS A 48 24.363 -16.870 -11.428 1.00 3.51 H new ATOM 0 HB2 LYS A 48 24.924 -13.926 -11.966 1.00 60.33 H new ATOM 0 HB3 LYS A 48 26.025 -15.069 -11.224 1.00 60.33 H new ATOM 0 HG2 LYS A 48 25.486 -16.362 -13.575 1.00 15.42 H new ATOM 0 HG3 LYS A 48 25.321 -14.694 -14.086 1.00 15.42 H new ATOM 0 HD2 LYS A 48 27.557 -14.151 -13.370 1.00 63.40 H new ATOM 0 HD3 LYS A 48 27.721 -15.661 -12.495 1.00 63.40 H new ATOM 0 HE2 LYS A 48 27.263 -16.743 -14.882 1.00 71.51 H new ATOM 0 HE3 LYS A 48 27.783 -15.177 -15.471 1.00 71.51 H new ATOM 0 HZ1 LYS A 48 29.633 -16.711 -15.311 1.00 34.24 H new ATOM 0 HZ2 LYS A 48 29.851 -15.425 -14.224 1.00 34.24 H new ATOM 0 HZ3 LYS A 48 29.347 -16.942 -13.653 1.00 34.24 H new ATOM 741 N VAL A 49 22.551 -14.459 -10.188 1.00 74.34 N ATOM 742 CA VAL A 49 21.972 -13.928 -8.960 1.00 22.21 C ATOM 743 C VAL A 49 21.003 -14.924 -8.334 1.00 34.13 C ATOM 744 O VAL A 49 20.862 -14.985 -7.112 1.00 53.42 O ATOM 745 CB VAL A 49 21.234 -12.601 -9.215 1.00 52.24 C ATOM 746 CG1 VAL A 49 22.223 -11.495 -9.550 1.00 2.15 C ATOM 747 CG2 VAL A 49 20.211 -12.766 -10.329 1.00 33.51 C ATOM 0 H VAL A 49 22.144 -14.081 -11.044 1.00 74.34 H new ATOM 0 HA VAL A 49 22.799 -13.749 -8.272 1.00 22.21 H new ATOM 0 HB VAL A 49 20.705 -12.320 -8.304 1.00 52.24 H new ATOM 0 HG11 VAL A 49 21.683 -10.565 -9.727 1.00 2.15 H new ATOM 0 HG12 VAL A 49 22.914 -11.360 -8.718 1.00 2.15 H new ATOM 0 HG13 VAL A 49 22.782 -11.766 -10.446 1.00 2.15 H new ATOM 0 HG21 VAL A 49 19.699 -11.818 -10.496 1.00 33.51 H new ATOM 0 HG22 VAL A 49 20.717 -13.071 -11.245 1.00 33.51 H new ATOM 0 HG23 VAL A 49 19.484 -13.527 -10.045 1.00 33.51 H new ATOM 757 N ARG A 50 20.336 -15.704 -9.179 1.00 23.14 N ATOM 758 CA ARG A 50 19.379 -16.698 -8.708 1.00 52.30 C ATOM 759 C ARG A 50 19.931 -17.458 -7.506 1.00 31.12 C ATOM 760 O ARG A 50 19.234 -17.656 -6.511 1.00 65.33 O ATOM 761 CB ARG A 50 19.035 -17.678 -9.831 1.00 42.01 C ATOM 762 CG ARG A 50 18.222 -18.875 -9.367 1.00 14.01 C ATOM 763 CD ARG A 50 18.983 -20.177 -9.565 1.00 53.51 C ATOM 764 NE ARG A 50 19.651 -20.611 -8.342 1.00 23.34 N ATOM 765 CZ ARG A 50 20.095 -21.848 -8.146 1.00 72.13 C ATOM 766 NH1 ARG A 50 19.942 -22.767 -9.089 1.00 72.53 N ATOM 767 NH2 ARG A 50 20.693 -22.167 -7.006 1.00 22.22 N ATOM 0 H ARG A 50 20.441 -15.667 -10.193 1.00 23.14 H new ATOM 0 HA ARG A 50 18.473 -16.176 -8.400 1.00 52.30 H new ATOM 0 HB2 ARG A 50 18.478 -17.150 -10.605 1.00 42.01 H new ATOM 0 HB3 ARG A 50 19.959 -18.032 -10.288 1.00 42.01 H new ATOM 0 HG2 ARG A 50 17.968 -18.757 -8.313 1.00 14.01 H new ATOM 0 HG3 ARG A 50 17.283 -18.914 -9.919 1.00 14.01 H new ATOM 0 HD2 ARG A 50 18.293 -20.953 -9.896 1.00 53.51 H new ATOM 0 HD3 ARG A 50 19.722 -20.048 -10.356 1.00 53.51 H new ATOM 0 HE ARG A 50 19.784 -19.927 -7.597 1.00 23.34 H new ATOM 0 HH11 ARG A 50 19.483 -22.525 -9.967 1.00 72.53 H new ATOM 0 HH12 ARG A 50 20.284 -23.716 -8.937 1.00 72.53 H new ATOM 0 HH21 ARG A 50 20.813 -21.462 -6.278 1.00 22.22 H new ATOM 0 HH22 ARG A 50 21.033 -23.117 -6.857 1.00 22.22 H new ATOM 781 N ASN A 51 21.187 -17.882 -7.606 1.00 13.31 N ATOM 782 CA ASN A 51 21.832 -18.621 -6.527 1.00 60.33 C ATOM 783 C ASN A 51 21.716 -17.868 -5.206 1.00 3.23 C ATOM 784 O ASN A 51 21.337 -18.440 -4.183 1.00 54.02 O ATOM 785 CB ASN A 51 23.305 -18.867 -6.860 1.00 21.33 C ATOM 786 CG ASN A 51 24.039 -19.582 -5.741 1.00 52.41 C ATOM 787 OD1 ASN A 51 23.542 -20.560 -5.183 1.00 72.13 O ATOM 788 ND2 ASN A 51 25.228 -19.094 -5.408 1.00 1.33 N ATOM 0 H ASN A 51 21.778 -17.726 -8.423 1.00 13.31 H new ATOM 0 HA ASN A 51 21.325 -19.580 -6.423 1.00 60.33 H new ATOM 0 HB2 ASN A 51 23.374 -19.459 -7.773 1.00 21.33 H new ATOM 0 HB3 ASN A 51 23.794 -17.913 -7.060 1.00 21.33 H new ATOM 0 HD21 ASN A 51 25.768 -19.532 -4.662 1.00 1.33 H new ATOM 0 HD22 ASN A 51 25.601 -18.281 -5.898 1.00 1.33 H new ATOM 795 N LEU A 52 22.046 -16.581 -5.234 1.00 75.11 N ATOM 796 CA LEU A 52 21.978 -15.748 -4.039 1.00 1.42 C ATOM 797 C LEU A 52 20.531 -15.420 -3.684 1.00 62.12 C ATOM 798 O LEU A 52 20.196 -15.227 -2.515 1.00 12.42 O ATOM 799 CB LEU A 52 22.769 -14.455 -4.249 1.00 73.11 C ATOM 800 CG LEU A 52 23.155 -13.691 -2.982 1.00 55.53 C ATOM 801 CD1 LEU A 52 24.191 -14.467 -2.185 1.00 71.00 C ATOM 802 CD2 LEU A 52 23.677 -12.305 -3.334 1.00 25.42 C ATOM 0 H LEU A 52 22.363 -16.092 -6.071 1.00 75.11 H new ATOM 0 HA LEU A 52 22.418 -16.306 -3.212 1.00 1.42 H new ATOM 0 HB2 LEU A 52 23.681 -14.695 -4.796 1.00 73.11 H new ATOM 0 HB3 LEU A 52 22.181 -13.792 -4.884 1.00 73.11 H new ATOM 0 HG LEU A 52 22.264 -13.576 -2.364 1.00 55.53 H new ATOM 0 HD11 LEU A 52 24.453 -13.907 -1.287 1.00 71.00 H new ATOM 0 HD12 LEU A 52 23.781 -15.436 -1.902 1.00 71.00 H new ATOM 0 HD13 LEU A 52 25.083 -14.614 -2.794 1.00 71.00 H new ATOM 0 HD21 LEU A 52 23.947 -11.775 -2.421 1.00 25.42 H new ATOM 0 HD22 LEU A 52 24.555 -12.398 -3.973 1.00 25.42 H new ATOM 0 HD23 LEU A 52 22.903 -11.748 -3.861 1.00 25.42 H new ATOM 814 N LEU A 53 19.677 -15.361 -4.700 1.00 64.51 N ATOM 815 CA LEU A 53 18.265 -15.060 -4.496 1.00 12.20 C ATOM 816 C LEU A 53 17.622 -16.074 -3.556 1.00 74.40 C ATOM 817 O LEU A 53 16.833 -15.714 -2.681 1.00 40.42 O ATOM 818 CB LEU A 53 17.526 -15.049 -5.836 1.00 25.13 C ATOM 819 CG LEU A 53 17.374 -13.684 -6.507 1.00 42.22 C ATOM 820 CD1 LEU A 53 18.606 -12.827 -6.259 1.00 53.35 C ATOM 821 CD2 LEU A 53 17.128 -13.848 -8.000 1.00 30.21 C ATOM 0 H LEU A 53 19.938 -15.518 -5.673 1.00 64.51 H new ATOM 0 HA LEU A 53 18.192 -14.073 -4.040 1.00 12.20 H new ATOM 0 HB2 LEU A 53 18.051 -15.713 -6.523 1.00 25.13 H new ATOM 0 HB3 LEU A 53 16.532 -15.469 -5.683 1.00 25.13 H new ATOM 0 HG LEU A 53 16.512 -13.180 -6.070 1.00 42.22 H new ATOM 0 HD11 LEU A 53 18.480 -11.859 -6.744 1.00 53.35 H new ATOM 0 HD12 LEU A 53 18.738 -12.681 -5.187 1.00 53.35 H new ATOM 0 HD13 LEU A 53 19.485 -13.326 -6.668 1.00 53.35 H new ATOM 0 HD21 LEU A 53 17.022 -12.866 -8.461 1.00 30.21 H new ATOM 0 HD22 LEU A 53 17.970 -14.373 -8.452 1.00 30.21 H new ATOM 0 HD23 LEU A 53 16.215 -14.423 -8.157 1.00 30.21 H new ATOM 833 N LEU A 54 17.965 -17.344 -3.741 1.00 34.43 N ATOM 834 CA LEU A 54 17.423 -18.412 -2.908 1.00 34.24 C ATOM 835 C LEU A 54 18.090 -18.425 -1.536 1.00 64.33 C ATOM 836 O LEU A 54 17.418 -18.507 -0.508 1.00 24.34 O ATOM 837 CB LEU A 54 17.612 -19.767 -3.593 1.00 2.42 C ATOM 838 CG LEU A 54 16.975 -19.915 -4.975 1.00 44.41 C ATOM 839 CD1 LEU A 54 17.745 -20.925 -5.812 1.00 12.21 C ATOM 840 CD2 LEU A 54 15.516 -20.325 -4.849 1.00 33.54 C ATOM 0 H LEU A 54 18.616 -17.659 -4.460 1.00 34.43 H new ATOM 0 HA LEU A 54 16.358 -18.227 -2.772 1.00 34.24 H new ATOM 0 HB2 LEU A 54 18.681 -19.959 -3.685 1.00 2.42 H new ATOM 0 HB3 LEU A 54 17.204 -20.541 -2.942 1.00 2.42 H new ATOM 0 HG LEU A 54 17.017 -18.949 -5.479 1.00 44.41 H new ATOM 0 HD11 LEU A 54 17.277 -21.017 -6.792 1.00 12.21 H new ATOM 0 HD12 LEU A 54 18.775 -20.589 -5.932 1.00 12.21 H new ATOM 0 HD13 LEU A 54 17.735 -21.894 -5.313 1.00 12.21 H new ATOM 0 HD21 LEU A 54 15.079 -20.425 -5.843 1.00 33.54 H new ATOM 0 HD22 LEU A 54 15.450 -21.279 -4.325 1.00 33.54 H new ATOM 0 HD23 LEU A 54 14.972 -19.565 -4.289 1.00 33.54 H new ATOM 852 N HIS A 55 19.417 -18.342 -1.529 1.00 0.20 N ATOM 853 CA HIS A 55 20.176 -18.341 -0.283 1.00 62.15 C ATOM 854 C HIS A 55 19.727 -17.201 0.626 1.00 62.13 C ATOM 855 O HIS A 55 19.443 -17.409 1.806 1.00 41.24 O ATOM 856 CB HIS A 55 21.672 -18.219 -0.574 1.00 3.44 C ATOM 857 CG HIS A 55 22.529 -18.304 0.652 1.00 40.40 C ATOM 858 ND1 HIS A 55 23.056 -17.195 1.280 1.00 20.12 N ATOM 859 CD2 HIS A 55 22.948 -19.374 1.366 1.00 24.05 C ATOM 860 CE1 HIS A 55 23.764 -17.580 2.327 1.00 10.11 C ATOM 861 NE2 HIS A 55 23.714 -18.898 2.402 1.00 43.30 N ATOM 0 H HIS A 55 19.988 -18.275 -2.371 1.00 0.20 H new ATOM 0 HA HIS A 55 19.989 -19.285 0.229 1.00 62.15 H new ATOM 0 HB2 HIS A 55 21.965 -19.008 -1.267 1.00 3.44 H new ATOM 0 HB3 HIS A 55 21.860 -17.269 -1.074 1.00 3.44 H new ATOM 0 HD2 HIS A 55 22.722 -20.410 1.160 1.00 24.05 H new ATOM 0 HE1 HIS A 55 24.294 -16.928 3.006 1.00 10.11 H new ATOM 0 HE2 HIS A 55 24.170 -19.469 3.113 1.00 43.30 H new ATOM 869 N LYS A 56 19.666 -15.996 0.069 1.00 22.14 N ATOM 870 CA LYS A 56 19.252 -14.822 0.829 1.00 73.33 C ATOM 871 C LYS A 56 17.784 -14.925 1.231 1.00 20.33 C ATOM 872 O LYS A 56 17.343 -14.275 2.178 1.00 52.55 O ATOM 873 CB LYS A 56 19.478 -13.552 0.007 1.00 40.54 C ATOM 874 CG LYS A 56 20.903 -13.031 0.072 1.00 2.52 C ATOM 875 CD LYS A 56 21.009 -11.624 -0.493 1.00 64.23 C ATOM 876 CE LYS A 56 20.642 -11.588 -1.969 1.00 3.42 C ATOM 877 NZ LYS A 56 19.380 -10.834 -2.208 1.00 4.31 N ATOM 0 H LYS A 56 19.898 -15.807 -0.906 1.00 22.14 H new ATOM 0 HA LYS A 56 19.857 -14.774 1.735 1.00 73.33 H new ATOM 0 HB2 LYS A 56 19.220 -13.752 -1.033 1.00 40.54 H new ATOM 0 HB3 LYS A 56 18.800 -12.775 0.360 1.00 40.54 H new ATOM 0 HG2 LYS A 56 21.246 -13.035 1.107 1.00 2.52 H new ATOM 0 HG3 LYS A 56 21.561 -13.698 -0.485 1.00 2.52 H new ATOM 0 HD2 LYS A 56 20.351 -10.957 0.063 1.00 64.23 H new ATOM 0 HD3 LYS A 56 22.025 -11.253 -0.360 1.00 64.23 H new ATOM 0 HE2 LYS A 56 21.453 -11.128 -2.534 1.00 3.42 H new ATOM 0 HE3 LYS A 56 20.533 -12.607 -2.341 1.00 3.42 H new ATOM 0 HZ1 LYS A 56 19.164 -10.832 -3.225 1.00 4.31 H new ATOM 0 HZ2 LYS A 56 18.601 -11.288 -1.689 1.00 4.31 H new ATOM 0 HZ3 LYS A 56 19.493 -9.855 -1.876 1.00 4.31 H new ATOM 891 N GLY A 57 17.032 -15.749 0.507 1.00 44.22 N ATOM 892 CA GLY A 57 15.623 -15.923 0.805 1.00 12.42 C ATOM 893 C GLY A 57 15.392 -16.586 2.149 1.00 41.53 C ATOM 894 O GLY A 57 14.646 -16.073 2.983 1.00 55.13 O ATOM 0 H GLY A 57 17.374 -16.299 -0.281 1.00 44.22 H new ATOM 0 HA2 GLY A 57 15.130 -14.951 0.793 1.00 12.42 H new ATOM 0 HA3 GLY A 57 15.161 -16.525 0.022 1.00 12.42 H new ATOM 898 N LYS A 58 16.033 -17.730 2.360 1.00 70.14 N ATOM 899 CA LYS A 58 15.894 -18.466 3.611 1.00 45.21 C ATOM 900 C LYS A 58 16.699 -17.802 4.724 1.00 33.11 C ATOM 901 O LYS A 58 16.449 -18.036 5.906 1.00 12.10 O ATOM 902 CB LYS A 58 16.355 -19.914 3.429 1.00 55.14 C ATOM 903 CG LYS A 58 17.862 -20.085 3.490 1.00 24.43 C ATOM 904 CD LYS A 58 18.477 -20.118 2.101 1.00 23.22 C ATOM 905 CE LYS A 58 18.114 -21.397 1.361 1.00 4.51 C ATOM 906 NZ LYS A 58 18.088 -21.195 -0.114 1.00 53.21 N ATOM 0 H LYS A 58 16.655 -18.168 1.680 1.00 70.14 H new ATOM 0 HA LYS A 58 14.841 -18.459 3.893 1.00 45.21 H new ATOM 0 HB2 LYS A 58 15.896 -20.532 4.201 1.00 55.14 H new ATOM 0 HB3 LYS A 58 15.995 -20.283 2.469 1.00 55.14 H new ATOM 0 HG2 LYS A 58 18.299 -19.267 4.063 1.00 24.43 H new ATOM 0 HG3 LYS A 58 18.103 -21.008 4.018 1.00 24.43 H new ATOM 0 HD2 LYS A 58 18.134 -19.256 1.529 1.00 23.22 H new ATOM 0 HD3 LYS A 58 19.561 -20.037 2.180 1.00 23.22 H new ATOM 0 HE2 LYS A 58 18.834 -22.177 1.608 1.00 4.51 H new ATOM 0 HE3 LYS A 58 17.138 -21.747 1.697 1.00 4.51 H new ATOM 0 HZ1 LYS A 58 17.676 -22.033 -0.572 1.00 53.21 H new ATOM 0 HZ2 LYS A 58 17.513 -20.359 -0.340 1.00 53.21 H new ATOM 0 HZ3 LYS A 58 19.058 -21.052 -0.462 1.00 53.21 H new ATOM 920 N GLU A 59 17.663 -16.973 4.338 1.00 65.12 N ATOM 921 CA GLU A 59 18.503 -16.276 5.305 1.00 41.43 C ATOM 922 C GLU A 59 17.740 -15.129 5.961 1.00 53.54 C ATOM 923 O GLU A 59 17.556 -15.106 7.178 1.00 75.14 O ATOM 924 CB GLU A 59 19.765 -15.740 4.625 1.00 21.21 C ATOM 925 CG GLU A 59 20.868 -16.776 4.486 1.00 31.34 C ATOM 926 CD GLU A 59 21.757 -16.849 5.712 1.00 23.44 C ATOM 927 OE1 GLU A 59 21.232 -16.709 6.836 1.00 30.34 O ATOM 928 OE2 GLU A 59 22.979 -17.047 5.547 1.00 44.01 O ATOM 0 H GLU A 59 17.882 -16.768 3.363 1.00 65.12 H new ATOM 0 HA GLU A 59 18.790 -16.988 6.078 1.00 41.43 H new ATOM 0 HB2 GLU A 59 19.503 -15.365 3.635 1.00 21.21 H new ATOM 0 HB3 GLU A 59 20.144 -14.893 5.197 1.00 21.21 H new ATOM 0 HG2 GLU A 59 20.422 -17.754 4.306 1.00 31.34 H new ATOM 0 HG3 GLU A 59 21.477 -16.538 3.614 1.00 31.34 H new ATOM 935 N VAL A 60 17.298 -14.176 5.145 1.00 61.43 N ATOM 936 CA VAL A 60 16.554 -13.026 5.644 1.00 24.11 C ATOM 937 C VAL A 60 15.397 -13.464 6.534 1.00 75.42 C ATOM 938 O VAL A 60 15.014 -12.757 7.467 1.00 73.12 O ATOM 939 CB VAL A 60 16.004 -12.169 4.489 1.00 72.23 C ATOM 940 CG1 VAL A 60 17.143 -11.580 3.670 1.00 31.55 C ATOM 941 CG2 VAL A 60 15.076 -12.994 3.610 1.00 54.23 C ATOM 0 H VAL A 60 17.443 -14.178 4.135 1.00 61.43 H new ATOM 0 HA VAL A 60 17.252 -12.427 6.230 1.00 24.11 H new ATOM 0 HB VAL A 60 15.430 -11.345 4.913 1.00 72.23 H new ATOM 0 HG11 VAL A 60 16.734 -10.978 2.859 1.00 31.55 H new ATOM 0 HG12 VAL A 60 17.765 -10.953 4.309 1.00 31.55 H new ATOM 0 HG13 VAL A 60 17.747 -12.386 3.254 1.00 31.55 H new ATOM 0 HG21 VAL A 60 14.696 -12.373 2.799 1.00 54.23 H new ATOM 0 HG22 VAL A 60 15.625 -13.839 3.194 1.00 54.23 H new ATOM 0 HG23 VAL A 60 14.241 -13.362 4.207 1.00 54.23 H new ATOM 951 N LEU A 61 14.842 -14.635 6.240 1.00 64.32 N ATOM 952 CA LEU A 61 13.727 -15.170 7.014 1.00 42.23 C ATOM 953 C LEU A 61 14.167 -15.523 8.431 1.00 44.22 C ATOM 954 O LEU A 61 13.573 -15.067 9.407 1.00 51.52 O ATOM 955 CB LEU A 61 13.149 -16.407 6.324 1.00 13.32 C ATOM 956 CG LEU A 61 11.897 -16.179 5.476 1.00 10.41 C ATOM 957 CD1 LEU A 61 12.205 -15.257 4.306 1.00 24.03 C ATOM 958 CD2 LEU A 61 11.340 -17.505 4.980 1.00 12.11 C ATOM 0 H LEU A 61 15.146 -15.232 5.471 1.00 64.32 H new ATOM 0 HA LEU A 61 12.957 -14.401 7.074 1.00 42.23 H new ATOM 0 HB2 LEU A 61 13.922 -16.837 5.687 1.00 13.32 H new ATOM 0 HB3 LEU A 61 12.916 -17.149 7.088 1.00 13.32 H new ATOM 0 HG LEU A 61 11.142 -15.701 6.100 1.00 10.41 H new ATOM 0 HD11 LEU A 61 11.302 -15.106 3.714 1.00 24.03 H new ATOM 0 HD12 LEU A 61 12.556 -14.296 4.682 1.00 24.03 H new ATOM 0 HD13 LEU A 61 12.977 -15.707 3.682 1.00 24.03 H new ATOM 0 HD21 LEU A 61 10.449 -17.323 4.378 1.00 12.11 H new ATOM 0 HD22 LEU A 61 12.091 -18.011 4.373 1.00 12.11 H new ATOM 0 HD23 LEU A 61 11.080 -18.132 5.833 1.00 12.11 H new ATOM 970 N GLU A 62 15.214 -16.336 8.535 1.00 72.13 N ATOM 971 CA GLU A 62 15.734 -16.748 9.833 1.00 30.41 C ATOM 972 C GLU A 62 16.361 -15.567 10.568 1.00 35.03 C ATOM 973 O GLU A 62 16.320 -15.495 11.796 1.00 11.35 O ATOM 974 CB GLU A 62 16.768 -17.863 9.662 1.00 32.44 C ATOM 975 CG GLU A 62 17.956 -17.465 8.804 1.00 64.24 C ATOM 976 CD GLU A 62 19.054 -18.511 8.806 1.00 61.34 C ATOM 977 OE1 GLU A 62 19.923 -18.457 9.701 1.00 41.41 O ATOM 978 OE2 GLU A 62 19.045 -19.384 7.912 1.00 15.25 O ATOM 0 H GLU A 62 15.718 -16.722 7.737 1.00 72.13 H new ATOM 0 HA GLU A 62 14.901 -17.123 10.427 1.00 30.41 H new ATOM 0 HB2 GLU A 62 17.127 -18.168 10.645 1.00 32.44 H new ATOM 0 HB3 GLU A 62 16.283 -18.731 9.216 1.00 32.44 H new ATOM 0 HG2 GLU A 62 17.620 -17.298 7.780 1.00 64.24 H new ATOM 0 HG3 GLU A 62 18.360 -16.519 9.165 1.00 64.24 H new ATOM 985 N TRP A 63 16.939 -14.645 9.808 1.00 5.20 N ATOM 986 CA TRP A 63 17.575 -13.467 10.387 1.00 45.33 C ATOM 987 C TRP A 63 16.538 -12.538 11.008 1.00 41.11 C ATOM 988 O TRP A 63 16.715 -12.054 12.126 1.00 72.53 O ATOM 989 CB TRP A 63 18.375 -12.717 9.320 1.00 60.44 C ATOM 990 CG TRP A 63 19.687 -12.192 9.820 1.00 74.02 C ATOM 991 CD1 TRP A 63 20.832 -12.907 10.024 1.00 71.44 C ATOM 992 CD2 TRP A 63 19.986 -10.839 10.181 1.00 64.42 C ATOM 993 NE1 TRP A 63 21.826 -12.081 10.490 1.00 52.23 N ATOM 994 CE2 TRP A 63 21.333 -10.807 10.594 1.00 73.11 C ATOM 995 CE3 TRP A 63 19.249 -9.652 10.193 1.00 25.13 C ATOM 996 CZ2 TRP A 63 21.954 -9.634 11.015 1.00 32.42 C ATOM 997 CZ3 TRP A 63 19.867 -8.489 10.612 1.00 23.20 C ATOM 998 CH2 TRP A 63 21.209 -8.487 11.018 1.00 54.35 C ATOM 0 H TRP A 63 16.981 -14.690 8.790 1.00 5.20 H new ATOM 0 HA TRP A 63 18.253 -13.801 11.172 1.00 45.33 H new ATOM 0 HB2 TRP A 63 18.556 -13.384 8.477 1.00 60.44 H new ATOM 0 HB3 TRP A 63 17.778 -11.885 8.946 1.00 60.44 H new ATOM 0 HD1 TRP A 63 20.940 -13.967 9.845 1.00 71.44 H new ATOM 0 HE1 TRP A 63 22.777 -12.369 10.721 1.00 52.23 H new ATOM 0 HE3 TRP A 63 18.215 -9.643 9.881 1.00 25.13 H new ATOM 0 HZ2 TRP A 63 22.988 -9.630 11.328 1.00 32.42 H new ATOM 0 HZ3 TRP A 63 19.307 -7.566 10.627 1.00 23.20 H new ATOM 0 HH2 TRP A 63 21.663 -7.561 11.339 1.00 54.35 H new ATOM 1009 N ALA A 64 15.456 -12.293 10.276 1.00 1.33 N ATOM 1010 CA ALA A 64 14.390 -11.423 10.757 1.00 35.34 C ATOM 1011 C ALA A 64 13.852 -11.905 12.101 1.00 61.55 C ATOM 1012 O ALA A 64 13.404 -11.107 12.922 1.00 0.23 O ATOM 1013 CB ALA A 64 13.267 -11.349 9.733 1.00 33.33 C ATOM 0 H ALA A 64 15.295 -12.685 9.348 1.00 1.33 H new ATOM 0 HA ALA A 64 14.805 -10.425 10.898 1.00 35.34 H new ATOM 0 HB1 ALA A 64 12.478 -10.696 10.105 1.00 33.33 H new ATOM 0 HB2 ALA A 64 13.655 -10.951 8.795 1.00 33.33 H new ATOM 0 HB3 ALA A 64 12.863 -12.347 9.564 1.00 33.33 H new ATOM 1019 N GLU A 65 13.900 -13.216 12.316 1.00 71.52 N ATOM 1020 CA GLU A 65 13.416 -13.804 13.560 1.00 52.24 C ATOM 1021 C GLU A 65 14.405 -13.563 14.696 1.00 11.33 C ATOM 1022 O GLU A 65 14.038 -13.597 15.871 1.00 0.13 O ATOM 1023 CB GLU A 65 13.181 -15.305 13.383 1.00 60.40 C ATOM 1024 CG GLU A 65 12.025 -15.636 12.454 1.00 13.32 C ATOM 1025 CD GLU A 65 11.239 -16.850 12.910 1.00 53.30 C ATOM 1026 OE1 GLU A 65 11.864 -17.902 13.157 1.00 3.04 O ATOM 1027 OE2 GLU A 65 9.999 -16.748 13.019 1.00 0.10 O ATOM 0 H GLU A 65 14.269 -13.891 11.646 1.00 71.52 H new ATOM 0 HA GLU A 65 12.471 -13.324 13.816 1.00 52.24 H new ATOM 0 HB2 GLU A 65 14.091 -15.763 12.994 1.00 60.40 H new ATOM 0 HB3 GLU A 65 12.991 -15.752 14.359 1.00 60.40 H new ATOM 0 HG2 GLU A 65 11.356 -14.777 12.392 1.00 13.32 H new ATOM 0 HG3 GLU A 65 12.410 -15.813 11.450 1.00 13.32 H new ATOM 1034 N HIS A 66 15.662 -13.319 14.338 1.00 74.43 N ATOM 1035 CA HIS A 66 16.705 -13.073 15.327 1.00 53.51 C ATOM 1036 C HIS A 66 16.429 -11.785 16.098 1.00 73.13 C ATOM 1037 O HIS A 66 16.398 -11.781 17.329 1.00 1.11 O ATOM 1038 CB HIS A 66 18.072 -12.991 14.648 1.00 41.24 C ATOM 1039 CG HIS A 66 19.105 -13.877 15.272 1.00 22.23 C ATOM 1040 ND1 HIS A 66 20.053 -13.417 16.161 1.00 24.14 N ATOM 1041 CD2 HIS A 66 19.334 -15.204 15.133 1.00 4.01 C ATOM 1042 CE1 HIS A 66 20.822 -14.422 16.541 1.00 64.13 C ATOM 1043 NE2 HIS A 66 20.407 -15.518 15.931 1.00 13.14 N ATOM 0 H HIS A 66 15.983 -13.286 13.370 1.00 74.43 H new ATOM 0 HA HIS A 66 16.707 -13.905 16.031 1.00 53.51 H new ATOM 0 HB2 HIS A 66 17.963 -13.258 13.597 1.00 41.24 H new ATOM 0 HB3 HIS A 66 18.423 -11.960 14.680 1.00 41.24 H new ATOM 0 HD2 HIS A 66 18.777 -15.888 14.511 1.00 4.01 H new ATOM 0 HE1 HIS A 66 21.649 -14.358 17.233 1.00 64.13 H new ATOM 0 HE2 HIS A 66 20.817 -16.446 16.036 1.00 13.14 H new ATOM 1051 N LEU A 67 16.229 -10.695 15.366 1.00 42.50 N ATOM 1052 CA LEU A 67 15.956 -9.400 15.981 1.00 63.02 C ATOM 1053 C LEU A 67 14.568 -9.379 16.613 1.00 25.33 C ATOM 1054 O LEU A 67 14.364 -8.775 17.666 1.00 62.42 O ATOM 1055 CB LEU A 67 16.072 -8.285 14.940 1.00 12.33 C ATOM 1056 CG LEU A 67 14.926 -8.186 13.933 1.00 42.45 C ATOM 1057 CD1 LEU A 67 13.881 -7.189 14.409 1.00 72.20 C ATOM 1058 CD2 LEU A 67 15.455 -7.792 12.561 1.00 51.10 C ATOM 0 H LEU A 67 16.251 -10.681 14.346 1.00 42.50 H new ATOM 0 HA LEU A 67 16.694 -9.235 16.766 1.00 63.02 H new ATOM 0 HB2 LEU A 67 16.152 -7.333 15.464 1.00 12.33 H new ATOM 0 HB3 LEU A 67 17.002 -8.425 14.389 1.00 12.33 H new ATOM 0 HG LEU A 67 14.454 -9.165 13.852 1.00 42.45 H new ATOM 0 HD11 LEU A 67 13.073 -7.132 13.679 1.00 72.20 H new ATOM 0 HD12 LEU A 67 13.480 -7.513 15.370 1.00 72.20 H new ATOM 0 HD13 LEU A 67 14.340 -6.206 14.520 1.00 72.20 H new ATOM 0 HD21 LEU A 67 14.626 -7.726 11.857 1.00 51.10 H new ATOM 0 HD22 LEU A 67 15.953 -6.825 12.627 1.00 51.10 H new ATOM 0 HD23 LEU A 67 16.166 -8.543 12.216 1.00 51.10 H new ATOM 1070 N ALA A 68 13.618 -10.045 15.965 1.00 43.22 N ATOM 1071 CA ALA A 68 12.251 -10.106 16.466 1.00 71.42 C ATOM 1072 C ALA A 68 12.189 -10.832 17.805 1.00 23.35 C ATOM 1073 O ALA A 68 11.293 -10.589 18.613 1.00 40.45 O ATOM 1074 CB ALA A 68 11.347 -10.790 15.451 1.00 61.23 C ATOM 0 H ALA A 68 13.770 -10.550 15.092 1.00 43.22 H new ATOM 0 HA ALA A 68 11.901 -9.085 16.619 1.00 71.42 H new ATOM 0 HB1 ALA A 68 10.329 -10.829 15.838 1.00 61.23 H new ATOM 0 HB2 ALA A 68 11.359 -10.229 14.517 1.00 61.23 H new ATOM 0 HB3 ALA A 68 11.705 -11.803 15.270 1.00 61.23 H new ATOM 1080 N GLU A 69 13.147 -11.725 18.034 1.00 24.12 N ATOM 1081 CA GLU A 69 13.200 -12.487 19.276 1.00 34.33 C ATOM 1082 C GLU A 69 13.821 -11.659 20.397 1.00 12.12 C ATOM 1083 O GLU A 69 13.586 -11.918 21.578 1.00 40.44 O ATOM 1084 CB GLU A 69 13.999 -13.776 19.076 1.00 24.35 C ATOM 1085 CG GLU A 69 13.214 -14.879 18.387 1.00 62.14 C ATOM 1086 CD GLU A 69 12.892 -16.034 19.315 1.00 70.12 C ATOM 1087 OE1 GLU A 69 13.767 -16.404 20.126 1.00 35.01 O ATOM 1088 OE2 GLU A 69 11.766 -16.568 19.230 1.00 45.00 O ATOM 0 H GLU A 69 13.897 -11.938 17.376 1.00 24.12 H new ATOM 0 HA GLU A 69 12.179 -12.742 19.559 1.00 34.33 H new ATOM 0 HB2 GLU A 69 14.889 -13.554 18.488 1.00 24.35 H new ATOM 0 HB3 GLU A 69 14.340 -14.136 20.047 1.00 24.35 H new ATOM 0 HG2 GLU A 69 12.286 -14.466 17.991 1.00 62.14 H new ATOM 0 HG3 GLU A 69 13.786 -15.250 17.537 1.00 62.14 H new ATOM 1095 N TRP A 70 14.614 -10.663 20.019 1.00 61.32 N ATOM 1096 CA TRP A 70 15.270 -9.797 20.992 1.00 40.14 C ATOM 1097 C TRP A 70 14.280 -9.315 22.047 1.00 61.55 C ATOM 1098 O TRP A 70 14.527 -9.442 23.246 1.00 22.22 O ATOM 1099 CB TRP A 70 15.908 -8.598 20.289 1.00 44.14 C ATOM 1100 CG TRP A 70 17.010 -7.962 21.081 1.00 0.13 C ATOM 1101 CD1 TRP A 70 16.874 -7.049 22.088 1.00 33.31 C ATOM 1102 CD2 TRP A 70 18.416 -8.190 20.931 1.00 15.22 C ATOM 1103 NE1 TRP A 70 18.110 -6.696 22.573 1.00 70.10 N ATOM 1104 CE2 TRP A 70 19.072 -7.382 21.881 1.00 62.53 C ATOM 1105 CE3 TRP A 70 19.183 -8.999 20.089 1.00 41.40 C ATOM 1106 CZ2 TRP A 70 20.458 -7.362 22.008 1.00 45.51 C ATOM 1107 CZ3 TRP A 70 20.559 -8.976 20.216 1.00 31.43 C ATOM 1108 CH2 TRP A 70 21.185 -8.163 21.170 1.00 22.22 C ATOM 0 H TRP A 70 14.818 -10.435 19.046 1.00 61.32 H new ATOM 0 HA TRP A 70 16.049 -10.375 21.489 1.00 40.14 H new ATOM 0 HB2 TRP A 70 16.302 -8.919 19.325 1.00 44.14 H new ATOM 0 HB3 TRP A 70 15.139 -7.853 20.087 1.00 44.14 H new ATOM 0 HD1 TRP A 70 15.933 -6.662 22.450 1.00 33.31 H new ATOM 0 HE1 TRP A 70 18.283 -6.031 23.327 1.00 70.10 H new ATOM 0 HE3 TRP A 70 18.709 -9.631 19.352 1.00 41.40 H new ATOM 0 HZ2 TRP A 70 20.943 -6.736 22.742 1.00 45.51 H new ATOM 0 HZ3 TRP A 70 21.162 -9.595 19.569 1.00 31.43 H new ATOM 0 HH2 TRP A 70 22.262 -8.169 21.245 1.00 22.22 H new ATOM 1119 N ILE A 71 13.160 -8.764 21.592 1.00 11.34 N ATOM 1120 CA ILE A 71 12.133 -8.265 22.498 1.00 12.14 C ATOM 1121 C ILE A 71 11.765 -9.313 23.543 1.00 74.44 C ATOM 1122 O ILE A 71 11.475 -8.984 24.694 1.00 74.33 O ATOM 1123 CB ILE A 71 10.862 -7.849 21.734 1.00 32.24 C ATOM 1124 CG1 ILE A 71 10.450 -8.946 20.751 1.00 70.43 C ATOM 1125 CG2 ILE A 71 11.089 -6.534 21.005 1.00 50.25 C ATOM 1126 CD1 ILE A 71 9.082 -9.527 21.031 1.00 15.20 C ATOM 0 H ILE A 71 12.941 -8.652 20.602 1.00 11.34 H new ATOM 0 HA ILE A 71 12.550 -7.390 22.996 1.00 12.14 H new ATOM 0 HB ILE A 71 10.054 -7.709 22.452 1.00 32.24 H new ATOM 0 HG12 ILE A 71 10.463 -8.540 19.740 1.00 70.43 H new ATOM 0 HG13 ILE A 71 11.189 -9.747 20.782 1.00 70.43 H new ATOM 0 HG21 ILE A 71 10.182 -6.253 20.470 1.00 50.25 H new ATOM 0 HG22 ILE A 71 11.340 -5.757 21.727 1.00 50.25 H new ATOM 0 HG23 ILE A 71 11.908 -6.648 20.295 1.00 50.25 H new ATOM 0 HD11 ILE A 71 8.857 -10.299 20.295 1.00 15.20 H new ATOM 0 HD12 ILE A 71 9.070 -9.964 22.030 1.00 15.20 H new ATOM 0 HD13 ILE A 71 8.332 -8.738 20.971 1.00 15.20 H new ATOM 1138 N LEU A 72 11.780 -10.577 23.134 1.00 32.55 N ATOM 1139 CA LEU A 72 11.449 -11.676 24.035 1.00 24.43 C ATOM 1140 C LEU A 72 12.516 -11.836 25.114 1.00 11.41 C ATOM 1141 O LEU A 72 12.203 -11.917 26.301 1.00 3.34 O ATOM 1142 CB LEU A 72 11.304 -12.980 23.249 1.00 64.51 C ATOM 1143 CG LEU A 72 10.386 -12.929 22.027 1.00 22.13 C ATOM 1144 CD1 LEU A 72 10.633 -14.127 21.123 1.00 2.31 C ATOM 1145 CD2 LEU A 72 8.928 -12.876 22.458 1.00 12.42 C ATOM 0 H LEU A 72 12.018 -10.866 22.185 1.00 32.55 H new ATOM 0 HA LEU A 72 10.501 -11.443 24.519 1.00 24.43 H new ATOM 0 HB2 LEU A 72 12.295 -13.295 22.921 1.00 64.51 H new ATOM 0 HB3 LEU A 72 10.932 -13.749 23.926 1.00 64.51 H new ATOM 0 HG LEU A 72 10.612 -12.023 21.465 1.00 22.13 H new ATOM 0 HD11 LEU A 72 9.971 -14.073 20.259 1.00 2.31 H new ATOM 0 HD12 LEU A 72 11.670 -14.121 20.787 1.00 2.31 H new ATOM 0 HD13 LEU A 72 10.436 -15.046 21.675 1.00 2.31 H new ATOM 0 HD21 LEU A 72 8.289 -12.840 21.576 1.00 12.42 H new ATOM 0 HD22 LEU A 72 8.689 -13.764 23.043 1.00 12.42 H new ATOM 0 HD23 LEU A 72 8.760 -11.986 23.064 1.00 12.42 H new ATOM 1157 N GLU A 73 13.776 -11.878 24.692 1.00 52.50 N ATOM 1158 CA GLU A 73 14.888 -12.025 25.623 1.00 21.52 C ATOM 1159 C GLU A 73 14.904 -10.885 26.637 1.00 31.44 C ATOM 1160 O GLU A 73 15.333 -11.060 27.778 1.00 32.55 O ATOM 1161 CB GLU A 73 16.216 -12.066 24.864 1.00 50.41 C ATOM 1162 CG GLU A 73 17.147 -13.175 25.324 1.00 74.34 C ATOM 1163 CD GLU A 73 18.542 -13.043 24.746 1.00 4.21 C ATOM 1164 OE1 GLU A 73 18.659 -12.711 23.548 1.00 52.43 O ATOM 1165 OE2 GLU A 73 19.518 -13.271 25.491 1.00 33.25 O ATOM 0 H GLU A 73 14.052 -11.812 23.712 1.00 52.50 H new ATOM 0 HA GLU A 73 14.756 -12.964 26.161 1.00 21.52 H new ATOM 0 HB2 GLU A 73 16.013 -12.192 23.800 1.00 50.41 H new ATOM 0 HB3 GLU A 73 16.721 -11.107 24.981 1.00 50.41 H new ATOM 0 HG2 GLU A 73 17.206 -13.166 26.412 1.00 74.34 H new ATOM 0 HG3 GLU A 73 16.728 -14.139 25.035 1.00 74.34 H new ATOM 1172 N HIS A 74 14.434 -9.717 26.213 1.00 53.22 N ATOM 1173 CA HIS A 74 14.393 -8.547 27.083 1.00 24.12 C ATOM 1174 C HIS A 74 15.766 -8.273 27.690 1.00 65.55 C ATOM 1175 O HIS A 74 16.128 -7.123 27.938 1.00 15.40 O ATOM 1176 CB HIS A 74 13.363 -8.748 28.195 1.00 51.32 C ATOM 1177 CG HIS A 74 12.223 -7.778 28.137 1.00 3.53 C ATOM 1178 ND1 HIS A 74 11.136 -7.942 27.305 1.00 22.02 N ATOM 1179 CD2 HIS A 74 12.005 -6.627 28.816 1.00 32.24 C ATOM 1180 CE1 HIS A 74 10.299 -6.934 27.474 1.00 41.04 C ATOM 1181 NE2 HIS A 74 10.803 -6.122 28.386 1.00 73.23 N ATOM 0 H HIS A 74 14.076 -9.555 25.272 1.00 53.22 H new ATOM 0 HA HIS A 74 14.103 -7.687 26.480 1.00 24.12 H new ATOM 0 HB2 HIS A 74 12.969 -9.763 28.136 1.00 51.32 H new ATOM 0 HB3 HIS A 74 13.860 -8.655 29.161 1.00 51.32 H new ATOM 0 HD1 HIS A 74 10.999 -8.720 26.660 1.00 22.02 H new ATOM 0 HD2 HIS A 74 12.656 -6.188 29.558 1.00 32.24 H new ATOM 0 HE1 HIS A 74 9.362 -6.797 26.955 1.00 41.04 H new