USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 39 TYR OH : rot -130:sc= -2.8! USER MOD Set 1.2: B 48 LYS NZ :NH3+ -138:sc= 0.632 (180deg=0.0269) USER MOD Set 2.1: A 39 TYR OH : rot -130:sc= -2.53! USER MOD Set 2.2: A 48 LYS NZ :NH3+ -130:sc= 0.63! (180deg=0.0162) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc=-0.00928 (180deg=-0.336) USER MOD Single : A 27 THR OG1 : rot 91:sc= 1.06 USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0545) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0.276 (180deg=0.21) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ -127:sc=-0.00343 (180deg=-0.359) USER MOD Single : B 27 THR OG1 : rot 92:sc= 1.02 USER MOD Single : B 33 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0439) USER MOD Single : B 44 LYS NZ :NH3+ -164:sc= 0.279 (180deg=0.211) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.985 -15.519 31.015 1.00 0.37 N ATOM 93 CA ILE A 8 -6.341 -15.214 31.568 1.00 0.37 C ATOM 94 C ILE A 8 -7.074 -14.232 30.654 1.00 0.32 C ATOM 95 O ILE A 8 -6.505 -13.279 30.178 1.00 0.30 O ATOM 96 CB ILE A 8 -6.083 -14.579 32.930 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.151 -15.479 33.747 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.407 -14.410 33.675 1.00 0.43 C ATOM 99 CD1 ILE A 8 -5.657 -16.921 33.691 1.00 1.36 C ATOM 0 HA ILE A 8 -6.963 -16.106 31.646 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.617 -13.604 32.791 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.136 -15.423 33.353 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -5.111 -15.136 34.781 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.221 -13.956 34.648 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.071 -13.768 33.096 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.874 -15.385 33.813 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.994 -17.562 34.272 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -6.664 -16.970 34.105 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.674 -17.261 32.655 1.00 1.36 H new ATOM 111 N VAL A 9 -8.312 -14.494 30.350 1.00 0.32 N ATOM 112 CA VAL A 9 -9.046 -13.609 29.395 1.00 0.29 C ATOM 113 C VAL A 9 -10.211 -12.899 30.093 1.00 0.32 C ATOM 114 O VAL A 9 -10.885 -13.462 30.932 1.00 0.37 O ATOM 115 CB VAL A 9 -9.562 -14.541 28.299 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.411 -13.745 27.307 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.372 -15.165 27.560 1.00 0.30 C ATOM 0 H VAL A 9 -8.850 -15.279 30.718 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.402 -12.826 28.995 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.169 -15.327 28.748 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.778 -14.411 26.526 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.256 -13.297 27.829 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.804 -12.959 26.858 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.738 -15.830 26.778 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.768 -14.376 27.112 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.764 -15.733 28.264 1.00 0.30 H new ATOM 127 N ARG A 10 -10.475 -11.678 29.712 1.00 0.31 N ATOM 128 CA ARG A 10 -11.623 -10.934 30.303 1.00 0.36 C ATOM 129 C ARG A 10 -12.477 -10.329 29.184 1.00 0.31 C ATOM 130 O ARG A 10 -12.039 -10.207 28.060 1.00 0.27 O ATOM 131 CB ARG A 10 -10.990 -9.832 31.153 1.00 0.40 C ATOM 132 CG ARG A 10 -12.085 -9.068 31.900 1.00 0.73 C ATOM 133 CD ARG A 10 -12.650 -9.946 33.018 1.00 0.86 C ATOM 134 NE ARG A 10 -13.749 -9.141 33.621 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.472 -8.109 34.372 1.00 1.36 C ATOM 136 NH1 ARG A 10 -12.229 -7.776 34.598 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.439 -7.408 34.899 1.00 1.91 N ATOM 0 H ARG A 10 -9.941 -11.162 29.013 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.275 -11.575 30.897 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.286 -10.266 31.863 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.424 -9.150 30.519 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.680 -8.146 32.317 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.880 -8.783 31.210 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -13.023 -10.892 32.627 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.885 -10.186 33.757 1.00 0.86 H new ATOM 0 HE ARG A 10 -14.721 -9.397 33.447 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -11.472 -8.323 34.187 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -12.016 -6.970 35.185 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.410 -7.666 34.724 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -14.223 -6.602 35.486 1.00 1.91 H new ATOM 151 N LYS A 11 -13.701 -9.984 29.471 1.00 0.32 N ATOM 152 CA LYS A 11 -14.583 -9.427 28.404 1.00 0.29 C ATOM 153 C LYS A 11 -14.371 -7.915 28.273 1.00 0.26 C ATOM 154 O LYS A 11 -14.084 -7.233 29.236 1.00 0.27 O ATOM 155 CB LYS A 11 -16.008 -9.731 28.866 1.00 0.33 C ATOM 156 CG LYS A 11 -16.211 -11.246 28.929 1.00 1.02 C ATOM 157 CD LYS A 11 -17.668 -11.552 29.282 1.00 1.03 C ATOM 158 CE LYS A 11 -17.842 -13.061 29.473 1.00 1.81 C ATOM 159 NZ LYS A 11 -17.802 -13.629 28.097 1.00 2.21 N ATOM 0 H LYS A 11 -14.129 -10.062 30.394 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.370 -9.862 27.427 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.186 -9.288 29.846 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.727 -9.285 28.179 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.955 -11.698 27.971 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.546 -11.682 29.674 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.951 -11.025 30.193 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.327 -11.197 28.490 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -17.048 -13.475 30.094 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.786 -13.290 29.968 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -18.682 -14.151 27.911 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -17.704 -12.858 27.406 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -16.992 -14.275 28.012 1.00 2.21 H new ATOM 173 N VAL A 12 -14.526 -7.384 27.089 1.00 0.22 N ATOM 174 CA VAL A 12 -14.351 -5.914 26.901 1.00 0.21 C ATOM 175 C VAL A 12 -15.634 -5.184 27.300 1.00 0.20 C ATOM 176 O VAL A 12 -16.710 -5.526 26.856 1.00 0.20 O ATOM 177 CB VAL A 12 -14.088 -5.729 25.404 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.557 -4.317 25.153 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.060 -6.756 24.926 1.00 0.28 C ATOM 0 H VAL A 12 -14.766 -7.904 26.245 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.541 -5.515 27.511 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.018 -5.873 24.854 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.369 -4.183 24.088 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.294 -3.586 25.486 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.629 -4.174 25.706 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.877 -6.619 23.860 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.128 -6.620 25.474 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.441 -7.762 25.102 1.00 0.28 H new ATOM 189 N ASP A 13 -15.534 -4.191 28.137 1.00 0.20 N ATOM 190 CA ASP A 13 -16.761 -3.463 28.564 1.00 0.21 C ATOM 191 C ASP A 13 -17.104 -2.363 27.549 1.00 0.22 C ATOM 192 O ASP A 13 -16.548 -2.305 26.471 1.00 0.22 O ATOM 193 CB ASP A 13 -16.432 -2.883 29.947 1.00 0.21 C ATOM 194 CG ASP A 13 -15.825 -1.486 29.812 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.626 -1.390 29.625 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.575 -0.528 29.894 1.00 0.55 O ATOM 0 H ASP A 13 -14.661 -3.853 28.542 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.635 -4.112 28.614 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.337 -2.836 30.553 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.735 -3.540 30.467 1.00 0.21 H new ATOM 201 N GLU A 14 -18.096 -1.569 27.838 1.00 0.23 N ATOM 202 CA GLU A 14 -18.576 -0.572 26.835 1.00 0.26 C ATOM 203 C GLU A 14 -17.430 0.306 26.315 1.00 0.26 C ATOM 204 O GLU A 14 -17.419 0.690 25.161 1.00 0.29 O ATOM 205 CB GLU A 14 -19.598 0.278 27.588 1.00 0.28 C ATOM 206 CG GLU A 14 -20.227 1.290 26.629 1.00 1.22 C ATOM 207 CD GLU A 14 -21.125 0.558 25.631 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.600 -0.515 25.966 1.00 2.19 O ATOM 209 OE2 GLU A 14 -21.324 1.083 24.547 1.00 1.99 O ATOM 0 H GLU A 14 -18.598 -1.566 28.726 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.000 -1.062 25.958 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.370 -0.360 28.018 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.115 0.797 28.416 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -20.809 2.023 27.188 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -19.448 1.838 26.099 1.00 1.22 H new ATOM 216 N LEU A 15 -16.551 0.745 27.171 1.00 0.23 N ATOM 217 CA LEU A 15 -15.521 1.731 26.726 1.00 0.24 C ATOM 218 C LEU A 15 -14.297 1.036 26.117 1.00 0.22 C ATOM 219 O LEU A 15 -13.379 1.684 25.656 1.00 0.24 O ATOM 220 CB LEU A 15 -15.124 2.500 27.984 1.00 0.28 C ATOM 221 CG LEU A 15 -13.973 3.451 27.650 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.309 4.239 26.382 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.765 4.425 28.812 1.00 1.38 C ATOM 0 H LEU A 15 -16.499 0.469 28.151 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.916 2.385 25.949 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.977 3.062 28.366 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.822 1.806 28.769 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.063 2.874 27.488 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.488 4.916 26.146 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.459 3.547 25.553 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.220 4.816 26.543 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.945 5.103 28.576 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.677 5.000 28.973 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.524 3.866 29.716 1.00 1.38 H new ATOM 235 N GLY A 16 -14.244 -0.266 26.144 1.00 0.21 N ATOM 236 CA GLY A 16 -13.037 -0.954 25.602 1.00 0.19 C ATOM 237 C GLY A 16 -11.915 -0.924 26.643 1.00 0.20 C ATOM 238 O GLY A 16 -10.792 -0.554 26.351 1.00 0.20 O ATOM 0 H GLY A 16 -14.973 -0.878 26.512 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.279 -1.985 25.344 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.709 -0.465 24.685 1.00 0.19 H new ATOM 242 N ARG A 17 -12.221 -1.243 27.870 1.00 0.24 N ATOM 243 CA ARG A 17 -11.186 -1.168 28.936 1.00 0.26 C ATOM 244 C ARG A 17 -10.889 -2.568 29.480 1.00 0.26 C ATOM 245 O ARG A 17 -11.714 -3.457 29.420 1.00 0.26 O ATOM 246 CB ARG A 17 -11.805 -0.286 30.021 1.00 0.28 C ATOM 247 CG ARG A 17 -11.970 1.137 29.485 1.00 0.28 C ATOM 248 CD ARG A 17 -12.542 2.036 30.582 1.00 0.29 C ATOM 249 NE ARG A 17 -13.943 1.571 30.768 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.811 2.339 31.375 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.438 3.495 31.857 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.051 1.954 31.503 1.00 1.15 N ATOM 0 H ARG A 17 -13.143 -1.552 28.179 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.241 -0.764 28.573 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.772 -0.687 30.323 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.171 -0.281 30.907 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.008 1.524 29.149 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.633 1.136 28.620 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.970 1.945 31.505 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.510 3.085 30.289 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.227 0.654 30.423 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.469 3.799 31.760 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.116 4.093 32.330 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.346 1.052 31.129 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.725 2.555 31.977 1.00 1.15 H new ATOM 266 N VAL A 18 -9.717 -2.768 30.014 1.00 0.26 N ATOM 267 CA VAL A 18 -9.366 -4.107 30.569 1.00 0.25 C ATOM 268 C VAL A 18 -8.926 -3.965 32.026 1.00 0.24 C ATOM 269 O VAL A 18 -8.503 -2.910 32.454 1.00 0.24 O ATOM 270 CB VAL A 18 -8.210 -4.607 29.704 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.640 -4.626 28.236 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.008 -3.674 29.871 1.00 0.26 C ATOM 0 H VAL A 18 -8.985 -2.062 30.091 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.209 -4.798 30.553 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.935 -5.615 30.014 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.815 -4.983 27.620 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.496 -5.290 28.116 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.916 -3.619 27.925 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.183 -4.030 29.254 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.284 -2.666 29.561 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.700 -3.661 30.917 1.00 0.26 H new ATOM 282 N VAL A 19 -9.104 -4.990 32.812 1.00 0.22 N ATOM 283 CA VAL A 19 -8.785 -4.873 34.263 1.00 0.21 C ATOM 284 C VAL A 19 -7.587 -5.752 34.624 1.00 0.22 C ATOM 285 O VAL A 19 -7.545 -6.922 34.304 1.00 0.23 O ATOM 286 CB VAL A 19 -10.042 -5.365 34.979 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.913 -5.100 36.480 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.263 -4.622 34.431 1.00 0.24 C ATOM 0 H VAL A 19 -9.455 -5.900 32.514 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.520 -3.854 34.544 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.161 -6.435 34.810 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.810 -5.451 36.990 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.043 -5.629 36.870 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.793 -4.030 36.652 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.161 -4.972 34.941 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.144 -3.552 34.600 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.355 -4.813 33.362 1.00 0.24 H new ATOM 298 N ILE A 20 -6.665 -5.223 35.383 1.00 0.22 N ATOM 299 CA ILE A 20 -5.535 -6.061 35.871 1.00 0.24 C ATOM 300 C ILE A 20 -5.973 -6.836 37.118 1.00 0.24 C ATOM 301 O ILE A 20 -6.502 -6.260 38.042 1.00 0.23 O ATOM 302 CB ILE A 20 -4.426 -5.055 36.203 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.622 -4.750 34.938 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.491 -5.630 37.273 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.524 -4.059 33.914 1.00 1.38 C ATOM 0 H ILE A 20 -6.646 -4.249 35.685 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.202 -6.800 35.143 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.880 -4.140 36.583 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.772 -4.111 35.180 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.219 -5.672 34.519 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.708 -4.906 37.499 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.061 -5.843 38.177 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.038 -6.550 36.904 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -3.951 -3.842 33.013 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.359 -4.714 33.664 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.906 -3.129 34.335 1.00 1.38 H new ATOM 317 N PRO A 21 -5.692 -8.110 37.124 1.00 0.28 N ATOM 318 CA PRO A 21 -6.015 -8.949 38.303 1.00 0.30 C ATOM 319 C PRO A 21 -5.335 -8.380 39.551 1.00 0.28 C ATOM 320 O PRO A 21 -4.231 -7.882 39.492 1.00 0.27 O ATOM 321 CB PRO A 21 -5.456 -10.330 37.953 1.00 0.35 C ATOM 322 CG PRO A 21 -4.599 -10.135 36.739 1.00 0.35 C ATOM 323 CD PRO A 21 -5.057 -8.877 36.054 1.00 0.32 C ATOM 0 HA PRO A 21 -7.083 -8.986 38.520 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.874 -10.736 38.780 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.261 -11.037 37.753 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.549 -10.057 37.021 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.686 -10.989 36.068 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.221 -8.334 35.614 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.757 -9.093 35.247 1.00 0.32 H new ATOM 331 N ILE A 22 -6.000 -8.409 40.672 1.00 0.30 N ATOM 332 CA ILE A 22 -5.400 -7.816 41.905 1.00 0.30 C ATOM 333 C ILE A 22 -4.038 -8.444 42.188 1.00 0.32 C ATOM 334 O ILE A 22 -3.142 -7.797 42.693 1.00 0.32 O ATOM 335 CB ILE A 22 -6.397 -8.135 43.022 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.101 -7.253 44.236 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.272 -9.608 43.417 1.00 0.42 C ATOM 338 CD1 ILE A 22 -4.730 -7.613 44.811 1.00 1.11 C ATOM 0 H ILE A 22 -6.928 -8.815 40.790 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.231 -6.743 41.810 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.410 -7.941 42.670 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.121 -6.202 43.948 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.872 -7.390 44.994 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.983 -9.833 44.212 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.485 -10.236 42.552 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.259 -9.806 43.769 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.521 -6.983 45.676 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -4.726 -8.660 45.115 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -3.964 -7.453 44.052 1.00 1.11 H new ATOM 350 N GLU A 23 -3.857 -9.686 41.841 1.00 0.36 N ATOM 351 CA GLU A 23 -2.529 -10.323 42.065 1.00 0.40 C ATOM 352 C GLU A 23 -1.445 -9.541 41.317 1.00 0.37 C ATOM 353 O GLU A 23 -0.346 -9.355 41.801 1.00 0.39 O ATOM 354 CB GLU A 23 -2.667 -11.730 41.482 1.00 0.44 C ATOM 355 CG GLU A 23 -3.707 -12.515 42.284 1.00 1.22 C ATOM 356 CD GLU A 23 -3.795 -13.944 41.745 1.00 1.62 C ATOM 357 OE1 GLU A 23 -3.198 -14.206 40.715 1.00 2.37 O ATOM 358 OE2 GLU A 23 -4.459 -14.753 42.373 1.00 2.01 O ATOM 0 H GLU A 23 -4.564 -10.285 41.415 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.246 -10.342 43.118 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.966 -11.674 40.435 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.706 -12.243 41.512 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -3.433 -12.529 43.339 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -4.680 -12.028 42.214 1.00 1.22 H new ATOM 365 N LEU A 24 -1.776 -9.020 40.168 1.00 0.34 N ATOM 366 CA LEU A 24 -0.804 -8.185 39.411 1.00 0.33 C ATOM 367 C LEU A 24 -0.789 -6.759 39.957 1.00 0.29 C ATOM 368 O LEU A 24 0.230 -6.101 39.954 1.00 0.29 O ATOM 369 CB LEU A 24 -1.299 -8.204 37.964 1.00 0.33 C ATOM 370 CG LEU A 24 -1.230 -9.631 37.418 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.553 -9.621 35.922 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.178 -10.188 37.630 1.00 1.75 C ATOM 0 H LEU A 24 -2.684 -9.138 39.719 1.00 0.34 H new ATOM 0 HA LEU A 24 0.214 -8.565 39.495 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.323 -7.834 37.914 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.690 -7.539 37.352 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.953 -10.256 37.942 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.504 -10.638 35.532 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.556 -9.222 35.769 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.830 -8.996 35.398 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.229 -11.205 37.241 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.900 -9.562 37.105 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.410 -10.194 38.695 1.00 1.75 H new ATOM 384 N ARG A 25 -1.880 -6.303 40.511 1.00 0.25 N ATOM 385 CA ARG A 25 -1.863 -4.955 41.145 1.00 0.23 C ATOM 386 C ARG A 25 -0.775 -4.920 42.214 1.00 0.25 C ATOM 387 O ARG A 25 -0.029 -3.968 42.326 1.00 0.25 O ATOM 388 CB ARG A 25 -3.238 -4.773 41.798 1.00 0.22 C ATOM 389 CG ARG A 25 -4.351 -4.853 40.752 1.00 0.21 C ATOM 390 CD ARG A 25 -5.681 -4.466 41.412 1.00 0.22 C ATOM 391 NE ARG A 25 -6.739 -5.028 40.532 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.946 -5.215 40.994 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.233 -4.907 42.230 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.869 -5.714 40.217 1.00 0.27 N ATOM 0 H ARG A 25 -2.771 -6.798 40.552 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.661 -4.166 40.420 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.390 -5.541 42.557 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.279 -3.810 42.307 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.135 -4.184 39.919 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.412 -5.862 40.343 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.752 -4.873 42.420 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.776 -3.384 41.498 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.522 -5.268 39.565 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.513 -4.519 42.839 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.177 -5.055 42.586 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.646 -5.957 39.252 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.813 -5.861 40.575 1.00 0.27 H new ATOM 408 N ARG A 26 -0.698 -5.944 43.015 1.00 0.29 N ATOM 409 CA ARG A 26 0.328 -5.961 44.101 1.00 0.33 C ATOM 410 C ARG A 26 1.731 -6.168 43.522 1.00 0.35 C ATOM 411 O ARG A 26 2.667 -5.478 43.873 1.00 0.35 O ATOM 412 CB ARG A 26 -0.054 -7.142 44.993 1.00 0.37 C ATOM 413 CG ARG A 26 -1.379 -6.844 45.699 1.00 1.07 C ATOM 414 CD ARG A 26 -1.677 -7.955 46.709 1.00 1.25 C ATOM 415 NE ARG A 26 -3.037 -7.645 47.231 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.675 -8.521 47.960 1.00 2.32 C ATOM 417 NH1 ARG A 26 -3.125 -9.672 48.235 1.00 2.40 N ATOM 418 NH2 ARG A 26 -4.867 -8.244 48.415 1.00 3.26 N ATOM 0 H ARG A 26 -1.297 -6.768 42.968 1.00 0.29 H new ATOM 0 HA ARG A 26 0.350 -5.019 44.649 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.145 -8.048 44.394 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.729 -7.323 45.729 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.325 -5.881 46.206 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.185 -6.775 44.969 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -1.650 -8.937 46.236 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -0.939 -7.968 47.511 1.00 1.25 H new ATOM 0 HE ARG A 26 -3.471 -6.747 47.019 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -2.194 -9.890 47.880 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -3.626 -10.354 48.805 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.298 -7.345 48.201 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -5.367 -8.927 48.984 1.00 3.26 H new ATOM 432 N THR A 27 1.889 -7.129 42.654 1.00 0.37 N ATOM 433 CA THR A 27 3.238 -7.410 42.083 1.00 0.41 C ATOM 434 C THR A 27 3.752 -6.215 41.274 1.00 0.39 C ATOM 435 O THR A 27 4.941 -5.986 41.181 1.00 0.42 O ATOM 436 CB THR A 27 3.039 -8.625 41.174 1.00 0.44 C ATOM 437 OG1 THR A 27 2.442 -9.677 41.919 1.00 0.61 O ATOM 438 CG2 THR A 27 4.392 -9.084 40.629 1.00 0.77 C ATOM 0 H THR A 27 1.141 -7.733 42.314 1.00 0.37 H new ATOM 0 HA THR A 27 3.976 -7.594 42.864 1.00 0.41 H new ATOM 0 HB THR A 27 2.389 -8.355 40.341 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.467 -9.621 41.840 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.249 -9.949 39.982 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.848 -8.275 40.058 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.045 -9.355 41.458 1.00 0.77 H new ATOM 446 N LEU A 28 2.875 -5.482 40.650 1.00 0.35 N ATOM 447 CA LEU A 28 3.331 -4.344 39.801 1.00 0.34 C ATOM 448 C LEU A 28 3.455 -3.063 40.632 1.00 0.32 C ATOM 449 O LEU A 28 3.907 -2.044 40.148 1.00 0.33 O ATOM 450 CB LEU A 28 2.248 -4.193 38.731 1.00 0.32 C ATOM 451 CG LEU A 28 2.730 -3.223 37.652 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.828 -3.891 36.819 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.558 -2.850 36.741 1.00 1.05 C ATOM 0 H LEU A 28 1.865 -5.619 40.689 1.00 0.35 H new ATOM 0 HA LEU A 28 4.314 -4.525 39.366 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.021 -5.163 38.288 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.326 -3.825 39.181 1.00 0.32 H new ATOM 0 HG LEU A 28 3.126 -2.324 38.123 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.172 -3.200 36.049 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.663 -4.159 37.466 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.431 -4.790 36.348 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.901 -2.158 35.972 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.163 -3.750 36.270 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.774 -2.376 37.332 1.00 1.05 H new ATOM 465 N GLY A 29 3.074 -3.104 41.879 1.00 0.32 N ATOM 466 CA GLY A 29 3.188 -1.884 42.729 1.00 0.32 C ATOM 467 C GLY A 29 2.256 -0.796 42.197 1.00 0.29 C ATOM 468 O GLY A 29 2.623 0.359 42.111 1.00 0.29 O ATOM 0 H GLY A 29 2.690 -3.926 42.345 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.932 -2.123 43.761 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.217 -1.525 42.731 1.00 0.32 H new ATOM 472 N ILE A 30 1.068 -1.158 41.812 1.00 0.27 N ATOM 473 CA ILE A 30 0.125 -0.145 41.252 1.00 0.24 C ATOM 474 C ILE A 30 -1.109 -0.001 42.144 1.00 0.23 C ATOM 475 O ILE A 30 -1.629 -0.964 42.672 1.00 0.26 O ATOM 476 CB ILE A 30 -0.269 -0.675 39.876 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.989 -0.850 39.020 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.210 0.320 39.195 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.812 0.440 39.054 1.00 0.29 C ATOM 0 H ILE A 30 0.705 -2.110 41.859 1.00 0.27 H new ATOM 0 HA ILE A 30 0.584 0.842 41.192 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.773 -1.635 39.987 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.584 -1.683 39.394 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.713 -1.091 37.993 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.491 -0.059 38.212 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.105 0.449 39.804 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.706 1.280 39.083 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.708 0.316 38.445 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.216 1.263 38.659 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.100 0.661 40.082 1.00 0.29 H new ATOM 491 N ALA A 31 -1.556 1.206 42.333 1.00 0.22 N ATOM 492 CA ALA A 31 -2.734 1.450 43.213 1.00 0.23 C ATOM 493 C ALA A 31 -3.615 2.550 42.615 1.00 0.20 C ATOM 494 O ALA A 31 -3.214 3.258 41.714 1.00 0.18 O ATOM 495 CB ALA A 31 -2.144 1.916 44.543 1.00 0.23 C ATOM 0 H ALA A 31 -1.153 2.043 41.912 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.355 0.562 43.327 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.950 2.117 45.248 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.495 1.138 44.946 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.565 2.826 44.385 1.00 0.23 H new ATOM 501 N GLU A 32 -4.814 2.696 43.102 1.00 0.22 N ATOM 502 CA GLU A 32 -5.716 3.747 42.550 1.00 0.21 C ATOM 503 C GLU A 32 -5.022 5.114 42.569 1.00 0.19 C ATOM 504 O GLU A 32 -4.264 5.422 43.466 1.00 0.20 O ATOM 505 CB GLU A 32 -6.931 3.754 43.478 1.00 0.25 C ATOM 506 CG GLU A 32 -7.982 4.722 42.931 1.00 0.27 C ATOM 507 CD GLU A 32 -9.150 4.818 43.914 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.098 4.151 44.934 1.00 1.13 O ATOM 509 OE2 GLU A 32 -10.076 5.560 43.632 1.00 1.12 O ATOM 0 H GLU A 32 -5.209 2.135 43.857 1.00 0.22 H new ATOM 0 HA GLU A 32 -5.991 3.547 41.514 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.350 2.751 43.555 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.633 4.053 44.483 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.540 5.707 42.778 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.338 4.378 41.960 1.00 0.27 H new ATOM 516 N LYS A 33 -5.322 5.946 41.604 1.00 0.19 N ATOM 517 CA LYS A 33 -4.744 7.328 41.562 1.00 0.20 C ATOM 518 C LYS A 33 -3.274 7.299 41.127 1.00 0.18 C ATOM 519 O LYS A 33 -2.686 8.327 40.851 1.00 0.21 O ATOM 520 CB LYS A 33 -4.872 7.876 42.987 1.00 0.23 C ATOM 521 CG LYS A 33 -4.734 9.400 42.959 1.00 0.29 C ATOM 522 CD LYS A 33 -4.805 9.947 44.386 1.00 0.87 C ATOM 523 CE LYS A 33 -4.833 11.475 44.348 1.00 1.35 C ATOM 524 NZ LYS A 33 -6.263 11.827 44.124 1.00 1.88 N ATOM 0 H LYS A 33 -5.951 5.725 40.832 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.268 7.953 40.839 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.836 7.595 43.412 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.103 7.442 43.626 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.787 9.681 42.497 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.527 9.836 42.351 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.696 9.569 44.887 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -3.946 9.603 44.961 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.463 11.900 45.281 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -4.201 11.862 43.549 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -6.323 12.657 43.500 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.753 11.024 43.680 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -6.713 12.046 45.035 1.00 1.88 H new ATOM 538 N ASP A 34 -2.704 6.136 40.956 1.00 0.16 N ATOM 539 CA ASP A 34 -1.315 6.069 40.414 1.00 0.16 C ATOM 540 C ASP A 34 -1.332 6.300 38.902 1.00 0.19 C ATOM 541 O ASP A 34 -2.379 6.336 38.287 1.00 0.20 O ATOM 542 CB ASP A 34 -0.822 4.662 40.741 1.00 0.17 C ATOM 543 CG ASP A 34 -0.521 4.570 42.236 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.580 5.593 42.899 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.237 3.478 42.692 1.00 1.08 O ATOM 0 H ASP A 34 -3.136 5.236 41.166 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.666 6.831 40.845 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.576 3.926 40.464 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.073 4.434 40.163 1.00 0.17 H new ATOM 550 N ALA A 35 -0.193 6.541 38.313 1.00 0.22 N ATOM 551 CA ALA A 35 -0.167 6.869 36.858 1.00 0.28 C ATOM 552 C ALA A 35 0.345 5.679 36.040 1.00 0.20 C ATOM 553 O ALA A 35 1.387 5.120 36.321 1.00 0.16 O ATOM 554 CB ALA A 35 0.789 8.055 36.743 1.00 0.36 C ATOM 0 H ALA A 35 0.717 6.525 38.773 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.160 7.101 36.472 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.866 8.361 35.700 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.411 8.886 37.338 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.774 7.765 37.109 1.00 0.36 H new ATOM 560 N LEU A 36 -0.340 5.347 34.979 1.00 0.24 N ATOM 561 CA LEU A 36 0.143 4.262 34.072 1.00 0.21 C ATOM 562 C LEU A 36 0.596 4.870 32.745 1.00 0.20 C ATOM 563 O LEU A 36 -0.060 5.739 32.207 1.00 0.23 O ATOM 564 CB LEU A 36 -1.075 3.370 33.838 1.00 0.34 C ATOM 565 CG LEU A 36 -1.744 3.034 35.169 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.167 2.542 34.901 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.951 1.933 35.877 1.00 0.56 C ATOM 0 H LEU A 36 -1.219 5.782 34.699 1.00 0.24 H new ATOM 0 HA LEU A 36 0.983 3.711 34.495 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.785 3.875 33.183 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.772 2.453 33.333 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.772 3.922 35.801 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.652 2.300 35.846 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.732 3.323 34.393 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.132 1.652 34.273 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.429 1.694 36.827 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.925 1.042 35.249 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.067 2.278 36.060 1.00 0.56 H new ATOM 579 N GLU A 37 1.615 4.330 32.135 1.00 0.19 N ATOM 580 CA GLU A 37 1.972 4.798 30.767 1.00 0.21 C ATOM 581 C GLU A 37 1.626 3.714 29.745 1.00 0.19 C ATOM 582 O GLU A 37 1.702 2.534 30.028 1.00 0.20 O ATOM 583 CB GLU A 37 3.478 5.063 30.804 1.00 0.25 C ATOM 584 CG GLU A 37 3.926 5.649 29.463 1.00 0.26 C ATOM 585 CD GLU A 37 5.440 5.859 29.478 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.048 5.569 30.495 1.00 1.17 O ATOM 587 OE2 GLU A 37 5.966 6.310 28.473 1.00 1.08 O ATOM 0 H GLU A 37 2.209 3.595 32.519 1.00 0.19 H new ATOM 0 HA GLU A 37 1.425 5.695 30.477 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.717 5.754 31.613 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.016 4.137 31.006 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.649 4.977 28.650 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.419 6.596 29.280 1.00 0.26 H new ATOM 594 N ILE A 38 1.105 4.110 28.620 1.00 0.21 N ATOM 595 CA ILE A 38 0.583 3.116 27.643 1.00 0.20 C ATOM 596 C ILE A 38 1.491 3.041 26.417 1.00 0.20 C ATOM 597 O ILE A 38 1.870 4.047 25.843 1.00 0.24 O ATOM 598 CB ILE A 38 -0.800 3.637 27.251 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.658 3.801 28.507 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.471 2.642 26.302 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.990 4.454 28.135 1.00 0.84 C ATOM 0 H ILE A 38 1.017 5.085 28.333 1.00 0.21 H new ATOM 0 HA ILE A 38 0.540 2.112 28.064 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.697 4.601 26.753 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.834 2.830 28.969 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.134 4.413 29.241 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.457 3.014 26.023 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.860 2.525 25.407 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.574 1.678 26.800 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.601 4.570 29.030 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.804 5.433 27.692 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.516 3.825 27.417 1.00 0.84 H new ATOM 613 N TYR A 39 1.848 1.847 26.035 1.00 0.19 N ATOM 614 CA TYR A 39 2.750 1.645 24.867 1.00 0.21 C ATOM 615 C TYR A 39 2.023 0.855 23.773 1.00 0.20 C ATOM 616 O TYR A 39 1.154 0.056 24.054 1.00 0.20 O ATOM 617 CB TYR A 39 3.902 0.810 25.422 1.00 0.24 C ATOM 618 CG TYR A 39 4.876 1.679 26.167 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.494 2.315 27.353 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.171 1.828 25.677 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.415 3.109 28.048 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.094 2.619 26.366 1.00 0.36 C ATOM 623 CZ TYR A 39 6.717 3.261 27.553 1.00 0.39 C ATOM 624 OH TYR A 39 7.628 4.046 28.230 1.00 0.45 O ATOM 0 H TYR A 39 1.547 0.986 26.492 1.00 0.19 H new ATOM 0 HA TYR A 39 3.081 2.586 24.427 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.512 0.039 26.087 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.413 0.299 24.606 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.490 2.194 27.732 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.462 1.331 24.763 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.122 3.603 28.963 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.097 2.735 25.984 1.00 0.36 H new ATOM 0 HH TYR A 39 8.047 4.674 27.605 1.00 0.45 H new ATOM 634 N VAL A 40 2.464 0.962 22.551 1.00 0.21 N ATOM 635 CA VAL A 40 1.892 0.091 21.483 1.00 0.22 C ATOM 636 C VAL A 40 3.010 -0.556 20.660 1.00 0.22 C ATOM 637 O VAL A 40 3.860 0.116 20.112 1.00 0.23 O ATOM 638 CB VAL A 40 1.059 1.027 20.608 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.534 0.254 19.397 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.122 1.561 21.421 1.00 0.27 C ATOM 0 H VAL A 40 3.190 1.609 22.245 1.00 0.21 H new ATOM 0 HA VAL A 40 1.295 -0.722 21.897 1.00 0.22 H new ATOM 0 HB VAL A 40 1.676 1.859 20.270 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.061 0.919 18.771 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.374 -0.133 18.820 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.086 -0.576 19.736 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.719 2.229 20.800 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.740 0.728 21.755 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.250 2.107 22.288 1.00 0.27 H new ATOM 650 N ASP A 41 3.007 -1.859 20.554 1.00 0.21 N ATOM 651 CA ASP A 41 4.058 -2.543 19.747 1.00 0.22 C ATOM 652 C ASP A 41 3.500 -3.812 19.091 1.00 0.25 C ATOM 653 O ASP A 41 2.760 -4.557 19.696 1.00 0.27 O ATOM 654 CB ASP A 41 5.160 -2.894 20.747 1.00 0.20 C ATOM 655 CG ASP A 41 4.621 -3.883 21.781 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.414 -4.039 21.853 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.427 -4.470 22.486 1.00 1.69 O ATOM 0 H ASP A 41 2.323 -2.477 20.991 1.00 0.21 H new ATOM 0 HA ASP A 41 4.425 -1.912 18.938 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.013 -3.327 20.225 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.515 -1.991 21.244 1.00 0.20 H new ATOM 662 N ASP A 42 3.944 -4.124 17.905 1.00 0.27 N ATOM 663 CA ASP A 42 3.545 -5.414 17.266 1.00 0.33 C ATOM 664 C ASP A 42 2.049 -5.694 17.463 1.00 0.33 C ATOM 665 O ASP A 42 1.651 -6.813 17.718 1.00 0.37 O ATOM 666 CB ASP A 42 4.387 -6.471 17.974 1.00 0.38 C ATOM 667 CG ASP A 42 4.028 -7.858 17.437 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.285 -7.924 16.473 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.506 -8.832 17.997 1.00 1.14 O ATOM 0 H ASP A 42 4.568 -3.541 17.348 1.00 0.27 H new ATOM 0 HA ASP A 42 3.710 -5.402 16.189 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.447 -6.272 17.816 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.212 -6.430 19.049 1.00 0.38 H new ATOM 674 N GLU A 43 1.214 -4.707 17.276 1.00 0.30 N ATOM 675 CA GLU A 43 -0.260 -4.939 17.370 1.00 0.31 C ATOM 676 C GLU A 43 -0.642 -5.434 18.770 1.00 0.30 C ATOM 677 O GLU A 43 -1.772 -5.794 19.025 1.00 0.31 O ATOM 678 CB GLU A 43 -0.564 -6.009 16.320 1.00 0.35 C ATOM 679 CG GLU A 43 -2.078 -6.185 16.191 1.00 1.17 C ATOM 680 CD GLU A 43 -2.379 -7.319 15.209 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.436 -7.913 14.713 1.00 1.93 O ATOM 682 OE2 GLU A 43 -3.548 -7.574 14.969 1.00 1.68 O ATOM 0 H GLU A 43 1.488 -3.748 17.062 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.827 -4.024 17.197 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.138 -5.721 15.359 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.101 -6.954 16.604 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.513 -6.408 17.165 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.534 -5.258 15.843 1.00 1.17 H new ATOM 689 N LYS A 44 0.268 -5.362 19.698 1.00 0.29 N ATOM 690 CA LYS A 44 -0.065 -5.723 21.105 1.00 0.30 C ATOM 691 C LYS A 44 -0.046 -4.474 21.985 1.00 0.27 C ATOM 692 O LYS A 44 0.666 -3.528 21.716 1.00 0.26 O ATOM 693 CB LYS A 44 1.031 -6.694 21.547 1.00 0.34 C ATOM 694 CG LYS A 44 0.866 -8.031 20.825 1.00 1.29 C ATOM 695 CD LYS A 44 1.875 -9.035 21.385 1.00 1.23 C ATOM 696 CE LYS A 44 1.694 -10.386 20.692 1.00 1.90 C ATOM 697 NZ LYS A 44 2.911 -10.553 19.849 1.00 2.01 N ATOM 0 H LYS A 44 1.232 -5.068 19.544 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.058 -6.166 21.188 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.012 -6.272 21.329 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.982 -6.845 22.625 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.149 -8.406 20.957 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.021 -7.901 19.754 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.890 -8.669 21.231 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.735 -9.145 22.460 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.603 -11.193 21.419 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.789 -10.400 20.085 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.753 -11.315 19.159 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.109 -9.665 19.345 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.721 -10.796 20.454 1.00 2.01 H new ATOM 711 N ILE A 45 -0.788 -4.479 23.055 1.00 0.28 N ATOM 712 CA ILE A 45 -0.770 -3.308 23.973 1.00 0.27 C ATOM 713 C ILE A 45 0.253 -3.538 25.089 1.00 0.27 C ATOM 714 O ILE A 45 0.237 -4.552 25.757 1.00 0.29 O ATOM 715 CB ILE A 45 -2.184 -3.241 24.544 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.189 -3.153 23.394 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.318 -2.002 25.432 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.602 -3.372 23.934 1.00 1.25 C ATOM 0 H ILE A 45 -1.405 -5.242 23.334 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.490 -2.383 23.470 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.381 -4.135 25.136 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.120 -2.179 22.910 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.958 -3.902 22.637 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.328 -1.954 25.840 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.599 -2.061 26.249 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.123 -1.108 24.840 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.318 -3.309 23.115 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.666 -4.357 24.397 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.831 -2.606 24.675 1.00 1.25 H new ATOM 730 N ILE A 46 1.126 -2.592 25.302 1.00 0.26 N ATOM 731 CA ILE A 46 2.144 -2.729 26.383 1.00 0.29 C ATOM 732 C ILE A 46 1.880 -1.700 27.484 1.00 0.29 C ATOM 733 O ILE A 46 1.886 -0.514 27.248 1.00 0.31 O ATOM 734 CB ILE A 46 3.488 -2.455 25.692 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.719 -3.503 24.602 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.628 -2.508 26.714 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.464 -4.896 25.173 1.00 0.50 C ATOM 0 H ILE A 46 1.178 -1.723 24.770 1.00 0.26 H new ATOM 0 HA ILE A 46 2.123 -3.710 26.857 1.00 0.29 H new ATOM 0 HB ILE A 46 3.466 -1.461 25.245 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.055 -3.317 23.758 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.740 -3.434 24.226 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.576 -2.312 26.212 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.462 -1.754 27.483 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.658 -3.496 27.174 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.628 -5.643 24.397 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.146 -5.079 26.003 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.435 -4.961 25.527 1.00 0.50 H new ATOM 749 N LEU A 47 1.633 -2.144 28.684 1.00 0.28 N ATOM 750 CA LEU A 47 1.360 -1.174 29.787 1.00 0.29 C ATOM 751 C LEU A 47 2.424 -1.301 30.877 1.00 0.31 C ATOM 752 O LEU A 47 2.769 -2.387 31.296 1.00 0.39 O ATOM 753 CB LEU A 47 -0.010 -1.561 30.336 1.00 0.34 C ATOM 754 CG LEU A 47 -1.043 -1.528 29.207 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.933 -2.803 28.370 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.449 -1.435 29.808 1.00 1.24 C ATOM 0 H LEU A 47 1.608 -3.128 28.950 1.00 0.28 H new ATOM 0 HA LEU A 47 1.380 -0.142 29.437 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.031 -2.557 30.776 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.302 -0.874 31.130 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.857 -0.662 28.572 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.670 -2.776 27.567 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.067 -2.872 27.942 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.118 -3.671 29.003 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.187 -1.411 29.006 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.631 -2.302 30.443 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.531 -0.526 30.403 1.00 1.24 H new ATOM 768 N LYS A 48 2.933 -0.198 31.350 1.00 0.29 N ATOM 769 CA LYS A 48 3.963 -0.256 32.428 1.00 0.35 C ATOM 770 C LYS A 48 3.742 0.873 33.435 1.00 0.28 C ATOM 771 O LYS A 48 3.098 1.859 33.140 1.00 0.25 O ATOM 772 CB LYS A 48 5.305 -0.080 31.715 1.00 0.47 C ATOM 773 CG LYS A 48 5.406 1.333 31.132 1.00 0.65 C ATOM 774 CD LYS A 48 6.758 1.496 30.436 1.00 0.85 C ATOM 775 CE LYS A 48 7.253 2.933 30.612 1.00 1.54 C ATOM 776 NZ LYS A 48 8.658 2.918 30.119 1.00 1.74 N ATOM 0 H LYS A 48 2.682 0.740 31.038 1.00 0.29 H new ATOM 0 HA LYS A 48 3.919 -1.192 32.984 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.123 -0.253 32.414 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.403 -0.819 30.919 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.596 1.505 30.423 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.300 2.074 31.924 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.482 0.797 30.856 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.664 1.260 29.376 1.00 0.85 H new ATOM 0 HE2 LYS A 48 6.642 3.634 30.043 1.00 1.54 H new ATOM 0 HE3 LYS A 48 7.204 3.243 31.656 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 9.279 3.361 30.826 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 8.960 1.935 29.960 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.718 3.447 29.226 1.00 1.74 H new ATOM 790 N LYS A 49 4.316 0.766 34.602 1.00 0.28 N ATOM 791 CA LYS A 49 4.184 1.869 35.594 1.00 0.25 C ATOM 792 C LYS A 49 4.714 3.173 35.000 1.00 0.22 C ATOM 793 O LYS A 49 5.597 3.172 34.167 1.00 0.24 O ATOM 794 CB LYS A 49 5.033 1.442 36.788 1.00 0.29 C ATOM 795 CG LYS A 49 4.896 2.473 37.911 1.00 0.30 C ATOM 796 CD LYS A 49 5.687 2.005 39.133 1.00 0.54 C ATOM 797 CE LYS A 49 7.185 2.057 38.822 1.00 1.08 C ATOM 798 NZ LYS A 49 7.679 3.281 39.512 1.00 1.65 N ATOM 0 H LYS A 49 4.868 -0.034 34.910 1.00 0.28 H new ATOM 0 HA LYS A 49 3.146 2.044 35.879 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.715 0.461 37.141 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.078 1.351 36.490 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.264 3.443 37.576 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.846 2.604 38.173 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.461 2.639 39.991 1.00 0.54 H new ATOM 0 HD3 LYS A 49 5.395 0.990 39.401 1.00 0.54 H new ATOM 0 HE2 LYS A 49 7.695 1.165 39.186 1.00 1.08 H new ATOM 0 HE3 LYS A 49 7.364 2.110 37.748 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 8.700 3.385 39.345 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.180 4.114 39.140 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.502 3.199 40.533 1.00 1.65 H new ATOM 812 N TYR A 50 4.136 4.276 35.372 1.00 0.20 N ATOM 813 CA TYR A 50 4.557 5.572 34.767 1.00 0.21 C ATOM 814 C TYR A 50 5.449 6.352 35.734 1.00 0.22 C ATOM 815 O TYR A 50 5.033 6.726 36.813 1.00 0.22 O ATOM 816 CB TYR A 50 3.255 6.331 34.514 1.00 0.20 C ATOM 817 CG TYR A 50 3.563 7.674 33.895 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.699 7.833 33.094 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.713 8.761 34.128 1.00 0.24 C ATOM 820 CE1 TYR A 50 4.984 9.080 32.526 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.998 10.007 33.561 1.00 0.28 C ATOM 822 CZ TYR A 50 4.134 10.168 32.759 1.00 0.30 C ATOM 823 OH TYR A 50 4.417 11.398 32.199 1.00 0.35 O ATOM 0 H TYR A 50 3.392 4.340 36.067 1.00 0.20 H new ATOM 0 HA TYR A 50 5.134 5.428 33.854 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.609 5.754 33.853 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.713 6.466 35.450 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.355 6.994 32.914 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.836 8.637 34.746 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.861 9.203 31.907 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.342 10.845 33.742 1.00 0.28 H new ATOM 0 HH TYR A 50 3.726 12.043 32.459 1.00 0.35 H new ATOM 995 N VAL B 9 -0.303 8.433 28.706 1.00 0.32 N ATOM 996 CA VAL B 9 -0.511 7.922 30.094 1.00 0.29 C ATOM 997 C VAL B 9 -1.943 8.196 30.567 1.00 0.32 C ATOM 998 O VAL B 9 -2.520 9.226 30.279 1.00 0.37 O ATOM 999 CB VAL B 9 0.496 8.684 30.955 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.307 8.297 32.423 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.916 8.318 30.516 1.00 0.30 C ATOM 0 HA VAL B 9 -0.367 6.843 30.155 1.00 0.29 H new ATOM 0 HB VAL B 9 0.339 9.756 30.837 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.025 8.840 33.038 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.705 8.550 32.738 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.467 7.225 32.540 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.637 8.860 31.128 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.070 7.246 30.638 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.054 8.587 29.469 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.495 7.295 31.330 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.867 7.506 31.880 1.00 0.36 C ATOM 1013 C ARG B 10 -3.867 7.243 33.388 1.00 0.31 C ATOM 1014 O ARG B 10 -2.965 6.626 33.916 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.747 6.486 31.156 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.208 6.689 31.565 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.744 7.972 30.926 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.132 8.110 31.447 1.00 1.14 N ATOM 1019 CZ ARG B 10 -9.079 7.324 31.010 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.815 6.410 30.116 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.295 7.452 31.471 1.00 1.92 N ATOM 0 H ARG B 10 -2.054 6.416 31.599 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.224 8.525 31.731 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.641 6.600 30.077 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.427 5.474 31.403 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.807 5.835 31.249 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.288 6.750 32.650 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.133 8.833 31.197 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.735 7.905 29.838 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.344 8.821 32.147 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.866 6.308 29.756 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -9.558 5.798 29.777 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.503 8.165 32.171 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -11.036 6.839 31.131 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.846 7.739 34.093 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.867 7.544 35.573 1.00 0.30 C ATOM 1037 C LYS B 11 -5.522 6.205 35.924 1.00 0.26 C ATOM 1038 O LYS B 11 -6.411 5.739 35.239 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.700 8.707 36.114 1.00 0.34 C ATOM 1040 CG LYS B 11 -4.993 10.028 35.805 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.767 11.182 36.444 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.136 12.513 36.025 1.00 1.81 C ATOM 1043 NZ LYS B 11 -3.874 12.604 36.810 1.00 2.21 N ATOM 0 H LYS B 11 -5.630 8.269 33.712 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.864 7.527 36.000 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.692 8.699 35.662 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.839 8.599 37.190 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -3.972 10.005 36.187 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.926 10.174 34.727 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.812 11.149 36.134 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.753 11.086 37.530 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.937 12.536 34.954 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.799 13.350 36.244 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -3.847 13.510 37.319 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -3.833 11.821 37.493 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -3.060 12.544 36.166 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.097 5.589 36.995 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.706 4.287 37.398 1.00 0.22 C ATOM 1059 C VAL B 12 -7.005 4.540 38.165 1.00 0.20 C ATOM 1060 O VAL B 12 -7.038 5.313 39.100 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.677 3.629 38.320 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.037 2.156 38.518 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.281 3.735 37.703 1.00 0.29 C ATOM 0 H VAL B 12 -4.356 5.930 37.607 1.00 0.23 H new ATOM 0 HA VAL B 12 -5.944 3.661 36.538 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.682 4.139 39.283 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.304 1.687 39.175 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.027 2.081 38.967 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.037 1.649 37.553 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.554 3.265 38.365 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.271 3.231 36.736 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.022 4.785 37.567 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.075 3.906 37.776 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.362 4.137 38.490 1.00 0.21 C ATOM 1075 C ASP B 13 -9.461 3.218 39.716 1.00 0.22 C ATOM 1076 O ASP B 13 -8.497 2.600 40.118 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.459 3.831 37.457 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.856 2.354 37.518 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.201 1.551 36.877 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.809 2.047 38.212 1.00 0.55 O ATOM 0 H ASP B 13 -8.115 3.243 37.002 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.454 5.156 38.867 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.331 4.456 37.648 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.103 4.077 36.456 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.583 3.229 40.382 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.696 2.478 41.667 1.00 0.26 C ATOM 1087 C GLU B 14 -10.281 1.009 41.504 1.00 0.26 C ATOM 1088 O GLU B 14 -9.714 0.422 42.404 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.175 2.573 42.045 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.399 1.903 43.402 1.00 1.22 C ATOM 1091 CD GLU B 14 -11.754 2.747 44.502 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -11.612 3.941 44.299 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -11.415 2.185 45.531 1.00 1.99 O ATOM 0 H GLU B 14 -11.426 3.725 40.093 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.038 2.893 42.430 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.484 3.617 42.088 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.788 2.090 41.284 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -13.466 1.793 43.593 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.970 0.901 43.400 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.677 0.372 40.437 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.429 -1.097 40.325 1.00 0.25 C ATOM 1102 C LEU B 15 -9.038 -1.396 39.753 1.00 0.23 C ATOM 1103 O LEU B 15 -8.644 -2.540 39.638 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.512 -1.621 39.385 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.260 -3.105 39.106 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.007 -3.840 40.426 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.486 -3.708 38.415 1.00 1.39 C ATOM 0 H LEU B 15 -11.157 0.798 39.644 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.463 -1.574 41.304 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.496 -1.485 39.833 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.505 -1.057 38.452 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.388 -3.209 38.460 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.828 -4.896 40.226 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.135 -3.411 40.920 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.878 -3.736 41.073 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.308 -4.765 38.216 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.357 -3.602 39.062 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.667 -3.187 37.475 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.304 -0.397 39.353 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.966 -0.667 38.748 1.00 0.20 C ATOM 1121 C GLY B 16 -7.143 -1.085 37.285 1.00 0.21 C ATOM 1122 O GLY B 16 -6.608 -2.085 36.841 1.00 0.21 O ATOM 0 H GLY B 16 -8.567 0.587 39.417 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.340 0.223 38.810 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.456 -1.454 39.303 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.934 -0.361 36.545 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.193 -0.749 35.131 1.00 0.27 C ATOM 1128 C ARG B 17 -7.631 0.314 34.184 1.00 0.26 C ATOM 1129 O ARG B 17 -7.495 1.468 34.540 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.715 -0.827 35.018 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.231 -1.980 35.882 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.748 -2.096 35.732 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.293 -0.889 36.409 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.551 -0.851 36.764 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.341 -1.854 36.487 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.024 0.187 37.398 1.00 1.14 N ATOM 0 H ARG B 17 -8.413 0.483 36.858 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.718 -1.693 34.863 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.163 0.113 35.341 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.006 -0.978 33.979 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.754 -2.913 35.583 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.971 -1.809 36.927 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.040 -2.126 34.682 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.122 -3.010 36.193 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.686 -0.091 36.596 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.977 -2.669 35.993 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.322 -1.822 36.765 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.412 0.973 37.618 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.006 0.213 37.673 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.312 -0.066 32.980 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.767 0.921 32.004 1.00 0.26 C ATOM 1152 C VAL B 18 -7.613 0.913 30.730 1.00 0.24 C ATOM 1153 O VAL B 18 -8.285 -0.053 30.430 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.345 0.446 31.708 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.555 0.350 33.015 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.394 -0.930 31.040 1.00 0.26 C ATOM 0 H VAL B 18 -7.405 -1.019 32.627 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.779 1.940 32.392 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.858 1.157 31.041 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.541 0.011 32.803 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.518 1.330 33.491 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.042 -0.360 33.683 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.380 -1.268 30.829 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.882 -1.641 31.707 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.955 -0.862 30.108 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.655 2.010 30.027 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.542 2.089 28.833 1.00 0.22 C ATOM 1168 C VAL B 19 -7.714 2.185 27.551 1.00 0.22 C ATOM 1169 O VAL B 19 -6.822 3.004 27.437 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.357 3.365 29.036 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.453 3.448 27.971 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.995 3.343 30.427 1.00 0.24 C ATOM 0 H VAL B 19 -7.116 2.853 30.226 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.173 1.206 28.733 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.703 4.233 28.949 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.034 4.359 28.117 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.998 3.463 26.981 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.109 2.582 28.056 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.577 4.253 30.575 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.649 2.475 30.514 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.214 3.285 31.185 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.071 1.430 26.549 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.382 1.564 25.235 1.00 0.24 C ATOM 1184 C ILE B 20 -8.001 2.724 24.448 1.00 0.24 C ATOM 1185 O ILE B 20 -9.201 2.797 24.307 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.631 0.223 24.532 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.560 -0.780 24.963 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.573 0.403 23.012 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.695 -1.059 26.461 1.00 1.38 C ATOM 0 H ILE B 20 -8.809 0.727 26.583 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.317 1.778 25.328 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.619 -0.145 24.809 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.666 -1.707 24.399 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.568 -0.385 24.744 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.751 -0.556 22.525 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.337 1.116 22.701 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.590 0.777 22.727 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -5.932 -1.774 26.768 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.567 -0.130 27.017 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.683 -1.472 26.667 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.157 3.567 23.920 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.639 4.696 23.090 1.00 0.30 C ATOM 1203 C PRO B 21 -8.465 4.165 21.913 1.00 0.28 C ATOM 1204 O PRO B 21 -8.169 3.128 21.357 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.360 5.379 22.597 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.236 4.443 22.926 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.701 3.549 24.044 1.00 0.32 C ATOM 0 HA PRO B 21 -8.283 5.383 23.639 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.408 5.569 21.525 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.220 6.343 23.085 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.961 3.852 22.052 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.349 5.001 23.225 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.303 2.539 23.941 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.377 3.922 25.016 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.526 4.838 21.564 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.397 4.329 20.466 1.00 0.30 C ATOM 1217 C ILE B 22 -9.578 4.118 19.191 1.00 0.33 C ATOM 1218 O ILE B 22 -9.844 3.221 18.416 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.452 5.419 20.260 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.619 4.853 19.447 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.834 6.601 19.510 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.139 4.494 18.040 1.00 1.11 C ATOM 0 H ILE B 22 -9.827 5.715 21.989 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.849 3.367 20.709 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.814 5.758 21.231 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.024 3.969 19.940 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -13.425 5.585 19.391 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.588 7.375 19.365 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -10.005 7.006 20.090 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.468 6.265 18.540 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -12.972 4.091 17.463 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -11.755 5.387 17.548 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.348 3.747 18.105 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.559 4.904 18.985 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.708 4.705 17.779 1.00 0.40 C ATOM 1236 C GLU B 23 -7.120 3.292 17.792 1.00 0.37 C ATOM 1237 O GLU B 23 -7.017 2.639 16.772 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.598 5.749 17.903 1.00 0.44 C ATOM 1239 CG GLU B 23 -7.203 7.151 17.828 1.00 1.22 C ATOM 1240 CD GLU B 23 -6.086 8.193 17.884 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.956 7.809 18.138 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -6.378 9.359 17.671 1.00 2.00 O ATOM 0 H GLU B 23 -8.279 5.672 19.596 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.265 4.815 16.849 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.068 5.621 18.847 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.867 5.614 17.106 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -7.774 7.263 16.906 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -7.898 7.303 18.654 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.792 2.796 18.954 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.281 1.402 19.057 1.00 0.33 C ATOM 1251 C LEU B 24 -7.441 0.405 19.037 1.00 0.29 C ATOM 1252 O LEU B 24 -7.312 -0.695 18.539 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.539 1.345 20.392 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.341 2.295 20.349 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.496 2.109 21.611 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.489 1.983 19.117 1.00 1.75 C ATOM 0 H LEU B 24 -6.857 3.299 19.839 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.631 1.141 18.222 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.209 1.624 21.205 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.203 0.327 20.591 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.695 3.324 20.297 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.642 2.786 21.580 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.102 2.329 22.490 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.141 1.080 21.663 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.635 2.659 19.085 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.135 0.953 19.171 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.089 2.114 18.217 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.598 0.801 19.498 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.768 -0.115 19.405 1.00 0.23 C ATOM 1270 C ARG B 25 -9.981 -0.505 17.942 1.00 0.26 C ATOM 1271 O ARG B 25 -10.226 -1.649 17.621 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.973 0.687 19.904 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.769 1.125 21.357 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.074 1.737 21.879 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.681 2.565 23.050 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.471 3.514 23.479 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.615 3.734 22.887 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.118 4.242 24.502 1.00 0.27 N ATOM 0 H ARG B 25 -8.781 1.707 19.929 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.624 -1.024 19.989 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.120 1.563 19.272 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.876 0.082 19.825 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.481 0.272 21.971 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.959 1.852 21.421 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.557 2.344 21.113 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.784 0.962 22.167 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.792 2.392 23.520 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.894 3.164 22.088 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.229 4.475 23.224 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.226 4.071 24.966 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.734 4.983 24.838 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.910 0.451 17.054 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.132 0.144 15.612 1.00 0.33 C ATOM 1294 C ARG B 26 -8.945 -0.633 15.035 1.00 0.35 C ATOM 1295 O ARG B 26 -9.113 -1.618 14.345 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.258 1.507 14.930 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.541 2.199 15.397 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.744 3.486 14.595 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.928 4.143 15.216 1.00 1.86 N ATOM 1300 CZ ARG B 26 -13.239 5.372 14.898 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -12.513 6.031 14.034 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -14.277 5.942 15.445 1.00 3.27 N ATOM 0 H ARG B 26 -9.708 1.428 17.265 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.016 -0.476 15.460 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.392 2.125 15.168 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.273 1.383 13.847 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.395 1.535 15.263 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.478 2.426 16.461 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -10.864 4.127 14.647 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -11.919 3.271 13.541 1.00 1.25 H new ATOM 0 HE ARG B 26 -13.497 3.633 15.891 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -11.701 5.586 13.606 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -12.758 6.990 13.788 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -14.844 5.429 16.120 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -14.521 6.901 15.198 1.00 3.27 H new ATOM 1316 N THR B 27 -7.748 -0.175 15.281 1.00 0.37 N ATOM 1317 CA THR B 27 -6.552 -0.860 14.707 1.00 0.41 C ATOM 1318 C THR B 27 -6.432 -2.288 15.246 1.00 0.39 C ATOM 1319 O THR B 27 -5.918 -3.168 14.583 1.00 0.42 O ATOM 1320 CB THR B 27 -5.360 -0.013 15.155 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.561 1.334 14.751 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.080 -0.553 14.514 1.00 0.77 C ATOM 0 H THR B 27 -7.545 0.644 15.854 1.00 0.37 H new ATOM 0 HA THR B 27 -6.612 -0.944 13.622 1.00 0.41 H new ATOM 0 HB THR B 27 -5.268 -0.058 16.240 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.013 1.826 15.468 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.230 0.051 14.833 1.00 0.77 H new ATOM 0 HG22 THR B 27 -3.927 -1.587 14.823 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.170 -0.508 13.429 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.841 -2.516 16.463 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.684 -3.875 17.057 1.00 0.35 C ATOM 1332 C LEU B 28 -7.899 -4.752 16.729 1.00 0.33 C ATOM 1333 O LEU B 28 -7.923 -5.928 17.036 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.578 -3.638 18.562 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.158 -4.937 19.253 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.693 -5.238 18.929 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.323 -4.783 20.767 1.00 1.05 C ATOM 0 H LEU B 28 -7.276 -1.823 17.071 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.811 -4.396 16.664 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.851 -2.852 18.767 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.535 -3.297 18.956 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.784 -5.756 18.899 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.394 -6.163 19.421 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.573 -5.346 17.851 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.066 -4.420 19.284 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.024 -5.707 21.261 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.696 -3.964 21.120 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.366 -4.568 20.999 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.901 -4.199 16.104 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.098 -5.017 15.752 1.00 0.32 C ATOM 1351 C GLY B 29 -10.801 -5.471 17.032 1.00 0.29 C ATOM 1352 O GLY B 29 -11.213 -6.607 17.156 1.00 0.29 O ATOM 0 H GLY B 29 -8.944 -3.220 15.822 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.782 -4.433 15.136 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.799 -5.883 15.162 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.916 -4.602 17.999 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.563 -5.001 19.282 1.00 0.24 C ATOM 1358 C ILE B 30 -12.843 -4.195 19.517 1.00 0.23 C ATOM 1359 O ILE B 30 -12.911 -3.014 19.240 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.531 -4.693 20.365 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.248 -5.478 20.081 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.088 -5.103 21.730 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.593 -6.952 19.852 1.00 0.30 C ATOM 0 H ILE B 30 -10.591 -3.636 17.957 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.852 -6.052 19.280 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.312 -3.625 20.368 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.746 -5.070 19.204 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.556 -5.381 20.918 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.352 -4.884 22.504 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.003 -4.547 21.931 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.305 -6.171 21.728 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.680 -7.512 19.650 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.076 -7.355 20.742 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.269 -7.040 19.001 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.864 -4.844 19.999 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.162 -4.151 20.232 1.00 0.23 C ATOM 1377 C ALA B 31 -15.800 -4.659 21.527 1.00 0.20 C ATOM 1378 O ALA B 31 -15.394 -5.662 22.078 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.030 -4.527 19.031 1.00 0.23 C ATOM 0 H ALA B 31 -13.856 -5.834 20.244 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.045 -3.072 20.331 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.008 -4.055 19.127 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.550 -4.185 18.114 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.152 -5.610 18.995 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.791 -3.975 22.023 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.445 -4.421 23.285 1.00 0.21 C ATOM 1387 C GLU B 32 -17.885 -5.886 23.174 1.00 0.19 C ATOM 1388 O GLU B 32 -18.292 -6.341 22.126 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.663 -3.510 23.446 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.345 -3.805 24.782 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.627 -2.978 24.896 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.913 -2.234 23.972 1.00 1.13 O ATOM 1393 OE2 GLU B 32 -21.300 -3.103 25.906 1.00 1.12 O ATOM 0 H GLU B 32 -17.177 -3.126 21.610 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.770 -4.358 24.138 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.357 -2.465 23.404 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.362 -3.670 22.625 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.577 -4.867 24.857 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.672 -3.567 25.606 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.848 -6.603 24.267 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.311 -8.027 24.279 1.00 0.20 C ATOM 1402 C LYS B 33 -17.288 -8.947 23.600 1.00 0.18 C ATOM 1403 O LYS B 33 -17.391 -10.155 23.674 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.637 -8.040 23.512 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.403 -9.322 23.846 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.701 -9.365 23.039 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.545 -10.559 23.492 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.284 -10.077 24.691 1.00 1.88 N ATOM 0 H LYS B 33 -17.512 -6.259 25.166 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.429 -8.394 25.298 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.233 -7.167 23.778 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.450 -7.983 22.440 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.791 -10.194 23.617 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.624 -9.359 24.913 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.259 -8.439 23.177 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.478 -9.447 21.975 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -23.231 -10.877 22.707 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.917 -11.417 23.734 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -23.356 -10.847 25.387 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -22.774 -9.275 25.114 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -24.238 -9.772 24.411 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.247 -8.398 23.033 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.171 -9.267 22.472 1.00 0.16 C ATOM 1424 C ASP B 34 -14.291 -9.804 23.601 1.00 0.19 C ATOM 1425 O ASP B 34 -14.403 -9.385 24.735 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.366 -8.363 21.541 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.174 -8.099 20.272 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.220 -8.709 20.119 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.733 -7.292 19.476 1.00 1.09 O ATOM 0 H ASP B 34 -16.095 -7.394 22.934 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.572 -10.131 21.942 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.133 -7.422 22.040 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.416 -8.834 21.290 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.478 -10.786 23.321 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.670 -11.411 24.406 1.00 0.28 C ATOM 1436 C ALA B 35 -11.205 -10.967 24.322 1.00 0.20 C ATOM 1437 O ALA B 35 -10.576 -11.052 23.286 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.790 -12.915 24.166 1.00 0.36 C ATOM 0 H ALA B 35 -13.339 -11.181 22.391 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.023 -11.121 25.396 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.221 -13.451 24.925 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.838 -13.210 24.222 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.397 -13.158 23.179 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.638 -10.574 25.431 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.189 -10.216 25.456 1.00 0.21 C ATOM 1446 C LEU B 36 -8.415 -11.272 26.246 1.00 0.19 C ATOM 1447 O LEU B 36 -8.855 -11.709 27.288 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.122 -8.878 26.192 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.155 -7.910 25.618 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.387 -6.786 26.626 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.631 -7.323 24.305 1.00 0.56 C ATOM 0 H LEU B 36 -11.119 -10.485 26.326 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.760 -10.160 24.455 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.306 -9.030 27.256 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.123 -8.453 26.099 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.091 -8.435 25.426 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.123 -6.087 26.229 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.755 -7.207 27.562 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.449 -6.261 26.808 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.368 -6.632 23.895 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.699 -6.790 24.491 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.453 -8.128 23.592 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.212 -11.579 25.850 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.377 -12.479 26.694 1.00 0.20 C ATOM 1465 C GLU B 37 -5.252 -11.678 27.351 1.00 0.18 C ATOM 1466 O GLU B 37 -4.746 -10.724 26.791 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.824 -13.537 25.740 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.028 -14.575 26.535 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.421 -15.599 25.574 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.647 -15.469 24.382 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.741 -16.494 26.046 1.00 1.07 O ATOM 0 H GLU B 37 -6.774 -11.251 24.989 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.946 -12.941 27.501 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.640 -14.021 25.204 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.185 -13.069 24.991 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.240 -14.085 27.106 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.678 -15.075 27.253 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.968 -11.966 28.589 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.009 -11.123 29.356 1.00 0.20 C ATOM 1480 C ILE B 38 -2.701 -11.879 29.587 1.00 0.19 C ATOM 1481 O ILE B 38 -2.694 -13.025 30.004 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.707 -10.843 30.686 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.060 -10.178 30.421 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.838 -9.908 31.530 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.821 -10.025 31.739 1.00 0.84 C ATOM 0 H ILE B 38 -5.360 -12.753 29.106 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.753 -10.206 28.826 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.860 -11.780 31.221 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.913 -9.202 29.958 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.641 -10.778 29.721 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.335 -9.707 32.479 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.873 -10.379 31.718 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.686 -8.971 30.995 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.784 -9.551 31.550 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.981 -11.008 32.183 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.241 -9.407 32.424 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.604 -11.236 29.302 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.268 -11.874 29.465 1.00 0.20 C ATOM 1499 C TYR B 39 0.556 -11.105 30.503 1.00 0.20 C ATOM 1500 O TYR B 39 0.392 -9.914 30.673 1.00 0.19 O ATOM 1501 CB TYR B 39 0.385 -11.739 28.092 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.130 -12.797 27.153 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.470 -12.791 26.749 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.745 -13.773 26.674 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.934 -13.770 25.862 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.284 -14.753 25.792 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.055 -14.752 25.384 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.508 -15.721 24.511 1.00 0.45 O ATOM 0 H TYR B 39 -1.576 -10.277 28.956 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.338 -12.908 29.802 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.180 -10.750 27.682 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.467 -11.826 28.188 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.144 -12.033 27.120 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.779 -13.771 26.985 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.967 -13.769 25.547 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.960 -15.511 25.425 1.00 0.36 H new ATOM 0 HH TYR B 39 -1.238 -16.605 24.835 1.00 0.45 H new ATOM 1518 N VAL B 40 1.533 -11.738 31.095 1.00 0.21 N ATOM 1519 CA VAL B 40 2.461 -10.986 31.991 1.00 0.21 C ATOM 1520 C VAL B 40 3.917 -11.313 31.648 1.00 0.21 C ATOM 1521 O VAL B 40 4.321 -12.459 31.645 1.00 0.23 O ATOM 1522 CB VAL B 40 2.123 -11.460 33.403 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.113 -10.848 34.395 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.703 -11.013 33.761 1.00 0.26 C ATOM 0 H VAL B 40 1.729 -12.734 30.999 1.00 0.21 H new ATOM 0 HA VAL B 40 2.348 -9.907 31.886 1.00 0.21 H new ATOM 0 HB VAL B 40 2.187 -12.547 33.449 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.873 -11.185 35.403 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.125 -11.161 34.139 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.047 -9.761 34.351 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.459 -11.350 34.768 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.642 -9.926 33.717 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.004 -11.445 33.053 1.00 0.26 H new ATOM 1534 N ASP B 41 4.715 -10.313 31.384 1.00 0.21 N ATOM 1535 CA ASP B 41 6.151 -10.570 31.069 1.00 0.21 C ATOM 1536 C ASP B 41 7.030 -9.413 31.559 1.00 0.24 C ATOM 1537 O ASP B 41 6.679 -8.258 31.432 1.00 0.26 O ATOM 1538 CB ASP B 41 6.208 -10.680 29.544 1.00 0.19 C ATOM 1539 CG ASP B 41 5.804 -9.345 28.915 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.257 -8.518 29.626 1.00 1.77 O ATOM 1541 OD2 ASP B 41 6.048 -9.171 27.733 1.00 1.68 O ATOM 0 H ASP B 41 4.436 -9.332 31.373 1.00 0.21 H new ATOM 0 HA ASP B 41 6.521 -11.470 31.560 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.215 -10.953 29.227 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.541 -11.471 29.202 1.00 0.19 H new ATOM 1546 N ASP B 42 8.218 -9.710 32.011 1.00 0.27 N ATOM 1547 CA ASP B 42 9.175 -8.624 32.381 1.00 0.32 C ATOM 1548 C ASP B 42 8.472 -7.506 33.162 1.00 0.32 C ATOM 1549 O ASP B 42 8.731 -6.338 32.952 1.00 0.37 O ATOM 1550 CB ASP B 42 9.697 -8.098 31.045 1.00 0.37 C ATOM 1551 CG ASP B 42 10.661 -6.937 31.293 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.985 -6.697 32.444 1.00 1.21 O ATOM 1553 OD2 ASP B 42 11.059 -6.307 30.326 1.00 1.14 O ATOM 0 H ASP B 42 8.569 -10.659 32.141 1.00 0.27 H new ATOM 0 HA ASP B 42 9.973 -8.989 33.027 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.204 -8.895 30.502 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.865 -7.767 30.423 1.00 0.37 H new ATOM 1558 N GLU B 43 7.643 -7.852 34.111 1.00 0.29 N ATOM 1559 CA GLU B 43 6.992 -6.806 34.962 1.00 0.30 C ATOM 1560 C GLU B 43 6.145 -5.864 34.104 1.00 0.29 C ATOM 1561 O GLU B 43 5.625 -4.874 34.582 1.00 0.30 O ATOM 1562 CB GLU B 43 8.150 -6.047 35.613 1.00 0.34 C ATOM 1563 CG GLU B 43 7.602 -5.079 36.663 1.00 1.17 C ATOM 1564 CD GLU B 43 8.749 -4.256 37.248 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.872 -4.446 36.810 1.00 1.92 O ATOM 1566 OE2 GLU B 43 8.486 -3.449 38.124 1.00 1.68 O ATOM 0 H GLU B 43 7.387 -8.813 34.336 1.00 0.29 H new ATOM 0 HA GLU B 43 6.321 -7.241 35.702 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.843 -6.749 36.077 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.711 -5.499 34.856 1.00 0.34 H new ATOM 0 HG2 GLU B 43 6.860 -4.419 36.213 1.00 1.17 H new ATOM 0 HG3 GLU B 43 7.097 -5.633 37.455 1.00 1.17 H new ATOM 1573 N LYS B 44 5.920 -6.213 32.868 1.00 0.29 N ATOM 1574 CA LYS B 44 5.015 -5.396 32.012 1.00 0.30 C ATOM 1575 C LYS B 44 3.734 -6.175 31.718 1.00 0.27 C ATOM 1576 O LYS B 44 3.729 -7.389 31.684 1.00 0.26 O ATOM 1577 CB LYS B 44 5.790 -5.149 30.718 1.00 0.34 C ATOM 1578 CG LYS B 44 6.943 -4.180 30.979 1.00 1.29 C ATOM 1579 CD LYS B 44 7.617 -3.831 29.651 1.00 1.23 C ATOM 1580 CE LYS B 44 8.748 -2.832 29.894 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.000 -3.597 29.634 1.00 2.00 N ATOM 0 H LYS B 44 6.325 -7.031 32.413 1.00 0.29 H new ATOM 0 HA LYS B 44 4.728 -4.462 32.496 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.176 -6.091 30.330 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.125 -4.740 29.958 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.572 -3.276 31.461 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.665 -4.630 31.660 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.010 -4.734 29.184 1.00 1.23 H new ATOM 0 HD3 LYS B 44 6.887 -3.407 28.962 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.665 -1.972 29.229 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.724 -2.449 30.914 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.811 -3.082 30.032 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.933 -4.534 30.079 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.131 -3.709 28.608 1.00 2.00 H new ATOM 1595 N ILE B 45 2.659 -5.489 31.459 1.00 0.28 N ATOM 1596 CA ILE B 45 1.394 -6.197 31.115 1.00 0.26 C ATOM 1597 C ILE B 45 1.265 -6.328 29.596 1.00 0.26 C ATOM 1598 O ILE B 45 1.376 -5.360 28.871 1.00 0.29 O ATOM 1599 CB ILE B 45 0.285 -5.308 31.675 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.523 -5.082 33.168 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.068 -5.989 31.471 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.405 -3.977 33.672 1.00 1.24 C ATOM 0 H ILE B 45 2.599 -4.471 31.470 1.00 0.28 H new ATOM 0 HA ILE B 45 1.354 -7.206 31.526 1.00 0.26 H new ATOM 0 HB ILE B 45 0.289 -4.350 31.156 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.340 -6.004 33.720 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.563 -4.806 33.343 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.859 -5.354 31.871 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.237 -6.152 30.406 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.075 -6.947 31.990 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.235 -3.816 34.737 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.201 -3.054 33.129 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.442 -4.271 33.511 1.00 1.24 H new ATOM 1614 N ILE B 46 1.019 -7.517 29.119 1.00 0.26 N ATOM 1615 CA ILE B 46 0.864 -7.724 27.650 1.00 0.29 C ATOM 1616 C ILE B 46 -0.582 -8.117 27.329 1.00 0.28 C ATOM 1617 O ILE B 46 -1.084 -9.113 27.805 1.00 0.31 O ATOM 1618 CB ILE B 46 1.825 -8.871 27.315 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.256 -8.444 27.643 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.720 -9.226 25.830 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.527 -7.066 27.045 1.00 0.50 C ATOM 0 H ILE B 46 0.918 -8.359 29.686 1.00 0.26 H new ATOM 0 HA ILE B 46 1.085 -6.826 27.072 1.00 0.29 H new ATOM 0 HB ILE B 46 1.560 -9.747 27.907 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.400 -8.418 28.723 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.964 -9.171 27.244 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.406 -10.042 25.601 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.700 -9.535 25.601 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.979 -8.355 25.228 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.547 -6.762 27.279 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.400 -7.107 25.963 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.828 -6.343 27.465 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.261 -7.336 26.536 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.677 -7.675 26.204 1.00 0.29 C ATOM 1635 C LEU B 47 -2.822 -7.918 24.701 1.00 0.31 C ATOM 1636 O LEU B 47 -2.332 -7.156 23.891 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.493 -6.454 26.627 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.256 -6.170 28.112 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.926 -5.435 28.285 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.393 -5.298 28.649 1.00 1.23 C ATOM 0 H LEU B 47 -0.902 -6.484 26.105 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.011 -8.581 26.709 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.207 -5.588 26.030 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.553 -6.631 26.444 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.225 -7.110 28.662 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.757 -5.233 29.343 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.116 -6.054 27.900 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -1.956 -4.494 27.736 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.227 -5.094 29.707 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.422 -4.358 28.098 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.342 -5.820 28.525 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.508 -8.961 24.323 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.703 -9.236 22.871 1.00 0.34 C ATOM 1654 C LYS B 48 -5.120 -9.754 22.615 1.00 0.27 C ATOM 1655 O LYS B 48 -5.785 -10.235 23.510 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.669 -10.310 22.525 1.00 0.47 C ATOM 1657 CG LYS B 48 -3.025 -11.620 23.232 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.988 -12.686 22.873 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.670 -14.054 22.803 1.00 1.54 C ATOM 1660 NZ LYS B 48 -1.648 -14.962 22.209 1.00 1.74 N ATOM 0 H LYS B 48 -3.941 -9.634 24.955 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.578 -8.340 22.263 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.639 -10.465 21.446 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.675 -9.981 22.828 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -3.050 -11.469 24.311 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -4.020 -11.949 22.933 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.523 -12.449 21.916 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.193 -12.701 23.618 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -2.974 -14.395 23.793 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -3.570 -14.016 22.189 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -2.102 -15.587 21.513 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -0.913 -14.397 21.739 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -1.215 -15.536 22.960 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.566 -9.713 21.388 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.915 -10.264 21.074 1.00 0.25 C ATOM 1676 C LYS B 49 -6.987 -11.734 21.483 1.00 0.22 C ATOM 1677 O LYS B 49 -5.996 -12.438 21.478 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.065 -10.122 19.561 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.464 -10.580 19.143 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.642 -10.368 17.638 1.00 0.54 C ATOM 1681 CE LYS B 49 -7.735 -11.336 16.874 1.00 1.08 C ATOM 1682 NZ LYS B 49 -8.644 -12.411 16.389 1.00 1.65 N ATOM 0 H LYS B 49 -5.058 -9.324 20.594 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.708 -9.742 21.609 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.906 -9.085 19.265 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.308 -10.719 19.052 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.603 -11.632 19.392 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.221 -10.020 19.692 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -9.683 -10.531 17.358 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -8.398 -9.339 17.374 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -7.235 -10.837 16.044 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -6.955 -11.740 17.520 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -8.095 -13.115 15.855 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.101 -12.872 17.202 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.372 -11.998 15.772 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.135 -12.185 21.902 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.246 -13.589 22.388 1.00 0.22 C ATOM 1698 C TYR B 50 -8.904 -14.474 21.326 1.00 0.25 C ATOM 1699 O TYR B 50 -10.036 -14.263 20.942 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.128 -13.504 23.632 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.316 -14.885 24.213 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.315 -15.852 24.061 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.493 -15.199 24.903 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.491 -17.132 24.599 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.669 -16.479 25.441 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.669 -17.445 25.289 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.842 -18.708 25.819 1.00 0.65 O ATOM 0 H TYR B 50 -9.000 -11.645 21.929 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.272 -14.028 22.603 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.670 -12.847 24.371 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.095 -13.071 23.376 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.407 -15.610 23.529 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.265 -14.453 25.020 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.719 -17.878 24.482 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.577 -16.721 25.974 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.712 -18.759 26.267 1.00 0.65 H new