USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=12 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= -2.62! USER MOD Set 1.2: B 48 LYS NZ :NH3+ -135:sc= 0.543 (180deg=0.0375) USER MOD Set 2.1: A 39 TYR OH : rot -130:sc= -2.43! USER MOD Set 2.2: A 48 LYS NZ :NH3+ -141:sc= 0.545! (180deg=0.018) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.94 USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= -0.0274 (180deg=-0.404) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0.412 (180deg=0.29) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 92:sc= 0.905 USER MOD Single : B 33 LYS NZ :NH3+ -123:sc= -0.0345 (180deg=-0.426) USER MOD Single : B 44 LYS NZ :NH3+ 167:sc= 0.402 (180deg=0.292) 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 -5.012 -15.504 31.067 1.00 0.37 N ATOM 93 CA ILE A 8 -6.367 -15.191 31.614 1.00 0.37 C ATOM 94 C ILE A 8 -7.086 -14.203 30.695 1.00 0.32 C ATOM 95 O ILE A 8 -6.508 -13.250 30.230 1.00 0.30 O ATOM 96 CB ILE A 8 -6.112 -14.556 32.978 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.237 -15.488 33.821 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.446 -14.328 33.691 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.884 -14.802 35.141 1.00 1.36 C ATOM 0 HA ILE A 8 -6.995 -16.079 31.690 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.602 -13.602 32.844 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.764 -16.422 34.014 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.328 -15.742 33.276 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.265 -13.874 34.665 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.070 -13.664 33.092 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.955 -15.283 33.824 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.261 -15.466 35.741 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.340 -13.880 34.938 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.799 -14.571 35.687 1.00 1.36 H new ATOM 111 N VAL A 9 -8.318 -14.463 30.372 1.00 0.32 N ATOM 112 CA VAL A 9 -9.035 -13.576 29.407 1.00 0.29 C ATOM 113 C VAL A 9 -10.190 -12.842 30.095 1.00 0.32 C ATOM 114 O VAL A 9 -10.878 -13.389 30.935 1.00 0.37 O ATOM 115 CB VAL A 9 -9.561 -14.508 28.315 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.396 -13.704 27.316 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.378 -15.153 27.583 1.00 0.30 C ATOM 0 H VAL A 9 -8.862 -15.248 30.730 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.378 -12.806 29.002 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.180 -15.284 28.767 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.771 -14.368 26.537 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.236 -13.241 27.834 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.776 -12.929 26.864 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.751 -15.818 26.804 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.762 -14.375 27.132 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.779 -15.725 28.292 1.00 0.30 H new ATOM 127 N ARG A 10 -10.432 -11.620 29.705 1.00 0.31 N ATOM 128 CA ARG A 10 -11.570 -10.851 30.286 1.00 0.36 C ATOM 129 C ARG A 10 -12.411 -10.244 29.161 1.00 0.31 C ATOM 130 O ARG A 10 -11.955 -10.101 28.047 1.00 0.27 O ATOM 131 CB ARG A 10 -10.919 -9.753 31.129 1.00 0.40 C ATOM 132 CG ARG A 10 -12.006 -8.941 31.835 1.00 0.73 C ATOM 133 CD ARG A 10 -12.631 -9.782 32.950 1.00 0.86 C ATOM 134 NE ARG A 10 -13.711 -8.927 33.517 1.00 1.13 N ATOM 135 CZ ARG A 10 -14.670 -9.463 34.221 1.00 1.36 C ATOM 136 NH1 ARG A 10 -14.690 -10.752 34.432 1.00 1.61 N ATOM 137 NH2 ARG A 10 -15.614 -8.710 34.717 1.00 1.91 N ATOM 0 H ARG A 10 -9.887 -11.118 29.004 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.235 -11.474 30.883 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.245 -10.195 31.863 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.317 -9.102 30.495 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.580 -8.027 32.250 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.772 -8.640 31.120 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -13.032 -10.718 32.561 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.893 -10.042 33.709 1.00 0.86 H new ATOM 0 HE ARG A 10 -13.701 -7.920 33.355 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -13.954 -11.343 34.046 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -15.441 -11.167 34.983 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.602 -7.703 34.554 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -16.364 -9.128 35.267 1.00 1.91 H new ATOM 151 N LYS A 11 -13.643 -9.913 29.432 1.00 0.32 N ATOM 152 CA LYS A 11 -14.511 -9.347 28.359 1.00 0.29 C ATOM 153 C LYS A 11 -14.302 -7.834 28.251 1.00 0.26 C ATOM 154 O LYS A 11 -14.037 -7.162 29.228 1.00 0.27 O ATOM 155 CB LYS A 11 -15.941 -9.664 28.796 1.00 0.33 C ATOM 156 CG LYS A 11 -16.086 -11.172 29.014 1.00 1.02 C ATOM 157 CD LYS A 11 -15.851 -11.905 27.692 1.00 1.03 C ATOM 158 CE LYS A 11 -16.154 -13.393 27.872 1.00 1.81 C ATOM 159 NZ LYS A 11 -16.323 -13.920 26.489 1.00 2.21 N ATOM 0 H LYS A 11 -14.086 -10.009 30.346 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.283 -9.768 27.379 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.179 -9.128 29.715 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.648 -9.326 28.038 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.370 -11.512 29.763 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -17.081 -11.401 29.397 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -16.488 -11.485 26.913 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -14.819 -11.770 27.368 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -15.342 -13.901 28.392 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -17.056 -13.544 28.465 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -16.534 -14.938 26.529 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -17.107 -13.422 26.021 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -15.446 -13.769 25.950 1.00 2.21 H new ATOM 173 N VAL A 12 -14.435 -7.291 27.070 1.00 0.22 N ATOM 174 CA VAL A 12 -14.260 -5.817 26.901 1.00 0.21 C ATOM 175 C VAL A 12 -15.549 -5.095 27.292 1.00 0.20 C ATOM 176 O VAL A 12 -16.619 -5.430 26.827 1.00 0.20 O ATOM 177 CB VAL A 12 -13.975 -5.612 25.412 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.388 -4.218 25.191 1.00 0.28 C ATOM 179 CG2 VAL A 12 -12.984 -6.670 24.921 1.00 0.28 C ATOM 0 H VAL A 12 -14.657 -7.803 26.216 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.459 -5.423 27.526 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.906 -5.707 24.853 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.185 -4.073 24.130 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.100 -3.466 25.531 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.460 -4.120 25.754 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.786 -6.518 23.860 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.053 -6.583 25.480 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.407 -7.663 25.072 1.00 0.28 H new ATOM 189 N ASP A 13 -15.463 -4.110 28.141 1.00 0.20 N ATOM 190 CA ASP A 13 -16.696 -3.384 28.554 1.00 0.21 C ATOM 191 C ASP A 13 -17.030 -2.289 27.531 1.00 0.22 C ATOM 192 O ASP A 13 -16.461 -2.234 26.459 1.00 0.22 O ATOM 193 CB ASP A 13 -16.381 -2.799 29.937 1.00 0.21 C ATOM 194 CG ASP A 13 -15.777 -1.402 29.805 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.577 -1.305 29.615 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.526 -0.445 29.891 1.00 0.55 O ATOM 0 H ASP A 13 -14.597 -3.777 28.565 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.570 -4.034 28.599 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.292 -2.752 30.534 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.687 -3.453 30.465 1.00 0.21 H new ATOM 201 N GLU A 14 -18.030 -1.499 27.804 1.00 0.23 N ATOM 202 CA GLU A 14 -18.502 -0.512 26.787 1.00 0.26 C ATOM 203 C GLU A 14 -17.359 0.384 26.293 1.00 0.26 C ATOM 204 O GLU A 14 -17.327 0.772 25.141 1.00 0.29 O ATOM 205 CB GLU A 14 -19.559 0.321 27.511 1.00 0.28 C ATOM 206 CG GLU A 14 -20.220 1.281 26.520 1.00 1.22 C ATOM 207 CD GLU A 14 -21.204 2.187 27.263 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.307 2.051 28.471 1.00 1.99 O ATOM 209 OE2 GLU A 14 -21.837 3.001 26.612 1.00 2.19 O ATOM 0 H GLU A 14 -18.542 -1.492 28.686 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.895 -1.010 25.901 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.309 -0.332 27.956 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.100 0.881 28.326 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.461 1.883 26.020 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.741 0.718 25.746 1.00 1.22 H new ATOM 216 N LEU A 15 -16.498 0.826 27.168 1.00 0.23 N ATOM 217 CA LEU A 15 -15.465 1.818 26.747 1.00 0.24 C ATOM 218 C LEU A 15 -14.238 1.130 26.135 1.00 0.22 C ATOM 219 O LEU A 15 -13.320 1.783 25.682 1.00 0.24 O ATOM 220 CB LEU A 15 -15.074 2.562 28.023 1.00 0.28 C ATOM 221 CG LEU A 15 -13.920 3.520 27.715 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.247 4.329 26.458 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.722 4.474 28.894 1.00 1.38 C ATOM 0 H LEU A 15 -16.463 0.547 28.148 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.854 2.487 25.979 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.929 3.116 28.411 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.777 1.852 28.795 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.008 2.946 27.551 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.425 5.011 26.240 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.390 3.651 25.616 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.160 4.902 26.621 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.901 5.157 28.676 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.636 5.046 29.057 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.489 3.900 29.791 1.00 1.38 H new ATOM 235 N GLY A 16 -14.184 -0.174 26.149 1.00 0.21 N ATOM 236 CA GLY A 16 -12.977 -0.856 25.603 1.00 0.19 C ATOM 237 C GLY A 16 -11.856 -0.837 26.647 1.00 0.20 C ATOM 238 O GLY A 16 -10.731 -0.471 26.361 1.00 0.20 O ATOM 0 H GLY A 16 -14.913 -0.790 26.510 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.219 -1.884 25.334 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.647 -0.357 24.692 1.00 0.19 H new ATOM 242 N ARG A 17 -12.166 -1.169 27.870 1.00 0.24 N ATOM 243 CA ARG A 17 -11.132 -1.112 28.939 1.00 0.26 C ATOM 244 C ARG A 17 -10.844 -2.521 29.466 1.00 0.26 C ATOM 245 O ARG A 17 -11.678 -3.402 29.399 1.00 0.26 O ATOM 246 CB ARG A 17 -11.747 -0.238 30.033 1.00 0.28 C ATOM 247 CG ARG A 17 -11.901 1.192 29.511 1.00 0.28 C ATOM 248 CD ARG A 17 -12.472 2.083 30.615 1.00 0.29 C ATOM 249 NE ARG A 17 -13.878 1.630 30.788 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.740 2.395 31.408 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.358 3.538 31.912 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.984 2.019 31.526 1.00 1.15 N ATOM 0 H ARG A 17 -13.090 -1.477 28.174 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.184 -0.709 28.583 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.718 -0.636 30.329 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.114 -0.247 30.920 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.935 1.576 29.183 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.560 1.204 28.643 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.906 1.976 31.541 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.428 3.135 30.335 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.170 0.723 30.424 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.386 3.836 31.823 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.031 4.133 32.395 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.286 1.127 31.135 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.654 2.617 32.010 1.00 1.15 H new ATOM 266 N VAL A 18 -9.669 -2.738 29.987 1.00 0.26 N ATOM 267 CA VAL A 18 -9.325 -4.089 30.515 1.00 0.25 C ATOM 268 C VAL A 18 -8.895 -3.980 31.978 1.00 0.24 C ATOM 269 O VAL A 18 -8.470 -2.936 32.429 1.00 0.24 O ATOM 270 CB VAL A 18 -8.163 -4.571 29.647 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.586 -4.566 28.177 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.966 -3.636 29.835 1.00 0.26 C ATOM 0 H VAL A 18 -8.931 -2.039 30.070 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.169 -4.778 30.479 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.886 -5.583 29.941 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.757 -4.910 27.559 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.439 -5.230 28.042 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.864 -3.554 27.882 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.136 -3.978 29.217 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.245 -2.624 29.540 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.663 -3.639 30.882 1.00 0.26 H new ATOM 282 N VAL A 19 -9.089 -5.017 32.744 1.00 0.22 N ATOM 283 CA VAL A 19 -8.790 -4.927 34.200 1.00 0.21 C ATOM 284 C VAL A 19 -7.608 -5.823 34.566 1.00 0.22 C ATOM 285 O VAL A 19 -7.580 -6.994 34.242 1.00 0.23 O ATOM 286 CB VAL A 19 -10.062 -5.416 34.891 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.953 -5.174 36.398 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.268 -4.655 34.337 1.00 0.24 C ATOM 0 H VAL A 19 -9.441 -5.920 32.426 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.518 -3.915 34.499 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.188 -6.483 34.705 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.861 -5.523 36.889 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.095 -5.718 36.793 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.825 -4.108 36.587 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.176 -5.003 34.830 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.141 -3.588 34.522 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.347 -4.830 33.264 1.00 0.24 H new ATOM 298 N ILE A 20 -6.682 -5.311 35.332 1.00 0.22 N ATOM 299 CA ILE A 20 -5.568 -6.167 35.824 1.00 0.24 C ATOM 300 C ILE A 20 -6.017 -6.914 37.085 1.00 0.24 C ATOM 301 O ILE A 20 -6.543 -6.314 37.996 1.00 0.23 O ATOM 302 CB ILE A 20 -4.435 -5.180 36.133 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.617 -4.937 34.863 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.520 -5.745 37.223 1.00 0.24 C ATOM 305 CD1 ILE A 20 -2.810 -6.191 34.526 1.00 1.38 C ATOM 0 H ILE A 20 -6.650 -4.338 35.637 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.254 -6.924 35.106 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.867 -4.243 36.484 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.279 -4.685 34.035 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -2.948 -4.089 35.006 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.721 -5.034 37.432 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.099 -5.917 38.131 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.088 -6.687 36.884 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.228 -6.017 33.621 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.137 -6.423 35.351 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -3.489 -7.028 34.365 1.00 1.38 H new ATOM 317 N PRO A 21 -5.750 -8.191 37.119 1.00 0.28 N ATOM 318 CA PRO A 21 -6.089 -9.002 38.314 1.00 0.30 C ATOM 319 C PRO A 21 -5.403 -8.420 39.552 1.00 0.28 C ATOM 320 O PRO A 21 -4.294 -7.935 39.484 1.00 0.27 O ATOM 321 CB PRO A 21 -5.547 -10.397 37.991 1.00 0.35 C ATOM 322 CG PRO A 21 -4.678 -10.235 36.780 1.00 0.35 C ATOM 323 CD PRO A 21 -5.120 -8.985 36.067 1.00 0.32 C ATOM 0 HA PRO A 21 -7.157 -9.018 38.529 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.977 -10.797 38.829 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.361 -11.096 37.796 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.629 -10.161 37.068 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.768 -11.102 36.125 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.276 -8.460 35.620 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.819 -9.209 35.261 1.00 0.32 H new ATOM 331 N ILE A 22 -6.069 -8.419 40.673 1.00 0.30 N ATOM 332 CA ILE A 22 -5.464 -7.809 41.894 1.00 0.30 C ATOM 333 C ILE A 22 -4.110 -8.451 42.192 1.00 0.32 C ATOM 334 O ILE A 22 -3.198 -7.802 42.663 1.00 0.32 O ATOM 335 CB ILE A 22 -6.464 -8.091 43.016 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.159 -7.186 44.212 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.356 -9.556 43.448 1.00 0.42 C ATOM 338 CD1 ILE A 22 -4.771 -7.516 44.761 1.00 1.11 C ATOM 0 H ILE A 22 -7.002 -8.812 40.798 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.282 -6.741 41.777 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.473 -7.893 42.656 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.203 -6.140 43.910 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.911 -7.326 44.988 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -7.070 -9.753 44.248 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.575 -10.203 42.598 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.346 -9.756 43.806 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.554 -6.871 45.613 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -4.744 -8.558 45.079 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -4.024 -7.354 43.984 1.00 1.11 H new ATOM 350 N GLU A 23 -3.951 -9.704 41.883 1.00 0.36 N ATOM 351 CA GLU A 23 -2.629 -10.354 42.110 1.00 0.40 C ATOM 352 C GLU A 23 -1.539 -9.589 41.352 1.00 0.37 C ATOM 353 O GLU A 23 -0.440 -9.402 41.835 1.00 0.39 O ATOM 354 CB GLU A 23 -2.781 -11.766 41.543 1.00 0.44 C ATOM 355 CG GLU A 23 -1.521 -12.578 41.849 1.00 1.22 C ATOM 356 CD GLU A 23 -1.630 -13.957 41.194 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.628 -14.200 40.535 1.00 2.01 O ATOM 358 OE2 GLU A 23 -0.713 -14.745 41.363 1.00 2.37 O ATOM 0 H GLU A 23 -4.672 -10.306 41.485 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.345 -10.366 43.162 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.654 -12.252 41.978 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.945 -11.721 40.466 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.640 -12.056 41.477 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.397 -12.684 42.927 1.00 1.22 H new ATOM 365 N LEU A 24 -1.864 -9.093 40.191 1.00 0.34 N ATOM 366 CA LEU A 24 -0.882 -8.287 39.414 1.00 0.33 C ATOM 367 C LEU A 24 -0.841 -6.850 39.933 1.00 0.29 C ATOM 368 O LEU A 24 0.191 -6.214 39.927 1.00 0.29 O ATOM 369 CB LEU A 24 -1.383 -8.326 37.970 1.00 0.33 C ATOM 370 CG LEU A 24 -1.311 -9.759 37.442 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.638 -9.771 35.947 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.100 -10.309 37.658 1.00 1.75 C ATOM 0 H LEU A 24 -2.773 -9.212 39.744 1.00 0.34 H new ATOM 0 HA LEU A 24 0.131 -8.681 39.502 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.409 -7.960 37.920 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.779 -7.667 37.347 1.00 0.33 H new ATOM 0 HG LEU A 24 -2.031 -10.379 37.976 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.586 -10.793 35.571 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.642 -9.377 35.791 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.918 -9.151 35.412 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.154 -11.331 37.282 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.819 -9.688 37.124 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.335 -10.301 38.722 1.00 1.75 H new ATOM 384 N ARG A 25 -1.927 -6.359 40.465 1.00 0.25 N ATOM 385 CA ARG A 25 -1.888 -4.996 41.068 1.00 0.23 C ATOM 386 C ARG A 25 -0.805 -4.960 42.144 1.00 0.25 C ATOM 387 O ARG A 25 -0.058 -4.009 42.257 1.00 0.25 O ATOM 388 CB ARG A 25 -3.261 -4.773 41.712 1.00 0.22 C ATOM 389 CG ARG A 25 -4.376 -4.872 40.668 1.00 0.21 C ATOM 390 CD ARG A 25 -5.707 -4.477 41.323 1.00 0.22 C ATOM 391 NE ARG A 25 -6.763 -5.056 40.451 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.969 -5.241 40.918 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.258 -4.911 42.148 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.890 -5.756 40.149 1.00 0.27 N ATOM 0 H ARG A 25 -2.828 -6.835 40.509 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.669 -4.228 40.326 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.424 -5.513 42.496 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.289 -3.793 42.188 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.162 -4.216 39.824 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.436 -5.887 40.275 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.777 -4.869 42.338 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.805 -3.394 41.392 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.546 -5.309 39.487 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.540 -4.506 42.750 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.201 -5.058 42.507 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.667 -6.012 39.187 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.833 -5.902 40.510 1.00 0.27 H new ATOM 408 N ARG A 26 -0.747 -5.975 42.958 1.00 0.29 N ATOM 409 CA ARG A 26 0.258 -5.985 44.062 1.00 0.33 C ATOM 410 C ARG A 26 1.669 -6.214 43.509 1.00 0.35 C ATOM 411 O ARG A 26 2.605 -5.526 43.864 1.00 0.35 O ATOM 412 CB ARG A 26 -0.155 -7.151 44.960 1.00 0.37 C ATOM 413 CG ARG A 26 -1.537 -6.872 45.553 1.00 1.07 C ATOM 414 CD ARG A 26 -1.454 -5.676 46.503 1.00 1.25 C ATOM 415 NE ARG A 26 -2.812 -5.568 47.104 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.148 -4.501 47.780 1.00 2.32 C ATOM 417 NH1 ARG A 26 -2.296 -3.523 47.929 1.00 2.40 N ATOM 418 NH2 ARG A 26 -4.339 -4.412 48.306 1.00 3.26 N ATOM 0 H ARG A 26 -1.349 -6.797 42.909 1.00 0.29 H new ATOM 0 HA ARG A 26 0.282 -5.037 44.599 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.174 -8.077 44.386 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.575 -7.286 45.758 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -2.252 -6.668 44.756 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -1.899 -7.750 46.088 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.694 -5.832 47.269 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.185 -4.765 45.968 1.00 1.25 H new ATOM 0 HE ARG A 26 -3.482 -6.329 46.988 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.365 -3.590 47.517 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -2.561 -2.692 48.457 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.006 -5.175 48.189 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -4.603 -3.580 48.834 1.00 3.26 H new ATOM 432 N THR A 27 1.831 -7.187 42.656 1.00 0.37 N ATOM 433 CA THR A 27 3.186 -7.484 42.105 1.00 0.41 C ATOM 434 C THR A 27 3.719 -6.303 41.288 1.00 0.39 C ATOM 435 O THR A 27 4.911 -6.085 41.205 1.00 0.42 O ATOM 436 CB THR A 27 2.990 -8.708 41.209 1.00 0.44 C ATOM 437 OG1 THR A 27 2.379 -9.749 41.959 1.00 0.61 O ATOM 438 CG2 THR A 27 4.345 -9.182 40.683 1.00 0.77 C ATOM 0 H THR A 27 1.083 -7.791 42.315 1.00 0.37 H new ATOM 0 HA THR A 27 3.913 -7.663 42.897 1.00 0.41 H new ATOM 0 HB THR A 27 2.351 -8.443 40.367 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.405 -9.683 41.877 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.203 -10.054 40.045 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.811 -8.383 40.107 1.00 0.77 H new ATOM 0 HG23 THR A 27 4.988 -9.447 41.522 1.00 0.77 H new ATOM 446 N LEU A 28 2.855 -5.574 40.639 1.00 0.35 N ATOM 447 CA LEU A 28 3.332 -4.454 39.778 1.00 0.34 C ATOM 448 C LEU A 28 3.456 -3.160 40.588 1.00 0.32 C ATOM 449 O LEU A 28 3.931 -2.156 40.095 1.00 0.33 O ATOM 450 CB LEU A 28 2.265 -4.314 38.688 1.00 0.32 C ATOM 451 CG LEU A 28 2.778 -3.382 37.589 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.881 -4.090 36.795 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.626 -3.020 36.651 1.00 1.05 C ATOM 0 H LEU A 28 1.844 -5.703 40.666 1.00 0.35 H new ATOM 0 HA LEU A 28 4.320 -4.649 39.361 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.028 -5.292 38.269 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.344 -3.918 39.115 1.00 0.32 H new ATOM 0 HG LEU A 28 3.180 -2.474 38.039 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.248 -3.427 36.011 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.701 -4.350 37.464 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.479 -4.998 36.344 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.990 -2.356 35.867 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.225 -3.928 36.200 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.841 -2.518 37.216 1.00 1.05 H new ATOM 465 N GLY A 29 3.060 -3.176 41.831 1.00 0.32 N ATOM 466 CA GLY A 29 3.186 -1.948 42.667 1.00 0.32 C ATOM 467 C GLY A 29 2.263 -0.857 42.124 1.00 0.29 C ATOM 468 O GLY A 29 2.633 0.296 42.037 1.00 0.29 O ATOM 0 H GLY A 29 2.655 -3.984 42.304 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.929 -2.173 43.702 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.219 -1.599 42.664 1.00 0.32 H new ATOM 472 N ILE A 30 1.071 -1.214 41.745 1.00 0.27 N ATOM 473 CA ILE A 30 0.130 -0.197 41.189 1.00 0.24 C ATOM 474 C ILE A 30 -1.099 -0.048 42.087 1.00 0.23 C ATOM 475 O ILE A 30 -1.615 -1.008 42.624 1.00 0.26 O ATOM 476 CB ILE A 30 -0.271 -0.724 39.814 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.980 -0.888 38.949 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.226 0.265 39.145 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.788 0.414 38.973 1.00 0.29 C ATOM 0 H ILE A 30 0.704 -2.164 41.795 1.00 0.27 H new ATOM 0 HA ILE A 30 0.592 0.788 41.127 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.768 -1.688 39.925 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.587 -1.713 39.321 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.698 -1.136 37.926 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.512 -0.112 38.163 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.117 0.384 39.761 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.731 1.230 39.033 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.680 0.300 38.357 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.178 1.228 38.581 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.081 0.641 39.998 1.00 0.29 H new ATOM 491 N ALA A 31 -1.544 1.159 42.275 1.00 0.22 N ATOM 492 CA ALA A 31 -2.712 1.408 43.168 1.00 0.23 C ATOM 493 C ALA A 31 -3.598 2.507 42.577 1.00 0.20 C ATOM 494 O ALA A 31 -3.211 3.208 41.664 1.00 0.18 O ATOM 495 CB ALA A 31 -2.106 1.873 44.490 1.00 0.23 C ATOM 0 H ALA A 31 -1.147 1.994 41.845 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.335 0.522 43.291 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.904 2.078 45.204 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.456 1.093 44.886 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.525 2.781 44.325 1.00 0.23 H new ATOM 501 N GLU A 32 -4.789 2.660 43.083 1.00 0.22 N ATOM 502 CA GLU A 32 -5.701 3.706 42.537 1.00 0.21 C ATOM 503 C GLU A 32 -5.011 5.076 42.541 1.00 0.19 C ATOM 504 O GLU A 32 -4.254 5.397 43.434 1.00 0.20 O ATOM 505 CB GLU A 32 -6.903 3.712 43.483 1.00 0.25 C ATOM 506 CG GLU A 32 -7.975 4.658 42.940 1.00 0.27 C ATOM 507 CD GLU A 32 -9.133 4.743 43.936 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.044 4.106 44.973 1.00 1.13 O ATOM 509 OE2 GLU A 32 -10.089 5.443 43.645 1.00 1.12 O ATOM 0 H GLU A 32 -5.171 2.107 43.850 1.00 0.22 H new ATOM 0 HA GLU A 32 -5.989 3.502 41.506 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.308 2.705 43.580 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.594 4.029 44.479 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.551 5.648 42.774 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.336 4.300 41.976 1.00 0.27 H new ATOM 516 N LYS A 33 -5.316 5.898 41.570 1.00 0.19 N ATOM 517 CA LYS A 33 -4.745 7.283 41.514 1.00 0.20 C ATOM 518 C LYS A 33 -3.274 7.257 41.081 1.00 0.18 C ATOM 519 O LYS A 33 -2.690 8.285 40.804 1.00 0.21 O ATOM 520 CB LYS A 33 -4.875 7.844 42.933 1.00 0.23 C ATOM 521 CG LYS A 33 -4.739 9.368 42.891 1.00 0.29 C ATOM 522 CD LYS A 33 -4.803 9.927 44.313 1.00 0.87 C ATOM 523 CE LYS A 33 -4.821 11.457 44.260 1.00 1.35 C ATOM 524 NZ LYS A 33 -6.210 11.811 43.858 1.00 1.88 N ATOM 0 H LYS A 33 -5.945 5.667 40.801 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.273 7.898 40.785 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.839 7.565 43.359 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.106 7.417 43.577 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.795 9.646 42.422 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.536 9.798 42.284 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.695 9.560 44.820 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -3.944 9.583 44.890 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.568 11.889 45.228 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -4.093 11.836 43.542 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -6.184 12.401 43.002 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.747 10.942 43.663 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -6.671 12.337 44.628 1.00 1.88 H new ATOM 538 N ASP A 34 -2.699 6.096 40.915 1.00 0.16 N ATOM 539 CA ASP A 34 -1.308 6.033 40.379 1.00 0.16 C ATOM 540 C ASP A 34 -1.319 6.273 38.868 1.00 0.19 C ATOM 541 O ASP A 34 -2.362 6.291 38.245 1.00 0.20 O ATOM 542 CB ASP A 34 -0.815 4.626 40.700 1.00 0.17 C ATOM 543 CG ASP A 34 -0.519 4.526 42.196 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.577 5.546 42.863 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.237 3.432 42.647 1.00 1.08 O ATOM 0 H ASP A 34 -3.128 5.195 41.125 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.661 6.793 40.818 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.568 3.890 40.416 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.083 4.402 40.124 1.00 0.17 H new ATOM 550 N ALA A 35 -0.179 6.531 38.287 1.00 0.22 N ATOM 551 CA ALA A 35 -0.146 6.857 36.832 1.00 0.28 C ATOM 552 C ALA A 35 0.380 5.669 36.021 1.00 0.20 C ATOM 553 O ALA A 35 1.445 5.146 36.284 1.00 0.16 O ATOM 554 CB ALA A 35 0.805 8.049 36.717 1.00 0.36 C ATOM 0 H ALA A 35 0.728 6.530 38.754 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.138 7.083 36.442 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.885 8.352 35.673 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.420 8.880 37.307 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.790 7.766 37.089 1.00 0.36 H new ATOM 560 N LEU A 36 -0.313 5.309 34.975 1.00 0.24 N ATOM 561 CA LEU A 36 0.189 4.236 34.067 1.00 0.21 C ATOM 562 C LEU A 36 0.631 4.859 32.743 1.00 0.20 C ATOM 563 O LEU A 36 -0.052 5.702 32.199 1.00 0.23 O ATOM 564 CB LEU A 36 -1.012 3.322 33.828 1.00 0.34 C ATOM 565 CG LEU A 36 -1.675 2.968 35.158 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.088 2.451 34.887 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.861 1.879 35.861 1.00 0.56 C ATOM 0 H LEU A 36 -1.210 5.714 34.708 1.00 0.24 H new ATOM 0 HA LEU A 36 1.038 3.698 34.489 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.731 3.816 33.175 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.691 2.413 33.319 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.720 3.852 35.794 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.569 2.196 35.831 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.667 3.224 34.382 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.036 1.565 34.255 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.334 1.627 36.810 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.818 0.992 35.229 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.150 2.242 36.045 1.00 0.56 H new ATOM 579 N GLU A 37 1.668 4.350 32.139 1.00 0.19 N ATOM 580 CA GLU A 37 2.012 4.825 30.771 1.00 0.21 C ATOM 581 C GLU A 37 1.651 3.745 29.750 1.00 0.19 C ATOM 582 O GLU A 37 1.738 2.565 30.024 1.00 0.20 O ATOM 583 CB GLU A 37 3.519 5.083 30.791 1.00 0.25 C ATOM 584 CG GLU A 37 3.952 5.680 29.450 1.00 0.26 C ATOM 585 CD GLU A 37 5.471 5.865 29.441 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.093 5.543 30.440 1.00 1.17 O ATOM 587 OE2 GLU A 37 5.985 6.327 28.436 1.00 1.08 O ATOM 0 H GLU A 37 2.284 3.636 32.527 1.00 0.19 H new ATOM 0 HA GLU A 37 1.466 5.727 30.492 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.771 5.765 31.603 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.056 4.153 30.977 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.650 5.024 28.633 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.457 6.638 29.289 1.00 0.26 H new ATOM 594 N ILE A 38 1.104 4.145 28.639 1.00 0.21 N ATOM 595 CA ILE A 38 0.562 3.153 27.671 1.00 0.20 C ATOM 596 C ILE A 38 1.451 3.075 26.430 1.00 0.20 C ATOM 597 O ILE A 38 1.822 4.080 25.850 1.00 0.24 O ATOM 598 CB ILE A 38 -0.825 3.676 27.302 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.663 3.836 28.574 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.513 2.685 26.361 1.00 0.73 C ATOM 601 CD1 ILE A 38 -3.006 4.478 28.223 1.00 0.84 C ATOM 0 H ILE A 38 1.008 5.121 28.358 1.00 0.21 H new ATOM 0 HA ILE A 38 0.522 2.149 28.093 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.728 4.641 26.804 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.823 2.864 29.041 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.131 4.453 29.298 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.502 3.059 26.099 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.917 2.569 25.456 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.610 1.719 26.857 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.602 4.592 29.128 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.835 5.457 27.775 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.539 3.843 27.515 1.00 0.84 H new ATOM 613 N TYR A 39 1.795 1.881 26.042 1.00 0.19 N ATOM 614 CA TYR A 39 2.673 1.675 24.857 1.00 0.21 C ATOM 615 C TYR A 39 1.919 0.889 23.779 1.00 0.20 C ATOM 616 O TYR A 39 1.057 0.090 24.080 1.00 0.20 O ATOM 617 CB TYR A 39 3.831 0.834 25.389 1.00 0.24 C ATOM 618 CG TYR A 39 4.819 1.696 26.122 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.458 2.331 27.316 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.108 1.839 25.612 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.394 3.118 27.999 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.045 2.623 26.290 1.00 0.36 C ATOM 623 CZ TYR A 39 6.689 3.265 27.484 1.00 0.39 C ATOM 624 OH TYR A 39 7.614 4.042 28.152 1.00 0.45 O ATOM 0 H TYR A 39 1.499 1.022 26.505 1.00 0.19 H new ATOM 0 HA TYR A 39 3.001 2.614 24.410 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.449 0.061 26.056 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.327 0.325 24.563 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.459 2.214 27.710 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.383 1.344 24.692 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.118 3.610 28.920 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.044 2.734 25.894 1.00 0.36 H new ATOM 0 HH TYR A 39 8.027 4.671 27.524 1.00 0.45 H new ATOM 634 N VAL A 40 2.331 0.997 22.547 1.00 0.21 N ATOM 635 CA VAL A 40 1.729 0.125 21.495 1.00 0.22 C ATOM 636 C VAL A 40 2.823 -0.526 20.643 1.00 0.22 C ATOM 637 O VAL A 40 3.597 0.148 19.992 1.00 0.23 O ATOM 638 CB VAL A 40 0.872 1.059 20.643 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.324 0.291 19.439 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.293 1.582 21.486 1.00 0.27 C ATOM 0 H VAL A 40 3.051 1.643 22.223 1.00 0.21 H new ATOM 0 HA VAL A 40 1.143 -0.687 21.926 1.00 0.22 H new ATOM 0 HB VAL A 40 1.477 1.896 20.294 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.288 0.957 18.830 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.153 -0.088 18.841 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.284 -0.544 19.786 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.908 2.249 20.882 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.898 0.743 21.831 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.096 2.126 22.346 1.00 0.27 H new ATOM 650 N ASP A 41 2.876 -1.830 20.621 1.00 0.21 N ATOM 651 CA ASP A 41 3.898 -2.521 19.782 1.00 0.22 C ATOM 652 C ASP A 41 3.360 -3.861 19.273 1.00 0.25 C ATOM 653 O ASP A 41 2.497 -4.456 19.878 1.00 0.27 O ATOM 654 CB ASP A 41 5.095 -2.738 20.708 1.00 0.20 C ATOM 655 CG ASP A 41 4.726 -3.737 21.805 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.559 -4.074 21.906 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.619 -4.151 22.524 1.00 1.69 O ATOM 0 H ASP A 41 2.257 -2.447 21.147 1.00 0.21 H new ATOM 0 HA ASP A 41 4.165 -1.937 18.901 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.946 -3.109 20.137 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.399 -1.791 21.153 1.00 0.20 H new ATOM 662 N ASP A 42 3.968 -4.409 18.257 1.00 0.27 N ATOM 663 CA ASP A 42 3.612 -5.793 17.821 1.00 0.33 C ATOM 664 C ASP A 42 2.092 -6.014 17.839 1.00 0.33 C ATOM 665 O ASP A 42 1.622 -7.087 18.163 1.00 0.37 O ATOM 666 CB ASP A 42 4.300 -6.705 18.832 1.00 0.38 C ATOM 667 CG ASP A 42 3.989 -8.166 18.500 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.415 -8.404 17.450 1.00 1.14 O ATOM 669 OD2 ASP A 42 4.331 -9.021 19.300 1.00 1.22 O ATOM 0 H ASP A 42 4.699 -3.958 17.707 1.00 0.27 H new ATOM 0 HA ASP A 42 3.930 -5.989 16.797 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.377 -6.539 18.813 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.959 -6.470 19.840 1.00 0.38 H new ATOM 674 N GLU A 43 1.327 -5.048 17.415 1.00 0.30 N ATOM 675 CA GLU A 43 -0.150 -5.254 17.318 1.00 0.31 C ATOM 676 C GLU A 43 -0.724 -5.676 18.673 1.00 0.30 C ATOM 677 O GLU A 43 -1.866 -6.079 18.775 1.00 0.31 O ATOM 678 CB GLU A 43 -0.327 -6.372 16.290 1.00 0.35 C ATOM 679 CG GLU A 43 0.225 -5.914 14.938 1.00 1.17 C ATOM 680 CD GLU A 43 -0.017 -7.005 13.892 1.00 1.34 C ATOM 681 OE1 GLU A 43 -0.422 -8.089 14.278 1.00 1.68 O ATOM 682 OE2 GLU A 43 0.207 -6.736 12.724 1.00 1.93 O ATOM 0 H GLU A 43 1.657 -4.125 17.131 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.672 -4.343 17.027 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.193 -7.271 16.621 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.382 -6.630 16.196 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -0.259 -4.987 14.631 1.00 1.17 H new ATOM 0 HG3 GLU A 43 1.292 -5.705 15.021 1.00 1.17 H new ATOM 689 N LYS A 44 0.019 -5.483 19.723 1.00 0.29 N ATOM 690 CA LYS A 44 -0.524 -5.757 21.084 1.00 0.30 C ATOM 691 C LYS A 44 -0.290 -4.545 21.987 1.00 0.27 C ATOM 692 O LYS A 44 0.426 -3.628 21.636 1.00 0.26 O ATOM 693 CB LYS A 44 0.249 -6.976 21.599 1.00 0.34 C ATOM 694 CG LYS A 44 1.706 -6.593 21.861 1.00 1.29 C ATOM 695 CD LYS A 44 2.490 -7.834 22.293 1.00 1.23 C ATOM 696 CE LYS A 44 3.850 -7.410 22.853 1.00 1.90 C ATOM 697 NZ LYS A 44 4.827 -8.358 22.246 1.00 2.01 N ATOM 0 H LYS A 44 0.982 -5.147 19.700 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.597 -5.947 21.070 1.00 0.30 H new ATOM 0 HB2 LYS A 44 -0.209 -7.348 22.515 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.201 -7.783 20.868 1.00 0.34 H new ATOM 0 HG2 LYS A 44 2.148 -6.165 20.961 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.758 -5.829 22.636 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.930 -8.386 23.048 1.00 1.23 H new ATOM 0 HD3 LYS A 44 2.627 -8.504 21.444 1.00 1.23 H new ATOM 0 HE2 LYS A 44 4.083 -6.379 22.587 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.865 -7.470 23.941 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 5.795 -8.033 22.443 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 4.690 -9.305 22.653 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 4.678 -8.399 21.217 1.00 2.01 H new ATOM 711 N ILE A 45 -0.948 -4.495 23.110 1.00 0.28 N ATOM 712 CA ILE A 45 -0.829 -3.297 23.987 1.00 0.27 C ATOM 713 C ILE A 45 0.211 -3.540 25.084 1.00 0.27 C ATOM 714 O ILE A 45 0.197 -4.557 25.751 1.00 0.29 O ATOM 715 CB ILE A 45 -2.218 -3.121 24.597 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.252 -2.999 23.475 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.244 -1.855 25.453 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.657 -3.099 24.065 1.00 1.25 C ATOM 0 H ILE A 45 -1.563 -5.230 23.459 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.506 -2.413 23.437 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.454 -3.984 25.220 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.131 -2.048 22.956 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -3.099 -3.787 22.737 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.236 -1.730 25.888 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.506 -1.940 26.251 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.009 -0.991 24.832 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.394 -3.012 23.267 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.774 -4.061 24.564 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.807 -2.295 24.786 1.00 1.25 H new ATOM 730 N ILE A 46 1.077 -2.590 25.300 1.00 0.26 N ATOM 731 CA ILE A 46 2.092 -2.719 26.385 1.00 0.29 C ATOM 732 C ILE A 46 1.823 -1.681 27.477 1.00 0.29 C ATOM 733 O ILE A 46 1.837 -0.496 27.232 1.00 0.31 O ATOM 734 CB ILE A 46 3.436 -2.445 25.696 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.670 -3.490 24.604 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.573 -2.502 26.721 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.407 -4.884 25.168 1.00 0.50 C ATOM 0 H ILE A 46 1.126 -1.722 24.767 1.00 0.26 H new ATOM 0 HA ILE A 46 2.072 -3.697 26.865 1.00 0.29 H new ATOM 0 HB ILE A 46 3.414 -1.451 25.249 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.012 -3.299 23.756 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.693 -3.423 24.235 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.522 -2.306 26.223 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.406 -1.750 27.492 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.601 -3.491 27.179 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.574 -5.629 24.390 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.083 -5.073 26.002 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.376 -4.947 25.516 1.00 0.50 H new ATOM 749 N LEU A 47 1.582 -2.112 28.683 1.00 0.28 N ATOM 750 CA LEU A 47 1.325 -1.131 29.780 1.00 0.29 C ATOM 751 C LEU A 47 2.390 -1.268 30.869 1.00 0.31 C ATOM 752 O LEU A 47 2.716 -2.356 31.294 1.00 0.39 O ATOM 753 CB LEU A 47 -0.049 -1.496 30.334 1.00 0.34 C ATOM 754 CG LEU A 47 -1.080 -1.480 29.203 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.985 -2.781 28.403 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.484 -1.349 29.797 1.00 1.24 C ATOM 0 H LEU A 47 1.551 -3.094 28.958 1.00 0.28 H new ATOM 0 HA LEU A 47 1.359 -0.101 29.424 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.016 -2.483 30.795 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.338 -0.790 31.113 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.882 -0.635 28.544 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.720 -2.768 27.598 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.015 -2.876 27.980 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.182 -3.628 29.061 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.220 -1.337 28.993 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.680 -2.194 30.456 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.553 -0.422 30.366 1.00 1.24 H new ATOM 768 N LYS A 48 2.924 -0.173 31.329 1.00 0.29 N ATOM 769 CA LYS A 48 3.961 -0.248 32.399 1.00 0.35 C ATOM 770 C LYS A 48 3.765 0.878 33.414 1.00 0.28 C ATOM 771 O LYS A 48 3.129 1.873 33.133 1.00 0.25 O ATOM 772 CB LYS A 48 5.301 -0.088 31.676 1.00 0.47 C ATOM 773 CG LYS A 48 5.410 1.321 31.083 1.00 0.65 C ATOM 774 CD LYS A 48 6.752 1.461 30.364 1.00 0.85 C ATOM 775 CE LYS A 48 7.271 2.891 30.526 1.00 1.54 C ATOM 776 NZ LYS A 48 8.662 2.857 29.993 1.00 1.74 N ATOM 0 H LYS A 48 2.690 0.768 31.013 1.00 0.29 H new ATOM 0 HA LYS A 48 3.906 -1.186 32.952 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.122 -0.264 32.371 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.388 -0.833 30.885 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.590 1.500 30.387 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.327 2.068 31.872 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.472 0.753 30.774 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.637 1.222 29.307 1.00 0.85 H new ATOM 0 HE2 LYS A 48 6.654 3.600 29.974 1.00 1.54 H new ATOM 0 HE3 LYS A 48 7.256 3.201 31.571 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 9.276 3.450 30.587 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 9.013 1.878 30.001 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.669 3.219 29.018 1.00 1.74 H new ATOM 790 N LYS A 49 4.349 0.757 34.574 1.00 0.28 N ATOM 791 CA LYS A 49 4.240 1.854 35.576 1.00 0.25 C ATOM 792 C LYS A 49 4.775 3.156 34.982 1.00 0.22 C ATOM 793 O LYS A 49 5.631 3.151 34.121 1.00 0.24 O ATOM 794 CB LYS A 49 5.102 1.411 36.756 1.00 0.29 C ATOM 795 CG LYS A 49 4.982 2.429 37.890 1.00 0.30 C ATOM 796 CD LYS A 49 5.895 2.016 39.048 1.00 0.54 C ATOM 797 CE LYS A 49 5.656 2.943 40.241 1.00 1.08 C ATOM 798 NZ LYS A 49 6.993 3.522 40.552 1.00 1.65 N ATOM 0 H LYS A 49 4.895 -0.052 34.871 1.00 0.28 H new ATOM 0 HA LYS A 49 3.208 2.036 35.877 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.785 0.427 37.102 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.143 1.319 36.445 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.257 3.421 37.532 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.949 2.488 38.231 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.696 0.982 39.331 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.939 2.066 38.738 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.935 3.723 39.997 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.255 2.394 41.093 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.911 4.170 41.361 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.657 2.757 40.787 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.346 4.044 39.725 1.00 1.65 H new ATOM 812 N TYR A 50 4.223 4.264 35.380 1.00 0.20 N ATOM 813 CA TYR A 50 4.643 5.559 34.773 1.00 0.21 C ATOM 814 C TYR A 50 5.577 6.315 35.719 1.00 0.22 C ATOM 815 O TYR A 50 5.190 6.718 36.798 1.00 0.22 O ATOM 816 CB TYR A 50 3.342 6.335 34.567 1.00 0.20 C ATOM 817 CG TYR A 50 3.638 7.670 33.924 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.786 7.836 33.140 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.763 8.745 34.117 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.056 9.075 32.550 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.033 9.984 33.528 1.00 0.28 C ATOM 822 CZ TYR A 50 4.181 10.150 32.742 1.00 0.30 C ATOM 823 OH TYR A 50 4.448 11.372 32.160 1.00 0.35 O ATOM 0 H TYR A 50 3.501 4.332 36.097 1.00 0.20 H new ATOM 0 HA TYR A 50 5.189 5.420 33.840 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.661 5.761 33.938 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.842 6.485 35.524 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.463 7.008 32.991 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.878 8.617 34.722 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.942 9.202 31.945 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.357 10.813 33.679 1.00 0.28 H new ATOM 0 HH TYR A 50 3.739 12.007 32.394 1.00 0.35 H new ATOM 995 N VAL B 9 -0.340 8.424 28.663 1.00 0.32 N ATOM 996 CA VAL B 9 -0.532 7.903 30.048 1.00 0.29 C ATOM 997 C VAL B 9 -1.964 8.152 30.531 1.00 0.32 C ATOM 998 O VAL B 9 -2.559 9.174 30.254 1.00 0.37 O ATOM 999 CB VAL B 9 0.468 8.674 30.909 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.290 8.277 32.377 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.893 8.331 30.466 1.00 0.30 C ATOM 0 HA VAL B 9 -0.371 6.826 30.100 1.00 0.29 H new ATOM 0 HB VAL B 9 0.295 9.744 30.794 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.003 8.827 32.992 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.724 8.515 32.698 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.464 7.207 32.488 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.607 8.880 31.080 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.063 7.261 30.583 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.025 8.607 29.420 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.500 7.235 31.289 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.872 7.418 31.844 1.00 0.36 C ATOM 1013 C ARG B 10 -3.861 7.149 33.351 1.00 0.31 C ATOM 1014 O ARG B 10 -2.968 6.509 33.866 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.737 6.387 31.119 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.194 6.537 31.563 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.778 7.822 30.974 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.160 7.902 31.523 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.801 9.040 31.525 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.234 10.115 31.045 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.013 9.104 32.006 1.00 1.92 N ATOM 0 H ARG B 10 -2.044 6.361 31.550 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.248 8.431 31.700 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.659 6.525 30.041 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.381 5.380 31.338 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.776 5.676 31.234 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.253 6.564 32.651 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.188 8.692 31.261 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.787 7.789 29.885 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.607 7.066 31.899 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.288 10.067 30.667 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.738 11.002 31.048 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.458 8.266 32.380 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.515 9.992 32.008 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.825 7.657 34.068 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.837 7.450 35.545 1.00 0.30 C ATOM 1037 C LYS B 11 -5.508 6.116 35.890 1.00 0.26 C ATOM 1038 O LYS B 11 -6.412 5.672 35.210 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.649 8.620 36.102 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.025 9.939 35.644 1.00 1.03 C ATOM 1041 CD LYS B 11 -3.612 10.062 36.215 1.00 1.03 C ATOM 1042 CE LYS B 11 -3.049 11.449 35.892 1.00 1.81 C ATOM 1043 NZ LYS B 11 -1.905 11.626 36.829 1.00 2.21 N ATOM 0 H LYS B 11 -5.602 8.204 33.698 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.832 7.415 35.965 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.682 8.556 35.759 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.672 8.575 37.191 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.993 9.979 34.555 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -5.637 10.778 35.976 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -3.630 9.907 37.294 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -2.969 9.290 35.793 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -2.723 11.511 34.854 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -3.801 12.224 36.036 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -1.466 12.555 36.669 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -2.247 11.569 37.809 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -1.202 10.878 36.664 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.079 5.480 36.947 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.702 4.183 37.342 1.00 0.22 C ATOM 1059 C VAL B 12 -6.993 4.444 38.118 1.00 0.20 C ATOM 1060 O VAL B 12 -7.010 5.205 39.063 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.676 3.503 38.249 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.018 2.018 38.387 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.274 3.650 37.655 1.00 0.29 C ATOM 0 H VAL B 12 -4.325 5.802 37.554 1.00 0.23 H new ATOM 0 HA VAL B 12 -5.954 3.568 36.478 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.700 3.976 39.231 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.286 1.535 39.034 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.012 1.912 38.822 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.000 1.548 37.404 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.549 3.163 38.308 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.246 3.185 36.670 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.027 4.708 37.564 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.073 3.825 37.731 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.351 4.057 38.459 1.00 0.21 C ATOM 1075 C ASP B 13 -9.437 3.138 39.684 1.00 0.22 C ATOM 1076 O ASP B 13 -8.467 2.520 40.074 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.459 3.753 37.438 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.857 2.277 37.503 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.201 1.471 36.866 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.811 1.973 38.196 1.00 0.55 O ATOM 0 H ASP B 13 -8.126 3.173 36.948 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.438 5.075 38.838 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.328 4.379 37.638 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.114 3.999 36.434 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.546 3.153 40.369 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.639 2.407 41.658 1.00 0.26 C ATOM 1087 C GLU B 14 -10.252 0.931 41.486 1.00 0.26 C ATOM 1088 O GLU B 14 -9.676 0.333 42.372 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.105 2.527 42.076 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.292 1.912 43.464 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.774 1.941 43.840 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.563 2.396 43.028 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.096 1.505 44.934 1.00 2.19 O ATOM 0 H GLU B 14 -11.393 3.649 40.093 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.955 2.813 42.403 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.406 3.574 42.087 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.743 2.019 41.353 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.924 0.886 43.471 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.708 2.465 44.200 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.671 0.304 40.421 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.440 -1.167 40.295 1.00 0.25 C ATOM 1102 C LEU B 15 -9.049 -1.473 39.725 1.00 0.23 C ATOM 1103 O LEU B 15 -8.662 -2.618 39.607 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.525 -1.667 39.344 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.292 -3.150 39.050 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.050 -3.902 40.362 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.524 -3.730 38.350 1.00 1.39 C ATOM 0 H LEU B 15 -11.159 0.740 39.638 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.484 -1.656 41.268 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.510 -1.522 39.788 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.506 -1.093 38.418 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.420 -3.259 38.405 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.884 -4.958 40.151 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.173 -3.490 40.861 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.920 -3.794 41.009 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.359 -4.787 38.140 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.395 -3.620 38.996 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.696 -3.197 37.415 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.308 -0.476 39.329 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.971 -0.752 38.725 1.00 0.20 C ATOM 1121 C GLY B 16 -7.146 -1.163 37.260 1.00 0.21 C ATOM 1122 O GLY B 16 -6.611 -2.161 36.812 1.00 0.21 O ATOM 0 H GLY B 16 -8.565 0.509 39.395 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.340 0.134 38.792 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.467 -1.545 39.278 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.931 -0.431 36.521 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.183 -0.808 35.103 1.00 0.27 C ATOM 1128 C ARG B 17 -7.613 0.262 34.168 1.00 0.26 C ATOM 1129 O ARG B 17 -7.481 1.413 34.532 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.705 -0.881 34.981 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.227 -2.041 35.833 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.744 -2.152 35.676 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.290 -0.952 36.368 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.552 -0.914 36.711 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.344 -1.908 36.412 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.024 0.120 37.354 1.00 1.14 N ATOM 0 H ARG B 17 -8.409 0.412 36.838 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.709 -1.751 34.830 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.153 0.057 35.310 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.991 -1.023 33.939 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.751 -2.973 35.528 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.971 -1.880 36.880 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.032 -2.167 34.625 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.121 -3.072 36.123 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.681 -0.160 36.574 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.979 -2.717 35.910 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.327 -1.875 36.681 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.409 0.899 37.589 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.008 0.149 37.621 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.273 -0.112 32.966 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.709 0.880 32.007 1.00 0.26 C ATOM 1152 C VAL B 18 -7.548 0.900 30.729 1.00 0.24 C ATOM 1153 O VAL B 18 -8.229 -0.053 30.411 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.293 0.387 31.713 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.510 0.272 33.022 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.362 -0.985 31.038 1.00 0.26 C ATOM 0 H VAL B 18 -7.361 -1.062 32.606 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.709 1.894 32.407 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.792 1.094 31.052 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.500 -0.080 32.812 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.461 1.248 33.504 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.010 -0.435 33.684 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.352 -1.338 30.828 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.863 -1.691 31.700 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.920 -0.904 30.105 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.580 2.010 30.045 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.469 2.118 28.853 1.00 0.22 C ATOM 1168 C VAL B 19 -7.640 2.236 27.572 1.00 0.22 C ATOM 1169 O VAL B 19 -6.757 3.062 27.467 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.276 3.394 29.083 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.374 3.503 28.023 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.909 3.351 30.475 1.00 0.24 C ATOM 0 H VAL B 19 -7.032 2.844 30.258 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.105 1.241 28.735 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.617 4.259 29.010 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.950 4.414 28.188 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.921 3.534 27.032 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.035 2.639 28.093 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.485 4.261 30.641 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.568 2.486 30.549 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.125 3.275 31.229 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.993 1.491 26.561 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.307 1.647 25.248 1.00 0.24 C ATOM 1184 C ILE B 20 -7.960 2.791 24.465 1.00 0.24 C ATOM 1185 O ILE B 20 -9.163 2.838 24.339 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.517 0.299 24.544 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.401 -0.665 24.955 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.490 0.480 23.024 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -5.083 -0.219 24.320 1.00 1.38 C ATOM 0 H ILE B 20 -8.726 0.782 26.587 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.249 1.891 25.339 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.487 -0.104 24.836 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.305 -0.686 26.041 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.646 -1.678 24.637 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.640 -0.485 22.540 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.284 1.164 22.725 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.526 0.890 22.724 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.288 -0.905 24.612 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -5.183 -0.221 23.235 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -4.837 0.787 24.660 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.140 3.650 23.924 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.657 4.768 23.096 1.00 0.30 C ATOM 1203 C PRO B 21 -8.483 4.217 21.931 1.00 0.28 C ATOM 1204 O PRO B 21 -8.171 3.184 21.373 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.399 5.478 22.588 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.252 4.563 22.901 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.682 3.662 24.027 1.00 0.32 C ATOM 0 HA PRO B 21 -8.310 5.441 23.651 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.465 5.669 21.517 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.272 6.444 23.077 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.980 3.976 22.024 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.371 5.138 23.186 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.265 2.661 23.920 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.352 4.043 24.993 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.562 4.866 21.589 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.433 4.334 20.501 1.00 0.30 C ATOM 1217 C ILE B 22 -9.622 4.139 19.219 1.00 0.33 C ATOM 1218 O ILE B 22 -9.859 3.220 18.460 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.516 5.396 20.303 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.679 4.797 19.509 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.937 6.589 19.537 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.193 4.397 18.114 1.00 1.11 C ATOM 0 H ILE B 22 -9.878 5.738 22.013 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.860 3.363 20.752 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.873 5.732 21.277 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.079 3.927 20.030 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -13.490 5.521 19.429 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.712 7.343 19.398 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -10.110 7.018 20.103 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.576 6.256 18.564 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.021 3.970 17.549 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -11.814 5.277 17.594 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.397 3.658 18.204 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.635 4.958 18.994 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.783 4.769 17.786 1.00 0.40 C ATOM 1236 C GLU B 23 -7.175 3.364 17.799 1.00 0.37 C ATOM 1237 O GLU B 23 -7.072 2.708 16.781 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.689 5.829 17.904 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.832 5.822 16.637 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.674 6.810 16.798 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.578 7.412 17.854 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -3.904 6.947 15.861 1.00 2.37 O ATOM 0 H GLU B 23 -8.381 5.746 19.590 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.344 4.870 16.857 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -7.135 6.813 18.048 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -6.068 5.630 18.777 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.446 4.820 16.452 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.439 6.094 15.773 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.818 2.884 18.959 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.272 1.503 19.066 1.00 0.33 C ATOM 1251 C LEU B 24 -7.407 0.476 19.055 1.00 0.29 C ATOM 1252 O LEU B 24 -7.255 -0.616 18.547 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.523 1.471 20.396 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.332 2.430 20.333 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.477 2.266 21.591 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.487 2.109 19.099 1.00 1.75 C ATOM 0 H LEU B 24 -6.882 3.392 19.841 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.619 1.254 18.229 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.191 1.756 21.209 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.178 0.459 20.607 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.694 3.456 20.271 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.629 2.949 21.546 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.078 2.492 22.472 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.114 1.240 21.653 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.638 2.791 19.052 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.125 1.083 19.163 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.095 2.224 18.202 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.566 0.837 19.539 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.712 -0.112 19.458 1.00 0.23 C ATOM 1270 C ARG B 25 -9.935 -0.502 17.998 1.00 0.26 C ATOM 1271 O ARG B 25 -10.177 -1.648 17.677 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.934 0.655 19.975 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.718 1.111 21.420 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.025 1.717 21.948 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.628 2.563 23.107 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.421 3.510 23.530 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.573 3.710 22.951 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.062 4.255 24.540 1.00 0.27 N ATOM 0 H ARG B 25 -8.766 1.734 19.980 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.533 -1.018 20.037 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.121 1.521 19.340 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.818 0.020 19.917 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.415 0.268 22.041 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.915 1.846 21.468 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.521 2.310 21.180 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.725 0.938 22.251 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.734 2.402 23.572 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.857 3.125 22.165 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.190 4.451 23.285 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.164 4.097 24.997 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.680 4.996 24.872 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.888 0.456 17.113 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.138 0.157 15.674 1.00 0.33 C ATOM 1294 C ARG B 26 -8.954 -0.601 15.068 1.00 0.35 C ATOM 1295 O ARG B 26 -9.123 -1.586 14.377 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.294 1.526 15.010 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.517 2.238 15.589 1.00 1.07 C ATOM 1298 CD ARG B 26 -12.785 1.478 15.190 1.00 1.25 C ATOM 1299 NE ARG B 26 -13.908 2.313 15.700 1.00 1.86 N ATOM 1300 CZ ARG B 26 -15.121 1.828 15.736 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -15.355 0.610 15.328 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -16.102 2.564 16.183 1.00 3.27 N ATOM 0 H ARG B 26 -9.687 1.433 17.324 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.017 -0.472 15.532 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.399 2.126 15.175 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.405 1.409 13.932 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -11.439 2.293 16.675 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.563 3.263 15.221 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.846 1.351 14.109 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.803 0.481 15.630 1.00 1.25 H new ATOM 0 HE ARG B 26 -13.730 3.265 16.022 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -14.590 0.033 14.979 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -16.303 0.235 15.358 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -15.921 3.515 16.503 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -17.050 2.188 16.212 1.00 3.27 H new ATOM 1316 N THR B 27 -7.757 -0.131 15.294 1.00 0.37 N ATOM 1317 CA THR B 27 -6.563 -0.801 14.700 1.00 0.41 C ATOM 1318 C THR B 27 -6.418 -2.230 15.232 1.00 0.39 C ATOM 1319 O THR B 27 -5.905 -3.101 14.557 1.00 0.42 O ATOM 1320 CB THR B 27 -5.373 0.056 15.129 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.594 1.402 14.731 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.097 -0.470 14.471 1.00 0.77 C ATOM 0 H THR B 27 -7.554 0.689 15.865 1.00 0.37 H new ATOM 0 HA THR B 27 -6.641 -0.882 13.616 1.00 0.41 H new ATOM 0 HB THR B 27 -5.264 0.010 16.213 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.034 1.890 15.458 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.250 0.143 14.779 1.00 0.77 H new ATOM 0 HG22 THR B 27 -3.928 -1.502 14.778 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.202 -0.426 13.387 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.801 -2.466 16.456 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.613 -3.823 17.044 1.00 0.35 C ATOM 1332 C LEU B 28 -7.820 -4.719 16.739 1.00 0.33 C ATOM 1333 O LEU B 28 -7.818 -5.897 17.036 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.478 -3.588 18.547 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.006 -4.876 19.224 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.544 -5.139 18.859 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.134 -4.730 20.742 1.00 1.05 C ATOM 0 H LEU B 28 -7.235 -1.780 17.074 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.741 -4.330 16.631 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.768 -2.783 18.738 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.435 -3.275 18.964 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.620 -5.710 18.885 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.208 -6.057 19.342 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.452 -5.243 17.778 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.929 -4.305 19.197 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.798 -5.647 21.225 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.520 -3.896 21.080 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.176 -4.543 21.003 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.842 -4.179 16.131 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.028 -5.018 15.789 1.00 0.32 C ATOM 1351 C GLY B 29 -10.721 -5.477 17.073 1.00 0.29 C ATOM 1352 O GLY B 29 -11.126 -6.616 17.197 1.00 0.29 O ATOM 0 H GLY B 29 -8.908 -3.199 15.857 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.723 -4.448 15.173 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.717 -5.883 15.203 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.843 -4.607 18.037 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.491 -5.005 19.319 1.00 0.24 C ATOM 1358 C ILE B 30 -12.775 -4.205 19.548 1.00 0.23 C ATOM 1359 O ILE B 30 -12.851 -3.027 19.259 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.463 -4.692 20.404 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.183 -5.485 20.135 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.028 -5.086 21.771 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.533 -6.961 19.930 1.00 0.30 C ATOM 0 H ILE B 30 -10.523 -3.640 17.993 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.775 -6.057 19.319 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.240 -3.625 20.397 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.678 -5.093 19.252 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.492 -5.376 20.971 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.295 -4.863 22.546 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.942 -4.523 21.963 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.251 -6.153 21.779 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.622 -7.528 19.738 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.019 -7.348 20.826 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.208 -7.060 19.080 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.794 -4.857 20.032 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.098 -4.171 20.251 1.00 0.23 C ATOM 1377 C ALA B 31 -15.741 -4.671 21.547 1.00 0.20 C ATOM 1378 O ALA B 31 -15.327 -5.662 22.115 1.00 0.19 O ATOM 1379 CB ALA B 31 -15.955 -4.561 19.048 1.00 0.23 C ATOM 0 H ALA B 31 -13.780 -5.844 20.288 1.00 0.22 H new ATOM 0 HA ALA B 31 -14.988 -3.090 20.342 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.936 -4.094 19.134 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.471 -4.223 18.132 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.070 -5.645 19.019 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.745 -3.991 22.025 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.404 -4.424 23.290 1.00 0.21 C ATOM 1387 C GLU B 32 -17.835 -5.892 23.197 1.00 0.19 C ATOM 1388 O GLU B 32 -18.248 -6.362 22.157 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.625 -3.516 23.429 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.307 -3.779 24.773 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.587 -2.946 24.868 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.888 -2.247 23.914 1.00 1.13 O ATOM 1393 OE2 GLU B 32 -21.244 -3.021 25.893 1.00 1.12 O ATOM 0 H GLU B 32 -17.138 -3.154 21.595 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.735 -4.348 24.147 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.324 -2.471 23.361 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.323 -3.700 22.613 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.542 -4.839 24.872 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.633 -3.524 25.591 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.788 -6.599 24.298 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.245 -8.024 24.328 1.00 0.20 C ATOM 1402 C LYS B 33 -17.225 -8.948 23.650 1.00 0.18 C ATOM 1403 O LYS B 33 -17.328 -10.155 23.731 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.577 -8.050 23.573 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.332 -9.335 23.922 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.633 -9.398 23.120 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.459 -10.601 23.579 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.058 -10.184 24.877 1.00 1.88 N ATOM 0 H LYS B 33 -17.447 -6.244 25.191 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.353 -8.381 25.352 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.176 -7.179 23.839 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.400 -7.999 22.499 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.713 -10.204 23.700 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.549 -9.363 24.990 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.202 -8.479 23.258 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.413 -9.480 22.056 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -23.230 -10.851 22.851 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.834 -11.486 23.699 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -22.784 -10.859 25.619 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -22.715 -9.235 25.129 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -24.094 -10.166 24.791 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.189 -8.403 23.074 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.117 -9.275 22.509 1.00 0.16 C ATOM 1424 C ASP B 34 -14.236 -9.818 23.635 1.00 0.19 C ATOM 1425 O ASP B 34 -14.331 -9.387 24.766 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.309 -8.374 21.579 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.118 -8.105 20.311 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.165 -8.712 20.157 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.675 -7.297 19.515 1.00 1.09 O ATOM 0 H ASP B 34 -16.037 -7.400 22.970 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.524 -10.136 21.978 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.071 -7.435 22.079 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.361 -8.849 21.326 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.439 -10.813 23.355 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.624 -11.436 24.436 1.00 0.28 C ATOM 1436 C ALA B 35 -11.158 -10.998 24.335 1.00 0.20 C ATOM 1437 O ALA B 35 -10.528 -11.131 23.304 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.750 -12.942 24.204 1.00 0.36 C ATOM 0 H ALA B 35 -13.317 -11.220 22.428 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.968 -11.140 25.427 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.176 -13.476 24.961 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.798 -13.234 24.270 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.366 -13.191 23.215 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.589 -10.571 25.428 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.136 -10.233 25.443 1.00 0.21 C ATOM 1446 C LEU B 36 -8.375 -11.290 26.243 1.00 0.19 C ATOM 1447 O LEU B 36 -8.810 -11.691 27.302 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.047 -8.888 26.161 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.067 -7.912 25.578 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.279 -6.770 26.570 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.539 -7.351 24.254 1.00 0.56 C ATOM 0 H LEU B 36 -11.070 -10.441 26.318 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.710 -10.195 24.440 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.230 -9.023 27.227 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.042 -8.479 26.060 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.011 -8.425 25.398 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.006 -6.066 26.165 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.650 -7.171 27.513 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.333 -6.256 26.741 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.267 -6.654 23.838 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.598 -6.830 24.429 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.376 -8.168 23.552 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.186 -11.631 25.838 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.358 -12.525 26.695 1.00 0.20 C ATOM 1465 C GLU B 37 -5.242 -11.718 27.358 1.00 0.18 C ATOM 1466 O GLU B 37 -4.728 -10.771 26.793 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.791 -13.585 25.751 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.005 -14.620 26.559 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.366 -15.634 25.608 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.558 -15.496 24.411 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.698 -16.532 26.092 1.00 1.07 O ATOM 0 H GLU B 37 -6.754 -11.335 24.963 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.935 -12.985 27.498 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.600 -14.072 25.206 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.143 -13.118 25.010 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.235 -14.126 27.151 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.667 -15.130 27.259 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.982 -11.985 28.605 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.039 -11.129 29.374 1.00 0.20 C ATOM 1480 C ILE B 38 -2.730 -11.872 29.630 1.00 0.19 C ATOM 1481 O ILE B 38 -2.719 -13.014 30.059 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.756 -10.839 30.693 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.108 -10.181 30.402 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.902 -9.893 31.540 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.880 -10.003 31.711 1.00 0.84 C ATOM 0 H ILE B 38 -5.384 -12.763 29.128 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.782 -10.216 28.837 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.913 -11.771 31.235 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.958 -9.214 29.921 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.682 -10.796 29.709 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.412 -9.686 32.481 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.938 -10.358 31.745 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.746 -8.960 30.998 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.842 -9.535 31.505 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -7.042 -10.977 32.173 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.306 -9.371 32.389 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.634 -11.222 29.353 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.296 -11.846 29.543 1.00 0.20 C ATOM 1499 C TYR B 39 0.503 -11.059 30.586 1.00 0.20 C ATOM 1500 O TYR B 39 0.327 -9.867 30.734 1.00 0.19 O ATOM 1501 CB TYR B 39 0.377 -11.719 28.178 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.118 -12.785 27.242 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.453 -12.792 26.819 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.769 -13.759 26.779 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.898 -13.779 25.932 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.325 -14.746 25.896 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.008 -14.757 25.471 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.442 -15.734 24.599 1.00 0.45 O ATOM 0 H TYR B 39 -1.610 -10.267 28.996 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.360 -12.878 29.889 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.173 -10.735 27.757 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.458 -11.800 28.291 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.138 -12.037 27.177 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.799 -13.749 27.104 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.927 -13.786 25.603 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.011 -15.501 25.541 1.00 0.36 H new ATOM 0 HH TYR B 39 -1.170 -16.614 24.932 1.00 0.45 H new ATOM 1518 N VAL B 40 1.473 -11.674 31.204 1.00 0.21 N ATOM 1519 CA VAL B 40 2.377 -10.898 32.105 1.00 0.21 C ATOM 1520 C VAL B 40 3.842 -11.217 31.796 1.00 0.21 C ATOM 1521 O VAL B 40 4.281 -12.344 31.917 1.00 0.23 O ATOM 1522 CB VAL B 40 2.015 -11.349 33.519 1.00 0.24 C ATOM 1523 CG1 VAL B 40 2.987 -10.722 34.518 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.590 -10.895 33.843 1.00 0.26 C ATOM 0 H VAL B 40 1.679 -12.670 31.127 1.00 0.21 H new ATOM 0 HA VAL B 40 2.256 -9.822 31.978 1.00 0.21 H new ATOM 0 HB VAL B 40 2.078 -12.435 33.584 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.729 -11.043 35.527 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.003 -11.039 34.285 1.00 0.26 H new ATOM 0 HG13 VAL B 40 2.922 -9.636 34.456 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.327 -11.215 34.851 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.531 -9.808 33.780 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.104 -11.338 33.129 1.00 0.26 H new ATOM 1534 N ASP B 41 4.612 -10.226 31.433 1.00 0.21 N ATOM 1535 CA ASP B 41 6.058 -10.469 31.158 1.00 0.21 C ATOM 1536 C ASP B 41 6.887 -9.228 31.505 1.00 0.24 C ATOM 1537 O ASP B 41 6.391 -8.123 31.499 1.00 0.26 O ATOM 1538 CB ASP B 41 6.135 -10.760 29.656 1.00 0.19 C ATOM 1539 CG ASP B 41 5.774 -9.499 28.866 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.327 -8.545 29.479 1.00 1.77 O ATOM 1541 OD2 ASP B 41 5.953 -9.511 27.659 1.00 1.68 O ATOM 0 H ASP B 41 4.303 -9.261 31.315 1.00 0.21 H new ATOM 0 HA ASP B 41 6.454 -11.290 31.755 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.139 -11.092 29.391 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.453 -11.570 29.397 1.00 0.19 H new ATOM 1546 N ASP B 42 8.171 -9.391 31.665 1.00 0.27 N ATOM 1547 CA ASP B 42 9.065 -8.206 31.838 1.00 0.32 C ATOM 1548 C ASP B 42 8.438 -7.161 32.771 1.00 0.32 C ATOM 1549 O ASP B 42 8.591 -5.972 32.570 1.00 0.37 O ATOM 1550 CB ASP B 42 9.225 -7.635 30.430 1.00 0.37 C ATOM 1551 CG ASP B 42 10.114 -6.393 30.477 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.676 -6.130 31.528 1.00 1.14 O ATOM 1553 OD2 ASP B 42 10.217 -5.724 29.463 1.00 1.21 O ATOM 0 H ASP B 42 8.643 -10.295 31.684 1.00 0.27 H new ATOM 0 HA ASP B 42 10.017 -8.482 32.291 1.00 0.32 H new ATOM 0 HB2 ASP B 42 9.664 -8.384 29.771 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.249 -7.380 30.017 1.00 0.37 H new ATOM 1558 N GLU B 43 7.816 -7.587 33.838 1.00 0.29 N ATOM 1559 CA GLU B 43 7.280 -6.604 34.829 1.00 0.30 C ATOM 1560 C GLU B 43 6.325 -5.621 34.149 1.00 0.29 C ATOM 1561 O GLU B 43 5.927 -4.628 34.726 1.00 0.30 O ATOM 1562 CB GLU B 43 8.511 -5.872 35.365 1.00 0.34 C ATOM 1563 CG GLU B 43 9.434 -6.871 36.066 1.00 1.17 C ATOM 1564 CD GLU B 43 10.629 -6.128 36.665 1.00 1.34 C ATOM 1565 OE1 GLU B 43 10.778 -4.952 36.374 1.00 1.68 O ATOM 1566 OE2 GLU B 43 11.377 -6.747 37.404 1.00 1.92 O ATOM 0 H GLU B 43 7.656 -8.568 34.067 1.00 0.29 H new ATOM 0 HA GLU B 43 6.714 -7.091 35.623 1.00 0.30 H new ATOM 0 HB2 GLU B 43 9.041 -5.383 34.548 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.208 -5.090 36.061 1.00 0.34 H new ATOM 0 HG2 GLU B 43 8.889 -7.397 36.850 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.778 -7.624 35.357 1.00 1.17 H new ATOM 1573 N LYS B 44 5.869 -5.945 32.971 1.00 0.29 N ATOM 1574 CA LYS B 44 4.842 -5.092 32.310 1.00 0.30 C ATOM 1575 C LYS B 44 3.670 -5.961 31.849 1.00 0.27 C ATOM 1576 O LYS B 44 3.742 -7.174 31.866 1.00 0.26 O ATOM 1577 CB LYS B 44 5.548 -4.451 31.110 1.00 0.34 C ATOM 1578 CG LYS B 44 5.866 -5.520 30.065 1.00 1.29 C ATOM 1579 CD LYS B 44 6.645 -4.888 28.910 1.00 1.23 C ATOM 1580 CE LYS B 44 6.692 -5.862 27.731 1.00 1.90 C ATOM 1581 NZ LYS B 44 8.102 -5.820 27.252 1.00 2.00 N ATOM 0 H LYS B 44 6.163 -6.763 32.438 1.00 0.29 H new ATOM 0 HA LYS B 44 4.439 -4.334 32.982 1.00 0.30 H new ATOM 0 HB2 LYS B 44 4.914 -3.679 30.673 1.00 0.34 H new ATOM 0 HB3 LYS B 44 6.467 -3.963 31.435 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.450 -6.322 30.516 1.00 1.29 H new ATOM 0 HG3 LYS B 44 4.944 -5.967 29.694 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.171 -3.955 28.606 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.657 -4.641 29.232 1.00 1.23 H new ATOM 0 HE2 LYS B 44 6.410 -6.869 28.039 1.00 1.90 H new ATOM 0 HE3 LYS B 44 5.999 -5.563 26.945 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 8.270 -6.611 26.598 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 8.274 -4.921 26.759 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 8.747 -5.899 28.064 1.00 2.00 H new ATOM 1595 N ILE B 45 2.568 -5.356 31.513 1.00 0.28 N ATOM 1596 CA ILE B 45 1.366 -6.154 31.143 1.00 0.26 C ATOM 1597 C ILE B 45 1.266 -6.292 29.623 1.00 0.26 C ATOM 1598 O ILE B 45 1.376 -5.326 28.894 1.00 0.29 O ATOM 1599 CB ILE B 45 0.183 -5.353 31.686 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.370 -5.129 33.188 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.113 -6.128 31.444 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.655 -4.109 33.683 1.00 1.24 C ATOM 0 H ILE B 45 2.446 -4.344 31.478 1.00 0.28 H new ATOM 0 HA ILE B 45 1.400 -7.165 31.550 1.00 0.26 H new ATOM 0 HB ILE B 45 0.130 -4.391 31.177 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.250 -6.070 33.724 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.380 -4.773 33.390 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.956 -5.556 31.831 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.245 -6.291 30.374 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.062 -7.090 31.954 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.522 -3.949 34.753 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.514 -3.166 33.155 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.661 -4.483 33.494 1.00 1.24 H new ATOM 1614 N ILE B 46 1.010 -7.482 29.152 1.00 0.26 N ATOM 1615 CA ILE B 46 0.844 -7.697 27.686 1.00 0.29 C ATOM 1616 C ILE B 46 -0.603 -8.098 27.379 1.00 0.28 C ATOM 1617 O ILE B 46 -1.093 -9.098 27.859 1.00 0.31 O ATOM 1618 CB ILE B 46 1.805 -8.842 27.350 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.238 -8.419 27.676 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.698 -9.195 25.864 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.508 -7.037 27.084 1.00 0.50 C ATOM 0 H ILE B 46 0.908 -8.320 29.724 1.00 0.26 H new ATOM 0 HA ILE B 46 1.057 -6.801 27.102 1.00 0.29 H new ATOM 0 HB ILE B 46 1.540 -9.717 27.944 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.386 -8.399 28.756 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.944 -9.144 27.271 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.384 -10.010 25.633 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.678 -9.504 25.636 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.955 -8.323 25.263 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.529 -6.735 27.316 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.377 -7.073 26.002 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.811 -6.316 27.510 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.292 -7.332 26.580 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.702 -7.691 26.247 1.00 0.29 C ATOM 1635 C LEU B 47 -2.844 -7.931 24.744 1.00 0.31 C ATOM 1636 O LEU B 47 -2.366 -7.158 23.938 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.536 -6.485 26.674 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.286 -6.186 28.153 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.976 -5.410 28.300 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.439 -5.345 28.704 1.00 1.23 C ATOM 0 H LEU B 47 -0.944 -6.478 26.145 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.022 -8.604 26.749 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.276 -5.617 26.068 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.594 -6.685 26.507 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.220 -7.122 28.708 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.796 -5.196 29.354 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.153 -6.007 27.905 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.044 -4.474 27.746 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.262 -5.131 29.758 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.504 -4.409 28.150 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.374 -5.895 28.597 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.504 -8.987 24.359 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.681 -9.260 22.904 1.00 0.34 C ATOM 1654 C LYS B 48 -5.090 -9.790 22.629 1.00 0.27 C ATOM 1655 O LYS B 48 -5.764 -10.277 23.514 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.633 -10.321 22.565 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.972 -11.634 23.275 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.912 -12.682 22.933 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.567 -14.064 22.859 1.00 1.54 C ATOM 1660 NZ LYS B 48 -1.514 -14.958 22.299 1.00 1.74 N ATOM 0 H LYS B 48 -3.928 -9.671 24.986 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.558 -8.360 22.301 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.598 -10.479 21.487 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.644 -9.978 22.869 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -3.011 -11.478 24.353 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.958 -11.983 22.967 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.440 -12.440 21.981 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.126 -12.680 23.688 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -2.889 -14.402 23.844 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -3.452 -14.048 22.222 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -1.928 -15.563 21.562 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -0.753 -14.382 21.887 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -1.125 -15.554 23.058 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.521 -9.748 21.398 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.861 -10.307 21.062 1.00 0.25 C ATOM 1676 C LYS B 49 -6.928 -11.778 21.472 1.00 0.22 C ATOM 1677 O LYS B 49 -5.930 -12.469 21.504 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.988 -10.167 19.546 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.381 -10.625 19.108 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.488 -10.545 17.584 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.926 -10.850 17.156 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.810 -11.993 16.208 1.00 1.65 N ATOM 0 H LYS B 49 -5.005 -9.352 20.612 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.667 -9.790 21.582 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.824 -9.131 19.250 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.224 -10.765 19.049 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.562 -11.646 19.443 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.144 -9.998 19.570 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.198 -9.552 17.240 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.802 -11.255 17.123 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.547 -11.110 18.014 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.388 -9.986 16.678 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.756 -12.261 15.870 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.219 -11.714 15.399 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.373 -12.803 16.693 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.082 -12.240 21.859 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.189 -13.642 22.350 1.00 0.22 C ATOM 1698 C TYR B 50 -8.800 -14.543 21.274 1.00 0.25 C ATOM 1699 O TYR B 50 -9.935 -14.373 20.878 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.111 -13.559 23.566 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.282 -14.931 24.174 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.290 -15.905 24.006 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.436 -15.230 24.908 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.451 -17.174 24.571 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.598 -16.499 25.472 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.606 -17.472 25.305 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.765 -18.725 25.861 1.00 0.65 O ATOM 0 H TYR B 50 -8.954 -11.710 21.857 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.216 -14.067 22.598 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.694 -12.874 24.304 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.081 -13.158 23.272 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.400 -15.676 23.439 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.202 -14.480 25.039 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.685 -17.924 24.441 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.489 -16.729 26.037 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.620 -18.765 26.338 1.00 0.65 H new