USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 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: A 72 MET CE :methyl 159:sc= -0.0775 (180deg=-0.616) USER MOD Set 1.2: A 73 THR OG1 : rot 84:sc= 0.851 USER MOD Set 2.1: A 52 ASN : amide:sc= -1.76! C(o=-5.1!,f=-9!) USER MOD Set 2.2: A 55 CYS SG : rot -119:sc= -3.32! USER MOD Set 3.1: A 33 GLN : amide:sc= -0.345 K(o=0.4,f=-9.4!) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 137:sc= 0.74 (180deg=-0.979) USER MOD Single : A 12 GLN : amide:sc= 0.477 K(o=0.48,f=-4.5!) USER MOD Single : A 15 LYS NZ :NH3+ 129:sc= -0.0597 (180deg=-0.417) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.857 K(o=-0.86,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 43 THR OG1 : rot -81:sc= 0.662 USER MOD Single : A 45 THR OG1 : rot -96:sc= 1.33 USER MOD Single : A 49 GLN : amide:sc= -0.0674 K(o=-0.067,f=-0.71) USER MOD Single : A 50 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.4!) USER MOD Single : A 56 LYS NZ :NH3+ 150:sc=-0.00906 (180deg=-0.266) USER MOD Single : A 57 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0264) USER MOD Single : A 71 MET CE :methyl -165:sc= -0.0612 (180deg=-0.372) USER MOD Single : A 75 CYS SG : rot 96:sc= -1.64! USER MOD Single : A 76 GLN : amide:sc= 0.599 K(o=0.6,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 28.584 2.853 -9.980 1.00 10.57 N ATOM 130 CA ASP A 9 28.599 4.130 -9.272 1.00 10.51 C ATOM 131 C ASP A 9 27.393 4.223 -8.340 1.00 9.48 C ATOM 132 O ASP A 9 26.843 5.298 -8.121 1.00 9.50 O ATOM 133 CB ASP A 9 28.611 5.298 -10.267 1.00 11.48 C ATOM 134 CG ASP A 9 28.928 6.631 -9.611 1.00 12.16 C ATOM 135 OD1 ASP A 9 28.117 7.573 -9.747 1.00 12.46 O ATOM 136 OD2 ASP A 9 29.973 6.733 -8.928 1.00 12.54 O ATOM 0 HA ASP A 9 29.507 4.190 -8.672 1.00 10.51 H new ATOM 0 HB2 ASP A 9 29.347 5.098 -11.045 1.00 11.48 H new ATOM 0 HB3 ASP A 9 27.639 5.362 -10.756 1.00 11.48 H new ATOM 141 N ILE A 10 26.955 3.061 -7.868 1.00 8.74 N ATOM 142 CA ILE A 10 25.779 2.928 -7.003 1.00 7.86 C ATOM 143 C ILE A 10 25.818 3.831 -5.759 1.00 7.43 C ATOM 144 O ILE A 10 26.227 3.416 -4.678 1.00 6.73 O ATOM 145 CB ILE A 10 25.559 1.448 -6.578 1.00 7.25 C ATOM 146 CG1 ILE A 10 26.876 0.641 -6.569 1.00 7.42 C ATOM 147 CG2 ILE A 10 24.560 0.790 -7.506 1.00 7.55 C ATOM 148 CD1 ILE A 10 27.925 1.127 -5.589 1.00 7.84 C ATOM 0 H ILE A 10 27.409 2.172 -8.075 1.00 8.74 H new ATOM 0 HA ILE A 10 24.936 3.264 -7.607 1.00 7.86 H new ATOM 0 HB ILE A 10 25.172 1.454 -5.559 1.00 7.25 H new ATOM 0 HG12 ILE A 10 26.644 -0.399 -6.342 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.302 0.661 -7.572 1.00 7.42 H new ATOM 0 HG21 ILE A 10 24.410 -0.246 -7.203 1.00 7.55 H new ATOM 0 HG22 ILE A 10 23.611 1.324 -7.456 1.00 7.55 H new ATOM 0 HG23 ILE A 10 24.939 0.818 -8.528 1.00 7.55 H new ATOM 0 HD11 ILE A 10 28.810 0.495 -5.660 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.194 2.156 -5.825 1.00 7.84 H new ATOM 0 HD13 ILE A 10 27.526 1.080 -4.576 1.00 7.84 H new ATOM 160 N ARG A 11 25.373 5.071 -5.925 1.00 8.07 N ATOM 161 CA ARG A 11 25.210 5.991 -4.809 1.00 7.96 C ATOM 162 C ARG A 11 23.879 6.725 -4.925 1.00 7.79 C ATOM 163 O ARG A 11 23.529 7.236 -5.988 1.00 8.29 O ATOM 164 CB ARG A 11 26.398 6.970 -4.705 1.00 9.08 C ATOM 165 CG ARG A 11 26.948 7.476 -6.035 1.00 9.98 C ATOM 166 CD ARG A 11 26.087 8.568 -6.651 1.00 10.66 C ATOM 167 NE ARG A 11 26.618 9.024 -7.937 1.00 11.50 N ATOM 168 CZ ARG A 11 26.311 10.193 -8.499 1.00 12.34 C ATOM 169 NH1 ARG A 11 25.488 11.033 -7.884 1.00 12.46 N ATOM 170 NH2 ARG A 11 26.835 10.525 -9.672 1.00 13.19 N ATOM 0 H ARG A 11 25.117 5.464 -6.831 1.00 8.07 H new ATOM 0 HA ARG A 11 25.199 5.414 -3.884 1.00 7.96 H new ATOM 0 HB2 ARG A 11 26.088 7.829 -4.109 1.00 9.08 H new ATOM 0 HB3 ARG A 11 27.205 6.479 -4.161 1.00 9.08 H new ATOM 0 HG2 ARG A 11 27.958 7.858 -5.884 1.00 9.98 H new ATOM 0 HG3 ARG A 11 27.023 6.642 -6.733 1.00 9.98 H new ATOM 0 HD2 ARG A 11 25.072 8.195 -6.789 1.00 10.66 H new ATOM 0 HD3 ARG A 11 26.025 9.412 -5.964 1.00 10.66 H new ATOM 0 HE ARG A 11 27.263 8.409 -8.434 1.00 11.50 H new ATOM 0 HH11 ARG A 11 25.089 10.785 -6.979 1.00 12.46 H new ATOM 0 HH12 ARG A 11 25.255 11.927 -8.316 1.00 12.46 H new ATOM 0 HH21 ARG A 11 27.474 9.885 -10.145 1.00 13.19 H new ATOM 0 HH22 ARG A 11 26.599 11.420 -10.101 1.00 13.19 H new ATOM 184 N GLN A 12 23.135 6.754 -3.828 1.00 7.29 N ATOM 185 CA GLN A 12 21.772 7.268 -3.831 1.00 7.16 C ATOM 186 C GLN A 12 21.735 8.790 -3.893 1.00 7.82 C ATOM 187 O GLN A 12 22.472 9.475 -3.182 1.00 8.10 O ATOM 188 CB GLN A 12 21.017 6.799 -2.584 1.00 6.33 C ATOM 189 CG GLN A 12 19.602 7.352 -2.503 1.00 6.44 C ATOM 190 CD GLN A 12 18.950 7.139 -1.155 1.00 6.33 C ATOM 191 OE1 GLN A 12 19.625 7.063 -0.128 1.00 6.37 O ATOM 192 NE2 GLN A 12 17.628 7.071 -1.148 1.00 6.60 N ATOM 0 H GLN A 12 23.456 6.425 -2.917 1.00 7.29 H new ATOM 0 HA GLN A 12 21.289 6.876 -4.726 1.00 7.16 H new ATOM 0 HB2 GLN A 12 20.976 5.710 -2.579 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.571 7.102 -1.695 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.624 8.419 -2.723 1.00 6.44 H new ATOM 0 HG3 GLN A 12 18.991 6.880 -3.272 1.00 6.44 H new ATOM 0 HE21 GLN A 12 17.109 7.139 -2.024 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.128 6.951 -0.267 1.00 6.60 H new ATOM 201 N GLY A 13 20.862 9.308 -4.749 1.00 8.30 N ATOM 202 CA GLY A 13 20.608 10.731 -4.787 1.00 9.01 C ATOM 203 C GLY A 13 19.327 11.076 -4.048 1.00 8.63 C ATOM 204 O GLY A 13 18.725 10.206 -3.423 1.00 7.84 O ATOM 0 H GLY A 13 20.323 8.761 -5.421 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.446 11.265 -4.339 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.535 11.063 -5.823 1.00 9.01 H new ATOM 208 N PRO A 14 18.871 12.332 -4.111 1.00 9.33 N ATOM 209 CA PRO A 14 17.690 12.785 -3.373 1.00 9.17 C ATOM 210 C PRO A 14 16.371 12.313 -3.989 1.00 8.90 C ATOM 211 O PRO A 14 15.317 12.404 -3.359 1.00 8.50 O ATOM 212 CB PRO A 14 17.781 14.320 -3.437 1.00 10.25 C ATOM 213 CG PRO A 14 19.096 14.632 -4.080 1.00 10.91 C ATOM 214 CD PRO A 14 19.468 13.422 -4.887 1.00 10.46 C ATOM 0 HA PRO A 14 17.686 12.380 -2.361 1.00 9.17 H new ATOM 0 HB2 PRO A 14 16.956 14.735 -4.016 1.00 10.25 H new ATOM 0 HB3 PRO A 14 17.722 14.756 -2.440 1.00 10.25 H new ATOM 0 HG2 PRO A 14 19.019 15.514 -4.715 1.00 10.91 H new ATOM 0 HG3 PRO A 14 19.855 14.846 -3.328 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.065 13.469 -5.899 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.548 13.311 -4.979 1.00 10.46 H new ATOM 222 N LYS A 15 16.425 11.815 -5.220 1.00 9.36 N ATOM 223 CA LYS A 15 15.207 11.441 -5.933 1.00 9.53 C ATOM 224 C LYS A 15 15.059 9.929 -6.032 1.00 9.20 C ATOM 225 O LYS A 15 13.946 9.401 -6.001 1.00 9.66 O ATOM 226 CB LYS A 15 15.217 12.037 -7.338 1.00 10.67 C ATOM 227 CG LYS A 15 15.625 13.496 -7.375 1.00 11.41 C ATOM 228 CD LYS A 15 15.640 14.034 -8.794 1.00 12.05 C ATOM 229 CE LYS A 15 14.231 14.225 -9.342 1.00 12.96 C ATOM 230 NZ LYS A 15 13.453 15.220 -8.555 1.00 13.55 N ATOM 0 H LYS A 15 17.289 11.662 -5.741 1.00 9.36 H new ATOM 0 HA LYS A 15 14.362 11.835 -5.368 1.00 9.53 H new ATOM 0 HB2 LYS A 15 15.900 11.461 -7.963 1.00 10.67 H new ATOM 0 HB3 LYS A 15 14.223 11.935 -7.774 1.00 10.67 H new ATOM 0 HG2 LYS A 15 14.935 14.083 -6.769 1.00 11.41 H new ATOM 0 HG3 LYS A 15 16.614 13.610 -6.931 1.00 11.41 H new ATOM 0 HD2 LYS A 15 16.171 14.986 -8.816 1.00 12.05 H new ATOM 0 HD3 LYS A 15 16.190 13.347 -9.437 1.00 12.05 H new ATOM 0 HE2 LYS A 15 14.288 14.550 -10.381 1.00 12.96 H new ATOM 0 HE3 LYS A 15 13.707 13.269 -9.335 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 13.039 15.925 -9.198 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 12.693 14.735 -8.037 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 14.083 15.697 -7.879 1.00 13.55 H new ATOM 244 N GLU A 16 16.182 9.240 -6.162 1.00 8.57 N ATOM 245 CA GLU A 16 16.169 7.790 -6.325 1.00 8.39 C ATOM 246 C GLU A 16 15.841 7.097 -5.003 1.00 7.72 C ATOM 247 O GLU A 16 16.489 7.348 -3.984 1.00 6.94 O ATOM 248 CB GLU A 16 17.522 7.295 -6.838 1.00 8.10 C ATOM 249 CG GLU A 16 17.463 5.898 -7.441 1.00 8.26 C ATOM 250 CD GLU A 16 16.901 5.895 -8.848 1.00 9.36 C ATOM 251 OE1 GLU A 16 15.720 6.245 -9.026 1.00 9.85 O ATOM 252 OE2 GLU A 16 17.648 5.543 -9.786 1.00 9.91 O ATOM 0 H GLU A 16 17.113 9.658 -6.158 1.00 8.57 H new ATOM 0 HA GLU A 16 15.397 7.544 -7.054 1.00 8.39 H new ATOM 0 HB2 GLU A 16 17.895 7.992 -7.589 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.238 7.298 -6.016 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.465 5.469 -7.453 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.849 5.258 -6.807 1.00 8.26 H new ATOM 259 N PRO A 17 14.818 6.229 -4.998 1.00 8.28 N ATOM 260 CA PRO A 17 14.463 5.440 -3.819 1.00 8.07 C ATOM 261 C PRO A 17 15.572 4.463 -3.434 1.00 7.31 C ATOM 262 O PRO A 17 16.109 3.762 -4.292 1.00 7.39 O ATOM 263 CB PRO A 17 13.204 4.676 -4.245 1.00 9.21 C ATOM 264 CG PRO A 17 12.704 5.382 -5.460 1.00 9.95 C ATOM 265 CD PRO A 17 13.917 5.960 -6.128 1.00 9.45 C ATOM 0 HA PRO A 17 14.308 6.070 -2.943 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.433 3.633 -4.463 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.455 4.679 -3.453 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.183 4.694 -6.125 1.00 9.95 H new ATOM 0 HG3 PRO A 17 11.995 6.165 -5.193 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.358 5.261 -6.839 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.679 6.869 -6.680 1.00 9.45 H new ATOM 273 N PHE A 18 15.921 4.450 -2.153 1.00 6.75 N ATOM 274 CA PHE A 18 17.053 3.673 -1.644 1.00 6.11 C ATOM 275 C PHE A 18 17.091 2.250 -2.203 1.00 6.56 C ATOM 276 O PHE A 18 18.050 1.881 -2.882 1.00 6.14 O ATOM 277 CB PHE A 18 17.003 3.633 -0.118 1.00 6.14 C ATOM 278 CG PHE A 18 18.197 2.981 0.525 1.00 5.98 C ATOM 279 CD1 PHE A 18 19.430 3.615 0.537 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.081 1.742 1.132 1.00 5.83 C ATOM 281 CE1 PHE A 18 20.522 3.027 1.144 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.171 1.147 1.737 1.00 6.04 C ATOM 283 CZ PHE A 18 20.392 1.791 1.744 1.00 6.38 C ATOM 0 H PHE A 18 15.428 4.978 -1.433 1.00 6.75 H new ATOM 0 HA PHE A 18 17.964 4.170 -1.978 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.915 4.652 0.258 1.00 6.14 H new ATOM 0 HB3 PHE A 18 16.103 3.101 0.190 1.00 6.14 H new ATOM 0 HD1 PHE A 18 19.538 4.581 0.066 1.00 6.36 H new ATOM 0 HD2 PHE A 18 17.127 1.235 1.132 1.00 5.83 H new ATOM 0 HE1 PHE A 18 21.476 3.533 1.149 1.00 6.55 H new ATOM 0 HE2 PHE A 18 19.068 0.179 2.204 1.00 6.04 H new ATOM 0 HZ PHE A 18 21.245 1.328 2.219 1.00 6.38 H new ATOM 293 N ARG A 19 16.036 1.471 -1.949 1.00 7.57 N ATOM 294 CA ARG A 19 16.012 0.059 -2.333 1.00 8.30 C ATOM 295 C ARG A 19 16.140 -0.117 -3.846 1.00 8.53 C ATOM 296 O ARG A 19 16.561 -1.171 -4.322 1.00 8.98 O ATOM 297 CB ARG A 19 14.728 -0.614 -1.838 1.00 9.53 C ATOM 298 CG ARG A 19 14.746 -2.128 -1.975 1.00 10.28 C ATOM 299 CD ARG A 19 13.432 -2.751 -1.535 1.00 11.35 C ATOM 300 NE ARG A 19 13.483 -4.212 -1.567 1.00 12.03 N ATOM 301 CZ ARG A 19 12.417 -5.004 -1.445 1.00 13.02 C ATOM 302 NH1 ARG A 19 11.206 -4.481 -1.302 1.00 13.43 N ATOM 303 NH2 ARG A 19 12.563 -6.322 -1.470 1.00 13.72 N ATOM 0 H ARG A 19 15.190 1.794 -1.480 1.00 7.57 H new ATOM 0 HA ARG A 19 16.871 -0.419 -1.862 1.00 8.30 H new ATOM 0 HB2 ARG A 19 14.571 -0.354 -0.791 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.880 -0.217 -2.396 1.00 9.53 H new ATOM 0 HG2 ARG A 19 14.946 -2.397 -3.012 1.00 10.28 H new ATOM 0 HG3 ARG A 19 15.560 -2.537 -1.377 1.00 10.28 H new ATOM 0 HD2 ARG A 19 13.193 -2.418 -0.525 1.00 11.35 H new ATOM 0 HD3 ARG A 19 12.629 -2.402 -2.184 1.00 11.35 H new ATOM 0 HE ARG A 19 14.394 -4.654 -1.691 1.00 12.03 H new ATOM 0 HH11 ARG A 19 11.087 -3.468 -1.285 1.00 13.43 H new ATOM 0 HH12 ARG A 19 10.394 -5.092 -1.209 1.00 13.43 H new ATOM 0 HH21 ARG A 19 13.491 -6.730 -1.583 1.00 13.72 H new ATOM 0 HH22 ARG A 19 11.747 -6.927 -1.377 1.00 13.72 H new ATOM 317 N ASP A 20 15.790 0.916 -4.599 1.00 8.44 N ATOM 318 CA ASP A 20 15.897 0.864 -6.049 1.00 9.01 C ATOM 319 C ASP A 20 17.359 0.919 -6.459 1.00 8.27 C ATOM 320 O ASP A 20 17.806 0.157 -7.314 1.00 8.68 O ATOM 321 CB ASP A 20 15.123 2.014 -6.697 1.00 9.59 C ATOM 322 CG ASP A 20 15.071 1.896 -8.208 1.00 10.55 C ATOM 323 OD1 ASP A 20 15.756 2.685 -8.892 1.00 11.24 O ATOM 324 OD2 ASP A 20 14.358 1.010 -8.720 1.00 10.78 O ATOM 0 H ASP A 20 15.431 1.797 -4.231 1.00 8.44 H new ATOM 0 HA ASP A 20 15.461 -0.073 -6.394 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.107 2.033 -6.302 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.589 2.961 -6.425 1.00 9.59 H new ATOM 329 N TYR A 21 18.110 1.810 -5.823 1.00 7.30 N ATOM 330 CA TYR A 21 19.538 1.918 -6.080 1.00 6.73 C ATOM 331 C TYR A 21 20.261 0.707 -5.505 1.00 6.19 C ATOM 332 O TYR A 21 21.190 0.171 -6.114 1.00 6.24 O ATOM 333 CB TYR A 21 20.106 3.202 -5.473 1.00 6.06 C ATOM 334 CG TYR A 21 20.874 4.040 -6.471 1.00 5.92 C ATOM 335 CD1 TYR A 21 20.588 5.388 -6.636 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.886 3.487 -7.236 1.00 6.13 C ATOM 337 CE1 TYR A 21 21.294 6.160 -7.539 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.598 4.250 -8.140 1.00 6.47 C ATOM 339 CZ TYR A 21 22.269 5.576 -8.318 1.00 6.60 C ATOM 340 OH TYR A 21 22.999 6.348 -9.189 1.00 7.29 O ATOM 0 H TYR A 21 17.754 2.466 -5.128 1.00 7.30 H new ATOM 0 HA TYR A 21 19.692 1.952 -7.159 1.00 6.73 H new ATOM 0 HB2 TYR A 21 19.289 3.795 -5.062 1.00 6.06 H new ATOM 0 HB3 TYR A 21 20.763 2.945 -4.642 1.00 6.06 H new ATOM 0 HD1 TYR A 21 19.802 5.841 -6.050 1.00 6.01 H new ATOM 0 HD2 TYR A 21 22.123 2.439 -7.124 1.00 6.13 H new ATOM 0 HE1 TYR A 21 21.083 7.215 -7.634 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.407 3.810 -8.704 1.00 6.47 H new ATOM 0 HH TYR A 21 23.646 5.784 -9.662 1.00 7.29 H new ATOM 350 N VAL A 22 19.808 0.271 -4.336 1.00 5.96 N ATOM 351 CA VAL A 22 20.377 -0.894 -3.672 1.00 5.81 C ATOM 352 C VAL A 22 20.153 -2.148 -4.506 1.00 6.77 C ATOM 353 O VAL A 22 20.917 -3.103 -4.418 1.00 6.77 O ATOM 354 CB VAL A 22 19.781 -1.088 -2.259 1.00 5.93 C ATOM 355 CG1 VAL A 22 20.335 -2.336 -1.587 1.00 6.61 C ATOM 356 CG2 VAL A 22 20.058 0.135 -1.407 1.00 5.41 C ATOM 0 H VAL A 22 19.042 0.711 -3.825 1.00 5.96 H new ATOM 0 HA VAL A 22 21.448 -0.721 -3.568 1.00 5.81 H new ATOM 0 HB VAL A 22 18.704 -1.218 -2.362 1.00 5.93 H new ATOM 0 HG11 VAL A 22 19.895 -2.441 -0.596 1.00 6.61 H new ATOM 0 HG12 VAL A 22 20.090 -3.212 -2.188 1.00 6.61 H new ATOM 0 HG13 VAL A 22 21.418 -2.250 -1.496 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.635 -0.010 -0.413 1.00 5.41 H new ATOM 0 HG22 VAL A 22 21.135 0.285 -1.324 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.604 1.011 -1.870 1.00 5.41 H new ATOM 366 N ASP A 23 19.116 -2.127 -5.333 1.00 7.71 N ATOM 367 CA ASP A 23 18.817 -3.249 -6.214 1.00 8.82 C ATOM 368 C ASP A 23 20.031 -3.613 -7.060 1.00 8.87 C ATOM 369 O ASP A 23 20.408 -4.782 -7.141 1.00 9.30 O ATOM 370 CB ASP A 23 17.627 -2.926 -7.118 1.00 9.88 C ATOM 371 CG ASP A 23 17.270 -4.078 -8.036 1.00 11.09 C ATOM 372 OD1 ASP A 23 16.877 -5.149 -7.527 1.00 11.57 O ATOM 373 OD2 ASP A 23 17.379 -3.917 -9.270 1.00 11.68 O ATOM 0 H ASP A 23 18.467 -1.344 -5.412 1.00 7.71 H new ATOM 0 HA ASP A 23 18.559 -4.104 -5.589 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.764 -2.675 -6.502 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.858 -2.045 -7.717 1.00 9.88 H new ATOM 378 N ARG A 24 20.666 -2.611 -7.662 1.00 8.57 N ATOM 379 CA ARG A 24 21.835 -2.867 -8.496 1.00 8.91 C ATOM 380 C ARG A 24 23.113 -2.885 -7.654 1.00 8.10 C ATOM 381 O ARG A 24 24.089 -3.546 -8.013 1.00 8.53 O ATOM 382 CB ARG A 24 21.952 -1.880 -9.673 1.00 9.20 C ATOM 383 CG ARG A 24 21.906 -0.401 -9.315 1.00 9.35 C ATOM 384 CD ARG A 24 20.498 0.171 -9.426 1.00 9.42 C ATOM 385 NE ARG A 24 20.517 1.612 -9.687 1.00 10.13 N ATOM 386 CZ ARG A 24 19.435 2.398 -9.674 1.00 10.62 C ATOM 387 NH1 ARG A 24 18.247 1.891 -9.380 1.00 10.53 N ATOM 388 NH2 ARG A 24 19.546 3.691 -9.952 1.00 11.36 N ATOM 0 H ARG A 24 20.396 -1.630 -7.590 1.00 8.57 H new ATOM 0 HA ARG A 24 21.700 -3.855 -8.936 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.889 -2.078 -10.194 1.00 9.20 H new ATOM 0 HB3 ARG A 24 21.146 -2.088 -10.376 1.00 9.20 H new ATOM 0 HG2 ARG A 24 22.274 -0.263 -8.298 1.00 9.35 H new ATOM 0 HG3 ARG A 24 22.575 0.152 -9.974 1.00 9.35 H new ATOM 0 HD2 ARG A 24 19.961 -0.337 -10.227 1.00 9.42 H new ATOM 0 HD3 ARG A 24 19.952 -0.024 -8.503 1.00 9.42 H new ATOM 0 HE ARG A 24 21.417 2.046 -9.893 1.00 10.13 H new ATOM 0 HH11 ARG A 24 18.156 0.899 -9.163 1.00 10.53 H new ATOM 0 HH12 ARG A 24 17.424 2.493 -9.371 1.00 10.53 H new ATOM 0 HH21 ARG A 24 20.458 4.088 -10.176 1.00 11.36 H new ATOM 0 HH22 ARG A 24 18.719 4.288 -9.941 1.00 11.36 H new ATOM 402 N PHE A 25 23.094 -2.169 -6.531 1.00 7.02 N ATOM 403 CA PHE A 25 24.181 -2.212 -5.565 1.00 6.32 C ATOM 404 C PHE A 25 24.368 -3.643 -5.056 1.00 6.59 C ATOM 405 O PHE A 25 25.483 -4.113 -4.856 1.00 6.62 O ATOM 406 CB PHE A 25 23.829 -1.278 -4.404 1.00 5.33 C ATOM 407 CG PHE A 25 25.000 -0.761 -3.615 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.021 -1.624 -3.250 1.00 4.85 C ATOM 409 CD2 PHE A 25 25.090 0.570 -3.239 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.105 -1.172 -2.529 1.00 4.99 C ATOM 411 CE2 PHE A 25 26.173 1.028 -2.515 1.00 5.43 C ATOM 412 CZ PHE A 25 27.144 0.235 -2.157 1.00 5.29 C ATOM 0 H PHE A 25 22.328 -1.548 -6.270 1.00 7.02 H new ATOM 0 HA PHE A 25 25.113 -1.890 -6.030 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.275 -0.427 -4.800 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.160 -1.806 -3.725 1.00 5.33 H new ATOM 0 HD1 PHE A 25 25.966 -2.664 -3.534 1.00 4.85 H new ATOM 0 HD2 PHE A 25 24.304 1.257 -3.516 1.00 5.26 H new ATOM 0 HE1 PHE A 25 27.903 -1.843 -2.248 1.00 4.99 H new ATOM 0 HE2 PHE A 25 26.217 2.071 -2.238 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.975 0.621 -1.586 1.00 5.29 H new ATOM 422 N TYR A 26 23.254 -4.332 -4.877 1.00 7.06 N ATOM 423 CA TYR A 26 23.251 -5.691 -4.361 1.00 7.60 C ATOM 424 C TYR A 26 23.665 -6.667 -5.456 1.00 8.54 C ATOM 425 O TYR A 26 24.286 -7.692 -5.188 1.00 8.87 O ATOM 426 CB TYR A 26 21.854 -6.021 -3.829 1.00 8.10 C ATOM 427 CG TYR A 26 21.695 -7.418 -3.282 1.00 8.84 C ATOM 428 CD1 TYR A 26 22.370 -7.827 -2.139 1.00 9.57 C ATOM 429 CD2 TYR A 26 20.844 -8.323 -3.901 1.00 9.04 C ATOM 430 CE1 TYR A 26 22.201 -9.101 -1.630 1.00 10.37 C ATOM 431 CE2 TYR A 26 20.673 -9.595 -3.400 1.00 9.88 C ATOM 432 CZ TYR A 26 21.351 -9.981 -2.267 1.00 10.50 C ATOM 433 OH TYR A 26 21.171 -11.250 -1.766 1.00 11.44 O ATOM 0 H TYR A 26 22.325 -3.965 -5.085 1.00 7.06 H new ATOM 0 HA TYR A 26 23.969 -5.780 -3.545 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.603 -5.308 -3.043 1.00 8.10 H new ATOM 0 HB3 TYR A 26 21.132 -5.877 -4.633 1.00 8.10 H new ATOM 0 HD1 TYR A 26 23.037 -7.139 -1.640 1.00 9.57 H new ATOM 0 HD2 TYR A 26 20.307 -8.025 -4.790 1.00 9.04 H new ATOM 0 HE1 TYR A 26 22.731 -9.405 -0.740 1.00 10.37 H new ATOM 0 HE2 TYR A 26 20.008 -10.287 -3.895 1.00 9.88 H new ATOM 0 HH TYR A 26 20.540 -11.739 -2.334 1.00 11.44 H new ATOM 443 N LYS A 27 23.327 -6.319 -6.690 1.00 9.08 N ATOM 444 CA LYS A 27 23.679 -7.128 -7.850 1.00 10.12 C ATOM 445 C LYS A 27 25.193 -7.281 -7.984 1.00 10.01 C ATOM 446 O LYS A 27 25.697 -8.393 -8.129 1.00 10.69 O ATOM 447 CB LYS A 27 23.099 -6.499 -9.119 1.00 10.87 C ATOM 448 CG LYS A 27 21.604 -6.730 -9.299 1.00 11.19 C ATOM 449 CD LYS A 27 21.273 -8.200 -9.528 1.00 12.15 C ATOM 450 CE LYS A 27 21.868 -8.717 -10.830 1.00 12.87 C ATOM 451 NZ LYS A 27 21.524 -10.143 -11.074 1.00 13.47 N ATOM 0 H LYS A 27 22.804 -5.473 -6.915 1.00 9.08 H new ATOM 0 HA LYS A 27 23.254 -8.122 -7.711 1.00 10.12 H new ATOM 0 HB2 LYS A 27 23.291 -5.426 -9.100 1.00 10.87 H new ATOM 0 HB3 LYS A 27 23.625 -6.902 -9.985 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.074 -6.373 -8.416 1.00 11.19 H new ATOM 0 HG3 LYS A 27 21.246 -6.143 -10.145 1.00 11.19 H new ATOM 0 HD2 LYS A 27 21.652 -8.792 -8.695 1.00 12.15 H new ATOM 0 HD3 LYS A 27 20.191 -8.331 -9.546 1.00 12.15 H new ATOM 0 HE2 LYS A 27 21.506 -8.110 -11.660 1.00 12.87 H new ATOM 0 HE3 LYS A 27 22.952 -8.605 -10.802 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 21.949 -10.454 -11.971 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 21.891 -10.727 -10.296 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 20.491 -10.247 -11.127 1.00 13.47 H new ATOM 465 N THR A 28 25.918 -6.168 -7.913 1.00 9.28 N ATOM 466 CA THR A 28 27.369 -6.205 -8.051 1.00 9.35 C ATOM 467 C THR A 28 28.004 -6.959 -6.875 1.00 8.90 C ATOM 468 O THR A 28 29.087 -7.534 -7.003 1.00 9.29 O ATOM 469 CB THR A 28 27.973 -4.780 -8.185 1.00 9.07 C ATOM 470 OG1 THR A 28 29.382 -4.852 -8.450 1.00 9.27 O ATOM 471 CG2 THR A 28 27.739 -3.953 -6.932 1.00 8.30 C ATOM 0 H THR A 28 25.528 -5.238 -7.762 1.00 9.28 H new ATOM 0 HA THR A 28 27.598 -6.741 -8.972 1.00 9.35 H new ATOM 0 HB THR A 28 27.469 -4.294 -9.020 1.00 9.07 H new ATOM 0 HG1 THR A 28 29.746 -3.946 -8.533 1.00 9.27 H new ATOM 0 HG21 THR A 28 28.175 -2.963 -7.063 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.668 -3.857 -6.754 1.00 8.30 H new ATOM 0 HG23 THR A 28 28.206 -4.445 -6.079 1.00 8.30 H new ATOM 479 N LEU A 29 27.306 -6.988 -5.742 1.00 8.24 N ATOM 480 CA LEU A 29 27.765 -7.736 -4.575 1.00 8.03 C ATOM 481 C LEU A 29 27.604 -9.238 -4.795 1.00 8.87 C ATOM 482 O LEU A 29 28.321 -10.043 -4.205 1.00 9.09 O ATOM 483 CB LEU A 29 27.000 -7.303 -3.318 1.00 7.48 C ATOM 484 CG LEU A 29 27.704 -6.265 -2.432 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.944 -6.863 -1.786 1.00 6.93 C ATOM 486 CD2 LEU A 29 28.074 -5.025 -3.230 1.00 6.99 C ATOM 0 H LEU A 29 26.420 -6.502 -5.608 1.00 8.24 H new ATOM 0 HA LEU A 29 28.823 -7.518 -4.432 1.00 8.03 H new ATOM 0 HB2 LEU A 29 26.036 -6.897 -3.624 1.00 7.48 H new ATOM 0 HB3 LEU A 29 26.797 -8.189 -2.716 1.00 7.48 H new ATOM 0 HG LEU A 29 27.008 -5.971 -1.647 1.00 7.10 H new ATOM 0 HD11 LEU A 29 29.428 -6.111 -1.163 1.00 6.93 H new ATOM 0 HD12 LEU A 29 28.658 -7.716 -1.170 1.00 6.93 H new ATOM 0 HD13 LEU A 29 29.636 -7.191 -2.562 1.00 6.93 H new ATOM 0 HD21 LEU A 29 28.571 -4.307 -2.577 1.00 6.99 H new ATOM 0 HD22 LEU A 29 28.746 -5.302 -4.043 1.00 6.99 H new ATOM 0 HD23 LEU A 29 27.171 -4.575 -3.643 1.00 6.99 H new ATOM 498 N ARG A 30 26.664 -9.606 -5.657 1.00 9.50 N ATOM 499 CA ARG A 30 26.424 -11.008 -5.978 1.00 10.45 C ATOM 500 C ARG A 30 27.521 -11.541 -6.886 1.00 10.98 C ATOM 501 O ARG A 30 27.726 -12.747 -6.992 1.00 11.61 O ATOM 502 CB ARG A 30 25.070 -11.185 -6.659 1.00 11.14 C ATOM 503 CG ARG A 30 23.900 -10.709 -5.820 1.00 11.16 C ATOM 504 CD ARG A 30 23.799 -11.468 -4.504 1.00 11.94 C ATOM 505 NE ARG A 30 23.650 -12.908 -4.707 1.00 12.66 N ATOM 506 CZ ARG A 30 23.446 -13.783 -3.725 1.00 13.44 C ATOM 507 NH1 ARG A 30 23.352 -13.369 -2.468 1.00 13.60 N ATOM 508 NH2 ARG A 30 23.336 -15.075 -4.001 1.00 14.19 N ATOM 0 H ARG A 30 26.054 -8.952 -6.147 1.00 9.50 H new ATOM 0 HA ARG A 30 26.425 -11.570 -5.044 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.074 -10.641 -7.603 1.00 11.14 H new ATOM 0 HB3 ARG A 30 24.929 -12.239 -6.899 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.008 -9.644 -5.617 1.00 11.16 H new ATOM 0 HG3 ARG A 30 22.975 -10.834 -6.383 1.00 11.16 H new ATOM 0 HD2 ARG A 30 24.691 -11.277 -3.907 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.948 -11.093 -3.935 1.00 11.94 H new ATOM 0 HE ARG A 30 23.706 -13.265 -5.661 1.00 12.66 H new ATOM 0 HH11 ARG A 30 23.436 -12.376 -2.250 1.00 13.60 H new ATOM 0 HH12 ARG A 30 23.196 -14.044 -1.719 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.408 -15.398 -4.966 1.00 14.19 H new ATOM 0 HH22 ARG A 30 23.180 -15.746 -3.249 1.00 14.19 H new ATOM 522 N ALA A 31 28.203 -10.638 -7.562 1.00 10.87 N ATOM 523 CA ALA A 31 29.336 -11.013 -8.395 1.00 11.56 C ATOM 524 C ALA A 31 30.523 -11.438 -7.530 1.00 11.34 C ATOM 525 O ALA A 31 31.137 -12.481 -7.761 1.00 11.93 O ATOM 526 CB ALA A 31 29.725 -9.861 -9.310 1.00 11.84 C ATOM 0 H ALA A 31 27.995 -9.639 -7.553 1.00 10.87 H new ATOM 0 HA ALA A 31 29.044 -11.862 -9.013 1.00 11.56 H new ATOM 0 HB1 ALA A 31 30.574 -10.157 -9.927 1.00 11.84 H new ATOM 0 HB2 ALA A 31 28.882 -9.605 -9.952 1.00 11.84 H new ATOM 0 HB3 ALA A 31 29.998 -8.995 -8.708 1.00 11.84 H new ATOM 532 N GLU A 32 30.819 -10.636 -6.514 1.00 10.61 N ATOM 533 CA GLU A 32 31.973 -10.869 -5.646 1.00 10.60 C ATOM 534 C GLU A 32 31.629 -11.803 -4.482 1.00 10.54 C ATOM 535 O GLU A 32 31.987 -11.541 -3.331 1.00 10.89 O ATOM 536 CB GLU A 32 32.498 -9.534 -5.118 1.00 10.22 C ATOM 537 CG GLU A 32 31.455 -8.739 -4.357 1.00 9.56 C ATOM 538 CD GLU A 32 31.935 -7.352 -3.983 1.00 9.48 C ATOM 539 OE1 GLU A 32 32.497 -7.185 -2.881 1.00 9.47 O ATOM 540 OE2 GLU A 32 31.756 -6.416 -4.795 1.00 9.62 O ATOM 0 H GLU A 32 30.272 -9.811 -6.268 1.00 10.61 H new ATOM 0 HA GLU A 32 32.747 -11.358 -6.238 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.351 -9.719 -4.465 1.00 10.22 H new ATOM 0 HB3 GLU A 32 32.861 -8.937 -5.955 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.554 -8.656 -4.964 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.181 -9.280 -3.452 1.00 9.56 H new ATOM 547 N GLN A 33 30.950 -12.902 -4.792 1.00 10.31 N ATOM 548 CA GLN A 33 30.568 -13.906 -3.789 1.00 10.45 C ATOM 549 C GLN A 33 31.774 -14.447 -3.023 1.00 10.39 C ATOM 550 O GLN A 33 31.628 -14.996 -1.932 1.00 10.09 O ATOM 551 CB GLN A 33 29.850 -15.089 -4.450 1.00 10.44 C ATOM 552 CG GLN A 33 28.484 -14.763 -5.022 1.00 10.76 C ATOM 553 CD GLN A 33 27.488 -14.336 -3.965 1.00 11.12 C ATOM 554 OE1 GLN A 33 27.340 -13.153 -3.678 1.00 11.23 O ATOM 555 NE2 GLN A 33 26.808 -15.302 -3.371 1.00 11.52 N ATOM 0 H GLN A 33 30.647 -13.127 -5.740 1.00 10.31 H new ATOM 0 HA GLN A 33 29.903 -13.400 -3.089 1.00 10.45 H new ATOM 0 HB2 GLN A 33 30.480 -15.478 -5.250 1.00 10.44 H new ATOM 0 HB3 GLN A 33 29.740 -15.886 -3.715 1.00 10.44 H new ATOM 0 HG2 GLN A 33 28.586 -13.968 -5.760 1.00 10.76 H new ATOM 0 HG3 GLN A 33 28.097 -15.637 -5.546 1.00 10.76 H new ATOM 0 HE21 GLN A 33 26.962 -16.274 -3.640 1.00 11.52 H new ATOM 0 HE22 GLN A 33 26.130 -15.075 -2.644 1.00 11.52 H new ATOM 564 N ALA A 34 32.958 -14.285 -3.593 1.00 10.90 N ATOM 565 CA ALA A 34 34.160 -14.896 -3.040 1.00 11.19 C ATOM 566 C ALA A 34 34.655 -14.166 -1.795 1.00 11.09 C ATOM 567 O ALA A 34 35.080 -14.798 -0.830 1.00 11.27 O ATOM 568 CB ALA A 34 35.257 -14.957 -4.091 1.00 11.97 C ATOM 0 H ALA A 34 33.114 -13.736 -4.438 1.00 10.90 H new ATOM 0 HA ALA A 34 33.898 -15.910 -2.739 1.00 11.19 H new ATOM 0 HB1 ALA A 34 36.147 -15.416 -3.661 1.00 11.97 H new ATOM 0 HB2 ALA A 34 34.916 -15.551 -4.939 1.00 11.97 H new ATOM 0 HB3 ALA A 34 35.495 -13.948 -4.427 1.00 11.97 H new ATOM 574 N SER A 35 34.599 -12.842 -1.815 1.00 11.05 N ATOM 575 CA SER A 35 35.109 -12.033 -0.711 1.00 11.21 C ATOM 576 C SER A 35 34.087 -11.916 0.425 1.00 10.64 C ATOM 577 O SER A 35 33.758 -10.814 0.860 1.00 10.19 O ATOM 578 CB SER A 35 35.485 -10.644 -1.226 1.00 11.48 C ATOM 579 OG SER A 35 36.403 -10.730 -2.303 1.00 12.02 O ATOM 0 H SER A 35 34.205 -12.301 -2.585 1.00 11.05 H new ATOM 0 HA SER A 35 35.992 -12.528 -0.308 1.00 11.21 H new ATOM 0 HB2 SER A 35 34.587 -10.118 -1.550 1.00 11.48 H new ATOM 0 HB3 SER A 35 35.923 -10.059 -0.417 1.00 11.48 H new ATOM 0 HG SER A 35 36.626 -9.828 -2.615 1.00 12.02 H new ATOM 585 N GLN A 36 33.622 -13.060 0.924 1.00 10.85 N ATOM 586 CA GLN A 36 32.561 -13.102 1.932 1.00 10.51 C ATOM 587 C GLN A 36 32.909 -12.290 3.174 1.00 10.66 C ATOM 588 O GLN A 36 32.073 -11.539 3.683 1.00 10.26 O ATOM 589 CB GLN A 36 32.268 -14.543 2.337 1.00 11.11 C ATOM 590 CG GLN A 36 31.741 -15.398 1.199 1.00 11.25 C ATOM 591 CD GLN A 36 31.548 -16.850 1.588 1.00 11.80 C ATOM 592 OE1 GLN A 36 31.670 -17.747 0.754 1.00 12.14 O ATOM 593 NE2 GLN A 36 31.235 -17.095 2.852 1.00 12.09 N ATOM 0 H GLN A 36 33.966 -13.978 0.644 1.00 10.85 H new ATOM 0 HA GLN A 36 31.677 -12.656 1.476 1.00 10.51 H new ATOM 0 HB2 GLN A 36 33.180 -14.995 2.728 1.00 11.11 H new ATOM 0 HB3 GLN A 36 31.540 -14.543 3.148 1.00 11.11 H new ATOM 0 HG2 GLN A 36 30.790 -14.990 0.856 1.00 11.25 H new ATOM 0 HG3 GLN A 36 32.433 -15.342 0.359 1.00 11.25 H new ATOM 0 HE21 GLN A 36 31.143 -16.324 3.513 1.00 12.09 H new ATOM 0 HE22 GLN A 36 31.086 -18.055 3.164 1.00 12.09 H new ATOM 602 N GLU A 37 34.142 -12.433 3.655 1.00 11.37 N ATOM 603 CA GLU A 37 34.574 -11.732 4.860 1.00 11.85 C ATOM 604 C GLU A 37 34.536 -10.223 4.652 1.00 11.40 C ATOM 605 O GLU A 37 34.315 -9.459 5.590 1.00 11.56 O ATOM 606 CB GLU A 37 35.982 -12.169 5.276 1.00 12.76 C ATOM 607 CG GLU A 37 37.048 -11.938 4.215 1.00 12.82 C ATOM 608 CD GLU A 37 38.442 -12.252 4.716 1.00 13.79 C ATOM 609 OE1 GLU A 37 39.245 -11.310 4.886 1.00 14.44 O ATOM 610 OE2 GLU A 37 38.741 -13.440 4.955 1.00 13.98 O ATOM 0 H GLU A 37 34.856 -13.025 3.231 1.00 11.37 H new ATOM 0 HA GLU A 37 33.881 -11.992 5.660 1.00 11.85 H new ATOM 0 HB2 GLU A 37 36.264 -11.631 6.181 1.00 12.76 H new ATOM 0 HB3 GLU A 37 35.961 -13.229 5.529 1.00 12.76 H new ATOM 0 HG2 GLU A 37 36.830 -12.557 3.345 1.00 12.82 H new ATOM 0 HG3 GLU A 37 37.009 -10.900 3.885 1.00 12.82 H new ATOM 617 N VAL A 38 34.737 -9.806 3.415 1.00 11.01 N ATOM 618 CA VAL A 38 34.734 -8.396 3.075 1.00 10.78 C ATOM 619 C VAL A 38 33.304 -7.891 2.938 1.00 9.91 C ATOM 620 O VAL A 38 32.970 -6.813 3.422 1.00 9.82 O ATOM 621 CB VAL A 38 35.493 -8.136 1.756 1.00 10.99 C ATOM 622 CG1 VAL A 38 35.612 -6.644 1.483 1.00 11.05 C ATOM 623 CG2 VAL A 38 36.865 -8.785 1.792 1.00 11.61 C ATOM 0 H VAL A 38 34.905 -10.429 2.625 1.00 11.01 H new ATOM 0 HA VAL A 38 35.239 -7.861 3.879 1.00 10.78 H new ATOM 0 HB VAL A 38 34.922 -8.584 0.943 1.00 10.99 H new ATOM 0 HG11 VAL A 38 36.151 -6.487 0.548 1.00 11.05 H new ATOM 0 HG12 VAL A 38 34.616 -6.208 1.406 1.00 11.05 H new ATOM 0 HG13 VAL A 38 36.155 -6.167 2.299 1.00 11.05 H new ATOM 0 HG21 VAL A 38 37.384 -8.590 0.854 1.00 11.61 H new ATOM 0 HG22 VAL A 38 37.442 -8.371 2.619 1.00 11.61 H new ATOM 0 HG23 VAL A 38 36.755 -9.861 1.930 1.00 11.61 H new ATOM 633 N LYS A 39 32.463 -8.704 2.303 1.00 9.40 N ATOM 634 CA LYS A 39 31.082 -8.329 2.002 1.00 8.62 C ATOM 635 C LYS A 39 30.295 -8.007 3.266 1.00 8.49 C ATOM 636 O LYS A 39 29.518 -7.053 3.291 1.00 8.00 O ATOM 637 CB LYS A 39 30.379 -9.458 1.252 1.00 8.48 C ATOM 638 CG LYS A 39 31.082 -9.885 -0.026 1.00 8.87 C ATOM 639 CD LYS A 39 30.364 -11.048 -0.684 1.00 8.96 C ATOM 640 CE LYS A 39 29.020 -10.622 -1.241 1.00 9.53 C ATOM 641 NZ LYS A 39 28.169 -11.782 -1.589 1.00 9.78 N ATOM 0 H LYS A 39 32.718 -9.638 1.983 1.00 9.40 H new ATOM 0 HA LYS A 39 31.119 -7.434 1.381 1.00 8.62 H new ATOM 0 HB2 LYS A 39 30.293 -10.321 1.913 1.00 8.48 H new ATOM 0 HB3 LYS A 39 29.365 -9.142 1.008 1.00 8.48 H new ATOM 0 HG2 LYS A 39 31.127 -9.044 -0.718 1.00 8.87 H new ATOM 0 HG3 LYS A 39 32.110 -10.169 0.199 1.00 8.87 H new ATOM 0 HD2 LYS A 39 30.981 -11.452 -1.487 1.00 8.96 H new ATOM 0 HD3 LYS A 39 30.222 -11.848 0.042 1.00 8.96 H new ATOM 0 HE2 LYS A 39 28.504 -10.002 -0.508 1.00 9.53 H new ATOM 0 HE3 LYS A 39 29.174 -10.007 -2.128 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 27.195 -11.607 -1.269 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 28.175 -11.920 -2.620 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 28.538 -12.636 -1.123 1.00 9.78 H new ATOM 655 N ASN A 40 30.504 -8.807 4.305 1.00 9.12 N ATOM 656 CA ASN A 40 29.799 -8.633 5.576 1.00 9.38 C ATOM 657 C ASN A 40 29.999 -7.225 6.123 1.00 9.55 C ATOM 658 O ASN A 40 29.041 -6.554 6.503 1.00 9.39 O ATOM 659 CB ASN A 40 30.290 -9.663 6.603 1.00 10.35 C ATOM 660 CG ASN A 40 29.588 -9.537 7.946 1.00 10.85 C ATOM 661 OD1 ASN A 40 28.423 -9.141 8.022 1.00 10.92 O ATOM 662 ND2 ASN A 40 30.291 -9.881 9.014 1.00 11.43 N ATOM 0 H ASN A 40 31.160 -9.588 4.295 1.00 9.12 H new ATOM 0 HA ASN A 40 28.735 -8.786 5.394 1.00 9.38 H new ATOM 0 HB2 ASN A 40 30.132 -10.667 6.208 1.00 10.35 H new ATOM 0 HB3 ASN A 40 31.364 -9.543 6.747 1.00 10.35 H new ATOM 0 HD21 ASN A 40 29.871 -9.823 9.942 1.00 11.43 H new ATOM 0 HD22 ASN A 40 31.253 -10.204 8.909 1.00 11.43 H new ATOM 669 N ALA A 41 31.245 -6.775 6.138 1.00 10.04 N ATOM 670 CA ALA A 41 31.574 -5.457 6.654 1.00 10.52 C ATOM 671 C ALA A 41 31.302 -4.378 5.613 1.00 9.85 C ATOM 672 O ALA A 41 31.027 -3.226 5.951 1.00 10.08 O ATOM 673 CB ALA A 41 33.030 -5.420 7.084 1.00 11.43 C ATOM 0 H ALA A 41 32.046 -7.306 5.797 1.00 10.04 H new ATOM 0 HA ALA A 41 30.940 -5.257 7.518 1.00 10.52 H new ATOM 0 HB1 ALA A 41 33.270 -4.429 7.470 1.00 11.43 H new ATOM 0 HB2 ALA A 41 33.198 -6.164 7.863 1.00 11.43 H new ATOM 0 HB3 ALA A 41 33.668 -5.641 6.228 1.00 11.43 H new ATOM 679 N ALA A 42 31.374 -4.762 4.345 1.00 9.19 N ATOM 680 CA ALA A 42 31.211 -3.824 3.246 1.00 8.71 C ATOM 681 C ALA A 42 29.769 -3.371 3.090 1.00 7.86 C ATOM 682 O ALA A 42 29.505 -2.183 2.999 1.00 7.82 O ATOM 683 CB ALA A 42 31.704 -4.436 1.947 1.00 8.58 C ATOM 0 H ALA A 42 31.546 -5.724 4.053 1.00 9.19 H new ATOM 0 HA ALA A 42 31.811 -2.945 3.483 1.00 8.71 H new ATOM 0 HB1 ALA A 42 31.574 -3.720 1.135 1.00 8.58 H new ATOM 0 HB2 ALA A 42 32.760 -4.690 2.042 1.00 8.58 H new ATOM 0 HB3 ALA A 42 31.132 -5.338 1.730 1.00 8.58 H new ATOM 689 N THR A 43 28.843 -4.313 3.086 1.00 7.35 N ATOM 690 CA THR A 43 27.449 -4.013 2.770 1.00 6.63 C ATOM 691 C THR A 43 26.869 -2.958 3.707 1.00 6.87 C ATOM 692 O THR A 43 26.288 -1.964 3.265 1.00 6.42 O ATOM 693 CB THR A 43 26.587 -5.282 2.838 1.00 6.60 C ATOM 694 OG1 THR A 43 26.935 -6.035 4.007 1.00 6.93 O ATOM 695 CG2 THR A 43 26.777 -6.136 1.594 1.00 6.92 C ATOM 0 H THR A 43 29.026 -5.294 3.297 1.00 7.35 H new ATOM 0 HA THR A 43 27.434 -3.618 1.754 1.00 6.63 H new ATOM 0 HB THR A 43 25.539 -4.988 2.891 1.00 6.60 H new ATOM 0 HG1 THR A 43 27.745 -6.557 3.831 1.00 6.93 H new ATOM 0 HG21 THR A 43 26.156 -7.029 1.667 1.00 6.92 H new ATOM 0 HG22 THR A 43 26.488 -5.564 0.712 1.00 6.92 H new ATOM 0 HG23 THR A 43 27.824 -6.428 1.510 1.00 6.92 H new ATOM 703 N GLU A 44 27.064 -3.172 4.997 1.00 7.76 N ATOM 704 CA GLU A 44 26.513 -2.301 6.026 1.00 8.32 C ATOM 705 C GLU A 44 27.093 -0.888 5.950 1.00 8.48 C ATOM 706 O GLU A 44 26.403 0.089 6.229 1.00 8.35 O ATOM 707 CB GLU A 44 26.782 -2.907 7.403 1.00 9.53 C ATOM 708 CG GLU A 44 28.254 -3.178 7.671 1.00 10.03 C ATOM 709 CD GLU A 44 28.511 -3.675 9.076 1.00 11.07 C ATOM 710 OE1 GLU A 44 29.158 -2.951 9.858 1.00 11.69 O ATOM 711 OE2 GLU A 44 28.064 -4.788 9.408 1.00 11.42 O ATOM 0 H GLU A 44 27.608 -3.954 5.362 1.00 7.76 H new ATOM 0 HA GLU A 44 25.439 -2.220 5.859 1.00 8.32 H new ATOM 0 HB2 GLU A 44 26.400 -2.232 8.169 1.00 9.53 H new ATOM 0 HB3 GLU A 44 26.227 -3.840 7.495 1.00 9.53 H new ATOM 0 HG2 GLU A 44 28.619 -3.916 6.957 1.00 10.03 H new ATOM 0 HG3 GLU A 44 28.824 -2.264 7.504 1.00 10.03 H new ATOM 718 N THR A 45 28.359 -0.785 5.579 1.00 8.95 N ATOM 719 CA THR A 45 29.036 0.497 5.531 1.00 9.49 C ATOM 720 C THR A 45 28.821 1.176 4.189 1.00 8.79 C ATOM 721 O THR A 45 28.599 2.377 4.122 1.00 9.04 O ATOM 722 CB THR A 45 30.543 0.340 5.801 1.00 10.61 C ATOM 723 OG1 THR A 45 31.072 -0.739 5.020 1.00 11.34 O ATOM 724 CG2 THR A 45 30.806 0.084 7.277 1.00 11.01 C ATOM 0 H THR A 45 28.939 -1.578 5.306 1.00 8.95 H new ATOM 0 HA THR A 45 28.606 1.122 6.314 1.00 9.49 H new ATOM 0 HB THR A 45 31.039 1.269 5.518 1.00 10.61 H new ATOM 0 HG1 THR A 45 31.092 -1.556 5.562 1.00 11.34 H new ATOM 0 HG21 THR A 45 31.878 -0.023 7.442 1.00 11.01 H new ATOM 0 HG22 THR A 45 30.430 0.922 7.864 1.00 11.01 H new ATOM 0 HG23 THR A 45 30.298 -0.830 7.584 1.00 11.01 H new ATOM 732 N LEU A 46 28.871 0.381 3.131 1.00 8.07 N ATOM 733 CA LEU A 46 28.810 0.880 1.765 1.00 7.71 C ATOM 734 C LEU A 46 27.440 1.438 1.412 1.00 6.77 C ATOM 735 O LEU A 46 27.345 2.532 0.859 1.00 6.93 O ATOM 736 CB LEU A 46 29.190 -0.238 0.796 1.00 7.55 C ATOM 737 CG LEU A 46 30.587 -0.123 0.179 1.00 7.70 C ATOM 738 CD1 LEU A 46 30.668 1.069 -0.762 1.00 7.76 C ATOM 739 CD2 LEU A 46 31.633 0.001 1.273 1.00 8.22 C ATOM 0 H LEU A 46 28.955 -0.633 3.196 1.00 8.07 H new ATOM 0 HA LEU A 46 29.520 1.703 1.681 1.00 7.71 H new ATOM 0 HB2 LEU A 46 29.120 -1.191 1.321 1.00 7.55 H new ATOM 0 HB3 LEU A 46 28.456 -0.263 -0.009 1.00 7.55 H new ATOM 0 HG LEU A 46 30.782 -1.027 -0.398 1.00 7.70 H new ATOM 0 HD11 LEU A 46 31.670 1.129 -1.187 1.00 7.76 H new ATOM 0 HD12 LEU A 46 29.940 0.950 -1.564 1.00 7.76 H new ATOM 0 HD13 LEU A 46 30.453 1.984 -0.210 1.00 7.76 H new ATOM 0 HD21 LEU A 46 32.622 0.082 0.823 1.00 8.22 H new ATOM 0 HD22 LEU A 46 31.432 0.891 1.870 1.00 8.22 H new ATOM 0 HD23 LEU A 46 31.597 -0.881 1.913 1.00 8.22 H new ATOM 751 N LEU A 47 26.384 0.697 1.732 1.00 5.99 N ATOM 752 CA LEU A 47 25.025 1.154 1.453 1.00 5.15 C ATOM 753 C LEU A 47 24.738 2.444 2.214 1.00 5.48 C ATOM 754 O LEU A 47 23.970 3.288 1.764 1.00 5.21 O ATOM 755 CB LEU A 47 24.002 0.078 1.832 1.00 4.73 C ATOM 756 CG LEU A 47 24.044 -1.202 0.990 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.111 -2.251 1.577 1.00 4.20 C ATOM 758 CD2 LEU A 47 23.664 -0.910 -0.457 1.00 4.34 C ATOM 0 H LEU A 47 26.441 -0.217 2.182 1.00 5.99 H new ATOM 0 HA LEU A 47 24.940 1.347 0.384 1.00 5.15 H new ATOM 0 HB2 LEU A 47 24.155 -0.191 2.877 1.00 4.73 H new ATOM 0 HB3 LEU A 47 23.004 0.509 1.756 1.00 4.73 H new ATOM 0 HG LEU A 47 25.063 -1.588 1.006 1.00 4.22 H new ATOM 0 HD11 LEU A 47 23.151 -3.155 0.969 1.00 4.20 H new ATOM 0 HD12 LEU A 47 23.421 -2.485 2.595 1.00 4.20 H new ATOM 0 HD13 LEU A 47 22.091 -1.866 1.588 1.00 4.20 H new ATOM 0 HD21 LEU A 47 23.701 -1.833 -1.036 1.00 4.34 H new ATOM 0 HD22 LEU A 47 22.655 -0.499 -0.492 1.00 4.34 H new ATOM 0 HD23 LEU A 47 24.364 -0.189 -0.879 1.00 4.34 H new ATOM 770 N VAL A 48 25.374 2.580 3.369 1.00 6.32 N ATOM 771 CA VAL A 48 25.244 3.772 4.195 1.00 6.92 C ATOM 772 C VAL A 48 26.169 4.891 3.702 1.00 7.62 C ATOM 773 O VAL A 48 25.803 6.065 3.713 1.00 7.93 O ATOM 774 CB VAL A 48 25.547 3.428 5.674 1.00 7.91 C ATOM 775 CG1 VAL A 48 25.694 4.674 6.528 1.00 7.84 C ATOM 776 CG2 VAL A 48 24.451 2.536 6.234 1.00 8.67 C ATOM 0 H VAL A 48 25.993 1.869 3.759 1.00 6.32 H new ATOM 0 HA VAL A 48 24.218 4.131 4.118 1.00 6.92 H new ATOM 0 HB VAL A 48 26.499 2.898 5.702 1.00 7.91 H new ATOM 0 HG11 VAL A 48 25.906 4.386 7.558 1.00 7.84 H new ATOM 0 HG12 VAL A 48 26.513 5.283 6.145 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.769 5.249 6.495 1.00 7.84 H new ATOM 0 HG21 VAL A 48 24.671 2.298 7.275 1.00 8.67 H new ATOM 0 HG22 VAL A 48 23.494 3.055 6.175 1.00 8.67 H new ATOM 0 HG23 VAL A 48 24.400 1.614 5.654 1.00 8.67 H new ATOM 786 N GLN A 49 27.360 4.519 3.252 1.00 8.03 N ATOM 787 CA GLN A 49 28.341 5.481 2.783 1.00 8.97 C ATOM 788 C GLN A 49 27.902 6.093 1.462 1.00 8.65 C ATOM 789 O GLN A 49 27.950 7.312 1.285 1.00 9.36 O ATOM 790 CB GLN A 49 29.704 4.803 2.621 1.00 9.65 C ATOM 791 CG GLN A 49 30.812 5.756 2.222 1.00 10.72 C ATOM 792 CD GLN A 49 31.053 6.832 3.262 1.00 11.48 C ATOM 793 OE1 GLN A 49 30.842 6.619 4.454 1.00 11.55 O ATOM 794 NE2 GLN A 49 31.500 7.994 2.818 1.00 12.22 N ATOM 0 H GLN A 49 27.669 3.548 3.203 1.00 8.03 H new ATOM 0 HA GLN A 49 28.425 6.278 3.522 1.00 8.97 H new ATOM 0 HB2 GLN A 49 29.973 4.319 3.560 1.00 9.65 H new ATOM 0 HB3 GLN A 49 29.623 4.018 1.869 1.00 9.65 H new ATOM 0 HG2 GLN A 49 31.732 5.193 2.066 1.00 10.72 H new ATOM 0 HG3 GLN A 49 30.559 6.224 1.271 1.00 10.72 H new ATOM 0 HE21 GLN A 49 31.662 8.130 1.820 1.00 12.22 H new ATOM 0 HE22 GLN A 49 31.683 8.754 3.473 1.00 12.22 H new ATOM 803 N ASN A 50 27.463 5.243 0.544 1.00 7.73 N ATOM 804 CA ASN A 50 27.012 5.698 -0.767 1.00 7.72 C ATOM 805 C ASN A 50 25.533 6.071 -0.753 1.00 7.17 C ATOM 806 O ASN A 50 24.904 6.182 -1.802 1.00 7.27 O ATOM 807 CB ASN A 50 27.263 4.629 -1.833 1.00 7.34 C ATOM 808 CG ASN A 50 28.719 4.527 -2.237 1.00 7.66 C ATOM 809 OD1 ASN A 50 29.479 5.489 -2.124 1.00 8.30 O ATOM 810 ND2 ASN A 50 29.114 3.368 -2.740 1.00 7.49 N ATOM 0 H ASN A 50 27.409 4.234 0.682 1.00 7.73 H new ATOM 0 HA ASN A 50 27.590 6.589 -1.013 1.00 7.72 H new ATOM 0 HB2 ASN A 50 26.927 3.663 -1.457 1.00 7.34 H new ATOM 0 HB3 ASN A 50 26.662 4.854 -2.714 1.00 7.34 H new ATOM 0 HD21 ASN A 50 30.078 3.249 -3.050 1.00 7.49 H new ATOM 0 HD22 ASN A 50 28.454 2.594 -2.817 1.00 7.49 H new ATOM 817 N ALA A 51 24.975 6.256 0.429 1.00 6.83 N ATOM 818 CA ALA A 51 23.604 6.719 0.547 1.00 6.42 C ATOM 819 C ALA A 51 23.561 8.235 0.459 1.00 7.39 C ATOM 820 O ALA A 51 24.597 8.900 0.558 1.00 8.36 O ATOM 821 CB ALA A 51 22.984 6.252 1.855 1.00 5.86 C ATOM 0 H ALA A 51 25.448 6.094 1.318 1.00 6.83 H new ATOM 0 HA ALA A 51 23.025 6.295 -0.274 1.00 6.42 H new ATOM 0 HB1 ALA A 51 21.957 6.612 1.920 1.00 5.86 H new ATOM 0 HB2 ALA A 51 22.990 5.163 1.892 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.560 6.647 2.692 1.00 5.86 H new ATOM 827 N ASN A 52 22.369 8.774 0.264 1.00 7.23 N ATOM 828 CA ASN A 52 22.175 10.218 0.257 1.00 8.14 C ATOM 829 C ASN A 52 22.509 10.775 1.637 1.00 8.57 C ATOM 830 O ASN A 52 22.023 10.247 2.637 1.00 8.09 O ATOM 831 CB ASN A 52 20.724 10.548 -0.113 1.00 7.94 C ATOM 832 CG ASN A 52 20.437 12.038 -0.172 1.00 8.81 C ATOM 833 OD1 ASN A 52 21.276 12.835 -0.588 1.00 9.40 O ATOM 834 ND2 ASN A 52 19.246 12.427 0.257 1.00 9.07 N ATOM 0 H ASN A 52 21.518 8.234 0.108 1.00 7.23 H new ATOM 0 HA ASN A 52 22.833 10.673 -0.483 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.494 10.103 -1.081 1.00 7.94 H new ATOM 0 HB3 ASN A 52 20.058 10.086 0.616 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.999 13.417 0.249 1.00 9.07 H new ATOM 0 HD22 ASN A 52 18.575 11.737 0.595 1.00 9.07 H new ATOM 841 N PRO A 53 23.378 11.805 1.714 1.00 9.68 N ATOM 842 CA PRO A 53 23.827 12.396 2.980 1.00 10.41 C ATOM 843 C PRO A 53 22.734 12.470 4.044 1.00 10.13 C ATOM 844 O PRO A 53 22.903 11.948 5.147 1.00 10.29 O ATOM 845 CB PRO A 53 24.260 13.794 2.553 1.00 11.56 C ATOM 846 CG PRO A 53 24.804 13.602 1.178 1.00 11.66 C ATOM 847 CD PRO A 53 24.022 12.467 0.560 1.00 10.51 C ATOM 0 HA PRO A 53 24.608 11.800 3.452 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.421 14.490 2.556 1.00 11.56 H new ATOM 0 HB3 PRO A 53 25.014 14.201 3.227 1.00 11.56 H new ATOM 0 HG2 PRO A 53 24.697 14.512 0.588 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.868 13.367 1.211 1.00 11.66 H new ATOM 0 HD2 PRO A 53 23.283 12.833 -0.153 1.00 10.51 H new ATOM 0 HD3 PRO A 53 24.674 11.781 0.019 1.00 10.51 H new ATOM 855 N ASP A 54 21.606 13.078 3.689 1.00 9.86 N ATOM 856 CA ASP A 54 20.489 13.262 4.618 1.00 9.76 C ATOM 857 C ASP A 54 19.977 11.919 5.128 1.00 8.93 C ATOM 858 O ASP A 54 19.710 11.742 6.318 1.00 9.26 O ATOM 859 CB ASP A 54 19.352 13.991 3.907 1.00 9.71 C ATOM 860 CG ASP A 54 18.340 14.590 4.864 1.00 9.98 C ATOM 861 OD1 ASP A 54 17.339 13.907 5.183 1.00 10.64 O ATOM 862 OD2 ASP A 54 18.539 15.734 5.315 1.00 9.67 O ATOM 0 H ASP A 54 21.438 13.456 2.757 1.00 9.86 H new ATOM 0 HA ASP A 54 20.841 13.848 5.467 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.769 14.783 3.285 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.844 13.296 3.239 1.00 9.71 H new ATOM 867 N CYS A 55 19.885 10.976 4.209 1.00 8.04 N ATOM 868 CA CYS A 55 19.316 9.661 4.476 1.00 7.30 C ATOM 869 C CYS A 55 20.173 8.859 5.451 1.00 7.57 C ATOM 870 O CYS A 55 19.658 8.248 6.380 1.00 7.74 O ATOM 871 CB CYS A 55 19.152 8.891 3.167 1.00 6.46 C ATOM 872 SG CYS A 55 18.132 9.739 1.939 1.00 6.30 S ATOM 0 H CYS A 55 20.204 11.098 3.248 1.00 8.04 H new ATOM 0 HA CYS A 55 18.340 9.808 4.939 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.138 8.706 2.740 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.710 7.918 3.382 1.00 6.46 H new ATOM 0 HG CYS A 55 17.091 9.012 1.663 1.00 6.30 H new ATOM 878 N LYS A 56 21.484 8.862 5.251 1.00 7.87 N ATOM 879 CA LYS A 56 22.365 8.119 6.144 1.00 8.36 C ATOM 880 C LYS A 56 22.522 8.854 7.466 1.00 9.50 C ATOM 881 O LYS A 56 22.844 8.259 8.494 1.00 10.04 O ATOM 882 CB LYS A 56 23.723 7.850 5.492 1.00 8.58 C ATOM 883 CG LYS A 56 24.569 9.081 5.218 1.00 8.84 C ATOM 884 CD LYS A 56 25.057 9.092 3.779 1.00 8.68 C ATOM 885 CE LYS A 56 26.382 9.819 3.628 1.00 9.50 C ATOM 886 NZ LYS A 56 27.508 9.043 4.215 1.00 9.81 N ATOM 0 H LYS A 56 21.954 9.359 4.495 1.00 7.87 H new ATOM 0 HA LYS A 56 21.907 7.150 6.345 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.289 7.177 6.136 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.558 7.327 4.550 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.985 9.980 5.415 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.422 9.100 5.896 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.165 8.066 3.426 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.308 9.570 3.147 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.578 10.001 2.571 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.320 10.793 4.113 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 28.384 9.255 3.696 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.626 9.305 5.215 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 27.302 8.026 4.145 1.00 9.81 H new ATOM 900 N THR A 57 22.288 10.154 7.424 1.00 9.98 N ATOM 901 CA THR A 57 22.327 10.987 8.614 1.00 11.08 C ATOM 902 C THR A 57 21.210 10.615 9.597 1.00 11.16 C ATOM 903 O THR A 57 21.439 10.538 10.801 1.00 12.08 O ATOM 904 CB THR A 57 22.225 12.477 8.231 1.00 11.53 C ATOM 905 OG1 THR A 57 23.391 12.870 7.500 1.00 12.00 O ATOM 906 CG2 THR A 57 22.074 13.361 9.450 1.00 12.46 C ATOM 0 H THR A 57 22.066 10.661 6.567 1.00 9.98 H new ATOM 0 HA THR A 57 23.282 10.812 9.110 1.00 11.08 H new ATOM 0 HB THR A 57 21.336 12.600 7.613 1.00 11.53 H new ATOM 0 HG1 THR A 57 23.329 12.536 6.581 1.00 12.00 H new ATOM 0 HG21 THR A 57 22.005 14.403 9.138 1.00 12.46 H new ATOM 0 HG22 THR A 57 21.169 13.084 9.990 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.939 13.234 10.101 1.00 12.46 H new ATOM 914 N ILE A 58 20.009 10.364 9.089 1.00 10.34 N ATOM 915 CA ILE A 58 18.885 10.016 9.956 1.00 10.60 C ATOM 916 C ILE A 58 18.999 8.582 10.470 1.00 10.65 C ATOM 917 O ILE A 58 18.482 8.257 11.537 1.00 11.46 O ATOM 918 CB ILE A 58 17.528 10.179 9.245 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.490 9.311 7.992 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.278 11.641 8.899 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.106 9.070 7.454 1.00 8.44 C ATOM 0 H ILE A 58 19.788 10.394 8.094 1.00 10.34 H new ATOM 0 HA ILE A 58 18.928 10.711 10.795 1.00 10.60 H new ATOM 0 HB ILE A 58 16.735 9.853 9.918 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.092 9.784 7.217 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.954 8.350 8.214 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.315 11.737 8.397 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.272 12.235 9.813 1.00 10.22 H new ATOM 0 HG23 ILE A 58 18.068 11.999 8.239 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.166 8.445 6.563 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.504 8.567 8.211 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.644 10.023 7.198 1.00 8.44 H new ATOM 933 N LEU A 59 19.666 7.726 9.697 1.00 9.90 N ATOM 934 CA LEU A 59 19.884 6.328 10.085 1.00 9.98 C ATOM 935 C LEU A 59 20.500 6.211 11.478 1.00 11.20 C ATOM 936 O LEU A 59 20.072 5.387 12.289 1.00 11.84 O ATOM 937 CB LEU A 59 20.787 5.615 9.076 1.00 9.07 C ATOM 938 CG LEU A 59 20.233 5.502 7.655 1.00 7.91 C ATOM 939 CD1 LEU A 59 21.171 4.678 6.786 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.841 4.893 7.669 1.00 7.92 C ATOM 0 H LEU A 59 20.068 7.975 8.793 1.00 9.90 H new ATOM 0 HA LEU A 59 18.904 5.852 10.099 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.740 6.142 9.034 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.993 4.611 9.447 1.00 9.07 H new ATOM 0 HG LEU A 59 20.161 6.504 7.232 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.764 4.606 5.778 1.00 7.28 H new ATOM 0 HD12 LEU A 59 22.149 5.158 6.749 1.00 7.28 H new ATOM 0 HD13 LEU A 59 21.274 3.678 7.208 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.465 4.821 6.648 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.884 3.897 8.111 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.174 5.523 8.258 1.00 7.92 H new ATOM 952 N LYS A 60 21.498 7.037 11.759 1.00 11.67 N ATOM 953 CA LYS A 60 22.181 6.990 13.048 1.00 12.90 C ATOM 954 C LYS A 60 21.302 7.584 14.144 1.00 13.86 C ATOM 955 O LYS A 60 21.470 7.285 15.324 1.00 14.91 O ATOM 956 CB LYS A 60 23.527 7.718 12.962 1.00 13.23 C ATOM 957 CG LYS A 60 23.409 9.193 12.611 1.00 13.20 C ATOM 958 CD LYS A 60 24.671 9.715 11.938 1.00 13.44 C ATOM 959 CE LYS A 60 25.891 9.607 12.842 1.00 14.35 C ATOM 960 NZ LYS A 60 25.808 10.519 14.012 1.00 14.91 N ATOM 0 H LYS A 60 21.853 7.745 11.116 1.00 11.67 H new ATOM 0 HA LYS A 60 22.374 5.948 13.304 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.042 7.622 13.918 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.148 7.225 12.214 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.556 9.342 11.950 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.215 9.768 13.516 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.850 9.154 11.020 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.524 10.756 11.652 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.992 8.579 13.191 1.00 14.35 H new ATOM 0 HE3 LYS A 60 26.788 9.838 12.267 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 26.696 10.473 14.552 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 25.653 11.493 13.682 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 25.017 10.230 14.622 1.00 14.91 H new ATOM 974 N ALA A 61 20.336 8.400 13.739 1.00 13.54 N ATOM 975 CA ALA A 61 19.404 9.010 14.675 1.00 14.41 C ATOM 976 C ALA A 61 18.318 8.017 15.085 1.00 14.65 C ATOM 977 O ALA A 61 17.561 8.263 16.024 1.00 15.64 O ATOM 978 CB ALA A 61 18.781 10.260 14.069 1.00 14.06 C ATOM 0 H ALA A 61 20.179 8.654 12.764 1.00 13.54 H new ATOM 0 HA ALA A 61 19.958 9.297 15.569 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.087 10.703 14.783 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.565 10.979 13.831 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.244 9.994 13.158 1.00 14.06 H new ATOM 984 N LEU A 62 18.232 6.901 14.362 1.00 13.84 N ATOM 985 CA LEU A 62 17.292 5.841 14.705 1.00 14.21 C ATOM 986 C LEU A 62 17.763 5.089 15.944 1.00 14.97 C ATOM 987 O LEU A 62 16.956 4.531 16.686 1.00 15.72 O ATOM 988 CB LEU A 62 17.144 4.868 13.536 1.00 13.37 C ATOM 989 CG LEU A 62 16.657 5.493 12.230 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.805 4.503 11.090 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.209 5.948 12.358 1.00 12.25 C ATOM 0 H LEU A 62 18.801 6.710 13.538 1.00 13.84 H new ATOM 0 HA LEU A 62 16.324 6.296 14.916 1.00 14.21 H new ATOM 0 HB2 LEU A 62 18.108 4.392 13.356 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.448 4.080 13.825 1.00 13.37 H new ATOM 0 HG LEU A 62 17.270 6.368 12.015 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.455 4.959 10.164 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.854 4.225 10.984 1.00 11.39 H new ATOM 0 HD13 LEU A 62 16.213 3.613 11.302 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.882 6.390 11.417 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.578 5.091 12.595 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.129 6.689 13.154 1.00 12.25 H new ATOM 1055 N LEU A 68 18.283 -3.389 9.356 1.00 12.22 N ATOM 1056 CA LEU A 68 18.124 -3.906 8.003 1.00 11.25 C ATOM 1057 C LEU A 68 16.957 -3.227 7.296 1.00 11.10 C ATOM 1058 O LEU A 68 17.155 -2.501 6.321 1.00 10.12 O ATOM 1059 CB LEU A 68 17.935 -5.435 8.039 1.00 11.69 C ATOM 1060 CG LEU A 68 18.096 -6.182 6.702 1.00 10.84 C ATOM 1061 CD1 LEU A 68 16.878 -5.999 5.808 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.354 -5.721 5.979 1.00 9.79 C ATOM 0 HA LEU A 68 19.028 -3.683 7.437 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.650 -5.850 8.749 1.00 11.69 H new ATOM 0 HB3 LEU A 68 16.939 -5.646 8.429 1.00 11.69 H new ATOM 0 HG LEU A 68 18.188 -7.244 6.929 1.00 10.84 H new ATOM 0 HD11 LEU A 68 17.028 -6.540 4.874 1.00 10.70 H new ATOM 0 HD12 LEU A 68 15.994 -6.386 6.314 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.739 -4.939 5.595 1.00 10.70 H new ATOM 0 HD21 LEU A 68 19.450 -6.260 5.037 1.00 9.79 H new ATOM 0 HD22 LEU A 68 19.288 -4.651 5.780 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.226 -5.921 6.602 1.00 9.79 H new ATOM 1074 N GLU A 69 15.745 -3.428 7.794 1.00 12.16 N ATOM 1075 CA GLU A 69 14.574 -2.864 7.135 1.00 12.26 C ATOM 1076 C GLU A 69 14.518 -1.372 7.385 1.00 11.96 C ATOM 1077 O GLU A 69 13.959 -0.613 6.593 1.00 11.57 O ATOM 1078 CB GLU A 69 13.286 -3.535 7.622 1.00 13.61 C ATOM 1079 CG GLU A 69 12.944 -3.237 9.073 1.00 14.60 C ATOM 1080 CD GLU A 69 11.586 -3.767 9.470 1.00 15.86 C ATOM 1081 OE1 GLU A 69 11.525 -4.855 10.079 1.00 16.53 O ATOM 1082 OE2 GLU A 69 10.571 -3.105 9.174 1.00 16.24 O ATOM 0 H GLU A 69 15.547 -3.967 8.637 1.00 12.16 H new ATOM 0 HA GLU A 69 14.659 -3.048 6.064 1.00 12.26 H new ATOM 0 HB2 GLU A 69 12.459 -3.211 6.991 1.00 13.61 H new ATOM 0 HB3 GLU A 69 13.380 -4.614 7.496 1.00 13.61 H new ATOM 0 HG2 GLU A 69 13.704 -3.676 9.719 1.00 14.60 H new ATOM 0 HG3 GLU A 69 12.971 -2.159 9.235 1.00 14.60 H new ATOM 1089 N GLU A 70 15.129 -0.963 8.482 1.00 12.26 N ATOM 1090 CA GLU A 70 15.185 0.433 8.854 1.00 12.19 C ATOM 1091 C GLU A 70 15.983 1.211 7.821 1.00 10.92 C ATOM 1092 O GLU A 70 15.491 2.162 7.238 1.00 10.57 O ATOM 1093 CB GLU A 70 15.833 0.579 10.229 1.00 13.06 C ATOM 1094 CG GLU A 70 15.365 -0.464 11.228 1.00 14.21 C ATOM 1095 CD GLU A 70 15.946 -0.245 12.606 1.00 15.02 C ATOM 1096 OE1 GLU A 70 15.238 0.323 13.463 1.00 15.56 O ATOM 1097 OE2 GLU A 70 17.107 -0.633 12.831 1.00 15.23 O ATOM 0 H GLU A 70 15.598 -1.589 9.136 1.00 12.26 H new ATOM 0 HA GLU A 70 14.171 0.831 8.895 1.00 12.19 H new ATOM 0 HB2 GLU A 70 16.915 0.509 10.122 1.00 13.06 H new ATOM 0 HB3 GLU A 70 15.615 1.572 10.622 1.00 13.06 H new ATOM 0 HG2 GLU A 70 14.277 -0.443 11.288 1.00 14.21 H new ATOM 0 HG3 GLU A 70 15.645 -1.455 10.872 1.00 14.21 H new ATOM 1104 N MET A 71 17.200 0.753 7.564 1.00 10.30 N ATOM 1105 CA MET A 71 18.108 1.436 6.641 1.00 9.14 C ATOM 1106 C MET A 71 17.534 1.441 5.233 1.00 8.31 C ATOM 1107 O MET A 71 17.767 2.367 4.460 1.00 7.58 O ATOM 1108 CB MET A 71 19.501 0.780 6.641 1.00 8.85 C ATOM 1109 CG MET A 71 19.522 -0.644 6.106 1.00 8.69 C ATOM 1110 SD MET A 71 21.146 -1.424 6.235 1.00 8.41 S ATOM 1111 CE MET A 71 22.124 -0.364 5.172 1.00 8.50 C ATOM 0 H MET A 71 17.587 -0.093 7.982 1.00 10.30 H new ATOM 0 HA MET A 71 18.216 2.465 6.983 1.00 9.14 H new ATOM 0 HB2 MET A 71 20.177 1.391 6.043 1.00 8.85 H new ATOM 0 HB3 MET A 71 19.889 0.779 7.659 1.00 8.85 H new ATOM 0 HG2 MET A 71 18.793 -1.242 6.653 1.00 8.69 H new ATOM 0 HG3 MET A 71 19.210 -0.638 5.062 1.00 8.69 H new ATOM 0 HE1 MET A 71 23.067 -0.856 4.936 1.00 8.50 H new ATOM 0 HE2 MET A 71 21.576 -0.168 4.250 1.00 8.50 H new ATOM 0 HE3 MET A 71 22.324 0.578 5.682 1.00 8.50 H new ATOM 1121 N MET A 72 16.768 0.410 4.921 1.00 8.67 N ATOM 1122 CA MET A 72 16.159 0.285 3.610 1.00 8.32 C ATOM 1123 C MET A 72 15.003 1.265 3.466 1.00 8.63 C ATOM 1124 O MET A 72 14.909 2.003 2.486 1.00 8.10 O ATOM 1125 CB MET A 72 15.656 -1.143 3.391 1.00 9.08 C ATOM 1126 CG MET A 72 15.082 -1.383 2.004 1.00 9.10 C ATOM 1127 SD MET A 72 14.303 -3.002 1.845 1.00 10.28 S ATOM 1128 CE MET A 72 12.885 -2.803 2.923 1.00 11.15 C ATOM 0 H MET A 72 16.553 -0.355 5.561 1.00 8.67 H new ATOM 0 HA MET A 72 16.914 0.515 2.858 1.00 8.32 H new ATOM 0 HB2 MET A 72 16.478 -1.838 3.559 1.00 9.08 H new ATOM 0 HB3 MET A 72 14.891 -1.367 4.135 1.00 9.08 H new ATOM 0 HG2 MET A 72 14.349 -0.608 1.779 1.00 9.10 H new ATOM 0 HG3 MET A 72 15.878 -1.293 1.265 1.00 9.10 H new ATOM 0 HE1 MET A 72 12.123 -3.536 2.660 1.00 11.15 H new ATOM 0 HE2 MET A 72 13.191 -2.953 3.958 1.00 11.15 H new ATOM 0 HE3 MET A 72 12.478 -1.799 2.807 1.00 11.15 H new ATOM 1138 N THR A 73 14.145 1.271 4.467 1.00 9.62 N ATOM 1139 CA THR A 73 12.921 2.053 4.441 1.00 10.09 C ATOM 1140 C THR A 73 13.176 3.532 4.745 1.00 9.53 C ATOM 1141 O THR A 73 12.574 4.416 4.136 1.00 9.49 O ATOM 1142 CB THR A 73 11.923 1.480 5.463 1.00 11.37 C ATOM 1143 OG1 THR A 73 11.674 0.097 5.171 1.00 12.02 O ATOM 1144 CG2 THR A 73 10.610 2.245 5.448 1.00 11.93 C ATOM 0 H THR A 73 14.276 0.733 5.324 1.00 9.62 H new ATOM 0 HA THR A 73 12.509 1.990 3.434 1.00 10.09 H new ATOM 0 HB THR A 73 12.363 1.579 6.455 1.00 11.37 H new ATOM 0 HG1 THR A 73 12.376 -0.454 5.575 1.00 12.02 H new ATOM 0 HG21 THR A 73 9.929 1.813 6.182 1.00 11.93 H new ATOM 0 HG22 THR A 73 10.795 3.290 5.696 1.00 11.93 H new ATOM 0 HG23 THR A 73 10.163 2.181 4.456 1.00 11.93 H new ATOM 1152 N ALA A 74 14.087 3.790 5.672 1.00 9.27 N ATOM 1153 CA ALA A 74 14.339 5.140 6.163 1.00 9.02 C ATOM 1154 C ALA A 74 14.932 6.046 5.087 1.00 8.01 C ATOM 1155 O ALA A 74 14.596 7.225 5.015 1.00 8.00 O ATOM 1156 CB ALA A 74 15.262 5.082 7.372 1.00 9.32 C ATOM 0 H ALA A 74 14.671 3.074 6.104 1.00 9.27 H new ATOM 0 HA ALA A 74 13.381 5.572 6.451 1.00 9.02 H new ATOM 0 HB1 ALA A 74 15.448 6.092 7.736 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.793 4.493 8.160 1.00 9.32 H new ATOM 0 HB3 ALA A 74 16.207 4.619 7.087 1.00 9.32 H new ATOM 1162 N CYS A 75 15.800 5.496 4.250 1.00 7.31 N ATOM 1163 CA CYS A 75 16.504 6.293 3.256 1.00 6.51 C ATOM 1164 C CYS A 75 15.612 6.640 2.067 1.00 6.63 C ATOM 1165 O CYS A 75 15.756 7.706 1.472 1.00 6.46 O ATOM 1166 CB CYS A 75 17.749 5.557 2.775 1.00 5.86 C ATOM 1167 SG CYS A 75 18.900 5.125 4.095 1.00 6.16 S ATOM 0 H CYS A 75 16.033 4.503 4.239 1.00 7.31 H new ATOM 0 HA CYS A 75 16.796 7.227 3.735 1.00 6.51 H new ATOM 0 HB2 CYS A 75 17.444 4.646 2.260 1.00 5.86 H new ATOM 0 HB3 CYS A 75 18.267 6.178 2.044 1.00 5.86 H new ATOM 0 HG CYS A 75 18.687 3.900 4.473 1.00 6.16 H new ATOM 1173 N GLN A 76 14.691 5.747 1.719 1.00 7.27 N ATOM 1174 CA GLN A 76 13.792 6.008 0.603 1.00 7.76 C ATOM 1175 C GLN A 76 12.574 6.787 1.075 1.00 8.19 C ATOM 1176 O GLN A 76 11.798 6.317 1.905 1.00 8.73 O ATOM 1177 CB GLN A 76 13.383 4.712 -0.104 1.00 8.60 C ATOM 1178 CG GLN A 76 12.820 3.635 0.804 1.00 9.19 C ATOM 1179 CD GLN A 76 12.625 2.327 0.065 1.00 10.10 C ATOM 1180 OE1 GLN A 76 13.352 2.030 -0.888 1.00 10.49 O ATOM 1181 NE2 GLN A 76 11.652 1.539 0.490 1.00 10.66 N ATOM 0 H GLN A 76 14.549 4.851 2.185 1.00 7.27 H new ATOM 0 HA GLN A 76 14.327 6.616 -0.126 1.00 7.76 H new ATOM 0 HB2 GLN A 76 12.639 4.950 -0.864 1.00 8.60 H new ATOM 0 HB3 GLN A 76 14.253 4.310 -0.624 1.00 8.60 H new ATOM 0 HG2 GLN A 76 13.494 3.480 1.647 1.00 9.19 H new ATOM 0 HG3 GLN A 76 11.867 3.967 1.215 1.00 9.19 H new ATOM 0 HE21 GLN A 76 11.075 1.823 1.281 1.00 10.66 H new ATOM 0 HE22 GLN A 76 11.479 0.647 0.026 1.00 10.66 H new ATOM 1190 N GLY A 77 12.434 7.997 0.563 1.00 8.13 N ATOM 1191 CA GLY A 77 11.382 8.878 1.022 1.00 8.58 C ATOM 1192 C GLY A 77 11.819 9.661 2.243 1.00 8.30 C ATOM 1193 O GLY A 77 11.183 10.646 2.617 1.00 8.85 O ATOM 0 H GLY A 77 13.032 8.387 -0.165 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.107 9.567 0.224 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.493 8.294 1.260 1.00 8.58 H new ATOM 1197 N VAL A 78 12.937 9.227 2.830 1.00 7.65 N ATOM 1198 CA VAL A 78 13.489 9.811 4.044 1.00 7.69 C ATOM 1199 C VAL A 78 12.461 9.824 5.174 1.00 8.18 C ATOM 1200 O VAL A 78 11.642 10.736 5.292 1.00 8.24 O ATOM 1201 CB VAL A 78 14.040 11.222 3.793 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.649 11.795 5.061 1.00 7.56 C ATOM 1203 CG2 VAL A 78 15.067 11.193 2.672 1.00 7.23 C ATOM 0 H VAL A 78 13.488 8.449 2.467 1.00 7.65 H new ATOM 0 HA VAL A 78 14.321 9.179 4.353 1.00 7.69 H new ATOM 0 HB VAL A 78 13.214 11.867 3.493 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.033 12.795 4.860 1.00 7.56 H new ATOM 0 HG12 VAL A 78 13.887 11.848 5.839 1.00 7.56 H new ATOM 0 HG13 VAL A 78 15.464 11.153 5.395 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.450 12.199 2.504 1.00 7.23 H new ATOM 0 HG22 VAL A 78 15.889 10.533 2.949 1.00 7.23 H new ATOM 0 HG23 VAL A 78 14.599 10.826 1.759 1.00 7.23 H new