USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=15 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 12 GLN : amide:sc= 2.03 K(o=-0.37,f=-4.3!) USER MOD Set 1.2: A 55 CYS SG : rot -167:sc= -1.22 USER MOD Set 1.3: A 75 CYS SG : rot -120:sc= -1.18 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.0536 K(o=1.1,f=-11!) USER MOD Set 2.2: A 56 LYS NZ :NH3+ -161:sc= 1.08 (180deg=-0.746) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 1.29 (180deg=0.783) 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 -35:sc= 1.23 USER MOD Single : A 33 GLN : amide:sc= 0.673 K(o=0.67,f=-0.0024) USER MOD Single : A 35 SER OG : rot 170:sc=-0.00173 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0335) USER MOD Single : A 40 ASN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 43 THR OG1 : rot -24:sc= 1.01 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.26! C(o=-5.3!,f=-2.6!) USER MOD Single : A 52 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.2) USER MOD Single : A 57 THR OG1 : rot 58:sc= 1.12 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 165:sc= -0.0662 (180deg=-0.461) USER MOD Single : A 72 MET CE :methyl 148:sc= -0.0709 (180deg=-0.638) USER MOD Single : A 73 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 76 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 29.535 2.983 -8.963 1.00 10.57 N ATOM 130 CA ASP A 9 29.414 4.032 -7.955 1.00 10.51 C ATOM 131 C ASP A 9 28.166 3.852 -7.090 1.00 9.48 C ATOM 132 O ASP A 9 28.225 3.954 -5.863 1.00 9.50 O ATOM 133 CB ASP A 9 29.376 5.395 -8.650 1.00 11.48 C ATOM 134 CG ASP A 9 28.838 6.501 -7.767 1.00 12.16 C ATOM 135 OD1 ASP A 9 27.611 6.735 -7.779 1.00 12.46 O ATOM 136 OD2 ASP A 9 29.639 7.122 -7.035 1.00 12.54 O ATOM 0 HA ASP A 9 30.279 3.970 -7.295 1.00 10.51 H new ATOM 0 HB2 ASP A 9 30.382 5.657 -8.977 1.00 11.48 H new ATOM 0 HB3 ASP A 9 28.759 5.322 -9.546 1.00 11.48 H new ATOM 141 N ILE A 10 27.060 3.534 -7.779 1.00 8.74 N ATOM 142 CA ILE A 10 25.719 3.306 -7.212 1.00 7.86 C ATOM 143 C ILE A 10 25.359 4.142 -5.983 1.00 7.43 C ATOM 144 O ILE A 10 24.553 3.687 -5.174 1.00 6.73 O ATOM 145 CB ILE A 10 25.454 1.818 -6.857 1.00 7.25 C ATOM 146 CG1 ILE A 10 26.576 1.234 -5.985 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.241 0.984 -8.114 1.00 7.55 C ATOM 148 CD1 ILE A 10 27.735 0.640 -6.762 1.00 7.84 C ATOM 0 H ILE A 10 27.075 3.423 -8.793 1.00 8.74 H new ATOM 0 HA ILE A 10 25.080 3.632 -8.033 1.00 7.86 H new ATOM 0 HB ILE A 10 24.536 1.781 -6.271 1.00 7.25 H new ATOM 0 HG12 ILE A 10 26.958 2.020 -5.333 1.00 7.42 H new ATOM 0 HG13 ILE A 10 26.154 0.462 -5.341 1.00 7.42 H new ATOM 0 HG21 ILE A 10 25.058 -0.054 -7.835 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.383 1.369 -8.665 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.130 1.039 -8.742 1.00 7.55 H new ATOM 0 HD11 ILE A 10 28.479 0.252 -6.066 1.00 7.84 H new ATOM 0 HD12 ILE A 10 27.372 -0.171 -7.394 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.188 1.411 -7.385 1.00 7.84 H new ATOM 160 N ARG A 11 25.905 5.345 -5.831 1.00 8.07 N ATOM 161 CA ARG A 11 25.585 6.149 -4.657 1.00 7.96 C ATOM 162 C ARG A 11 24.158 6.682 -4.751 1.00 7.79 C ATOM 163 O ARG A 11 23.727 7.188 -5.794 1.00 8.29 O ATOM 164 CB ARG A 11 26.620 7.274 -4.431 1.00 9.08 C ATOM 165 CG ARG A 11 26.623 8.395 -5.464 1.00 9.98 C ATOM 166 CD ARG A 11 25.588 9.462 -5.148 1.00 10.66 C ATOM 167 NE ARG A 11 25.549 10.507 -6.166 1.00 11.50 N ATOM 168 CZ ARG A 11 24.480 10.783 -6.914 1.00 12.34 C ATOM 169 NH1 ARG A 11 23.373 10.054 -6.802 1.00 12.46 N ATOM 170 NH2 ARG A 11 24.522 11.781 -7.786 1.00 13.19 N ATOM 0 H ARG A 11 26.555 5.776 -6.488 1.00 8.07 H new ATOM 0 HA ARG A 11 25.641 5.507 -3.778 1.00 7.96 H new ATOM 0 HB2 ARG A 11 26.443 7.712 -3.449 1.00 9.08 H new ATOM 0 HB3 ARG A 11 27.614 6.827 -4.406 1.00 9.08 H new ATOM 0 HG2 ARG A 11 27.613 8.850 -5.503 1.00 9.98 H new ATOM 0 HG3 ARG A 11 26.425 7.979 -6.452 1.00 9.98 H new ATOM 0 HD2 ARG A 11 24.604 8.999 -5.066 1.00 10.66 H new ATOM 0 HD3 ARG A 11 25.812 9.908 -4.179 1.00 10.66 H new ATOM 0 HE ARG A 11 26.392 11.061 -6.315 1.00 11.50 H new ATOM 0 HH11 ARG A 11 23.338 9.278 -6.141 1.00 12.46 H new ATOM 0 HH12 ARG A 11 22.559 10.271 -7.377 1.00 12.46 H new ATOM 0 HH21 ARG A 11 25.372 12.337 -7.884 1.00 13.19 H new ATOM 0 HH22 ARG A 11 23.705 11.993 -8.359 1.00 13.19 H new ATOM 184 N GLN A 12 23.432 6.533 -3.654 1.00 7.29 N ATOM 185 CA GLN A 12 22.026 6.901 -3.577 1.00 7.16 C ATOM 186 C GLN A 12 21.824 8.398 -3.768 1.00 7.82 C ATOM 187 O GLN A 12 22.483 9.214 -3.123 1.00 8.10 O ATOM 188 CB GLN A 12 21.462 6.471 -2.222 1.00 6.33 C ATOM 189 CG GLN A 12 20.070 7.013 -1.925 1.00 6.44 C ATOM 190 CD GLN A 12 19.631 6.735 -0.501 1.00 6.33 C ATOM 191 OE1 GLN A 12 20.455 6.612 0.403 1.00 6.37 O ATOM 192 NE2 GLN A 12 18.330 6.663 -0.282 1.00 6.60 N ATOM 0 H GLN A 12 23.805 6.150 -2.785 1.00 7.29 H new ATOM 0 HA GLN A 12 21.498 6.390 -4.382 1.00 7.16 H new ATOM 0 HB2 GLN A 12 21.432 5.382 -2.183 1.00 6.33 H new ATOM 0 HB3 GLN A 12 22.143 6.800 -1.437 1.00 6.33 H new ATOM 0 HG2 GLN A 12 20.057 8.088 -2.103 1.00 6.44 H new ATOM 0 HG3 GLN A 12 19.355 6.567 -2.616 1.00 6.44 H new ATOM 0 HE21 GLN A 12 17.676 6.770 -1.057 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.980 6.501 0.662 1.00 6.60 H new ATOM 201 N GLY A 13 20.920 8.751 -4.672 1.00 8.30 N ATOM 202 CA GLY A 13 20.524 10.133 -4.819 1.00 9.01 C ATOM 203 C GLY A 13 19.450 10.490 -3.814 1.00 8.63 C ATOM 204 O GLY A 13 18.711 9.611 -3.379 1.00 7.84 O ATOM 0 H GLY A 13 20.454 8.102 -5.306 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.389 10.781 -4.680 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.155 10.306 -5.830 1.00 9.01 H new ATOM 208 N PRO A 14 19.327 11.770 -3.432 1.00 9.33 N ATOM 209 CA PRO A 14 18.388 12.202 -2.382 1.00 9.17 C ATOM 210 C PRO A 14 16.933 11.819 -2.665 1.00 8.90 C ATOM 211 O PRO A 14 16.122 11.720 -1.747 1.00 8.50 O ATOM 212 CB PRO A 14 18.536 13.725 -2.368 1.00 10.25 C ATOM 213 CG PRO A 14 19.879 13.985 -2.957 1.00 10.91 C ATOM 214 CD PRO A 14 20.099 12.900 -3.975 1.00 10.46 C ATOM 0 HA PRO A 14 18.619 11.719 -1.433 1.00 9.17 H new ATOM 0 HB2 PRO A 14 17.749 14.204 -2.951 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.466 14.119 -1.354 1.00 10.25 H new ATOM 0 HG2 PRO A 14 19.918 14.970 -3.422 1.00 10.91 H new ATOM 0 HG3 PRO A 14 20.653 13.964 -2.190 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.742 13.195 -4.962 1.00 10.46 H new ATOM 0 HD3 PRO A 14 21.156 12.653 -4.079 1.00 10.46 H new ATOM 222 N LYS A 15 16.602 11.603 -3.932 1.00 9.36 N ATOM 223 CA LYS A 15 15.235 11.266 -4.313 1.00 9.53 C ATOM 224 C LYS A 15 15.034 9.752 -4.338 1.00 9.20 C ATOM 225 O LYS A 15 13.904 9.266 -4.399 1.00 9.66 O ATOM 226 CB LYS A 15 14.921 11.833 -5.698 1.00 10.67 C ATOM 227 CG LYS A 15 15.510 11.005 -6.830 1.00 11.41 C ATOM 228 CD LYS A 15 15.194 11.600 -8.186 1.00 12.05 C ATOM 229 CE LYS A 15 15.314 10.561 -9.293 1.00 12.96 C ATOM 230 NZ LYS A 15 16.669 9.955 -9.361 1.00 13.55 N ATOM 0 H LYS A 15 17.258 11.655 -4.711 1.00 9.36 H new ATOM 0 HA LYS A 15 14.563 11.702 -3.573 1.00 9.53 H new ATOM 0 HB2 LYS A 15 13.840 11.892 -5.823 1.00 10.67 H new ATOM 0 HB3 LYS A 15 15.305 12.851 -5.763 1.00 10.67 H new ATOM 0 HG2 LYS A 15 16.591 10.937 -6.706 1.00 11.41 H new ATOM 0 HG3 LYS A 15 15.119 9.989 -6.779 1.00 11.41 H new ATOM 0 HD2 LYS A 15 14.184 12.010 -8.178 1.00 12.05 H new ATOM 0 HD3 LYS A 15 15.873 12.429 -8.388 1.00 12.05 H new ATOM 0 HE2 LYS A 15 14.576 9.775 -9.131 1.00 12.96 H new ATOM 0 HE3 LYS A 15 15.079 11.026 -10.250 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 16.857 9.634 -10.332 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 17.380 10.663 -9.086 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 16.719 9.144 -8.712 1.00 13.55 H new ATOM 244 N GLU A 16 16.134 9.018 -4.278 1.00 8.57 N ATOM 245 CA GLU A 16 16.106 7.585 -4.521 1.00 8.39 C ATOM 246 C GLU A 16 15.838 6.817 -3.237 1.00 7.72 C ATOM 247 O GLU A 16 16.460 7.079 -2.208 1.00 6.94 O ATOM 248 CB GLU A 16 17.440 7.124 -5.109 1.00 8.10 C ATOM 249 CG GLU A 16 17.296 6.059 -6.179 1.00 8.26 C ATOM 250 CD GLU A 16 16.753 6.627 -7.474 1.00 9.36 C ATOM 251 OE1 GLU A 16 17.204 7.711 -7.891 1.00 9.85 O ATOM 252 OE2 GLU A 16 15.873 5.985 -8.089 1.00 9.91 O ATOM 0 H GLU A 16 17.058 9.392 -4.063 1.00 8.57 H new ATOM 0 HA GLU A 16 15.301 7.384 -5.227 1.00 8.39 H new ATOM 0 HB2 GLU A 16 17.958 7.985 -5.532 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.068 6.738 -4.306 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.266 5.597 -6.364 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.632 5.273 -5.821 1.00 8.26 H new ATOM 259 N PRO A 17 14.890 5.871 -3.269 1.00 8.28 N ATOM 260 CA PRO A 17 14.677 4.955 -2.157 1.00 8.07 C ATOM 261 C PRO A 17 15.898 4.066 -1.933 1.00 7.31 C ATOM 262 O PRO A 17 16.401 3.449 -2.874 1.00 7.39 O ATOM 263 CB PRO A 17 13.458 4.125 -2.574 1.00 9.21 C ATOM 264 CG PRO A 17 13.321 4.317 -4.048 1.00 9.95 C ATOM 265 CD PRO A 17 13.949 5.642 -4.378 1.00 9.45 C ATOM 0 HA PRO A 17 14.517 5.479 -1.215 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.599 3.072 -2.328 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.561 4.457 -2.051 1.00 9.21 H new ATOM 0 HG2 PRO A 17 13.815 3.510 -4.590 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.272 4.303 -4.343 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.463 5.613 -5.339 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.203 6.434 -4.439 1.00 9.45 H new ATOM 273 N PHE A 18 16.366 4.029 -0.689 1.00 6.75 N ATOM 274 CA PHE A 18 17.620 3.361 -0.324 1.00 6.11 C ATOM 275 C PHE A 18 17.778 1.998 -0.992 1.00 6.56 C ATOM 276 O PHE A 18 18.694 1.795 -1.788 1.00 6.14 O ATOM 277 CB PHE A 18 17.690 3.205 1.197 1.00 6.14 C ATOM 278 CG PHE A 18 18.990 2.648 1.708 1.00 5.98 C ATOM 279 CD1 PHE A 18 19.058 1.358 2.209 1.00 6.36 C ATOM 280 CD2 PHE A 18 20.149 3.409 1.672 1.00 5.83 C ATOM 281 CE1 PHE A 18 20.253 0.838 2.667 1.00 6.55 C ATOM 282 CE2 PHE A 18 21.347 2.895 2.130 1.00 6.04 C ATOM 283 CZ PHE A 18 21.390 1.629 2.674 1.00 6.38 C ATOM 0 H PHE A 18 15.887 4.462 0.101 1.00 6.75 H new ATOM 0 HA PHE A 18 18.438 3.987 -0.680 1.00 6.11 H new ATOM 0 HB2 PHE A 18 17.520 4.178 1.657 1.00 6.14 H new ATOM 0 HB3 PHE A 18 16.878 2.554 1.520 1.00 6.14 H new ATOM 0 HD1 PHE A 18 18.165 0.751 2.242 1.00 6.36 H new ATOM 0 HD2 PHE A 18 20.115 4.415 1.281 1.00 5.83 H new ATOM 0 HE1 PHE A 18 20.301 -0.182 3.019 1.00 6.55 H new ATOM 0 HE2 PHE A 18 22.249 3.485 2.062 1.00 6.04 H new ATOM 0 HZ PHE A 18 22.307 1.255 3.104 1.00 6.38 H new ATOM 293 N ARG A 19 16.860 1.084 -0.700 1.00 7.57 N ATOM 294 CA ARG A 19 16.973 -0.295 -1.154 1.00 8.30 C ATOM 295 C ARG A 19 16.905 -0.404 -2.679 1.00 8.53 C ATOM 296 O ARG A 19 17.321 -1.409 -3.250 1.00 8.98 O ATOM 297 CB ARG A 19 15.865 -1.131 -0.515 1.00 9.53 C ATOM 298 CG ARG A 19 15.984 -2.623 -0.761 1.00 10.28 C ATOM 299 CD ARG A 19 17.228 -3.201 -0.108 1.00 11.35 C ATOM 300 NE ARG A 19 17.349 -4.640 -0.335 1.00 12.03 N ATOM 301 CZ ARG A 19 17.736 -5.514 0.592 1.00 13.02 C ATOM 302 NH1 ARG A 19 18.009 -5.107 1.827 1.00 13.43 N ATOM 303 NH2 ARG A 19 17.845 -6.800 0.282 1.00 13.72 N ATOM 0 H ARG A 19 16.024 1.276 -0.147 1.00 7.57 H new ATOM 0 HA ARG A 19 17.948 -0.673 -0.847 1.00 8.30 H new ATOM 0 HB2 ARG A 19 15.865 -0.951 0.560 1.00 9.53 H new ATOM 0 HB3 ARG A 19 14.903 -0.788 -0.895 1.00 9.53 H new ATOM 0 HG2 ARG A 19 15.100 -3.128 -0.371 1.00 10.28 H new ATOM 0 HG3 ARG A 19 16.013 -2.814 -1.834 1.00 10.28 H new ATOM 0 HD2 ARG A 19 18.111 -2.697 -0.501 1.00 11.35 H new ATOM 0 HD3 ARG A 19 17.199 -3.004 0.964 1.00 11.35 H new ATOM 0 HE ARG A 19 17.122 -4.998 -1.263 1.00 12.03 H new ATOM 0 HH11 ARG A 19 17.923 -4.120 2.070 1.00 13.43 H new ATOM 0 HH12 ARG A 19 18.305 -5.782 2.533 1.00 13.43 H new ATOM 0 HH21 ARG A 19 17.633 -7.116 -0.664 1.00 13.72 H new ATOM 0 HH22 ARG A 19 18.141 -7.472 0.990 1.00 13.72 H new ATOM 317 N ASP A 20 16.406 0.634 -3.338 1.00 8.44 N ATOM 318 CA ASP A 20 16.261 0.608 -4.787 1.00 9.01 C ATOM 319 C ASP A 20 17.604 0.854 -5.456 1.00 8.27 C ATOM 320 O ASP A 20 17.929 0.231 -6.464 1.00 8.68 O ATOM 321 CB ASP A 20 15.249 1.654 -5.253 1.00 9.59 C ATOM 322 CG ASP A 20 14.843 1.467 -6.703 1.00 10.55 C ATOM 323 OD1 ASP A 20 13.962 0.631 -6.985 1.00 11.24 O ATOM 324 OD2 ASP A 20 15.418 2.155 -7.573 1.00 10.78 O ATOM 0 H ASP A 20 16.097 1.499 -2.895 1.00 8.44 H new ATOM 0 HA ASP A 20 15.895 -0.378 -5.072 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.362 1.603 -4.622 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.675 2.649 -5.124 1.00 9.59 H new ATOM 329 N TYR A 21 18.396 1.757 -4.892 1.00 7.30 N ATOM 330 CA TYR A 21 19.726 2.003 -5.425 1.00 6.73 C ATOM 331 C TYR A 21 20.678 0.918 -4.938 1.00 6.19 C ATOM 332 O TYR A 21 21.600 0.515 -5.648 1.00 6.24 O ATOM 333 CB TYR A 21 20.249 3.394 -5.048 1.00 6.06 C ATOM 334 CG TYR A 21 20.960 4.077 -6.199 1.00 5.92 C ATOM 335 CD1 TYR A 21 20.758 5.422 -6.475 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.813 3.362 -7.031 1.00 6.13 C ATOM 337 CE1 TYR A 21 21.382 6.033 -7.548 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.444 3.967 -8.099 1.00 6.47 C ATOM 339 CZ TYR A 21 22.225 5.300 -8.355 1.00 6.60 C ATOM 340 OH TYR A 21 22.841 5.898 -9.430 1.00 7.29 O ATOM 0 H TYR A 21 18.145 2.321 -4.080 1.00 7.30 H new ATOM 0 HA TYR A 21 19.666 1.973 -6.513 1.00 6.73 H new ATOM 0 HB2 TYR A 21 19.416 4.015 -4.719 1.00 6.06 H new ATOM 0 HB3 TYR A 21 20.933 3.305 -4.204 1.00 6.06 H new ATOM 0 HD1 TYR A 21 20.103 6.001 -5.842 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.985 2.313 -6.838 1.00 6.13 H new ATOM 0 HE1 TYR A 21 21.209 7.079 -7.752 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.107 3.395 -8.731 1.00 6.47 H new ATOM 0 HH TYR A 21 23.402 5.241 -9.893 1.00 7.29 H new ATOM 350 N VAL A 22 20.426 0.424 -3.735 1.00 5.96 N ATOM 351 CA VAL A 22 21.189 -0.698 -3.193 1.00 5.81 C ATOM 352 C VAL A 22 20.933 -1.957 -4.022 1.00 6.77 C ATOM 353 O VAL A 22 21.782 -2.843 -4.108 1.00 6.77 O ATOM 354 CB VAL A 22 20.831 -0.962 -1.710 1.00 5.93 C ATOM 355 CG1 VAL A 22 21.569 -2.180 -1.168 1.00 6.61 C ATOM 356 CG2 VAL A 22 21.143 0.262 -0.864 1.00 5.41 C ATOM 0 H VAL A 22 19.700 0.780 -3.113 1.00 5.96 H new ATOM 0 HA VAL A 22 22.246 -0.438 -3.244 1.00 5.81 H new ATOM 0 HB VAL A 22 19.762 -1.167 -1.657 1.00 5.93 H new ATOM 0 HG11 VAL A 22 21.295 -2.337 -0.125 1.00 6.61 H new ATOM 0 HG12 VAL A 22 21.297 -3.060 -1.751 1.00 6.61 H new ATOM 0 HG13 VAL A 22 22.644 -2.016 -1.240 1.00 6.61 H new ATOM 0 HG21 VAL A 22 20.886 0.061 0.176 1.00 5.41 H new ATOM 0 HG22 VAL A 22 22.206 0.493 -0.937 1.00 5.41 H new ATOM 0 HG23 VAL A 22 20.561 1.111 -1.224 1.00 5.41 H new ATOM 366 N ASP A 23 19.769 -2.011 -4.660 1.00 7.71 N ATOM 367 CA ASP A 23 19.391 -3.149 -5.492 1.00 8.82 C ATOM 368 C ASP A 23 20.388 -3.375 -6.625 1.00 8.87 C ATOM 369 O ASP A 23 20.752 -4.512 -6.920 1.00 9.30 O ATOM 370 CB ASP A 23 17.987 -2.957 -6.070 1.00 9.88 C ATOM 371 CG ASP A 23 17.607 -4.059 -7.041 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.592 -3.805 -8.264 1.00 11.57 O ATOM 373 OD2 ASP A 23 17.321 -5.183 -6.585 1.00 11.68 O ATOM 0 H ASP A 23 19.065 -1.274 -4.616 1.00 7.71 H new ATOM 0 HA ASP A 23 19.397 -4.031 -4.851 1.00 8.82 H new ATOM 0 HB2 ASP A 23 17.263 -2.928 -5.256 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.935 -1.994 -6.578 1.00 9.88 H new ATOM 378 N ARG A 24 20.866 -2.296 -7.237 1.00 8.57 N ATOM 379 CA ARG A 24 21.786 -2.438 -8.355 1.00 8.91 C ATOM 380 C ARG A 24 23.207 -2.600 -7.846 1.00 8.10 C ATOM 381 O ARG A 24 24.077 -3.085 -8.560 1.00 8.53 O ATOM 382 CB ARG A 24 21.684 -1.293 -9.373 1.00 9.20 C ATOM 383 CG ARG A 24 21.781 0.102 -8.787 1.00 9.35 C ATOM 384 CD ARG A 24 20.405 0.709 -8.582 1.00 9.42 C ATOM 385 NE ARG A 24 19.662 0.838 -9.833 1.00 10.13 N ATOM 386 CZ ARG A 24 18.465 1.412 -9.930 1.00 10.62 C ATOM 387 NH1 ARG A 24 17.845 1.854 -8.844 1.00 10.53 N ATOM 388 NH2 ARG A 24 17.874 1.519 -11.113 1.00 11.36 N ATOM 0 H ARG A 24 20.637 -1.335 -6.984 1.00 8.57 H new ATOM 0 HA ARG A 24 21.496 -3.340 -8.895 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.475 -1.415 -10.113 1.00 9.20 H new ATOM 0 HB3 ARG A 24 20.735 -1.382 -9.902 1.00 9.20 H new ATOM 0 HG2 ARG A 24 22.310 0.063 -7.835 1.00 9.35 H new ATOM 0 HG3 ARG A 24 22.367 0.738 -9.451 1.00 9.35 H new ATOM 0 HD2 ARG A 24 19.837 0.090 -7.888 1.00 9.42 H new ATOM 0 HD3 ARG A 24 20.509 1.691 -8.121 1.00 9.42 H new ATOM 0 HE ARG A 24 20.086 0.466 -10.683 1.00 10.13 H new ATOM 0 HH11 ARG A 24 18.285 1.755 -7.929 1.00 10.53 H new ATOM 0 HH12 ARG A 24 16.928 2.293 -8.924 1.00 10.53 H new ATOM 0 HH21 ARG A 24 18.337 1.161 -11.949 1.00 11.36 H new ATOM 0 HH22 ARG A 24 16.957 1.959 -11.187 1.00 11.36 H new ATOM 402 N PHE A 25 23.449 -2.206 -6.604 1.00 7.02 N ATOM 403 CA PHE A 25 24.701 -2.543 -5.962 1.00 6.32 C ATOM 404 C PHE A 25 24.729 -4.037 -5.702 1.00 6.59 C ATOM 405 O PHE A 25 25.766 -4.691 -5.804 1.00 6.62 O ATOM 406 CB PHE A 25 24.865 -1.793 -4.644 1.00 5.33 C ATOM 407 CG PHE A 25 26.150 -2.149 -3.949 1.00 4.98 C ATOM 408 CD1 PHE A 25 27.364 -1.673 -4.414 1.00 4.85 C ATOM 409 CD2 PHE A 25 26.141 -2.994 -2.852 1.00 5.26 C ATOM 410 CE1 PHE A 25 28.546 -2.035 -3.797 1.00 4.99 C ATOM 411 CE2 PHE A 25 27.318 -3.354 -2.231 1.00 5.43 C ATOM 412 CZ PHE A 25 28.523 -2.877 -2.702 1.00 5.29 C ATOM 0 H PHE A 25 22.803 -1.661 -6.032 1.00 7.02 H new ATOM 0 HA PHE A 25 25.522 -2.254 -6.619 1.00 6.32 H new ATOM 0 HB2 PHE A 25 24.840 -0.720 -4.832 1.00 5.33 H new ATOM 0 HB3 PHE A 25 24.024 -2.022 -3.990 1.00 5.33 H new ATOM 0 HD1 PHE A 25 27.387 -1.012 -5.268 1.00 4.85 H new ATOM 0 HD2 PHE A 25 25.202 -3.375 -2.479 1.00 5.26 H new ATOM 0 HE1 PHE A 25 29.487 -1.660 -4.171 1.00 4.99 H new ATOM 0 HE2 PHE A 25 27.296 -4.011 -1.374 1.00 5.43 H new ATOM 0 HZ PHE A 25 29.445 -3.161 -2.217 1.00 5.29 H new ATOM 422 N TYR A 26 23.561 -4.578 -5.416 1.00 7.06 N ATOM 423 CA TYR A 26 23.430 -5.976 -5.057 1.00 7.60 C ATOM 424 C TYR A 26 23.619 -6.834 -6.296 1.00 8.54 C ATOM 425 O TYR A 26 24.078 -7.972 -6.221 1.00 8.87 O ATOM 426 CB TYR A 26 22.059 -6.229 -4.425 1.00 8.10 C ATOM 427 CG TYR A 26 21.866 -7.636 -3.904 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.160 -8.579 -4.638 1.00 9.57 C ATOM 429 CD2 TYR A 26 22.401 -8.022 -2.680 1.00 9.04 C ATOM 430 CE1 TYR A 26 20.989 -9.866 -4.168 1.00 10.37 C ATOM 431 CE2 TYR A 26 22.234 -9.306 -2.203 1.00 9.88 C ATOM 432 CZ TYR A 26 21.500 -10.217 -2.941 1.00 10.50 C ATOM 433 OH TYR A 26 21.362 -11.507 -2.479 1.00 11.44 O ATOM 0 H TYR A 26 22.680 -4.064 -5.426 1.00 7.06 H new ATOM 0 HA TYR A 26 24.195 -6.239 -4.326 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.915 -5.527 -3.604 1.00 8.10 H new ATOM 0 HB3 TYR A 26 21.286 -6.018 -5.164 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.737 -8.302 -5.592 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.956 -7.305 -2.093 1.00 9.04 H new ATOM 0 HE1 TYR A 26 20.456 -10.594 -4.762 1.00 10.37 H new ATOM 0 HE2 TYR A 26 22.673 -9.598 -1.260 1.00 9.88 H new ATOM 0 HH TYR A 26 21.781 -11.585 -1.596 1.00 11.44 H new ATOM 443 N LYS A 27 23.285 -6.263 -7.444 1.00 9.08 N ATOM 444 CA LYS A 27 23.412 -6.971 -8.699 1.00 10.12 C ATOM 445 C LYS A 27 24.875 -7.048 -9.114 1.00 10.01 C ATOM 446 O LYS A 27 25.273 -7.944 -9.858 1.00 10.69 O ATOM 447 CB LYS A 27 22.565 -6.287 -9.773 1.00 10.87 C ATOM 448 CG LYS A 27 23.274 -5.159 -10.501 1.00 11.19 C ATOM 449 CD LYS A 27 22.345 -4.427 -11.453 1.00 12.15 C ATOM 450 CE LYS A 27 21.850 -5.331 -12.568 1.00 12.87 C ATOM 451 NZ LYS A 27 21.046 -4.581 -13.566 1.00 13.47 N ATOM 0 H LYS A 27 22.925 -5.312 -7.527 1.00 9.08 H new ATOM 0 HA LYS A 27 23.045 -7.990 -8.576 1.00 10.12 H new ATOM 0 HB2 LYS A 27 22.251 -7.034 -10.502 1.00 10.87 H new ATOM 0 HB3 LYS A 27 21.660 -5.893 -9.310 1.00 10.87 H new ATOM 0 HG2 LYS A 27 23.677 -4.454 -9.774 1.00 11.19 H new ATOM 0 HG3 LYS A 27 24.120 -5.562 -11.058 1.00 11.19 H new ATOM 0 HD2 LYS A 27 21.493 -4.035 -10.898 1.00 12.15 H new ATOM 0 HD3 LYS A 27 22.866 -3.572 -11.883 1.00 12.15 H new ATOM 0 HE2 LYS A 27 22.701 -5.798 -13.063 1.00 12.87 H new ATOM 0 HE3 LYS A 27 21.247 -6.135 -12.145 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 20.725 -5.231 -14.312 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 20.220 -4.156 -13.098 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 21.629 -3.830 -13.988 1.00 13.47 H new ATOM 465 N THR A 28 25.678 -6.117 -8.622 1.00 9.28 N ATOM 466 CA THR A 28 27.105 -6.168 -8.856 1.00 9.35 C ATOM 467 C THR A 28 27.750 -7.075 -7.819 1.00 8.90 C ATOM 468 O THR A 28 28.666 -7.834 -8.122 1.00 9.29 O ATOM 469 CB THR A 28 27.749 -4.764 -8.803 1.00 9.07 C ATOM 470 OG1 THR A 28 27.755 -4.244 -7.465 1.00 9.27 O ATOM 471 CG2 THR A 28 26.998 -3.803 -9.707 1.00 8.30 C ATOM 0 H THR A 28 25.365 -5.324 -8.062 1.00 9.28 H new ATOM 0 HA THR A 28 27.271 -6.564 -9.858 1.00 9.35 H new ATOM 0 HB THR A 28 28.779 -4.863 -9.146 1.00 9.07 H new ATOM 0 HG1 THR A 28 26.940 -4.528 -7.000 1.00 9.27 H new ATOM 0 HG21 THR A 28 27.464 -2.819 -9.659 1.00 8.30 H new ATOM 0 HG22 THR A 28 27.029 -4.169 -10.733 1.00 8.30 H new ATOM 0 HG23 THR A 28 25.961 -3.730 -9.379 1.00 8.30 H new ATOM 479 N LEU A 29 27.205 -7.032 -6.608 1.00 8.24 N ATOM 480 CA LEU A 29 27.740 -7.789 -5.487 1.00 8.03 C ATOM 481 C LEU A 29 27.544 -9.280 -5.718 1.00 8.87 C ATOM 482 O LEU A 29 28.376 -10.097 -5.334 1.00 9.09 O ATOM 483 CB LEU A 29 27.050 -7.361 -4.189 1.00 7.48 C ATOM 484 CG LEU A 29 27.568 -8.031 -2.914 1.00 7.10 C ATOM 485 CD1 LEU A 29 29.014 -7.637 -2.650 1.00 6.93 C ATOM 486 CD2 LEU A 29 26.690 -7.664 -1.729 1.00 6.99 C ATOM 0 H LEU A 29 26.383 -6.473 -6.378 1.00 8.24 H new ATOM 0 HA LEU A 29 28.808 -7.586 -5.403 1.00 8.03 H new ATOM 0 HB2 LEU A 29 27.157 -6.282 -4.080 1.00 7.48 H new ATOM 0 HB3 LEU A 29 25.984 -7.568 -4.280 1.00 7.48 H new ATOM 0 HG LEU A 29 27.529 -9.111 -3.052 1.00 7.10 H new ATOM 0 HD11 LEU A 29 29.363 -8.124 -1.739 1.00 6.93 H new ATOM 0 HD12 LEU A 29 29.635 -7.949 -3.489 1.00 6.93 H new ATOM 0 HD13 LEU A 29 29.081 -6.555 -2.532 1.00 6.93 H new ATOM 0 HD21 LEU A 29 27.071 -8.148 -0.830 1.00 6.99 H new ATOM 0 HD22 LEU A 29 26.699 -6.583 -1.591 1.00 6.99 H new ATOM 0 HD23 LEU A 29 25.669 -7.997 -1.915 1.00 6.99 H new ATOM 498 N ARG A 30 26.440 -9.618 -6.369 1.00 9.50 N ATOM 499 CA ARG A 30 26.112 -11.012 -6.640 1.00 10.45 C ATOM 500 C ARG A 30 27.018 -11.576 -7.722 1.00 10.98 C ATOM 501 O ARG A 30 27.258 -12.780 -7.784 1.00 11.61 O ATOM 502 CB ARG A 30 24.646 -11.138 -7.060 1.00 11.14 C ATOM 503 CG ARG A 30 24.342 -10.602 -8.450 1.00 11.16 C ATOM 504 CD ARG A 30 22.854 -10.653 -8.756 1.00 11.94 C ATOM 505 NE ARG A 30 22.557 -10.174 -10.106 1.00 12.66 N ATOM 506 CZ ARG A 30 21.429 -9.551 -10.453 1.00 13.44 C ATOM 507 NH1 ARG A 30 20.467 -9.349 -9.558 1.00 13.60 N ATOM 508 NH2 ARG A 30 21.259 -9.145 -11.707 1.00 14.19 N ATOM 0 H ARG A 30 25.756 -8.947 -6.719 1.00 9.50 H new ATOM 0 HA ARG A 30 26.268 -11.586 -5.727 1.00 10.45 H new ATOM 0 HB2 ARG A 30 24.358 -12.188 -7.018 1.00 11.14 H new ATOM 0 HB3 ARG A 30 24.027 -10.608 -6.336 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.695 -9.574 -8.530 1.00 11.16 H new ATOM 0 HG3 ARG A 30 24.887 -11.185 -9.193 1.00 11.16 H new ATOM 0 HD2 ARG A 30 22.496 -11.677 -8.647 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.313 -10.047 -8.029 1.00 11.94 H new ATOM 0 HE ARG A 30 23.259 -10.326 -10.830 1.00 12.66 H new ATOM 0 HH11 ARG A 30 20.588 -9.671 -8.598 1.00 13.60 H new ATOM 0 HH12 ARG A 30 19.608 -8.872 -9.832 1.00 13.60 H new ATOM 0 HH21 ARG A 30 21.989 -9.310 -12.400 1.00 14.19 H new ATOM 0 HH22 ARG A 30 20.398 -8.668 -11.977 1.00 14.19 H new ATOM 522 N ALA A 31 27.520 -10.697 -8.568 1.00 10.87 N ATOM 523 CA ALA A 31 28.397 -11.102 -9.654 1.00 11.56 C ATOM 524 C ALA A 31 29.849 -11.181 -9.197 1.00 11.34 C ATOM 525 O ALA A 31 30.477 -12.236 -9.283 1.00 11.93 O ATOM 526 CB ALA A 31 28.263 -10.142 -10.828 1.00 11.84 C ATOM 0 H ALA A 31 27.336 -9.695 -8.525 1.00 10.87 H new ATOM 0 HA ALA A 31 28.093 -12.099 -9.975 1.00 11.56 H new ATOM 0 HB1 ALA A 31 28.926 -10.458 -11.634 1.00 11.84 H new ATOM 0 HB2 ALA A 31 27.233 -10.144 -11.184 1.00 11.84 H new ATOM 0 HB3 ALA A 31 28.535 -9.136 -10.508 1.00 11.84 H new ATOM 532 N GLU A 32 30.374 -10.073 -8.687 1.00 10.61 N ATOM 533 CA GLU A 32 31.782 -9.996 -8.301 1.00 10.60 C ATOM 534 C GLU A 32 32.002 -10.451 -6.856 1.00 10.54 C ATOM 535 O GLU A 32 32.830 -9.890 -6.134 1.00 10.89 O ATOM 536 CB GLU A 32 32.311 -8.571 -8.503 1.00 10.22 C ATOM 537 CG GLU A 32 31.597 -7.524 -7.662 1.00 9.56 C ATOM 538 CD GLU A 32 32.029 -6.110 -7.991 1.00 9.48 C ATOM 539 OE1 GLU A 32 33.159 -5.725 -7.627 1.00 9.47 O ATOM 540 OE2 GLU A 32 31.235 -5.373 -8.610 1.00 9.62 O ATOM 0 H GLU A 32 29.847 -9.214 -8.530 1.00 10.61 H new ATOM 0 HA GLU A 32 32.339 -10.677 -8.945 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.374 -8.551 -8.264 1.00 10.22 H new ATOM 0 HB3 GLU A 32 32.216 -8.304 -9.556 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.521 -7.615 -7.814 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.788 -7.721 -6.607 1.00 9.56 H new ATOM 547 N GLN A 33 31.282 -11.481 -6.438 1.00 10.31 N ATOM 548 CA GLN A 33 31.375 -11.967 -5.069 1.00 10.45 C ATOM 549 C GLN A 33 32.546 -12.930 -4.887 1.00 10.39 C ATOM 550 O GLN A 33 32.434 -13.949 -4.206 1.00 10.09 O ATOM 551 CB GLN A 33 30.081 -12.652 -4.649 1.00 10.44 C ATOM 552 CG GLN A 33 29.665 -13.809 -5.546 1.00 10.76 C ATOM 553 CD GLN A 33 28.477 -14.567 -4.985 1.00 11.12 C ATOM 554 OE1 GLN A 33 28.637 -15.509 -4.212 1.00 11.23 O ATOM 555 NE2 GLN A 33 27.282 -14.170 -5.377 1.00 11.52 N ATOM 0 H GLN A 33 30.627 -11.996 -7.026 1.00 10.31 H new ATOM 0 HA GLN A 33 31.546 -11.098 -4.434 1.00 10.45 H new ATOM 0 HB2 GLN A 33 30.193 -13.020 -3.629 1.00 10.44 H new ATOM 0 HB3 GLN A 33 29.280 -11.913 -4.635 1.00 10.44 H new ATOM 0 HG2 GLN A 33 29.416 -13.428 -6.537 1.00 10.76 H new ATOM 0 HG3 GLN A 33 30.505 -14.492 -5.669 1.00 10.76 H new ATOM 0 HE21 GLN A 33 27.191 -13.383 -6.020 1.00 11.52 H new ATOM 0 HE22 GLN A 33 26.448 -14.650 -5.037 1.00 11.52 H new ATOM 564 N ALA A 34 33.667 -12.596 -5.491 1.00 10.90 N ATOM 565 CA ALA A 34 34.862 -13.418 -5.386 1.00 11.19 C ATOM 566 C ALA A 34 35.525 -13.207 -4.033 1.00 11.09 C ATOM 567 O ALA A 34 35.621 -14.129 -3.222 1.00 11.27 O ATOM 568 CB ALA A 34 35.830 -13.101 -6.516 1.00 11.97 C ATOM 0 H ALA A 34 33.779 -11.759 -6.063 1.00 10.90 H new ATOM 0 HA ALA A 34 34.574 -14.466 -5.471 1.00 11.19 H new ATOM 0 HB1 ALA A 34 36.718 -13.726 -6.420 1.00 11.97 H new ATOM 0 HB2 ALA A 34 35.349 -13.299 -7.474 1.00 11.97 H new ATOM 0 HB3 ALA A 34 36.118 -12.051 -6.465 1.00 11.97 H new ATOM 574 N SER A 35 35.974 -11.986 -3.785 1.00 11.05 N ATOM 575 CA SER A 35 36.539 -11.632 -2.498 1.00 11.21 C ATOM 576 C SER A 35 35.429 -11.272 -1.518 1.00 10.64 C ATOM 577 O SER A 35 35.230 -10.101 -1.190 1.00 10.19 O ATOM 578 CB SER A 35 37.518 -10.467 -2.638 1.00 11.48 C ATOM 579 OG SER A 35 38.159 -10.189 -1.406 1.00 12.02 O ATOM 0 H SER A 35 35.957 -11.224 -4.462 1.00 11.05 H new ATOM 0 HA SER A 35 37.085 -12.494 -2.114 1.00 11.21 H new ATOM 0 HB2 SER A 35 38.265 -10.705 -3.395 1.00 11.48 H new ATOM 0 HB3 SER A 35 36.986 -9.580 -2.983 1.00 11.48 H new ATOM 0 HG SER A 35 38.891 -9.554 -1.554 1.00 12.02 H new ATOM 585 N GLN A 36 34.709 -12.282 -1.054 1.00 10.85 N ATOM 586 CA GLN A 36 33.612 -12.085 -0.111 1.00 10.51 C ATOM 587 C GLN A 36 34.121 -11.410 1.156 1.00 10.66 C ATOM 588 O GLN A 36 33.406 -10.640 1.798 1.00 10.26 O ATOM 589 CB GLN A 36 32.974 -13.429 0.236 1.00 11.11 C ATOM 590 CG GLN A 36 32.467 -14.189 -0.978 1.00 11.25 C ATOM 591 CD GLN A 36 32.063 -15.610 -0.644 1.00 11.80 C ATOM 592 OE1 GLN A 36 32.887 -16.523 -0.688 1.00 12.14 O ATOM 593 NE2 GLN A 36 30.796 -15.810 -0.324 1.00 12.09 N ATOM 0 H GLN A 36 34.865 -13.255 -1.316 1.00 10.85 H new ATOM 0 HA GLN A 36 32.862 -11.444 -0.575 1.00 10.51 H new ATOM 0 HB2 GLN A 36 33.704 -14.044 0.761 1.00 11.11 H new ATOM 0 HB3 GLN A 36 32.145 -13.262 0.923 1.00 11.11 H new ATOM 0 HG2 GLN A 36 31.613 -13.662 -1.402 1.00 11.25 H new ATOM 0 HG3 GLN A 36 33.243 -14.205 -1.743 1.00 11.25 H new ATOM 0 HE21 GLN A 36 30.146 -15.024 -0.300 1.00 12.09 H new ATOM 0 HE22 GLN A 36 30.468 -16.750 -0.101 1.00 12.09 H new ATOM 602 N GLU A 37 35.375 -11.694 1.489 1.00 11.37 N ATOM 603 CA GLU A 37 36.008 -11.154 2.683 1.00 11.85 C ATOM 604 C GLU A 37 36.115 -9.633 2.629 1.00 11.40 C ATOM 605 O GLU A 37 35.847 -8.948 3.618 1.00 11.56 O ATOM 606 CB GLU A 37 37.391 -11.784 2.873 1.00 12.76 C ATOM 607 CG GLU A 37 38.268 -11.712 1.632 1.00 12.82 C ATOM 608 CD GLU A 37 39.626 -12.343 1.835 1.00 13.79 C ATOM 609 OE1 GLU A 37 39.743 -13.574 1.667 1.00 14.44 O ATOM 610 OE2 GLU A 37 40.580 -11.609 2.167 1.00 13.98 O ATOM 0 H GLU A 37 35.979 -12.304 0.939 1.00 11.37 H new ATOM 0 HA GLU A 37 35.380 -11.405 3.538 1.00 11.85 H new ATOM 0 HB2 GLU A 37 37.899 -11.283 3.697 1.00 12.76 H new ATOM 0 HB3 GLU A 37 37.269 -12.828 3.162 1.00 12.76 H new ATOM 0 HG2 GLU A 37 37.761 -12.210 0.806 1.00 12.82 H new ATOM 0 HG3 GLU A 37 38.397 -10.669 1.344 1.00 12.82 H new ATOM 617 N VAL A 38 36.485 -9.103 1.474 1.00 11.01 N ATOM 618 CA VAL A 38 36.621 -7.664 1.318 1.00 10.78 C ATOM 619 C VAL A 38 35.267 -7.049 1.005 1.00 9.91 C ATOM 620 O VAL A 38 34.951 -5.951 1.456 1.00 9.82 O ATOM 621 CB VAL A 38 37.635 -7.299 0.208 1.00 10.99 C ATOM 622 CG1 VAL A 38 37.691 -5.793 -0.011 1.00 11.05 C ATOM 623 CG2 VAL A 38 39.016 -7.832 0.555 1.00 11.61 C ATOM 0 H VAL A 38 36.695 -9.644 0.635 1.00 11.01 H new ATOM 0 HA VAL A 38 37.000 -7.262 2.258 1.00 10.78 H new ATOM 0 HB VAL A 38 37.300 -7.764 -0.719 1.00 10.99 H new ATOM 0 HG11 VAL A 38 38.412 -5.566 -0.797 1.00 11.05 H new ATOM 0 HG12 VAL A 38 36.706 -5.431 -0.307 1.00 11.05 H new ATOM 0 HG13 VAL A 38 37.995 -5.302 0.913 1.00 11.05 H new ATOM 0 HG21 VAL A 38 39.718 -7.567 -0.236 1.00 11.61 H new ATOM 0 HG22 VAL A 38 39.349 -7.395 1.497 1.00 11.61 H new ATOM 0 HG23 VAL A 38 38.973 -8.917 0.653 1.00 11.61 H new ATOM 633 N LYS A 39 34.455 -7.786 0.260 1.00 9.40 N ATOM 634 CA LYS A 39 33.140 -7.311 -0.142 1.00 8.62 C ATOM 635 C LYS A 39 32.255 -7.053 1.069 1.00 8.49 C ATOM 636 O LYS A 39 31.700 -5.966 1.215 1.00 8.00 O ATOM 637 CB LYS A 39 32.473 -8.316 -1.078 1.00 8.48 C ATOM 638 CG LYS A 39 33.119 -8.389 -2.453 1.00 8.87 C ATOM 639 CD LYS A 39 32.853 -7.128 -3.263 1.00 8.96 C ATOM 640 CE LYS A 39 33.466 -7.210 -4.654 1.00 9.53 C ATOM 641 NZ LYS A 39 34.951 -7.208 -4.620 1.00 9.78 N ATOM 0 H LYS A 39 34.686 -8.720 -0.079 1.00 9.40 H new ATOM 0 HA LYS A 39 33.272 -6.368 -0.673 1.00 8.62 H new ATOM 0 HB2 LYS A 39 32.504 -9.304 -0.618 1.00 8.48 H new ATOM 0 HB3 LYS A 39 31.422 -8.051 -1.193 1.00 8.48 H new ATOM 0 HG2 LYS A 39 34.194 -8.532 -2.344 1.00 8.87 H new ATOM 0 HG3 LYS A 39 32.735 -9.256 -2.991 1.00 8.87 H new ATOM 0 HD2 LYS A 39 31.778 -6.971 -3.348 1.00 8.96 H new ATOM 0 HD3 LYS A 39 33.261 -6.265 -2.736 1.00 8.96 H new ATOM 0 HE2 LYS A 39 33.118 -8.117 -5.148 1.00 9.53 H new ATOM 0 HE3 LYS A 39 33.118 -6.367 -5.252 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 35.320 -7.180 -5.592 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 35.285 -6.373 -4.098 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 35.289 -8.070 -4.146 1.00 9.78 H new ATOM 655 N ASN A 40 32.137 -8.046 1.943 1.00 9.12 N ATOM 656 CA ASN A 40 31.308 -7.907 3.138 1.00 9.38 C ATOM 657 C ASN A 40 31.817 -6.769 4.022 1.00 9.55 C ATOM 658 O ASN A 40 31.033 -5.949 4.497 1.00 9.39 O ATOM 659 CB ASN A 40 31.270 -9.214 3.933 1.00 10.35 C ATOM 660 CG ASN A 40 30.326 -9.140 5.123 1.00 10.85 C ATOM 661 OD1 ASN A 40 29.129 -9.406 5.000 1.00 10.92 O ATOM 662 ND2 ASN A 40 30.855 -8.787 6.285 1.00 11.43 N ATOM 0 H ASN A 40 32.600 -8.950 1.850 1.00 9.12 H new ATOM 0 HA ASN A 40 30.295 -7.670 2.814 1.00 9.38 H new ATOM 0 HB2 ASN A 40 30.960 -10.027 3.276 1.00 10.35 H new ATOM 0 HB3 ASN A 40 32.274 -9.453 4.283 1.00 10.35 H new ATOM 0 HD21 ASN A 40 30.267 -8.728 7.116 1.00 11.43 H new ATOM 0 HD22 ASN A 40 31.851 -8.574 6.348 1.00 11.43 H new ATOM 669 N ALA A 41 33.131 -6.708 4.210 1.00 10.04 N ATOM 670 CA ALA A 41 33.739 -5.661 5.027 1.00 10.52 C ATOM 671 C ALA A 41 33.508 -4.289 4.405 1.00 9.85 C ATOM 672 O ALA A 41 33.355 -3.290 5.112 1.00 10.08 O ATOM 673 CB ALA A 41 35.228 -5.921 5.204 1.00 11.43 C ATOM 0 H ALA A 41 33.796 -7.370 3.809 1.00 10.04 H new ATOM 0 HA ALA A 41 33.265 -5.676 6.009 1.00 10.52 H new ATOM 0 HB1 ALA A 41 35.665 -5.131 5.815 1.00 11.43 H new ATOM 0 HB2 ALA A 41 35.373 -6.883 5.696 1.00 11.43 H new ATOM 0 HB3 ALA A 41 35.713 -5.935 4.228 1.00 11.43 H new ATOM 679 N ALA A 42 33.486 -4.245 3.081 1.00 9.19 N ATOM 680 CA ALA A 42 33.210 -3.012 2.366 1.00 8.71 C ATOM 681 C ALA A 42 31.760 -2.602 2.550 1.00 7.86 C ATOM 682 O ALA A 42 31.488 -1.507 3.020 1.00 7.82 O ATOM 683 CB ALA A 42 33.543 -3.157 0.887 1.00 8.58 C ATOM 0 H ALA A 42 33.657 -5.052 2.481 1.00 9.19 H new ATOM 0 HA ALA A 42 33.844 -2.229 2.781 1.00 8.71 H new ATOM 0 HB1 ALA A 42 33.328 -2.221 0.372 1.00 8.58 H new ATOM 0 HB2 ALA A 42 34.600 -3.399 0.774 1.00 8.58 H new ATOM 0 HB3 ALA A 42 32.940 -3.955 0.455 1.00 8.58 H new ATOM 689 N THR A 43 30.840 -3.509 2.215 1.00 7.35 N ATOM 690 CA THR A 43 29.403 -3.230 2.243 1.00 6.63 C ATOM 691 C THR A 43 28.950 -2.573 3.549 1.00 6.87 C ATOM 692 O THR A 43 28.041 -1.742 3.542 1.00 6.42 O ATOM 693 CB THR A 43 28.572 -4.512 2.004 1.00 6.60 C ATOM 694 OG1 THR A 43 28.896 -5.513 2.976 1.00 6.93 O ATOM 695 CG2 THR A 43 28.815 -5.062 0.608 1.00 6.92 C ATOM 0 H THR A 43 31.070 -4.457 1.917 1.00 7.35 H new ATOM 0 HA THR A 43 29.226 -2.525 1.431 1.00 6.63 H new ATOM 0 HB THR A 43 27.519 -4.248 2.101 1.00 6.60 H new ATOM 0 HG1 THR A 43 29.799 -5.353 3.322 1.00 6.93 H new ATOM 0 HG21 THR A 43 28.220 -5.964 0.463 1.00 6.92 H new ATOM 0 HG22 THR A 43 28.528 -4.315 -0.132 1.00 6.92 H new ATOM 0 HG23 THR A 43 29.872 -5.302 0.490 1.00 6.92 H new ATOM 703 N GLU A 44 29.599 -2.933 4.654 1.00 7.76 N ATOM 704 CA GLU A 44 29.275 -2.370 5.961 1.00 8.32 C ATOM 705 C GLU A 44 29.345 -0.845 5.939 1.00 8.48 C ATOM 706 O GLU A 44 28.367 -0.159 6.236 1.00 8.35 O ATOM 707 CB GLU A 44 30.247 -2.896 7.011 1.00 9.53 C ATOM 708 CG GLU A 44 30.212 -4.401 7.188 1.00 10.03 C ATOM 709 CD GLU A 44 31.150 -4.869 8.280 1.00 11.07 C ATOM 710 OE1 GLU A 44 32.336 -5.112 7.989 1.00 11.69 O ATOM 711 OE2 GLU A 44 30.701 -4.990 9.441 1.00 11.42 O ATOM 0 H GLU A 44 30.356 -3.616 4.669 1.00 7.76 H new ATOM 0 HA GLU A 44 28.257 -2.671 6.210 1.00 8.32 H new ATOM 0 HB2 GLU A 44 31.259 -2.597 6.737 1.00 9.53 H new ATOM 0 HB3 GLU A 44 30.023 -2.423 7.967 1.00 9.53 H new ATOM 0 HG2 GLU A 44 29.195 -4.714 7.426 1.00 10.03 H new ATOM 0 HG3 GLU A 44 30.482 -4.882 6.248 1.00 10.03 H new ATOM 718 N THR A 45 30.510 -0.327 5.589 1.00 8.95 N ATOM 719 CA THR A 45 30.720 1.112 5.531 1.00 9.49 C ATOM 720 C THR A 45 30.271 1.678 4.181 1.00 8.79 C ATOM 721 O THR A 45 29.873 2.836 4.080 1.00 9.04 O ATOM 722 CB THR A 45 32.204 1.468 5.797 1.00 10.61 C ATOM 723 OG1 THR A 45 32.417 2.879 5.675 1.00 11.34 O ATOM 724 CG2 THR A 45 33.130 0.729 4.843 1.00 11.01 C ATOM 0 H THR A 45 31.328 -0.883 5.340 1.00 8.95 H new ATOM 0 HA THR A 45 30.112 1.567 6.313 1.00 9.49 H new ATOM 0 HB THR A 45 32.435 1.157 6.816 1.00 10.61 H new ATOM 0 HG1 THR A 45 33.360 3.084 5.848 1.00 11.34 H new ATOM 0 HG21 THR A 45 34.164 1.001 5.056 1.00 11.01 H new ATOM 0 HG22 THR A 45 33.003 -0.346 4.972 1.00 11.01 H new ATOM 0 HG23 THR A 45 32.887 1.002 3.816 1.00 11.01 H new ATOM 732 N LEU A 46 30.308 0.839 3.156 1.00 8.07 N ATOM 733 CA LEU A 46 30.004 1.257 1.798 1.00 7.71 C ATOM 734 C LEU A 46 28.551 1.701 1.664 1.00 6.77 C ATOM 735 O LEU A 46 28.299 2.832 1.287 1.00 6.93 O ATOM 736 CB LEU A 46 30.341 0.121 0.813 1.00 7.55 C ATOM 737 CG LEU A 46 30.217 0.427 -0.690 1.00 7.70 C ATOM 738 CD1 LEU A 46 28.785 0.259 -1.161 1.00 7.76 C ATOM 739 CD2 LEU A 46 30.721 1.827 -1.007 1.00 8.22 C ATOM 0 H LEU A 46 30.549 -0.148 3.243 1.00 8.07 H new ATOM 0 HA LEU A 46 30.622 2.121 1.554 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.364 -0.201 1.008 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.692 -0.725 1.039 1.00 7.55 H new ATOM 0 HG LEU A 46 30.840 -0.288 -1.226 1.00 7.70 H new ATOM 0 HD11 LEU A 46 28.724 0.481 -2.226 1.00 7.76 H new ATOM 0 HD12 LEU A 46 28.462 -0.767 -0.985 1.00 7.76 H new ATOM 0 HD13 LEU A 46 28.138 0.942 -0.610 1.00 7.76 H new ATOM 0 HD21 LEU A 46 30.622 2.016 -2.076 1.00 8.22 H new ATOM 0 HD22 LEU A 46 30.134 2.559 -0.453 1.00 8.22 H new ATOM 0 HD23 LEU A 46 31.769 1.910 -0.720 1.00 8.22 H new ATOM 751 N LEU A 47 27.598 0.829 1.993 1.00 5.99 N ATOM 752 CA LEU A 47 26.183 1.148 1.766 1.00 5.15 C ATOM 753 C LEU A 47 25.711 2.332 2.611 1.00 5.48 C ATOM 754 O LEU A 47 24.835 3.082 2.189 1.00 5.21 O ATOM 755 CB LEU A 47 25.273 -0.064 2.013 1.00 4.73 C ATOM 756 CG LEU A 47 25.176 -1.081 0.863 1.00 4.22 C ATOM 757 CD1 LEU A 47 24.867 -0.394 -0.465 1.00 4.20 C ATOM 758 CD2 LEU A 47 26.449 -1.898 0.757 1.00 4.34 C ATOM 0 H LEU A 47 27.771 -0.086 2.409 1.00 5.99 H new ATOM 0 HA LEU A 47 26.107 1.429 0.716 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.628 -0.584 2.903 1.00 4.73 H new ATOM 0 HB3 LEU A 47 24.270 0.300 2.235 1.00 4.73 H new ATOM 0 HG LEU A 47 24.350 -1.756 1.089 1.00 4.22 H new ATOM 0 HD11 LEU A 47 24.805 -1.142 -1.256 1.00 4.20 H new ATOM 0 HD12 LEU A 47 23.916 0.133 -0.389 1.00 4.20 H new ATOM 0 HD13 LEU A 47 25.659 0.318 -0.699 1.00 4.20 H new ATOM 0 HD21 LEU A 47 26.357 -2.610 -0.063 1.00 4.34 H new ATOM 0 HD22 LEU A 47 27.293 -1.234 0.568 1.00 4.34 H new ATOM 0 HD23 LEU A 47 26.614 -2.438 1.690 1.00 4.34 H new ATOM 770 N VAL A 48 26.289 2.513 3.793 1.00 6.32 N ATOM 771 CA VAL A 48 25.895 3.634 4.642 1.00 6.92 C ATOM 772 C VAL A 48 26.520 4.939 4.147 1.00 7.62 C ATOM 773 O VAL A 48 25.914 6.002 4.249 1.00 7.93 O ATOM 774 CB VAL A 48 26.249 3.405 6.133 1.00 7.91 C ATOM 775 CG1 VAL A 48 25.503 2.197 6.680 1.00 7.84 C ATOM 776 CG2 VAL A 48 27.747 3.238 6.332 1.00 8.67 C ATOM 0 H VAL A 48 27.017 1.913 4.180 1.00 6.32 H new ATOM 0 HA VAL A 48 24.810 3.708 4.574 1.00 6.92 H new ATOM 0 HB VAL A 48 25.937 4.291 6.686 1.00 7.91 H new ATOM 0 HG11 VAL A 48 25.764 2.052 7.728 1.00 7.84 H new ATOM 0 HG12 VAL A 48 24.429 2.363 6.593 1.00 7.84 H new ATOM 0 HG13 VAL A 48 25.780 1.310 6.111 1.00 7.84 H new ATOM 0 HG21 VAL A 48 27.958 3.079 7.390 1.00 8.67 H new ATOM 0 HG22 VAL A 48 28.097 2.379 5.759 1.00 8.67 H new ATOM 0 HG23 VAL A 48 28.262 4.136 5.990 1.00 8.67 H new ATOM 786 N GLN A 49 27.725 4.844 3.593 1.00 8.03 N ATOM 787 CA GLN A 49 28.405 5.997 3.015 1.00 8.97 C ATOM 788 C GLN A 49 27.864 6.278 1.613 1.00 8.65 C ATOM 789 O GLN A 49 27.943 7.395 1.102 1.00 9.36 O ATOM 790 CB GLN A 49 29.917 5.737 2.971 1.00 9.65 C ATOM 791 CG GLN A 49 30.725 6.838 2.299 1.00 10.72 C ATOM 792 CD GLN A 49 30.725 8.145 3.073 1.00 11.48 C ATOM 793 OE1 GLN A 49 29.772 8.468 3.783 1.00 11.55 O ATOM 794 NE2 GLN A 49 31.795 8.910 2.935 1.00 12.22 N ATOM 0 H GLN A 49 28.253 3.974 3.532 1.00 8.03 H new ATOM 0 HA GLN A 49 28.219 6.874 3.635 1.00 8.97 H new ATOM 0 HB2 GLN A 49 30.281 5.607 3.990 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.097 4.799 2.446 1.00 9.65 H new ATOM 0 HG2 GLN A 49 31.753 6.499 2.174 1.00 10.72 H new ATOM 0 HG3 GLN A 49 30.324 7.015 1.301 1.00 10.72 H new ATOM 0 HE21 GLN A 49 32.564 8.608 2.338 1.00 12.22 H new ATOM 0 HE22 GLN A 49 31.851 9.802 3.426 1.00 12.22 H new ATOM 803 N ASN A 50 27.296 5.242 1.018 1.00 7.73 N ATOM 804 CA ASN A 50 26.709 5.301 -0.315 1.00 7.72 C ATOM 805 C ASN A 50 25.441 6.151 -0.318 1.00 7.17 C ATOM 806 O ASN A 50 24.998 6.624 -1.364 1.00 7.27 O ATOM 807 CB ASN A 50 26.395 3.871 -0.772 1.00 7.34 C ATOM 808 CG ASN A 50 25.698 3.788 -2.107 1.00 7.66 C ATOM 809 OD1 ASN A 50 24.474 3.860 -2.190 1.00 8.30 O ATOM 810 ND2 ASN A 50 26.473 3.605 -3.158 1.00 7.49 N ATOM 0 H ASN A 50 27.228 4.322 1.452 1.00 7.73 H new ATOM 0 HA ASN A 50 27.416 5.766 -1.002 1.00 7.72 H new ATOM 0 HB2 ASN A 50 27.325 3.306 -0.825 1.00 7.34 H new ATOM 0 HB3 ASN A 50 25.772 3.389 -0.019 1.00 7.34 H new ATOM 0 HD21 ASN A 50 26.060 3.517 -4.087 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.485 3.551 -3.042 1.00 7.49 H new ATOM 817 N ALA A 51 24.888 6.376 0.864 1.00 6.83 N ATOM 818 CA ALA A 51 23.630 7.078 0.992 1.00 6.42 C ATOM 819 C ALA A 51 23.834 8.575 0.813 1.00 7.39 C ATOM 820 O ALA A 51 24.946 9.082 0.980 1.00 8.36 O ATOM 821 CB ALA A 51 23.017 6.778 2.351 1.00 5.86 C ATOM 0 H ALA A 51 25.297 6.079 1.750 1.00 6.83 H new ATOM 0 HA ALA A 51 22.949 6.736 0.213 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.069 7.307 2.447 1.00 5.86 H new ATOM 0 HB2 ALA A 51 22.845 5.706 2.444 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.697 7.106 3.137 1.00 5.86 H new ATOM 827 N ASN A 52 22.771 9.279 0.449 1.00 7.23 N ATOM 828 CA ASN A 52 22.817 10.731 0.390 1.00 8.14 C ATOM 829 C ASN A 52 22.912 11.265 1.808 1.00 8.57 C ATOM 830 O ASN A 52 22.368 10.653 2.725 1.00 8.09 O ATOM 831 CB ASN A 52 21.589 11.300 -0.347 1.00 7.94 C ATOM 832 CG ASN A 52 20.273 11.029 0.359 1.00 8.81 C ATOM 833 OD1 ASN A 52 19.682 9.966 0.201 1.00 9.40 O ATOM 834 ND2 ASN A 52 19.784 12.005 1.107 1.00 9.07 N ATOM 0 H ASN A 52 21.872 8.870 0.192 1.00 7.23 H new ATOM 0 HA ASN A 52 23.692 11.048 -0.177 1.00 8.14 H new ATOM 0 HB2 ASN A 52 21.713 12.377 -0.464 1.00 7.94 H new ATOM 0 HB3 ASN A 52 21.548 10.873 -1.349 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.886 11.887 1.576 1.00 9.07 H new ATOM 0 HD22 ASN A 52 20.305 12.875 1.215 1.00 9.07 H new ATOM 841 N PRO A 53 23.638 12.382 2.007 1.00 9.68 N ATOM 842 CA PRO A 53 23.904 12.953 3.334 1.00 10.41 C ATOM 843 C PRO A 53 22.722 12.849 4.293 1.00 10.13 C ATOM 844 O PRO A 53 22.863 12.367 5.413 1.00 10.29 O ATOM 845 CB PRO A 53 24.213 14.409 3.007 1.00 11.56 C ATOM 846 CG PRO A 53 24.889 14.348 1.681 1.00 11.66 C ATOM 847 CD PRO A 53 24.278 13.181 0.943 1.00 10.51 C ATOM 0 HA PRO A 53 24.703 12.424 3.853 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.304 15.009 2.964 1.00 11.56 H new ATOM 0 HB3 PRO A 53 24.857 14.859 3.762 1.00 11.56 H new ATOM 0 HG2 PRO A 53 24.744 15.276 1.128 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.964 14.213 1.799 1.00 11.66 H new ATOM 0 HD2 PRO A 53 23.551 13.514 0.202 1.00 10.51 H new ATOM 0 HD3 PRO A 53 25.035 12.604 0.411 1.00 10.51 H new ATOM 855 N ASP A 54 21.554 13.259 3.825 1.00 9.86 N ATOM 856 CA ASP A 54 20.346 13.284 4.654 1.00 9.76 C ATOM 857 C ASP A 54 19.948 11.874 5.094 1.00 8.93 C ATOM 858 O ASP A 54 19.525 11.653 6.228 1.00 9.26 O ATOM 859 CB ASP A 54 19.199 13.909 3.863 1.00 9.71 C ATOM 860 CG ASP A 54 18.083 14.428 4.749 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.136 15.611 5.145 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.138 13.668 5.035 1.00 9.67 O ATOM 0 H ASP A 54 21.410 13.583 2.868 1.00 9.86 H new ATOM 0 HA ASP A 54 20.555 13.876 5.545 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.586 14.729 3.258 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.794 13.168 3.174 1.00 9.71 H new ATOM 867 N CYS A 55 20.121 10.934 4.183 1.00 8.04 N ATOM 868 CA CYS A 55 19.714 9.543 4.385 1.00 7.30 C ATOM 869 C CYS A 55 20.539 8.849 5.470 1.00 7.57 C ATOM 870 O CYS A 55 19.989 8.211 6.365 1.00 7.74 O ATOM 871 CB CYS A 55 19.836 8.780 3.065 1.00 6.46 C ATOM 872 SG CYS A 55 19.533 7.006 3.187 1.00 6.30 S ATOM 0 H CYS A 55 20.550 11.109 3.274 1.00 8.04 H new ATOM 0 HA CYS A 55 18.677 9.545 4.722 1.00 7.30 H new ATOM 0 HB2 CYS A 55 19.133 9.206 2.349 1.00 6.46 H new ATOM 0 HB3 CYS A 55 20.837 8.937 2.662 1.00 6.46 H new ATOM 0 HG CYS A 55 19.922 6.423 2.092 1.00 6.30 H new ATOM 878 N LYS A 56 21.858 8.957 5.400 1.00 7.87 N ATOM 879 CA LYS A 56 22.706 8.353 6.426 1.00 8.36 C ATOM 880 C LYS A 56 22.540 9.096 7.743 1.00 9.50 C ATOM 881 O LYS A 56 22.682 8.521 8.821 1.00 10.04 O ATOM 882 CB LYS A 56 24.170 8.342 5.994 1.00 8.58 C ATOM 883 CG LYS A 56 24.657 9.677 5.471 1.00 8.84 C ATOM 884 CD LYS A 56 25.104 9.570 4.028 1.00 8.68 C ATOM 885 CE LYS A 56 26.488 8.954 3.903 1.00 9.50 C ATOM 886 NZ LYS A 56 27.515 9.713 4.661 1.00 9.81 N ATOM 0 H LYS A 56 22.360 9.447 4.660 1.00 7.87 H new ATOM 0 HA LYS A 56 22.394 7.318 6.564 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.788 8.046 6.841 1.00 8.58 H new ATOM 0 HB3 LYS A 56 24.306 7.586 5.220 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.860 10.416 5.554 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.485 10.031 6.086 1.00 8.84 H new ATOM 0 HD2 LYS A 56 24.387 8.967 3.471 1.00 8.68 H new ATOM 0 HD3 LYS A 56 25.107 10.561 3.575 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.459 7.926 4.264 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.772 8.914 2.851 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 28.461 9.469 4.304 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.352 10.733 4.541 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 27.453 9.469 5.670 1.00 9.81 H new ATOM 900 N THR A 57 22.224 10.377 7.633 1.00 9.98 N ATOM 901 CA THR A 57 21.933 11.205 8.796 1.00 11.08 C ATOM 902 C THR A 57 20.722 10.674 9.572 1.00 11.16 C ATOM 903 O THR A 57 20.760 10.582 10.802 1.00 12.08 O ATOM 904 CB THR A 57 21.692 12.670 8.378 1.00 11.53 C ATOM 905 OG1 THR A 57 22.892 13.216 7.818 1.00 12.00 O ATOM 906 CG2 THR A 57 21.251 13.521 9.555 1.00 12.46 C ATOM 0 H THR A 57 22.162 10.870 6.742 1.00 9.98 H new ATOM 0 HA THR A 57 22.803 11.164 9.452 1.00 11.08 H new ATOM 0 HB THR A 57 20.895 12.679 7.635 1.00 11.53 H new ATOM 0 HG1 THR A 57 23.169 12.677 7.048 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.091 14.547 9.223 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.322 13.123 9.964 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.023 13.505 10.325 1.00 12.46 H new ATOM 914 N ILE A 58 19.653 10.313 8.867 1.00 10.34 N ATOM 915 CA ILE A 58 18.465 9.791 9.534 1.00 10.60 C ATOM 916 C ILE A 58 18.696 8.370 10.040 1.00 10.65 C ATOM 917 O ILE A 58 18.230 8.023 11.118 1.00 11.46 O ATOM 918 CB ILE A 58 17.207 9.817 8.639 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.436 9.016 7.361 1.00 8.86 C ATOM 920 CG2 ILE A 58 16.817 11.249 8.313 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.216 8.894 6.482 1.00 8.44 C ATOM 0 H ILE A 58 19.585 10.371 7.851 1.00 10.34 H new ATOM 0 HA ILE A 58 18.284 10.457 10.378 1.00 10.60 H new ATOM 0 HB ILE A 58 16.387 9.353 9.187 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.237 9.486 6.789 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.779 8.017 7.628 1.00 8.86 H new ATOM 0 HG21 ILE A 58 15.929 11.249 7.682 1.00 10.22 H new ATOM 0 HG22 ILE A 58 16.606 11.788 9.237 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.636 11.738 7.787 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.463 8.311 5.595 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.419 8.396 7.033 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.883 9.888 6.182 1.00 8.44 H new ATOM 933 N LEU A 59 19.426 7.560 9.265 1.00 9.90 N ATOM 934 CA LEU A 59 19.760 6.188 9.667 1.00 9.98 C ATOM 935 C LEU A 59 20.262 6.128 11.104 1.00 11.20 C ATOM 936 O LEU A 59 19.798 5.317 11.903 1.00 11.84 O ATOM 937 CB LEU A 59 20.827 5.594 8.741 1.00 9.07 C ATOM 938 CG LEU A 59 20.320 5.063 7.400 1.00 7.91 C ATOM 939 CD1 LEU A 59 21.480 4.583 6.540 1.00 7.28 C ATOM 940 CD2 LEU A 59 19.332 3.930 7.624 1.00 7.92 C ATOM 0 H LEU A 59 19.797 7.831 8.355 1.00 9.90 H new ATOM 0 HA LEU A 59 18.842 5.605 9.592 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.580 6.358 8.547 1.00 9.07 H new ATOM 0 HB3 LEU A 59 21.327 4.781 9.267 1.00 9.07 H new ATOM 0 HG LEU A 59 19.815 5.875 6.877 1.00 7.91 H new ATOM 0 HD11 LEU A 59 21.098 4.209 5.590 1.00 7.28 H new ATOM 0 HD12 LEU A 59 22.163 5.412 6.355 1.00 7.28 H new ATOM 0 HD13 LEU A 59 22.010 3.784 7.058 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.978 3.560 6.662 1.00 7.92 H new ATOM 0 HD22 LEU A 59 19.823 3.121 8.165 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.486 4.295 8.206 1.00 7.92 H new ATOM 952 N LYS A 60 21.197 7.003 11.429 1.00 11.67 N ATOM 953 CA LYS A 60 21.807 7.011 12.751 1.00 12.90 C ATOM 954 C LYS A 60 20.911 7.700 13.777 1.00 13.86 C ATOM 955 O LYS A 60 21.080 7.519 14.982 1.00 14.91 O ATOM 956 CB LYS A 60 23.178 7.686 12.682 1.00 13.23 C ATOM 957 CG LYS A 60 23.121 9.123 12.193 1.00 13.20 C ATOM 958 CD LYS A 60 24.418 9.545 11.527 1.00 13.44 C ATOM 959 CE LYS A 60 25.597 9.495 12.487 1.00 14.35 C ATOM 960 NZ LYS A 60 26.874 9.858 11.817 1.00 14.91 N ATOM 0 H LYS A 60 21.552 7.719 10.796 1.00 11.67 H new ATOM 0 HA LYS A 60 21.935 5.979 13.078 1.00 12.90 H new ATOM 0 HB2 LYS A 60 23.635 7.665 13.671 1.00 13.23 H new ATOM 0 HB3 LYS A 60 23.825 7.110 12.020 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.298 9.234 11.488 1.00 13.20 H new ATOM 0 HG3 LYS A 60 22.912 9.785 13.034 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.616 8.894 10.676 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.312 10.557 11.136 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.417 10.176 13.319 1.00 14.35 H new ATOM 0 HE3 LYS A 60 25.680 8.493 12.908 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 27.652 9.812 12.505 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 27.059 9.193 11.039 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 26.805 10.824 11.437 1.00 14.91 H new ATOM 974 N ALA A 61 19.963 8.490 13.297 1.00 13.54 N ATOM 975 CA ALA A 61 19.044 9.198 14.176 1.00 14.41 C ATOM 976 C ALA A 61 17.908 8.289 14.628 1.00 14.65 C ATOM 977 O ALA A 61 17.532 8.285 15.801 1.00 15.64 O ATOM 978 CB ALA A 61 18.486 10.432 13.483 1.00 14.06 C ATOM 0 H ALA A 61 19.809 8.657 12.303 1.00 13.54 H new ATOM 0 HA ALA A 61 19.601 9.513 15.059 1.00 14.41 H new ATOM 0 HB1 ALA A 61 17.801 10.948 14.155 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.304 11.100 13.215 1.00 14.06 H new ATOM 0 HB3 ALA A 61 17.952 10.133 12.581 1.00 14.06 H new ATOM 984 N LEU A 62 17.368 7.507 13.701 1.00 13.84 N ATOM 985 CA LEU A 62 16.222 6.653 14.003 1.00 14.21 C ATOM 986 C LEU A 62 16.632 5.207 14.206 1.00 14.97 C ATOM 987 O LEU A 62 15.788 4.354 14.450 1.00 15.72 O ATOM 988 CB LEU A 62 15.150 6.746 12.911 1.00 13.37 C ATOM 989 CG LEU A 62 15.648 6.752 11.459 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.022 5.352 10.993 1.00 11.39 C ATOM 991 CD2 LEU A 62 14.594 7.353 10.542 1.00 12.25 C ATOM 0 H LEU A 62 17.701 7.445 12.739 1.00 13.84 H new ATOM 0 HA LEU A 62 15.799 7.020 14.938 1.00 14.21 H new ATOM 0 HB2 LEU A 62 14.465 5.907 13.033 1.00 13.37 H new ATOM 0 HB3 LEU A 62 14.572 7.655 13.077 1.00 13.37 H new ATOM 0 HG LEU A 62 16.547 7.367 11.416 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.370 5.393 9.961 1.00 11.39 H new ATOM 0 HD12 LEU A 62 16.815 4.957 11.628 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.149 4.702 11.056 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.961 7.351 9.516 1.00 12.25 H new ATOM 0 HD22 LEU A 62 13.680 6.762 10.602 1.00 12.25 H new ATOM 0 HD23 LEU A 62 14.385 8.377 10.850 1.00 12.25 H new ATOM 1055 N LEU A 68 15.698 -2.949 11.386 1.00 12.22 N ATOM 1056 CA LEU A 68 16.483 -3.225 10.190 1.00 11.25 C ATOM 1057 C LEU A 68 15.682 -2.852 8.954 1.00 11.10 C ATOM 1058 O LEU A 68 16.119 -2.046 8.131 1.00 10.12 O ATOM 1059 CB LEU A 68 16.889 -4.711 10.161 1.00 11.69 C ATOM 1060 CG LEU A 68 17.964 -5.116 9.134 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.391 -5.200 7.726 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.135 -4.143 9.171 1.00 9.79 C ATOM 0 HA LEU A 68 17.393 -2.625 10.203 1.00 11.25 H new ATOM 0 HB2 LEU A 68 17.247 -4.985 11.154 1.00 11.69 H new ATOM 0 HB3 LEU A 68 15.995 -5.304 9.969 1.00 11.69 H new ATOM 0 HG LEU A 68 18.322 -6.108 9.408 1.00 10.84 H new ATOM 0 HD11 LEU A 68 18.178 -5.488 7.029 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.594 -5.944 7.701 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.989 -4.228 7.438 1.00 10.70 H new ATOM 0 HD21 LEU A 68 19.883 -4.446 8.439 1.00 9.79 H new ATOM 0 HD22 LEU A 68 18.782 -3.139 8.935 1.00 9.79 H new ATOM 0 HD23 LEU A 68 19.579 -4.146 10.166 1.00 9.79 H new ATOM 1074 N GLU A 69 14.490 -3.407 8.850 1.00 12.16 N ATOM 1075 CA GLU A 69 13.626 -3.140 7.719 1.00 12.26 C ATOM 1076 C GLU A 69 13.011 -1.764 7.880 1.00 11.96 C ATOM 1077 O GLU A 69 12.705 -1.080 6.905 1.00 11.57 O ATOM 1078 CB GLU A 69 12.528 -4.208 7.599 1.00 13.61 C ATOM 1079 CG GLU A 69 11.595 -4.298 8.805 1.00 14.60 C ATOM 1080 CD GLU A 69 12.273 -4.844 10.048 1.00 15.86 C ATOM 1081 OE1 GLU A 69 12.259 -6.081 10.247 1.00 16.53 O ATOM 1082 OE2 GLU A 69 12.812 -4.041 10.834 1.00 16.24 O ATOM 0 H GLU A 69 14.097 -4.048 9.539 1.00 12.16 H new ATOM 0 HA GLU A 69 14.218 -3.172 6.804 1.00 12.26 H new ATOM 0 HB2 GLU A 69 11.933 -4.000 6.710 1.00 13.61 H new ATOM 0 HB3 GLU A 69 12.999 -5.179 7.447 1.00 13.61 H new ATOM 0 HG2 GLU A 69 11.197 -3.307 9.022 1.00 14.60 H new ATOM 0 HG3 GLU A 69 10.747 -4.934 8.553 1.00 14.60 H new ATOM 1089 N GLU A 70 12.862 -1.364 9.131 1.00 12.26 N ATOM 1090 CA GLU A 70 12.304 -0.072 9.466 1.00 12.19 C ATOM 1091 C GLU A 70 13.220 1.048 8.989 1.00 10.92 C ATOM 1092 O GLU A 70 12.769 1.991 8.348 1.00 10.57 O ATOM 1093 CB GLU A 70 12.089 0.014 10.972 1.00 13.06 C ATOM 1094 CG GLU A 70 11.429 -1.226 11.546 1.00 14.21 C ATOM 1095 CD GLU A 70 11.073 -1.078 13.004 1.00 15.02 C ATOM 1096 OE1 GLU A 70 9.987 -0.536 13.301 1.00 15.56 O ATOM 1097 OE2 GLU A 70 11.875 -1.509 13.859 1.00 15.23 O ATOM 0 H GLU A 70 13.125 -1.927 9.940 1.00 12.26 H new ATOM 0 HA GLU A 70 11.344 0.043 8.962 1.00 12.19 H new ATOM 0 HB2 GLU A 70 13.050 0.168 11.463 1.00 13.06 H new ATOM 0 HB3 GLU A 70 11.473 0.885 11.197 1.00 13.06 H new ATOM 0 HG2 GLU A 70 10.526 -1.448 10.977 1.00 14.21 H new ATOM 0 HG3 GLU A 70 12.099 -2.077 11.425 1.00 14.21 H new ATOM 1104 N MET A 71 14.515 0.928 9.276 1.00 10.30 N ATOM 1105 CA MET A 71 15.475 1.942 8.845 1.00 9.14 C ATOM 1106 C MET A 71 15.643 1.901 7.331 1.00 8.31 C ATOM 1107 O MET A 71 15.944 2.910 6.702 1.00 7.58 O ATOM 1108 CB MET A 71 16.837 1.767 9.536 1.00 8.85 C ATOM 1109 CG MET A 71 17.539 0.457 9.216 1.00 8.69 C ATOM 1110 SD MET A 71 19.235 0.405 9.833 1.00 8.41 S ATOM 1111 CE MET A 71 18.982 0.737 11.575 1.00 8.50 C ATOM 0 H MET A 71 14.919 0.150 9.798 1.00 10.30 H new ATOM 0 HA MET A 71 15.079 2.915 9.135 1.00 9.14 H new ATOM 0 HB2 MET A 71 17.486 2.593 9.247 1.00 8.85 H new ATOM 0 HB3 MET A 71 16.695 1.835 10.615 1.00 8.85 H new ATOM 0 HG2 MET A 71 16.974 -0.368 9.649 1.00 8.69 H new ATOM 0 HG3 MET A 71 17.545 0.307 8.136 1.00 8.69 H new ATOM 0 HE1 MET A 71 19.884 0.478 12.129 1.00 8.50 H new ATOM 0 HE2 MET A 71 18.761 1.795 11.715 1.00 8.50 H new ATOM 0 HE3 MET A 71 18.147 0.140 11.942 1.00 8.50 H new ATOM 1121 N MET A 72 15.429 0.726 6.751 1.00 8.67 N ATOM 1122 CA MET A 72 15.494 0.574 5.307 1.00 8.32 C ATOM 1123 C MET A 72 14.315 1.283 4.658 1.00 8.63 C ATOM 1124 O MET A 72 14.469 1.984 3.659 1.00 8.10 O ATOM 1125 CB MET A 72 15.502 -0.908 4.928 1.00 9.08 C ATOM 1126 CG MET A 72 15.657 -1.159 3.435 1.00 9.10 C ATOM 1127 SD MET A 72 15.719 -2.915 3.028 1.00 10.28 S ATOM 1128 CE MET A 72 14.087 -3.450 3.542 1.00 11.15 C ATOM 0 H MET A 72 15.210 -0.131 7.258 1.00 8.67 H new ATOM 0 HA MET A 72 16.418 1.025 4.945 1.00 8.32 H new ATOM 0 HB2 MET A 72 16.316 -1.404 5.457 1.00 9.08 H new ATOM 0 HB3 MET A 72 14.574 -1.366 5.270 1.00 9.08 H new ATOM 0 HG2 MET A 72 14.825 -0.696 2.904 1.00 9.10 H new ATOM 0 HG3 MET A 72 16.568 -0.676 3.082 1.00 9.10 H new ATOM 0 HE1 MET A 72 13.751 -4.263 2.899 1.00 11.15 H new ATOM 0 HE2 MET A 72 14.126 -3.797 4.575 1.00 11.15 H new ATOM 0 HE3 MET A 72 13.390 -2.616 3.466 1.00 11.15 H new ATOM 1138 N THR A 73 13.146 1.109 5.254 1.00 9.62 N ATOM 1139 CA THR A 73 11.930 1.755 4.781 1.00 10.09 C ATOM 1140 C THR A 73 11.992 3.261 5.035 1.00 9.53 C ATOM 1141 O THR A 73 11.478 4.060 4.251 1.00 9.49 O ATOM 1142 CB THR A 73 10.685 1.162 5.478 1.00 11.37 C ATOM 1143 OG1 THR A 73 10.675 -0.266 5.327 1.00 12.02 O ATOM 1144 CG2 THR A 73 9.403 1.740 4.899 1.00 11.93 C ATOM 0 H THR A 73 13.013 0.519 6.075 1.00 9.62 H new ATOM 0 HA THR A 73 11.850 1.575 3.709 1.00 10.09 H new ATOM 0 HB THR A 73 10.735 1.422 6.535 1.00 11.37 H new ATOM 0 HG1 THR A 73 11.291 -0.668 5.975 1.00 12.02 H new ATOM 0 HG21 THR A 73 8.544 1.304 5.409 1.00 11.93 H new ATOM 0 HG22 THR A 73 9.396 2.821 5.037 1.00 11.93 H new ATOM 0 HG23 THR A 73 9.348 1.510 3.835 1.00 11.93 H new ATOM 1152 N ALA A 74 12.650 3.639 6.129 1.00 9.27 N ATOM 1153 CA ALA A 74 12.834 5.040 6.481 1.00 9.02 C ATOM 1154 C ALA A 74 13.589 5.785 5.387 1.00 8.01 C ATOM 1155 O ALA A 74 13.323 6.958 5.115 1.00 8.00 O ATOM 1156 CB ALA A 74 13.579 5.150 7.801 1.00 9.32 C ATOM 0 H ALA A 74 13.067 2.985 6.791 1.00 9.27 H new ATOM 0 HA ALA A 74 11.851 5.499 6.585 1.00 9.02 H new ATOM 0 HB1 ALA A 74 13.712 6.201 8.057 1.00 9.32 H new ATOM 0 HB2 ALA A 74 13.005 4.656 8.585 1.00 9.32 H new ATOM 0 HB3 ALA A 74 14.554 4.672 7.709 1.00 9.32 H new ATOM 1162 N CYS A 75 14.525 5.093 4.757 1.00 7.31 N ATOM 1163 CA CYS A 75 15.325 5.681 3.696 1.00 6.51 C ATOM 1164 C CYS A 75 14.736 5.372 2.321 1.00 6.63 C ATOM 1165 O CYS A 75 15.240 5.838 1.298 1.00 6.46 O ATOM 1166 CB CYS A 75 16.760 5.179 3.794 1.00 5.86 C ATOM 1167 SG CYS A 75 17.546 5.552 5.376 1.00 6.16 S ATOM 0 H CYS A 75 14.749 4.120 4.964 1.00 7.31 H new ATOM 0 HA CYS A 75 15.318 6.764 3.818 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.771 4.100 3.637 1.00 5.86 H new ATOM 0 HB3 CYS A 75 17.348 5.624 2.991 1.00 5.86 H new ATOM 0 HG CYS A 75 18.597 6.291 5.175 1.00 6.16 H new ATOM 1173 N GLN A 76 13.682 4.571 2.288 1.00 7.27 N ATOM 1174 CA GLN A 76 12.936 4.371 1.062 1.00 7.76 C ATOM 1175 C GLN A 76 11.990 5.540 0.859 1.00 8.19 C ATOM 1176 O GLN A 76 11.062 5.741 1.642 1.00 8.73 O ATOM 1177 CB GLN A 76 12.157 3.057 1.102 1.00 8.60 C ATOM 1178 CG GLN A 76 13.025 1.828 0.902 1.00 9.19 C ATOM 1179 CD GLN A 76 12.241 0.535 1.011 1.00 10.10 C ATOM 1180 OE1 GLN A 76 11.282 0.441 1.772 1.00 10.49 O ATOM 1181 NE2 GLN A 76 12.624 -0.458 0.226 1.00 10.66 N ATOM 0 H GLN A 76 13.328 4.053 3.092 1.00 7.27 H new ATOM 0 HA GLN A 76 13.635 4.316 0.227 1.00 7.76 H new ATOM 0 HB2 GLN A 76 11.645 2.977 2.061 1.00 8.60 H new ATOM 0 HB3 GLN A 76 11.387 3.077 0.330 1.00 8.60 H new ATOM 0 HG2 GLN A 76 13.500 1.879 -0.078 1.00 9.19 H new ATOM 0 HG3 GLN A 76 13.824 1.828 1.644 1.00 9.19 H new ATOM 0 HE21 GLN A 76 13.427 -0.339 -0.392 1.00 10.66 H new ATOM 0 HE22 GLN A 76 12.117 -1.343 0.239 1.00 10.66 H new ATOM 1190 N GLY A 77 12.231 6.309 -0.194 1.00 8.13 N ATOM 1191 CA GLY A 77 11.462 7.508 -0.422 1.00 8.58 C ATOM 1192 C GLY A 77 11.661 8.513 0.692 1.00 8.30 C ATOM 1193 O GLY A 77 10.748 8.764 1.474 1.00 8.85 O ATOM 0 H GLY A 77 12.948 6.120 -0.894 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.754 7.954 -1.373 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.405 7.254 -0.500 1.00 8.58 H new ATOM 1197 N VAL A 78 12.870 9.067 0.774 1.00 7.65 N ATOM 1198 CA VAL A 78 13.211 10.036 1.815 1.00 7.69 C ATOM 1199 C VAL A 78 12.264 11.231 1.770 1.00 8.18 C ATOM 1200 O VAL A 78 12.380 12.095 0.901 1.00 8.24 O ATOM 1201 CB VAL A 78 14.667 10.531 1.667 1.00 7.30 C ATOM 1202 CG1 VAL A 78 15.042 11.468 2.808 1.00 7.56 C ATOM 1203 CG2 VAL A 78 15.634 9.356 1.603 1.00 7.23 C ATOM 0 H VAL A 78 13.633 8.860 0.129 1.00 7.65 H new ATOM 0 HA VAL A 78 13.110 9.530 2.775 1.00 7.69 H new ATOM 0 HB VAL A 78 14.738 11.086 0.732 1.00 7.30 H new ATOM 0 HG11 VAL A 78 16.072 11.802 2.681 1.00 7.56 H new ATOM 0 HG12 VAL A 78 14.377 12.331 2.803 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.946 10.941 3.758 1.00 7.56 H new ATOM 0 HG21 VAL A 78 16.653 9.729 1.499 1.00 7.23 H new ATOM 0 HG22 VAL A 78 15.554 8.769 2.518 1.00 7.23 H new ATOM 0 HG23 VAL A 78 15.388 8.728 0.746 1.00 7.23 H new