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 Single : A 12 GLN : amide:sc= 1.62 K(o=1.6,f=-6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 173:sc= 1.15 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 75:sc= 0.005 USER MOD Single : A 33 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.51) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.896 K(o=-0.9,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.688 X(o=-0.69,f=-1.2) USER MOD Single : A 43 THR OG1 : rot -150:sc= -1.01 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.173 K(o=0.17,f=-0.93) USER MOD Single : A 52 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.2) USER MOD Single : A 55 CYS SG : rot -113:sc= -2.31! USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= 1.31 (180deg=0.938) USER MOD Single : A 57 THR OG1 : rot 99:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0102) USER MOD Single : A 71 MET CE :methyl 176:sc= -1.31 (180deg=-1.4) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.253 (180deg=-0.659) USER MOD Single : A 73 THR OG1 : rot 79:sc= 0.781 USER MOD Single : A 75 CYS SG : rot 87:sc= -0.615 USER MOD Single : A 76 GLN :FLIP amide:sc= -2.59 F(o=-3.4!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 31.009 0.820 -5.982 1.00 10.57 N ATOM 130 CA ASP A 9 30.748 1.877 -6.960 1.00 10.51 C ATOM 131 C ASP A 9 29.255 2.160 -7.156 1.00 9.48 C ATOM 132 O ASP A 9 28.847 2.671 -8.200 1.00 9.50 O ATOM 133 CB ASP A 9 31.429 1.582 -8.311 1.00 11.48 C ATOM 134 CG ASP A 9 30.975 0.294 -8.975 1.00 12.16 C ATOM 135 OD1 ASP A 9 29.987 0.336 -9.742 1.00 12.46 O ATOM 136 OD2 ASP A 9 31.573 -0.771 -8.706 1.00 12.54 O ATOM 0 HA ASP A 9 31.188 2.783 -6.542 1.00 10.51 H new ATOM 0 HB2 ASP A 9 31.238 2.413 -8.990 1.00 11.48 H new ATOM 0 HB3 ASP A 9 32.507 1.537 -8.158 1.00 11.48 H new ATOM 141 N ILE A 10 28.438 1.852 -6.153 1.00 8.74 N ATOM 142 CA ILE A 10 27.034 2.263 -6.188 1.00 7.86 C ATOM 143 C ILE A 10 26.902 3.622 -5.500 1.00 7.43 C ATOM 144 O ILE A 10 27.676 3.929 -4.595 1.00 6.73 O ATOM 145 CB ILE A 10 26.067 1.231 -5.522 1.00 7.25 C ATOM 146 CG1 ILE A 10 25.926 1.445 -4.002 1.00 7.42 C ATOM 147 CG2 ILE A 10 26.518 -0.194 -5.810 1.00 7.55 C ATOM 148 CD1 ILE A 10 27.199 1.261 -3.206 1.00 7.84 C ATOM 0 H ILE A 10 28.714 1.330 -5.321 1.00 8.74 H new ATOM 0 HA ILE A 10 26.738 2.324 -7.235 1.00 7.86 H new ATOM 0 HB ILE A 10 25.084 1.395 -5.965 1.00 7.25 H new ATOM 0 HG12 ILE A 10 25.549 2.452 -3.826 1.00 7.42 H new ATOM 0 HG13 ILE A 10 25.175 0.753 -3.622 1.00 7.42 H new ATOM 0 HG21 ILE A 10 25.831 -0.896 -5.337 1.00 7.55 H new ATOM 0 HG22 ILE A 10 26.525 -0.363 -6.887 1.00 7.55 H new ATOM 0 HG23 ILE A 10 27.522 -0.345 -5.413 1.00 7.55 H new ATOM 0 HD11 ILE A 10 26.995 1.433 -2.149 1.00 7.84 H new ATOM 0 HD12 ILE A 10 27.570 0.245 -3.343 1.00 7.84 H new ATOM 0 HD13 ILE A 10 27.950 1.972 -3.551 1.00 7.84 H new ATOM 160 N ARG A 11 25.988 4.465 -5.957 1.00 8.07 N ATOM 161 CA ARG A 11 25.728 5.716 -5.261 1.00 7.96 C ATOM 162 C ARG A 11 24.242 6.040 -5.246 1.00 7.79 C ATOM 163 O ARG A 11 23.466 5.510 -6.046 1.00 8.29 O ATOM 164 CB ARG A 11 26.480 6.874 -5.905 1.00 9.08 C ATOM 165 CG ARG A 11 25.898 7.295 -7.237 1.00 9.98 C ATOM 166 CD ARG A 11 26.182 8.754 -7.516 1.00 10.66 C ATOM 167 NE ARG A 11 25.620 9.627 -6.478 1.00 11.50 N ATOM 168 CZ ARG A 11 26.067 10.853 -6.207 1.00 12.34 C ATOM 169 NH1 ARG A 11 27.104 11.352 -6.872 1.00 12.46 N ATOM 170 NH2 ARG A 11 25.476 11.579 -5.263 1.00 13.19 N ATOM 0 H ARG A 11 25.423 4.310 -6.792 1.00 8.07 H new ATOM 0 HA ARG A 11 26.078 5.586 -4.237 1.00 7.96 H new ATOM 0 HB2 ARG A 11 26.471 7.727 -5.226 1.00 9.08 H new ATOM 0 HB3 ARG A 11 27.523 6.589 -6.045 1.00 9.08 H new ATOM 0 HG2 ARG A 11 26.319 6.680 -8.032 1.00 9.98 H new ATOM 0 HG3 ARG A 11 24.822 7.124 -7.238 1.00 9.98 H new ATOM 0 HD2 ARG A 11 27.259 8.909 -7.578 1.00 10.66 H new ATOM 0 HD3 ARG A 11 25.765 9.027 -8.485 1.00 10.66 H new ATOM 0 HE ARG A 11 24.837 9.272 -5.929 1.00 11.50 H new ATOM 0 HH11 ARG A 11 27.562 10.796 -7.594 1.00 12.46 H new ATOM 0 HH12 ARG A 11 27.442 12.291 -6.660 1.00 12.46 H new ATOM 0 HH21 ARG A 11 24.682 11.197 -4.748 1.00 13.19 H new ATOM 0 HH22 ARG A 11 25.816 12.518 -5.054 1.00 13.19 H new ATOM 184 N GLN A 12 23.858 6.927 -4.343 1.00 7.29 N ATOM 185 CA GLN A 12 22.485 7.396 -4.269 1.00 7.16 C ATOM 186 C GLN A 12 22.429 8.871 -4.645 1.00 7.82 C ATOM 187 O GLN A 12 23.284 9.661 -4.228 1.00 8.10 O ATOM 188 CB GLN A 12 21.911 7.177 -2.865 1.00 6.33 C ATOM 189 CG GLN A 12 20.434 7.531 -2.751 1.00 6.44 C ATOM 190 CD GLN A 12 19.856 7.245 -1.378 1.00 6.33 C ATOM 191 OE1 GLN A 12 20.566 7.275 -0.375 1.00 6.37 O ATOM 192 NE2 GLN A 12 18.558 6.985 -1.323 1.00 6.60 N ATOM 0 H GLN A 12 24.481 7.338 -3.648 1.00 7.29 H new ATOM 0 HA GLN A 12 21.878 6.825 -4.972 1.00 7.16 H new ATOM 0 HB2 GLN A 12 22.049 6.133 -2.583 1.00 6.33 H new ATOM 0 HB3 GLN A 12 22.476 7.777 -2.152 1.00 6.33 H new ATOM 0 HG2 GLN A 12 20.301 8.588 -2.981 1.00 6.44 H new ATOM 0 HG3 GLN A 12 19.874 6.969 -3.498 1.00 6.44 H new ATOM 0 HE21 GLN A 12 18.004 6.970 -2.179 1.00 6.60 H new ATOM 0 HE22 GLN A 12 18.113 6.800 -0.424 1.00 6.60 H new ATOM 201 N GLY A 13 21.451 9.226 -5.463 1.00 8.30 N ATOM 202 CA GLY A 13 21.287 10.603 -5.878 1.00 9.01 C ATOM 203 C GLY A 13 20.370 11.381 -4.954 1.00 8.63 C ATOM 204 O GLY A 13 20.285 11.078 -3.764 1.00 7.84 O ATOM 0 H GLY A 13 20.763 8.580 -5.850 1.00 8.30 H new ATOM 0 HA2 GLY A 13 22.262 11.088 -5.910 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.885 10.629 -6.891 1.00 9.01 H new ATOM 208 N PRO A 14 19.664 12.393 -5.480 1.00 9.33 N ATOM 209 CA PRO A 14 18.770 13.239 -4.684 1.00 9.17 C ATOM 210 C PRO A 14 17.535 12.493 -4.184 1.00 8.90 C ATOM 211 O PRO A 14 17.363 12.281 -2.983 1.00 8.50 O ATOM 212 CB PRO A 14 18.351 14.353 -5.660 1.00 10.25 C ATOM 213 CG PRO A 14 19.286 14.247 -6.817 1.00 10.91 C ATOM 214 CD PRO A 14 19.693 12.806 -6.889 1.00 10.46 C ATOM 0 HA PRO A 14 19.269 13.601 -3.785 1.00 9.17 H new ATOM 0 HB2 PRO A 14 17.317 14.225 -5.979 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.421 15.333 -5.189 1.00 10.25 H new ATOM 0 HG2 PRO A 14 18.801 14.562 -7.741 1.00 10.91 H new ATOM 0 HG3 PRO A 14 20.154 14.891 -6.677 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.004 12.220 -7.497 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.684 12.686 -7.326 1.00 10.46 H new ATOM 222 N LYS A 15 16.680 12.093 -5.114 1.00 9.36 N ATOM 223 CA LYS A 15 15.418 11.455 -4.775 1.00 9.53 C ATOM 224 C LYS A 15 15.453 9.973 -5.114 1.00 9.20 C ATOM 225 O LYS A 15 14.415 9.314 -5.166 1.00 9.66 O ATOM 226 CB LYS A 15 14.287 12.125 -5.545 1.00 10.67 C ATOM 227 CG LYS A 15 14.432 11.980 -7.050 1.00 11.41 C ATOM 228 CD LYS A 15 13.260 12.597 -7.774 1.00 12.05 C ATOM 229 CE LYS A 15 13.276 12.254 -9.253 1.00 12.96 C ATOM 230 NZ LYS A 15 12.025 12.680 -9.933 1.00 13.55 N ATOM 0 H LYS A 15 16.840 12.200 -6.116 1.00 9.36 H new ATOM 0 HA LYS A 15 15.252 11.562 -3.703 1.00 9.53 H new ATOM 0 HB2 LYS A 15 13.336 11.693 -5.233 1.00 10.67 H new ATOM 0 HB3 LYS A 15 14.256 13.184 -5.288 1.00 10.67 H new ATOM 0 HG2 LYS A 15 15.356 12.457 -7.376 1.00 11.41 H new ATOM 0 HG3 LYS A 15 14.509 10.924 -7.310 1.00 11.41 H new ATOM 0 HD2 LYS A 15 12.330 12.245 -7.328 1.00 12.05 H new ATOM 0 HD3 LYS A 15 13.284 13.680 -7.650 1.00 12.05 H new ATOM 0 HE2 LYS A 15 14.130 12.736 -9.728 1.00 12.96 H new ATOM 0 HE3 LYS A 15 13.408 11.179 -9.375 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 12.075 12.428 -10.941 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 11.212 12.201 -9.496 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 11.912 13.709 -9.839 1.00 13.55 H new ATOM 244 N GLU A 16 16.656 9.471 -5.371 1.00 8.57 N ATOM 245 CA GLU A 16 16.859 8.066 -5.703 1.00 8.39 C ATOM 246 C GLU A 16 16.201 7.163 -4.666 1.00 7.72 C ATOM 247 O GLU A 16 16.544 7.218 -3.481 1.00 6.94 O ATOM 248 CB GLU A 16 18.353 7.740 -5.766 1.00 8.10 C ATOM 249 CG GLU A 16 18.655 6.354 -6.321 1.00 8.26 C ATOM 250 CD GLU A 16 18.485 6.293 -7.825 1.00 9.36 C ATOM 251 OE1 GLU A 16 17.327 6.253 -8.292 1.00 9.85 O ATOM 252 OE2 GLU A 16 19.502 6.257 -8.544 1.00 9.91 O ATOM 0 H GLU A 16 17.513 10.023 -5.355 1.00 8.57 H new ATOM 0 HA GLU A 16 16.404 7.888 -6.677 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.853 8.486 -6.384 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.776 7.821 -4.765 1.00 8.10 H new ATOM 0 HG2 GLU A 16 19.676 6.074 -6.060 1.00 8.26 H new ATOM 0 HG3 GLU A 16 17.995 5.624 -5.852 1.00 8.26 H new ATOM 259 N PRO A 17 15.234 6.337 -5.095 1.00 8.28 N ATOM 260 CA PRO A 17 14.597 5.361 -4.218 1.00 8.07 C ATOM 261 C PRO A 17 15.638 4.467 -3.563 1.00 7.31 C ATOM 262 O PRO A 17 16.445 3.838 -4.245 1.00 7.39 O ATOM 263 CB PRO A 17 13.712 4.543 -5.163 1.00 9.21 C ATOM 264 CG PRO A 17 13.465 5.437 -6.327 1.00 9.95 C ATOM 265 CD PRO A 17 14.693 6.291 -6.465 1.00 9.45 C ATOM 0 HA PRO A 17 14.037 5.827 -3.407 1.00 8.07 H new ATOM 0 HB2 PRO A 17 14.208 3.622 -5.470 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.778 4.256 -4.680 1.00 9.21 H new ATOM 0 HG2 PRO A 17 13.290 4.857 -7.233 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.579 6.051 -6.165 1.00 9.95 H new ATOM 0 HD2 PRO A 17 15.407 5.857 -7.165 1.00 9.45 H new ATOM 0 HD3 PRO A 17 14.450 7.287 -6.835 1.00 9.45 H new ATOM 273 N PHE A 18 15.628 4.428 -2.238 1.00 6.75 N ATOM 274 CA PHE A 18 16.609 3.658 -1.493 1.00 6.11 C ATOM 275 C PHE A 18 16.519 2.181 -1.859 1.00 6.56 C ATOM 276 O PHE A 18 17.513 1.466 -1.820 1.00 6.14 O ATOM 277 CB PHE A 18 16.410 3.853 0.012 1.00 6.14 C ATOM 278 CG PHE A 18 17.580 3.394 0.835 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.526 2.196 1.528 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.732 4.156 0.915 1.00 5.83 C ATOM 281 CE1 PHE A 18 18.598 1.767 2.284 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.808 3.735 1.670 1.00 6.04 C ATOM 283 CZ PHE A 18 19.742 2.553 2.363 1.00 6.38 C ATOM 0 H PHE A 18 14.950 4.922 -1.658 1.00 6.75 H new ATOM 0 HA PHE A 18 17.604 4.016 -1.758 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.227 4.909 0.213 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.519 3.309 0.326 1.00 6.14 H new ATOM 0 HD1 PHE A 18 16.634 1.590 1.476 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.790 5.092 0.380 1.00 5.83 H new ATOM 0 HE1 PHE A 18 18.548 0.826 2.811 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.703 4.337 1.715 1.00 6.04 H new ATOM 0 HZ PHE A 18 20.577 2.234 2.969 1.00 6.38 H new ATOM 293 N ARG A 19 15.325 1.735 -2.246 1.00 7.57 N ATOM 294 CA ARG A 19 15.132 0.352 -2.663 1.00 8.30 C ATOM 295 C ARG A 19 15.842 0.083 -3.986 1.00 8.53 C ATOM 296 O ARG A 19 16.179 -1.055 -4.297 1.00 8.98 O ATOM 297 CB ARG A 19 13.641 0.014 -2.787 1.00 9.53 C ATOM 298 CG ARG A 19 12.922 0.736 -3.917 1.00 10.28 C ATOM 299 CD ARG A 19 11.497 0.228 -4.073 1.00 11.35 C ATOM 300 NE ARG A 19 11.460 -1.211 -4.328 1.00 12.03 N ATOM 301 CZ ARG A 19 10.393 -1.983 -4.121 1.00 13.02 C ATOM 302 NH1 ARG A 19 9.262 -1.455 -3.669 1.00 13.43 N ATOM 303 NH2 ARG A 19 10.459 -3.283 -4.373 1.00 13.72 N ATOM 0 H ARG A 19 14.483 2.309 -2.279 1.00 7.57 H new ATOM 0 HA ARG A 19 15.566 -0.289 -1.895 1.00 8.30 H new ATOM 0 HB2 ARG A 19 13.536 -1.061 -2.935 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.147 0.256 -1.846 1.00 9.53 H new ATOM 0 HG2 ARG A 19 12.909 1.808 -3.718 1.00 10.28 H new ATOM 0 HG3 ARG A 19 13.467 0.591 -4.850 1.00 10.28 H new ATOM 0 HD2 ARG A 19 10.930 0.452 -3.169 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.011 0.755 -4.894 1.00 11.35 H new ATOM 0 HE ARG A 19 12.306 -1.653 -4.688 1.00 12.03 H new ATOM 0 HH11 ARG A 19 9.207 -0.454 -3.479 1.00 13.43 H new ATOM 0 HH12 ARG A 19 8.448 -2.050 -3.512 1.00 13.43 H new ATOM 0 HH21 ARG A 19 11.325 -3.691 -4.725 1.00 13.72 H new ATOM 0 HH22 ARG A 19 9.644 -3.875 -4.215 1.00 13.72 H new ATOM 317 N ASP A 20 16.078 1.140 -4.759 1.00 8.44 N ATOM 318 CA ASP A 20 16.782 1.015 -6.028 1.00 9.01 C ATOM 319 C ASP A 20 18.279 1.142 -5.794 1.00 8.27 C ATOM 320 O ASP A 20 19.083 0.429 -6.396 1.00 8.68 O ATOM 321 CB ASP A 20 16.322 2.090 -7.011 1.00 9.59 C ATOM 322 CG ASP A 20 16.925 1.901 -8.390 1.00 10.55 C ATOM 323 OD1 ASP A 20 16.243 1.347 -9.272 1.00 11.24 O ATOM 324 OD2 ASP A 20 18.086 2.313 -8.597 1.00 10.78 O ATOM 0 H ASP A 20 15.791 2.091 -4.527 1.00 8.44 H new ATOM 0 HA ASP A 20 16.558 0.038 -6.455 1.00 9.01 H new ATOM 0 HB2 ASP A 20 15.235 2.070 -7.086 1.00 9.59 H new ATOM 0 HB3 ASP A 20 16.597 3.072 -6.627 1.00 9.59 H new ATOM 329 N TYR A 21 18.639 2.063 -4.905 1.00 7.30 N ATOM 330 CA TYR A 21 20.016 2.213 -4.456 1.00 6.73 C ATOM 331 C TYR A 21 20.528 0.888 -3.903 1.00 6.19 C ATOM 332 O TYR A 21 21.655 0.474 -4.168 1.00 6.24 O ATOM 333 CB TYR A 21 20.097 3.301 -3.383 1.00 6.06 C ATOM 334 CG TYR A 21 21.447 3.408 -2.714 1.00 5.92 C ATOM 335 CD1 TYR A 21 22.576 3.755 -3.440 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.593 3.170 -1.353 1.00 6.13 C ATOM 337 CE1 TYR A 21 23.810 3.863 -2.833 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.826 3.274 -0.739 1.00 6.47 C ATOM 339 CZ TYR A 21 23.932 3.620 -1.486 1.00 6.60 C ATOM 340 OH TYR A 21 25.162 3.732 -0.881 1.00 7.29 O ATOM 0 H TYR A 21 17.987 2.722 -4.479 1.00 7.30 H new ATOM 0 HA TYR A 21 20.639 2.505 -5.301 1.00 6.73 H new ATOM 0 HB2 TYR A 21 19.851 4.262 -3.835 1.00 6.06 H new ATOM 0 HB3 TYR A 21 19.341 3.103 -2.623 1.00 6.06 H new ATOM 0 HD1 TYR A 21 22.488 3.944 -4.500 1.00 6.01 H new ATOM 0 HD2 TYR A 21 20.728 2.899 -0.765 1.00 6.13 H new ATOM 0 HE1 TYR A 21 24.678 4.138 -3.415 1.00 6.36 H new ATOM 0 HE2 TYR A 21 22.923 3.085 0.320 1.00 6.47 H new ATOM 0 HH TYR A 21 25.059 3.642 0.089 1.00 7.29 H new ATOM 350 N VAL A 22 19.667 0.222 -3.159 1.00 5.96 N ATOM 351 CA VAL A 22 19.990 -1.082 -2.592 1.00 5.81 C ATOM 352 C VAL A 22 19.916 -2.159 -3.668 1.00 6.77 C ATOM 353 O VAL A 22 20.704 -3.099 -3.673 1.00 6.77 O ATOM 354 CB VAL A 22 19.050 -1.440 -1.417 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.238 -2.884 -0.973 1.00 6.61 C ATOM 356 CG2 VAL A 22 19.292 -0.502 -0.246 1.00 5.41 C ATOM 0 H VAL A 22 18.733 0.561 -2.930 1.00 5.96 H new ATOM 0 HA VAL A 22 21.007 -1.031 -2.204 1.00 5.81 H new ATOM 0 HB VAL A 22 18.024 -1.325 -1.766 1.00 5.93 H new ATOM 0 HG11 VAL A 22 18.562 -3.101 -0.146 1.00 6.61 H new ATOM 0 HG12 VAL A 22 19.019 -3.552 -1.806 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.268 -3.034 -0.649 1.00 6.61 H new ATOM 0 HG21 VAL A 22 18.624 -0.765 0.574 1.00 5.41 H new ATOM 0 HG22 VAL A 22 20.327 -0.593 0.085 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.099 0.525 -0.556 1.00 5.41 H new ATOM 366 N ASP A 23 18.976 -1.997 -4.589 1.00 7.71 N ATOM 367 CA ASP A 23 18.796 -2.938 -5.692 1.00 8.82 C ATOM 368 C ASP A 23 20.087 -3.133 -6.480 1.00 8.87 C ATOM 369 O ASP A 23 20.504 -4.265 -6.726 1.00 9.30 O ATOM 370 CB ASP A 23 17.688 -2.452 -6.627 1.00 9.88 C ATOM 371 CG ASP A 23 17.637 -3.220 -7.931 1.00 11.09 C ATOM 372 OD1 ASP A 23 18.043 -2.655 -8.967 1.00 11.57 O ATOM 373 OD2 ASP A 23 17.188 -4.382 -7.932 1.00 11.68 O ATOM 0 H ASP A 23 18.320 -1.216 -4.596 1.00 7.71 H new ATOM 0 HA ASP A 23 18.514 -3.899 -5.262 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.727 -2.542 -6.121 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.838 -1.394 -6.840 1.00 9.88 H new ATOM 378 N ARG A 24 20.735 -2.030 -6.845 1.00 8.57 N ATOM 379 CA ARG A 24 21.936 -2.091 -7.670 1.00 8.91 C ATOM 380 C ARG A 24 23.091 -2.662 -6.856 1.00 8.10 C ATOM 381 O ARG A 24 23.933 -3.398 -7.370 1.00 8.53 O ATOM 382 CB ARG A 24 22.288 -0.697 -8.209 1.00 9.20 C ATOM 383 CG ARG A 24 22.716 0.290 -7.135 1.00 9.35 C ATOM 384 CD ARG A 24 22.048 1.644 -7.303 1.00 9.42 C ATOM 385 NE ARG A 24 22.388 2.280 -8.573 1.00 10.13 N ATOM 386 CZ ARG A 24 21.738 3.326 -9.077 1.00 10.62 C ATOM 387 NH1 ARG A 24 20.656 3.791 -8.466 1.00 10.53 N ATOM 388 NH2 ARG A 24 22.157 3.887 -10.204 1.00 11.36 N ATOM 0 H ARG A 24 20.449 -1.087 -6.583 1.00 8.57 H new ATOM 0 HA ARG A 24 21.750 -2.745 -8.522 1.00 8.91 H new ATOM 0 HB2 ARG A 24 23.090 -0.793 -8.940 1.00 9.20 H new ATOM 0 HB3 ARG A 24 21.423 -0.293 -8.736 1.00 9.20 H new ATOM 0 HG2 ARG A 24 22.471 -0.115 -6.153 1.00 9.35 H new ATOM 0 HG3 ARG A 24 23.798 0.414 -7.168 1.00 9.35 H new ATOM 0 HD2 ARG A 24 20.967 1.523 -7.239 1.00 9.42 H new ATOM 0 HD3 ARG A 24 22.345 2.297 -6.482 1.00 9.42 H new ATOM 0 HE ARG A 24 23.170 1.900 -9.105 1.00 10.13 H new ATOM 0 HH11 ARG A 24 20.323 3.347 -7.610 1.00 10.53 H new ATOM 0 HH12 ARG A 24 20.157 4.593 -8.852 1.00 10.53 H new ATOM 0 HH21 ARG A 24 22.977 3.516 -10.684 1.00 11.36 H new ATOM 0 HH22 ARG A 24 21.659 4.689 -10.590 1.00 11.36 H new ATOM 402 N PHE A 25 23.094 -2.326 -5.577 1.00 7.02 N ATOM 403 CA PHE A 25 24.076 -2.819 -4.634 1.00 6.32 C ATOM 404 C PHE A 25 23.951 -4.327 -4.440 1.00 6.59 C ATOM 405 O PHE A 25 24.944 -5.051 -4.434 1.00 6.62 O ATOM 406 CB PHE A 25 23.858 -2.100 -3.303 1.00 5.33 C ATOM 407 CG PHE A 25 24.775 -2.535 -2.198 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.005 -1.930 -2.020 1.00 4.85 C ATOM 409 CD2 PHE A 25 24.396 -3.547 -1.329 1.00 5.26 C ATOM 410 CE1 PHE A 25 26.842 -2.322 -0.996 1.00 4.99 C ATOM 411 CE2 PHE A 25 25.230 -3.945 -0.307 1.00 5.43 C ATOM 412 CZ PHE A 25 26.452 -3.332 -0.139 1.00 5.29 C ATOM 0 H PHE A 25 22.406 -1.697 -5.163 1.00 7.02 H new ATOM 0 HA PHE A 25 25.077 -2.622 -5.018 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.983 -1.029 -3.460 1.00 5.33 H new ATOM 0 HB3 PHE A 25 22.827 -2.258 -2.985 1.00 5.33 H new ATOM 0 HD1 PHE A 25 26.314 -1.142 -2.690 1.00 4.85 H new ATOM 0 HD2 PHE A 25 23.437 -4.028 -1.455 1.00 5.26 H new ATOM 0 HE1 PHE A 25 27.800 -1.840 -0.865 1.00 4.99 H new ATOM 0 HE2 PHE A 25 24.926 -4.737 0.362 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.105 -3.641 0.663 1.00 5.29 H new ATOM 422 N TYR A 26 22.722 -4.795 -4.317 1.00 7.06 N ATOM 423 CA TYR A 26 22.463 -6.162 -3.903 1.00 7.60 C ATOM 424 C TYR A 26 22.525 -7.109 -5.092 1.00 8.54 C ATOM 425 O TYR A 26 22.862 -8.285 -4.949 1.00 8.87 O ATOM 426 CB TYR A 26 21.095 -6.248 -3.220 1.00 8.10 C ATOM 427 CG TYR A 26 20.856 -7.548 -2.487 1.00 8.84 C ATOM 428 CD1 TYR A 26 20.035 -8.528 -3.028 1.00 9.57 C ATOM 429 CD2 TYR A 26 21.451 -7.797 -1.258 1.00 9.04 C ATOM 430 CE1 TYR A 26 19.811 -9.720 -2.365 1.00 10.37 C ATOM 431 CE2 TYR A 26 21.234 -8.985 -0.590 1.00 9.88 C ATOM 432 CZ TYR A 26 20.422 -9.935 -1.131 1.00 10.50 C ATOM 433 OH TYR A 26 20.187 -11.127 -0.478 1.00 11.44 O ATOM 0 H TYR A 26 21.883 -4.244 -4.499 1.00 7.06 H new ATOM 0 HA TYR A 26 23.234 -6.463 -3.193 1.00 7.60 H new ATOM 0 HB2 TYR A 26 20.999 -5.422 -2.515 1.00 8.10 H new ATOM 0 HB3 TYR A 26 20.316 -6.118 -3.971 1.00 8.10 H new ATOM 0 HD1 TYR A 26 19.563 -8.356 -3.984 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.094 -7.049 -0.818 1.00 9.04 H new ATOM 0 HE1 TYR A 26 19.171 -10.475 -2.798 1.00 10.37 H new ATOM 0 HE2 TYR A 26 21.709 -9.162 0.364 1.00 9.88 H new ATOM 0 HH TYR A 26 20.679 -11.138 0.370 1.00 11.44 H new ATOM 443 N LYS A 27 22.220 -6.586 -6.269 1.00 9.08 N ATOM 444 CA LYS A 27 22.175 -7.406 -7.466 1.00 10.12 C ATOM 445 C LYS A 27 23.581 -7.807 -7.902 1.00 10.01 C ATOM 446 O LYS A 27 23.788 -8.905 -8.418 1.00 10.69 O ATOM 447 CB LYS A 27 21.427 -6.675 -8.584 1.00 10.87 C ATOM 448 CG LYS A 27 22.221 -5.573 -9.273 1.00 11.19 C ATOM 449 CD LYS A 27 21.377 -4.847 -10.312 1.00 12.15 C ATOM 450 CE LYS A 27 20.940 -5.776 -11.437 1.00 12.87 C ATOM 451 NZ LYS A 27 19.972 -5.120 -12.352 1.00 13.47 N ATOM 0 H LYS A 27 22.001 -5.601 -6.419 1.00 9.08 H new ATOM 0 HA LYS A 27 21.630 -8.322 -7.241 1.00 10.12 H new ATOM 0 HB2 LYS A 27 21.120 -7.405 -9.333 1.00 10.87 H new ATOM 0 HB3 LYS A 27 20.517 -6.242 -8.169 1.00 10.87 H new ATOM 0 HG2 LYS A 27 22.578 -4.860 -8.529 1.00 11.19 H new ATOM 0 HG3 LYS A 27 23.101 -6.002 -9.752 1.00 11.19 H new ATOM 0 HD2 LYS A 27 20.497 -4.420 -9.831 1.00 12.15 H new ATOM 0 HD3 LYS A 27 21.948 -4.017 -10.728 1.00 12.15 H new ATOM 0 HE2 LYS A 27 21.814 -6.097 -12.003 1.00 12.87 H new ATOM 0 HE3 LYS A 27 20.488 -6.673 -11.013 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 19.699 -5.785 -13.104 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 19.126 -4.836 -11.817 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 20.411 -4.279 -12.777 1.00 13.47 H new ATOM 465 N THR A 28 24.547 -6.930 -7.678 1.00 9.28 N ATOM 466 CA THR A 28 25.932 -7.254 -7.967 1.00 9.35 C ATOM 467 C THR A 28 26.545 -8.001 -6.783 1.00 8.90 C ATOM 468 O THR A 28 27.446 -8.826 -6.952 1.00 9.29 O ATOM 469 CB THR A 28 26.759 -5.989 -8.300 1.00 9.07 C ATOM 470 OG1 THR A 28 28.105 -6.346 -8.628 1.00 9.27 O ATOM 471 CG2 THR A 28 26.769 -5.003 -7.140 1.00 8.30 C ATOM 0 H THR A 28 24.398 -5.995 -7.299 1.00 9.28 H new ATOM 0 HA THR A 28 25.954 -7.895 -8.848 1.00 9.35 H new ATOM 0 HB THR A 28 26.286 -5.509 -9.157 1.00 9.07 H new ATOM 0 HG1 THR A 28 28.129 -6.743 -9.524 1.00 9.27 H new ATOM 0 HG21 THR A 28 27.359 -4.128 -7.411 1.00 8.30 H new ATOM 0 HG22 THR A 28 25.748 -4.696 -6.915 1.00 8.30 H new ATOM 0 HG23 THR A 28 27.207 -5.478 -6.262 1.00 8.30 H new ATOM 479 N LEU A 29 26.002 -7.738 -5.593 1.00 8.24 N ATOM 480 CA LEU A 29 26.481 -8.347 -4.354 1.00 8.03 C ATOM 481 C LEU A 29 26.376 -9.866 -4.422 1.00 8.87 C ATOM 482 O LEU A 29 27.246 -10.586 -3.937 1.00 9.09 O ATOM 483 CB LEU A 29 25.657 -7.821 -3.167 1.00 7.48 C ATOM 484 CG LEU A 29 26.057 -8.343 -1.781 1.00 7.10 C ATOM 485 CD1 LEU A 29 27.446 -7.871 -1.408 1.00 6.93 C ATOM 486 CD2 LEU A 29 25.062 -7.888 -0.727 1.00 6.99 C ATOM 0 H LEU A 29 25.219 -7.098 -5.463 1.00 8.24 H new ATOM 0 HA LEU A 29 27.529 -8.080 -4.219 1.00 8.03 H new ATOM 0 HB2 LEU A 29 25.727 -6.733 -3.157 1.00 7.48 H new ATOM 0 HB3 LEU A 29 24.610 -8.072 -3.339 1.00 7.48 H new ATOM 0 HG LEU A 29 26.055 -9.432 -1.823 1.00 7.10 H new ATOM 0 HD11 LEU A 29 27.708 -8.254 -0.421 1.00 6.93 H new ATOM 0 HD12 LEU A 29 28.164 -8.238 -2.142 1.00 6.93 H new ATOM 0 HD13 LEU A 29 27.468 -6.781 -1.392 1.00 6.93 H new ATOM 0 HD21 LEU A 29 25.365 -8.269 0.248 1.00 6.99 H new ATOM 0 HD22 LEU A 29 25.035 -6.799 -0.698 1.00 6.99 H new ATOM 0 HD23 LEU A 29 24.071 -8.269 -0.974 1.00 6.99 H new ATOM 498 N ARG A 30 25.307 -10.337 -5.039 1.00 9.50 N ATOM 499 CA ARG A 30 25.002 -11.759 -5.066 1.00 10.45 C ATOM 500 C ARG A 30 25.758 -12.507 -6.155 1.00 10.98 C ATOM 501 O ARG A 30 26.112 -13.669 -5.987 1.00 11.61 O ATOM 502 CB ARG A 30 23.501 -11.955 -5.254 1.00 11.14 C ATOM 503 CG ARG A 30 22.989 -11.505 -6.614 1.00 11.16 C ATOM 504 CD ARG A 30 21.480 -11.636 -6.727 1.00 11.94 C ATOM 505 NE ARG A 30 20.999 -11.165 -8.023 1.00 12.66 N ATOM 506 CZ ARG A 30 19.741 -10.802 -8.270 1.00 13.44 C ATOM 507 NH1 ARG A 30 18.811 -10.925 -7.328 1.00 13.60 N ATOM 508 NH2 ARG A 30 19.409 -10.336 -9.468 1.00 14.19 N ATOM 0 H ARG A 30 24.631 -9.753 -5.531 1.00 9.50 H new ATOM 0 HA ARG A 30 25.325 -12.175 -4.112 1.00 10.45 H new ATOM 0 HB2 ARG A 30 23.262 -13.010 -5.117 1.00 11.14 H new ATOM 0 HB3 ARG A 30 22.972 -11.404 -4.476 1.00 11.14 H new ATOM 0 HG2 ARG A 30 23.276 -10.467 -6.784 1.00 11.16 H new ATOM 0 HG3 ARG A 30 23.464 -12.099 -7.395 1.00 11.16 H new ATOM 0 HD2 ARG A 30 21.192 -12.678 -6.587 1.00 11.94 H new ATOM 0 HD3 ARG A 30 21.003 -11.064 -5.931 1.00 11.94 H new ATOM 0 HE ARG A 30 21.670 -11.110 -8.789 1.00 12.66 H new ATOM 0 HH11 ARG A 30 19.059 -11.298 -6.412 1.00 13.60 H new ATOM 0 HH12 ARG A 30 17.849 -10.646 -7.521 1.00 13.60 H new ATOM 0 HH21 ARG A 30 20.117 -10.256 -10.198 1.00 14.19 H new ATOM 0 HH22 ARG A 30 18.446 -10.058 -9.658 1.00 14.19 H new ATOM 522 N ALA A 31 25.996 -11.857 -7.271 1.00 10.87 N ATOM 523 CA ALA A 31 26.537 -12.562 -8.425 1.00 11.56 C ATOM 524 C ALA A 31 28.057 -12.693 -8.382 1.00 11.34 C ATOM 525 O ALA A 31 28.588 -13.804 -8.341 1.00 11.93 O ATOM 526 CB ALA A 31 26.104 -11.861 -9.704 1.00 11.84 C ATOM 0 H ALA A 31 25.830 -10.860 -7.410 1.00 10.87 H new ATOM 0 HA ALA A 31 26.136 -13.575 -8.401 1.00 11.56 H new ATOM 0 HB1 ALA A 31 26.511 -12.391 -10.565 1.00 11.84 H new ATOM 0 HB2 ALA A 31 25.016 -11.853 -9.764 1.00 11.84 H new ATOM 0 HB3 ALA A 31 26.475 -10.836 -9.701 1.00 11.84 H new ATOM 532 N GLU A 32 28.752 -11.567 -8.363 1.00 10.61 N ATOM 533 CA GLU A 32 30.211 -11.564 -8.510 1.00 10.60 C ATOM 534 C GLU A 32 30.936 -11.581 -7.167 1.00 10.54 C ATOM 535 O GLU A 32 32.045 -11.061 -7.047 1.00 10.89 O ATOM 536 CB GLU A 32 30.668 -10.379 -9.359 1.00 10.22 C ATOM 537 CG GLU A 32 30.179 -9.036 -8.857 1.00 9.56 C ATOM 538 CD GLU A 32 30.679 -7.896 -9.711 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.749 -7.333 -9.398 1.00 9.47 O ATOM 540 OE2 GLU A 32 30.007 -7.557 -10.709 1.00 9.62 O ATOM 0 H GLU A 32 28.337 -10.642 -8.248 1.00 10.61 H new ATOM 0 HA GLU A 32 30.478 -12.487 -9.024 1.00 10.60 H new ATOM 0 HB2 GLU A 32 31.757 -10.368 -9.392 1.00 10.22 H new ATOM 0 HB3 GLU A 32 30.319 -10.522 -10.382 1.00 10.22 H new ATOM 0 HG2 GLU A 32 29.089 -9.029 -8.845 1.00 9.56 H new ATOM 0 HG3 GLU A 32 30.510 -8.891 -7.829 1.00 9.56 H new ATOM 547 N GLN A 33 30.307 -12.180 -6.170 1.00 10.31 N ATOM 548 CA GLN A 33 30.812 -12.162 -4.797 1.00 10.45 C ATOM 549 C GLN A 33 32.067 -13.041 -4.619 1.00 10.39 C ATOM 550 O GLN A 33 32.024 -14.090 -3.975 1.00 10.09 O ATOM 551 CB GLN A 33 29.689 -12.613 -3.861 1.00 10.44 C ATOM 552 CG GLN A 33 29.164 -14.017 -4.151 1.00 10.76 C ATOM 553 CD GLN A 33 27.833 -14.319 -3.482 1.00 11.12 C ATOM 554 OE1 GLN A 33 27.082 -15.184 -3.935 1.00 11.23 O ATOM 555 NE2 GLN A 33 27.506 -13.592 -2.430 1.00 11.52 N ATOM 0 H GLN A 33 29.433 -12.693 -6.283 1.00 10.31 H new ATOM 0 HA GLN A 33 31.120 -11.145 -4.552 1.00 10.45 H new ATOM 0 HB2 GLN A 33 30.050 -12.577 -2.833 1.00 10.44 H new ATOM 0 HB3 GLN A 33 28.863 -11.905 -3.934 1.00 10.44 H new ATOM 0 HG2 GLN A 33 29.056 -14.140 -5.229 1.00 10.76 H new ATOM 0 HG3 GLN A 33 29.902 -14.748 -3.819 1.00 10.76 H new ATOM 0 HE21 GLN A 33 28.151 -12.883 -2.079 1.00 11.52 H new ATOM 0 HE22 GLN A 33 26.609 -13.739 -1.968 1.00 11.52 H new ATOM 564 N ALA A 34 33.189 -12.604 -5.181 1.00 10.90 N ATOM 565 CA ALA A 34 34.405 -13.410 -5.168 1.00 11.19 C ATOM 566 C ALA A 34 35.230 -13.215 -3.895 1.00 11.09 C ATOM 567 O ALA A 34 35.389 -14.141 -3.104 1.00 11.27 O ATOM 568 CB ALA A 34 35.248 -13.104 -6.398 1.00 11.97 C ATOM 0 H ALA A 34 33.282 -11.702 -5.648 1.00 10.90 H new ATOM 0 HA ALA A 34 34.097 -14.455 -5.186 1.00 11.19 H new ATOM 0 HB1 ALA A 34 36.153 -13.711 -6.379 1.00 11.97 H new ATOM 0 HB2 ALA A 34 34.676 -13.334 -7.297 1.00 11.97 H new ATOM 0 HB3 ALA A 34 35.519 -12.048 -6.400 1.00 11.97 H new ATOM 574 N SER A 35 35.751 -12.010 -3.702 1.00 11.05 N ATOM 575 CA SER A 35 36.649 -11.726 -2.580 1.00 11.21 C ATOM 576 C SER A 35 35.880 -11.390 -1.302 1.00 10.64 C ATOM 577 O SER A 35 35.989 -10.284 -0.781 1.00 10.19 O ATOM 578 CB SER A 35 37.580 -10.575 -2.958 1.00 11.48 C ATOM 579 OG SER A 35 38.222 -10.840 -4.195 1.00 12.02 O ATOM 0 H SER A 35 35.569 -11.209 -4.307 1.00 11.05 H new ATOM 0 HA SER A 35 37.233 -12.624 -2.376 1.00 11.21 H new ATOM 0 HB2 SER A 35 37.011 -9.648 -3.028 1.00 11.48 H new ATOM 0 HB3 SER A 35 38.327 -10.432 -2.177 1.00 11.48 H new ATOM 0 HG SER A 35 38.813 -10.093 -4.423 1.00 12.02 H new ATOM 585 N GLN A 36 35.152 -12.369 -0.777 1.00 10.85 N ATOM 586 CA GLN A 36 34.241 -12.156 0.351 1.00 10.51 C ATOM 587 C GLN A 36 34.877 -11.396 1.517 1.00 10.66 C ATOM 588 O GLN A 36 34.287 -10.451 2.028 1.00 10.26 O ATOM 589 CB GLN A 36 33.682 -13.489 0.864 1.00 11.11 C ATOM 590 CG GLN A 36 34.724 -14.465 1.407 1.00 11.25 C ATOM 591 CD GLN A 36 35.463 -15.215 0.319 1.00 11.80 C ATOM 592 OE1 GLN A 36 34.909 -15.499 -0.741 1.00 12.14 O ATOM 593 NE2 GLN A 36 36.716 -15.544 0.574 1.00 12.09 N ATOM 0 H GLN A 36 35.173 -13.331 -1.117 1.00 10.85 H new ATOM 0 HA GLN A 36 33.435 -11.536 -0.040 1.00 10.51 H new ATOM 0 HB2 GLN A 36 32.957 -13.282 1.651 1.00 11.11 H new ATOM 0 HB3 GLN A 36 33.141 -13.975 0.052 1.00 11.11 H new ATOM 0 HG2 GLN A 36 35.444 -13.917 2.015 1.00 11.25 H new ATOM 0 HG3 GLN A 36 34.233 -15.182 2.064 1.00 11.25 H new ATOM 0 HE21 GLN A 36 37.139 -15.289 1.467 1.00 12.09 H new ATOM 0 HE22 GLN A 36 37.261 -16.053 -0.122 1.00 12.09 H new ATOM 602 N GLU A 37 36.078 -11.797 1.907 1.00 11.37 N ATOM 603 CA GLU A 37 36.694 -11.342 3.146 1.00 11.85 C ATOM 604 C GLU A 37 36.671 -9.822 3.331 1.00 11.40 C ATOM 605 O GLU A 37 36.110 -9.320 4.304 1.00 11.56 O ATOM 606 CB GLU A 37 38.124 -11.869 3.212 1.00 12.76 C ATOM 607 CG GLU A 37 38.993 -11.118 4.186 1.00 12.82 C ATOM 608 CD GLU A 37 40.256 -11.870 4.539 1.00 13.79 C ATOM 609 OE1 GLU A 37 41.141 -11.996 3.668 1.00 14.44 O ATOM 610 OE2 GLU A 37 40.377 -12.329 5.693 1.00 13.98 O ATOM 0 H GLU A 37 36.654 -12.448 1.373 1.00 11.37 H new ATOM 0 HA GLU A 37 36.097 -11.742 3.966 1.00 11.85 H new ATOM 0 HB2 GLU A 37 38.103 -12.922 3.492 1.00 12.76 H new ATOM 0 HB3 GLU A 37 38.571 -11.812 2.219 1.00 12.76 H new ATOM 0 HG2 GLU A 37 39.258 -10.151 3.759 1.00 12.82 H new ATOM 0 HG3 GLU A 37 38.426 -10.921 5.096 1.00 12.82 H new ATOM 617 N VAL A 38 37.254 -9.089 2.403 1.00 11.01 N ATOM 618 CA VAL A 38 37.389 -7.648 2.568 1.00 10.78 C ATOM 619 C VAL A 38 36.115 -6.934 2.150 1.00 9.91 C ATOM 620 O VAL A 38 35.813 -5.835 2.623 1.00 9.82 O ATOM 621 CB VAL A 38 38.591 -7.101 1.771 1.00 10.99 C ATOM 622 CG1 VAL A 38 38.676 -5.584 1.858 1.00 11.05 C ATOM 623 CG2 VAL A 38 39.872 -7.722 2.286 1.00 11.61 C ATOM 0 H VAL A 38 37.639 -9.459 1.534 1.00 11.01 H new ATOM 0 HA VAL A 38 37.567 -7.456 3.626 1.00 10.78 H new ATOM 0 HB VAL A 38 38.450 -7.367 0.723 1.00 10.99 H new ATOM 0 HG11 VAL A 38 39.535 -5.234 1.285 1.00 11.05 H new ATOM 0 HG12 VAL A 38 37.765 -5.145 1.452 1.00 11.05 H new ATOM 0 HG13 VAL A 38 38.789 -5.285 2.900 1.00 11.05 H new ATOM 0 HG21 VAL A 38 40.718 -7.333 1.720 1.00 11.61 H new ATOM 0 HG22 VAL A 38 39.997 -7.477 3.341 1.00 11.61 H new ATOM 0 HG23 VAL A 38 39.824 -8.805 2.169 1.00 11.61 H new ATOM 633 N LYS A 39 35.345 -7.580 1.300 1.00 9.40 N ATOM 634 CA LYS A 39 34.167 -6.945 0.740 1.00 8.62 C ATOM 635 C LYS A 39 33.009 -6.996 1.728 1.00 8.49 C ATOM 636 O LYS A 39 32.228 -6.058 1.807 1.00 8.00 O ATOM 637 CB LYS A 39 33.765 -7.599 -0.579 1.00 8.48 C ATOM 638 CG LYS A 39 34.912 -7.803 -1.554 1.00 8.87 C ATOM 639 CD LYS A 39 35.680 -6.530 -1.846 1.00 8.96 C ATOM 640 CE LYS A 39 36.844 -6.820 -2.778 1.00 9.53 C ATOM 641 NZ LYS A 39 37.676 -5.616 -3.033 1.00 9.78 N ATOM 0 H LYS A 39 35.510 -8.535 0.983 1.00 9.40 H new ATOM 0 HA LYS A 39 34.413 -5.902 0.542 1.00 8.62 H new ATOM 0 HB2 LYS A 39 33.308 -8.566 -0.367 1.00 8.48 H new ATOM 0 HB3 LYS A 39 33.002 -6.985 -1.058 1.00 8.48 H new ATOM 0 HG2 LYS A 39 35.597 -8.548 -1.149 1.00 8.87 H new ATOM 0 HG3 LYS A 39 34.519 -8.205 -2.488 1.00 8.87 H new ATOM 0 HD2 LYS A 39 35.017 -5.793 -2.299 1.00 8.96 H new ATOM 0 HD3 LYS A 39 36.049 -6.098 -0.916 1.00 8.96 H new ATOM 0 HE2 LYS A 39 37.466 -7.604 -2.346 1.00 9.53 H new ATOM 0 HE3 LYS A 39 36.462 -7.202 -3.725 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 38.457 -5.863 -3.674 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 37.091 -4.876 -3.470 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 38.064 -5.265 -2.134 1.00 9.78 H new ATOM 655 N ASN A 40 32.915 -8.091 2.487 1.00 9.12 N ATOM 656 CA ASN A 40 31.880 -8.246 3.516 1.00 9.38 C ATOM 657 C ASN A 40 31.896 -7.081 4.498 1.00 9.55 C ATOM 658 O ASN A 40 30.849 -6.648 4.985 1.00 9.39 O ATOM 659 CB ASN A 40 32.063 -9.552 4.297 1.00 10.35 C ATOM 660 CG ASN A 40 31.728 -10.792 3.492 1.00 10.85 C ATOM 661 OD1 ASN A 40 30.892 -10.763 2.587 1.00 10.92 O ATOM 662 ND2 ASN A 40 32.373 -11.897 3.825 1.00 11.43 N ATOM 0 H ASN A 40 33.546 -8.888 2.408 1.00 9.12 H new ATOM 0 HA ASN A 40 30.922 -8.267 2.996 1.00 9.38 H new ATOM 0 HB2 ASN A 40 33.096 -9.619 4.639 1.00 10.35 H new ATOM 0 HB3 ASN A 40 31.433 -9.525 5.186 1.00 10.35 H new ATOM 0 HD21 ASN A 40 32.186 -12.767 3.326 1.00 11.43 H new ATOM 0 HD22 ASN A 40 33.058 -11.880 4.580 1.00 11.43 H new ATOM 669 N ALA A 41 33.088 -6.586 4.797 1.00 10.04 N ATOM 670 CA ALA A 41 33.235 -5.454 5.696 1.00 10.52 C ATOM 671 C ALA A 41 32.753 -4.178 5.018 1.00 9.85 C ATOM 672 O ALA A 41 32.256 -3.260 5.670 1.00 10.08 O ATOM 673 CB ALA A 41 34.683 -5.312 6.138 1.00 11.43 C ATOM 0 H ALA A 41 33.967 -6.951 4.430 1.00 10.04 H new ATOM 0 HA ALA A 41 32.623 -5.628 6.581 1.00 10.52 H new ATOM 0 HB1 ALA A 41 34.776 -4.460 6.811 1.00 11.43 H new ATOM 0 HB2 ALA A 41 34.996 -6.219 6.656 1.00 11.43 H new ATOM 0 HB3 ALA A 41 35.316 -5.156 5.265 1.00 11.43 H new ATOM 679 N ALA A 42 32.886 -4.143 3.699 1.00 9.19 N ATOM 680 CA ALA A 42 32.457 -2.996 2.914 1.00 8.71 C ATOM 681 C ALA A 42 30.939 -2.983 2.756 1.00 7.86 C ATOM 682 O ALA A 42 30.322 -1.928 2.766 1.00 7.82 O ATOM 683 CB ALA A 42 33.135 -3.007 1.552 1.00 8.58 C ATOM 0 H ALA A 42 33.290 -4.901 3.149 1.00 9.19 H new ATOM 0 HA ALA A 42 32.750 -2.089 3.443 1.00 8.71 H new ATOM 0 HB1 ALA A 42 32.805 -2.143 0.974 1.00 8.58 H new ATOM 0 HB2 ALA A 42 34.216 -2.964 1.683 1.00 8.58 H new ATOM 0 HB3 ALA A 42 32.870 -3.921 1.021 1.00 8.58 H new ATOM 689 N THR A 43 30.352 -4.167 2.652 1.00 7.35 N ATOM 690 CA THR A 43 28.924 -4.349 2.423 1.00 6.63 C ATOM 691 C THR A 43 28.072 -3.493 3.362 1.00 6.87 C ATOM 692 O THR A 43 27.050 -2.933 2.964 1.00 6.42 O ATOM 693 CB THR A 43 28.559 -5.831 2.632 1.00 6.60 C ATOM 694 OG1 THR A 43 29.624 -6.656 2.160 1.00 6.93 O ATOM 695 CG2 THR A 43 27.293 -6.198 1.892 1.00 6.92 C ATOM 0 H THR A 43 30.864 -5.046 2.726 1.00 7.35 H new ATOM 0 HA THR A 43 28.714 -4.036 1.400 1.00 6.63 H new ATOM 0 HB THR A 43 28.397 -5.989 3.698 1.00 6.60 H new ATOM 0 HG1 THR A 43 29.261 -7.510 1.843 1.00 6.93 H new ATOM 0 HG21 THR A 43 27.065 -7.250 2.061 1.00 6.92 H new ATOM 0 HG22 THR A 43 26.468 -5.585 2.255 1.00 6.92 H new ATOM 0 HG23 THR A 43 27.432 -6.024 0.825 1.00 6.92 H new ATOM 703 N GLU A 44 28.507 -3.393 4.605 1.00 7.76 N ATOM 704 CA GLU A 44 27.759 -2.678 5.624 1.00 8.32 C ATOM 705 C GLU A 44 28.040 -1.180 5.577 1.00 8.48 C ATOM 706 O GLU A 44 27.126 -0.358 5.668 1.00 8.35 O ATOM 707 CB GLU A 44 28.117 -3.232 6.996 1.00 9.53 C ATOM 708 CG GLU A 44 27.814 -4.710 7.141 1.00 10.03 C ATOM 709 CD GLU A 44 27.941 -5.197 8.569 1.00 11.07 C ATOM 710 OE1 GLU A 44 28.929 -5.898 8.871 1.00 11.69 O ATOM 711 OE2 GLU A 44 27.053 -4.884 9.392 1.00 11.42 O ATOM 0 H GLU A 44 29.381 -3.801 4.935 1.00 7.76 H new ATOM 0 HA GLU A 44 26.696 -2.822 5.432 1.00 8.32 H new ATOM 0 HB2 GLU A 44 29.178 -3.065 7.182 1.00 9.53 H new ATOM 0 HB3 GLU A 44 27.569 -2.679 7.758 1.00 9.53 H new ATOM 0 HG2 GLU A 44 26.803 -4.906 6.784 1.00 10.03 H new ATOM 0 HG3 GLU A 44 28.493 -5.279 6.506 1.00 10.03 H new ATOM 718 N THR A 45 29.301 -0.832 5.415 1.00 8.95 N ATOM 719 CA THR A 45 29.723 0.557 5.503 1.00 9.49 C ATOM 720 C THR A 45 29.537 1.282 4.172 1.00 8.79 C ATOM 721 O THR A 45 29.442 2.505 4.133 1.00 9.04 O ATOM 722 CB THR A 45 31.195 0.675 5.963 1.00 10.61 C ATOM 723 OG1 THR A 45 31.557 2.053 6.128 1.00 11.34 O ATOM 724 CG2 THR A 45 32.138 0.019 4.966 1.00 11.01 C ATOM 0 H THR A 45 30.055 -1.491 5.221 1.00 8.95 H new ATOM 0 HA THR A 45 29.088 1.033 6.250 1.00 9.49 H new ATOM 0 HB THR A 45 31.285 0.158 6.918 1.00 10.61 H new ATOM 0 HG1 THR A 45 32.490 2.113 6.421 1.00 11.34 H new ATOM 0 HG21 THR A 45 33.165 0.118 5.317 1.00 11.01 H new ATOM 0 HG22 THR A 45 31.888 -1.038 4.870 1.00 11.01 H new ATOM 0 HG23 THR A 45 32.038 0.505 3.996 1.00 11.01 H new ATOM 732 N LEU A 46 29.486 0.525 3.089 1.00 8.07 N ATOM 733 CA LEU A 46 29.360 1.097 1.758 1.00 7.71 C ATOM 734 C LEU A 46 27.945 1.591 1.515 1.00 6.77 C ATOM 735 O LEU A 46 27.745 2.636 0.894 1.00 6.93 O ATOM 736 CB LEU A 46 29.744 0.063 0.701 1.00 7.55 C ATOM 737 CG LEU A 46 30.916 0.455 -0.197 1.00 7.70 C ATOM 738 CD1 LEU A 46 30.574 1.685 -1.020 1.00 7.76 C ATOM 739 CD2 LEU A 46 32.159 0.710 0.642 1.00 8.22 C ATOM 0 H LEU A 46 29.530 -0.494 3.106 1.00 8.07 H new ATOM 0 HA LEU A 46 30.038 1.947 1.686 1.00 7.71 H new ATOM 0 HB2 LEU A 46 29.989 -0.873 1.203 1.00 7.55 H new ATOM 0 HB3 LEU A 46 28.875 -0.131 0.073 1.00 7.55 H new ATOM 0 HG LEU A 46 31.117 -0.370 -0.881 1.00 7.70 H new ATOM 0 HD11 LEU A 46 31.422 1.947 -1.652 1.00 7.76 H new ATOM 0 HD12 LEU A 46 29.706 1.475 -1.645 1.00 7.76 H new ATOM 0 HD13 LEU A 46 30.348 2.517 -0.354 1.00 7.76 H new ATOM 0 HD21 LEU A 46 32.987 0.988 -0.010 1.00 8.22 H new ATOM 0 HD22 LEU A 46 31.963 1.519 1.346 1.00 8.22 H new ATOM 0 HD23 LEU A 46 32.419 -0.195 1.192 1.00 8.22 H new ATOM 751 N LEU A 47 26.969 0.839 2.013 1.00 5.99 N ATOM 752 CA LEU A 47 25.567 1.239 1.895 1.00 5.15 C ATOM 753 C LEU A 47 25.338 2.645 2.449 1.00 5.48 C ATOM 754 O LEU A 47 24.648 3.449 1.835 1.00 5.21 O ATOM 755 CB LEU A 47 24.645 0.243 2.603 1.00 4.73 C ATOM 756 CG LEU A 47 24.280 -0.997 1.784 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.467 -1.966 2.626 1.00 4.20 C ATOM 758 CD2 LEU A 47 23.500 -0.603 0.535 1.00 4.34 C ATOM 0 H LEU A 47 27.119 -0.045 2.499 1.00 5.99 H new ATOM 0 HA LEU A 47 25.325 1.244 0.832 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.125 -0.079 3.527 1.00 4.73 H new ATOM 0 HB3 LEU A 47 23.726 0.758 2.883 1.00 4.73 H new ATOM 0 HG LEU A 47 25.203 -1.489 1.476 1.00 4.22 H new ATOM 0 HD11 LEU A 47 23.215 -2.843 2.030 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.051 -2.273 3.494 1.00 4.20 H new ATOM 0 HD13 LEU A 47 22.551 -1.478 2.959 1.00 4.20 H new ATOM 0 HD21 LEU A 47 23.249 -1.498 -0.035 1.00 4.34 H new ATOM 0 HD22 LEU A 47 22.584 -0.089 0.825 1.00 4.34 H new ATOM 0 HD23 LEU A 47 24.109 0.060 -0.080 1.00 4.34 H new ATOM 770 N VAL A 48 25.921 2.940 3.601 1.00 6.32 N ATOM 771 CA VAL A 48 25.779 4.267 4.194 1.00 6.92 C ATOM 772 C VAL A 48 26.763 5.267 3.589 1.00 7.62 C ATOM 773 O VAL A 48 26.505 6.465 3.567 1.00 7.93 O ATOM 774 CB VAL A 48 25.956 4.238 5.727 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.804 3.496 6.381 1.00 7.84 C ATOM 776 CG2 VAL A 48 27.283 3.607 6.118 1.00 8.67 C ATOM 0 H VAL A 48 26.491 2.289 4.141 1.00 6.32 H new ATOM 0 HA VAL A 48 24.763 4.591 3.967 1.00 6.92 H new ATOM 0 HB VAL A 48 25.957 5.268 6.083 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.945 3.485 7.462 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.866 3.997 6.142 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.773 2.472 6.009 1.00 7.84 H new ATOM 0 HG21 VAL A 48 27.377 3.602 7.204 1.00 8.67 H new ATOM 0 HG22 VAL A 48 27.323 2.584 5.745 1.00 8.67 H new ATOM 0 HG23 VAL A 48 28.101 4.183 5.686 1.00 8.67 H new ATOM 786 N GLN A 49 27.878 4.763 3.088 1.00 8.03 N ATOM 787 CA GLN A 49 28.941 5.606 2.556 1.00 8.97 C ATOM 788 C GLN A 49 28.457 6.438 1.369 1.00 8.65 C ATOM 789 O GLN A 49 28.502 7.668 1.401 1.00 9.36 O ATOM 790 CB GLN A 49 30.126 4.733 2.138 1.00 9.65 C ATOM 791 CG GLN A 49 31.363 5.517 1.742 1.00 10.72 C ATOM 792 CD GLN A 49 32.520 4.614 1.361 1.00 11.48 C ATOM 793 OE1 GLN A 49 32.688 4.259 0.193 1.00 11.55 O ATOM 794 NE2 GLN A 49 33.316 4.228 2.343 1.00 12.22 N ATOM 0 H GLN A 49 28.074 3.763 3.037 1.00 8.03 H new ATOM 0 HA GLN A 49 29.252 6.297 3.339 1.00 8.97 H new ATOM 0 HB2 GLN A 49 30.380 4.065 2.961 1.00 9.65 H new ATOM 0 HB3 GLN A 49 29.823 4.105 1.300 1.00 9.65 H new ATOM 0 HG2 GLN A 49 31.123 6.170 0.903 1.00 10.72 H new ATOM 0 HG3 GLN A 49 31.664 6.159 2.570 1.00 10.72 H new ATOM 0 HE21 GLN A 49 33.141 4.546 3.296 1.00 12.22 H new ATOM 0 HE22 GLN A 49 34.106 3.613 2.147 1.00 12.22 H new ATOM 803 N ASN A 50 27.969 5.763 0.336 1.00 7.73 N ATOM 804 CA ASN A 50 27.618 6.436 -0.916 1.00 7.72 C ATOM 805 C ASN A 50 26.143 6.802 -0.982 1.00 7.17 C ATOM 806 O ASN A 50 25.630 7.167 -2.046 1.00 7.27 O ATOM 807 CB ASN A 50 27.983 5.563 -2.113 1.00 7.34 C ATOM 808 CG ASN A 50 29.477 5.348 -2.254 1.00 7.66 C ATOM 809 OD1 ASN A 50 30.283 6.173 -1.822 1.00 8.30 O ATOM 810 ND2 ASN A 50 29.855 4.251 -2.885 1.00 7.49 N ATOM 0 H ASN A 50 27.807 4.756 0.336 1.00 7.73 H new ATOM 0 HA ASN A 50 28.192 7.362 -0.948 1.00 7.72 H new ATOM 0 HB2 ASN A 50 27.490 4.596 -2.015 1.00 7.34 H new ATOM 0 HB3 ASN A 50 27.600 6.025 -3.023 1.00 7.34 H new ATOM 0 HD21 ASN A 50 30.847 4.062 -3.030 1.00 7.49 H new ATOM 0 HD22 ASN A 50 29.155 3.593 -3.227 1.00 7.49 H new ATOM 817 N ALA A 51 25.461 6.715 0.146 1.00 6.83 N ATOM 818 CA ALA A 51 24.052 7.063 0.203 1.00 6.42 C ATOM 819 C ALA A 51 23.872 8.576 0.228 1.00 7.39 C ATOM 820 O ALA A 51 24.845 9.331 0.350 1.00 8.36 O ATOM 821 CB ALA A 51 23.395 6.436 1.420 1.00 5.86 C ATOM 0 H ALA A 51 25.859 6.407 1.033 1.00 6.83 H new ATOM 0 HA ALA A 51 23.570 6.671 -0.693 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.340 6.708 1.445 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.488 5.351 1.366 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.884 6.797 2.324 1.00 5.86 H new ATOM 827 N ASN A 52 22.628 9.012 0.098 1.00 7.23 N ATOM 828 CA ASN A 52 22.295 10.429 0.178 1.00 8.14 C ATOM 829 C ASN A 52 22.571 10.935 1.587 1.00 8.57 C ATOM 830 O ASN A 52 22.229 10.254 2.556 1.00 8.09 O ATOM 831 CB ASN A 52 20.823 10.650 -0.189 1.00 7.94 C ATOM 832 CG ASN A 52 20.427 12.116 -0.186 1.00 8.81 C ATOM 833 OD1 ASN A 52 20.056 12.673 0.850 1.00 9.40 O ATOM 834 ND2 ASN A 52 20.484 12.745 -1.350 1.00 9.07 N ATOM 0 H ASN A 52 21.827 8.402 -0.064 1.00 7.23 H new ATOM 0 HA ASN A 52 22.912 10.984 -0.529 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.633 10.230 -1.177 1.00 7.94 H new ATOM 0 HB3 ASN A 52 20.193 10.107 0.515 1.00 7.94 H new ATOM 0 HD21 ASN A 52 20.215 13.727 -1.413 1.00 9.07 H new ATOM 0 HD22 ASN A 52 20.797 12.248 -2.184 1.00 9.07 H new ATOM 841 N PRO A 53 23.227 12.105 1.717 1.00 9.68 N ATOM 842 CA PRO A 53 23.613 12.680 3.011 1.00 10.41 C ATOM 843 C PRO A 53 22.572 12.475 4.112 1.00 10.13 C ATOM 844 O PRO A 53 22.889 11.963 5.185 1.00 10.29 O ATOM 845 CB PRO A 53 23.765 14.160 2.686 1.00 11.56 C ATOM 846 CG PRO A 53 24.238 14.189 1.272 1.00 11.66 C ATOM 847 CD PRO A 53 23.664 12.964 0.597 1.00 10.51 C ATOM 0 HA PRO A 53 24.510 12.206 3.410 1.00 10.41 H new ATOM 0 HB2 PRO A 53 22.819 14.690 2.798 1.00 11.56 H new ATOM 0 HB3 PRO A 53 24.480 14.641 3.353 1.00 11.56 H new ATOM 0 HG2 PRO A 53 23.906 15.098 0.771 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.327 14.181 1.228 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.830 13.223 -0.056 1.00 10.51 H new ATOM 0 HD3 PRO A 53 24.409 12.464 -0.021 1.00 10.51 H new ATOM 855 N ASP A 54 21.328 12.836 3.827 1.00 9.86 N ATOM 856 CA ASP A 54 20.264 12.781 4.828 1.00 9.76 C ATOM 857 C ASP A 54 19.818 11.346 5.065 1.00 8.93 C ATOM 858 O ASP A 54 19.560 10.940 6.197 1.00 9.26 O ATOM 859 CB ASP A 54 19.072 13.610 4.367 1.00 9.71 C ATOM 860 CG ASP A 54 18.173 14.031 5.516 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.434 15.080 6.134 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.201 13.303 5.811 1.00 9.67 O ATOM 0 H ASP A 54 21.028 13.171 2.911 1.00 9.86 H new ATOM 0 HA ASP A 54 20.654 13.187 5.761 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.431 14.498 3.848 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.490 13.034 3.648 1.00 9.71 H new ATOM 867 N CYS A 55 19.755 10.585 3.985 1.00 8.04 N ATOM 868 CA CYS A 55 19.268 9.208 4.029 1.00 7.30 C ATOM 869 C CYS A 55 20.130 8.335 4.938 1.00 7.57 C ATOM 870 O CYS A 55 19.610 7.580 5.753 1.00 7.74 O ATOM 871 CB CYS A 55 19.215 8.617 2.618 1.00 6.46 C ATOM 872 SG CYS A 55 18.054 9.455 1.511 1.00 6.30 S ATOM 0 H CYS A 55 20.037 10.898 3.056 1.00 8.04 H new ATOM 0 HA CYS A 55 18.261 9.226 4.445 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.212 8.658 2.180 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.940 7.564 2.686 1.00 6.46 H new ATOM 0 HG CYS A 55 17.078 8.649 1.216 1.00 6.30 H new ATOM 878 N LYS A 56 21.448 8.444 4.819 1.00 7.87 N ATOM 879 CA LYS A 56 22.328 7.652 5.670 1.00 8.36 C ATOM 880 C LYS A 56 22.357 8.219 7.076 1.00 9.50 C ATOM 881 O LYS A 56 22.644 7.510 8.043 1.00 10.04 O ATOM 882 CB LYS A 56 23.737 7.571 5.088 1.00 8.58 C ATOM 883 CG LYS A 56 24.463 8.902 4.980 1.00 8.84 C ATOM 884 CD LYS A 56 25.087 9.046 3.607 1.00 8.68 C ATOM 885 CE LYS A 56 26.249 10.021 3.597 1.00 9.50 C ATOM 886 NZ LYS A 56 26.949 10.026 2.283 1.00 9.81 N ATOM 0 H LYS A 56 21.923 9.058 4.157 1.00 7.87 H new ATOM 0 HA LYS A 56 21.931 6.638 5.714 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.332 6.899 5.706 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.679 7.124 4.096 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.766 9.721 5.159 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.235 8.967 5.747 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.432 8.071 3.264 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.329 9.382 2.900 1.00 8.68 H new ATOM 0 HE2 LYS A 56 25.885 11.024 3.820 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.954 9.756 4.385 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 27.482 10.913 2.177 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.605 9.220 2.236 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 26.250 9.948 1.517 1.00 9.81 H new ATOM 900 N THR A 57 22.045 9.499 7.181 1.00 9.98 N ATOM 901 CA THR A 57 21.938 10.159 8.472 1.00 11.08 C ATOM 902 C THR A 57 20.815 9.528 9.305 1.00 11.16 C ATOM 903 O THR A 57 20.992 9.245 10.492 1.00 12.08 O ATOM 904 CB THR A 57 21.683 11.671 8.291 1.00 11.53 C ATOM 905 OG1 THR A 57 22.855 12.309 7.763 1.00 12.00 O ATOM 906 CG2 THR A 57 21.290 12.332 9.598 1.00 12.46 C ATOM 0 H THR A 57 21.860 10.106 6.382 1.00 9.98 H new ATOM 0 HA THR A 57 22.882 10.028 9.002 1.00 11.08 H new ATOM 0 HB THR A 57 20.855 11.784 7.591 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.755 12.427 6.795 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.119 13.395 9.431 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.377 11.873 9.978 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.091 12.204 10.326 1.00 12.46 H new ATOM 914 N ILE A 58 19.679 9.279 8.663 1.00 10.34 N ATOM 915 CA ILE A 58 18.518 8.719 9.350 1.00 10.60 C ATOM 916 C ILE A 58 18.590 7.196 9.452 1.00 10.65 C ATOM 917 O ILE A 58 18.063 6.622 10.399 1.00 11.46 O ATOM 918 CB ILE A 58 17.204 9.108 8.654 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.269 8.735 7.176 1.00 8.86 C ATOM 920 CG2 ILE A 58 16.934 10.597 8.828 1.00 10.22 C ATOM 921 CD1 ILE A 58 15.957 8.872 6.450 1.00 8.44 C ATOM 0 H ILE A 58 19.536 9.455 7.669 1.00 10.34 H new ATOM 0 HA ILE A 58 18.533 9.142 10.355 1.00 10.60 H new ATOM 0 HB ILE A 58 16.381 8.560 9.113 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.011 9.365 6.685 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.616 7.705 7.087 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.000 10.858 8.330 1.00 10.22 H new ATOM 0 HG22 ILE A 58 16.857 10.831 9.890 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.752 11.169 8.389 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.088 8.588 5.406 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.215 8.221 6.913 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.617 9.906 6.505 1.00 8.44 H new ATOM 933 N LEU A 59 19.240 6.553 8.476 1.00 9.90 N ATOM 934 CA LEU A 59 19.395 5.087 8.468 1.00 9.98 C ATOM 935 C LEU A 59 19.785 4.547 9.839 1.00 11.20 C ATOM 936 O LEU A 59 19.152 3.632 10.362 1.00 11.84 O ATOM 937 CB LEU A 59 20.466 4.650 7.459 1.00 9.07 C ATOM 938 CG LEU A 59 20.025 4.570 5.997 1.00 7.91 C ATOM 939 CD1 LEU A 59 21.194 4.162 5.116 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.885 3.577 5.841 1.00 7.92 C ATOM 0 H LEU A 59 19.669 7.022 7.678 1.00 9.90 H new ATOM 0 HA LEU A 59 18.424 4.680 8.185 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.304 5.344 7.526 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.839 3.670 7.758 1.00 9.07 H new ATOM 0 HG LEU A 59 19.676 5.555 5.687 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.866 4.109 4.078 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.993 4.898 5.207 1.00 7.28 H new ATOM 0 HD13 LEU A 59 21.563 3.186 5.430 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.583 3.532 4.795 1.00 7.92 H new ATOM 0 HD22 LEU A 59 19.215 2.590 6.167 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.039 3.896 6.450 1.00 7.92 H new ATOM 952 N LYS A 60 20.816 5.133 10.423 1.00 11.67 N ATOM 953 CA LYS A 60 21.340 4.664 11.697 1.00 12.90 C ATOM 954 C LYS A 60 20.475 5.128 12.863 1.00 13.86 C ATOM 955 O LYS A 60 20.511 4.543 13.943 1.00 14.91 O ATOM 956 CB LYS A 60 22.776 5.154 11.869 1.00 13.23 C ATOM 957 CG LYS A 60 22.909 6.668 11.830 1.00 13.20 C ATOM 958 CD LYS A 60 24.278 7.096 11.332 1.00 13.44 C ATOM 959 CE LYS A 60 25.398 6.595 12.235 1.00 14.35 C ATOM 960 NZ LYS A 60 25.398 7.268 13.561 1.00 14.91 N ATOM 0 H LYS A 60 21.309 5.937 10.035 1.00 11.67 H new ATOM 0 HA LYS A 60 21.325 3.574 11.695 1.00 12.90 H new ATOM 0 HB2 LYS A 60 23.165 4.787 12.819 1.00 13.23 H new ATOM 0 HB3 LYS A 60 23.395 4.722 11.083 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.139 7.085 11.181 1.00 13.20 H new ATOM 0 HG3 LYS A 60 22.740 7.074 12.827 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.431 6.717 10.321 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.319 8.184 11.274 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.294 5.519 12.376 1.00 14.35 H new ATOM 0 HE3 LYS A 60 26.358 6.761 11.746 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 26.197 6.919 14.127 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 25.490 8.295 13.429 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 24.507 7.061 14.056 1.00 14.91 H new ATOM 974 N ALA A 61 19.685 6.166 12.635 1.00 13.54 N ATOM 975 CA ALA A 61 18.838 6.721 13.678 1.00 14.41 C ATOM 976 C ALA A 61 17.573 5.888 13.851 1.00 14.65 C ATOM 977 O ALA A 61 17.135 5.634 14.973 1.00 15.64 O ATOM 978 CB ALA A 61 18.486 8.167 13.364 1.00 14.06 C ATOM 0 H ALA A 61 19.613 6.641 11.735 1.00 13.54 H new ATOM 0 HA ALA A 61 19.392 6.695 14.616 1.00 14.41 H new ATOM 0 HB1 ALA A 61 17.852 8.567 14.155 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.400 8.758 13.298 1.00 14.06 H new ATOM 0 HB3 ALA A 61 17.954 8.214 12.414 1.00 14.06 H new ATOM 984 N LEU A 62 16.997 5.448 12.741 1.00 13.84 N ATOM 985 CA LEU A 62 15.758 4.679 12.785 1.00 14.21 C ATOM 986 C LEU A 62 16.029 3.186 12.682 1.00 14.97 C ATOM 987 O LEU A 62 15.120 2.372 12.828 1.00 15.72 O ATOM 988 CB LEU A 62 14.788 5.134 11.684 1.00 13.37 C ATOM 989 CG LEU A 62 15.387 5.357 10.290 1.00 12.15 C ATOM 990 CD1 LEU A 62 15.592 4.041 9.555 1.00 11.39 C ATOM 991 CD2 LEU A 62 14.496 6.283 9.476 1.00 12.25 C ATOM 0 H LEU A 62 17.364 5.608 11.803 1.00 13.84 H new ATOM 0 HA LEU A 62 15.289 4.867 13.751 1.00 14.21 H new ATOM 0 HB2 LEU A 62 13.996 4.390 11.599 1.00 13.37 H new ATOM 0 HB3 LEU A 62 14.319 6.064 12.006 1.00 13.37 H new ATOM 0 HG LEU A 62 16.364 5.823 10.417 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.018 4.236 8.571 1.00 11.39 H new ATOM 0 HD12 LEU A 62 16.272 3.408 10.125 1.00 11.39 H new ATOM 0 HD13 LEU A 62 14.634 3.534 9.442 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.933 6.433 8.489 1.00 12.25 H new ATOM 0 HD22 LEU A 62 13.507 5.837 9.371 1.00 12.25 H new ATOM 0 HD23 LEU A 62 14.409 7.243 9.984 1.00 12.25 H new ATOM 1055 N LEU A 68 14.552 -3.899 8.004 1.00 12.22 N ATOM 1056 CA LEU A 68 15.108 -3.968 6.657 1.00 11.25 C ATOM 1057 C LEU A 68 14.302 -3.111 5.685 1.00 11.10 C ATOM 1058 O LEU A 68 14.803 -2.108 5.176 1.00 10.12 O ATOM 1059 CB LEU A 68 15.162 -5.434 6.189 1.00 11.69 C ATOM 1060 CG LEU A 68 15.999 -5.728 4.928 1.00 10.84 C ATOM 1061 CD1 LEU A 68 15.249 -5.351 3.657 1.00 10.70 C ATOM 1062 CD2 LEU A 68 17.335 -5.001 4.989 1.00 9.79 C ATOM 0 HA LEU A 68 16.122 -3.570 6.677 1.00 11.25 H new ATOM 0 HB2 LEU A 68 15.555 -6.038 7.007 1.00 11.69 H new ATOM 0 HB3 LEU A 68 14.142 -5.771 6.006 1.00 11.69 H new ATOM 0 HG LEU A 68 16.184 -6.802 4.900 1.00 10.84 H new ATOM 0 HD11 LEU A 68 15.870 -5.572 2.789 1.00 10.70 H new ATOM 0 HD12 LEU A 68 14.324 -5.924 3.597 1.00 10.70 H new ATOM 0 HD13 LEU A 68 15.016 -4.286 3.674 1.00 10.70 H new ATOM 0 HD21 LEU A 68 17.911 -5.222 4.090 1.00 9.79 H new ATOM 0 HD22 LEU A 68 17.162 -3.927 5.055 1.00 9.79 H new ATOM 0 HD23 LEU A 68 17.890 -5.333 5.866 1.00 9.79 H new ATOM 1074 N GLU A 69 13.047 -3.471 5.448 1.00 12.16 N ATOM 1075 CA GLU A 69 12.240 -2.736 4.484 1.00 12.26 C ATOM 1076 C GLU A 69 11.735 -1.451 5.113 1.00 11.96 C ATOM 1077 O GLU A 69 11.441 -0.476 4.427 1.00 11.57 O ATOM 1078 CB GLU A 69 11.065 -3.575 3.971 1.00 13.61 C ATOM 1079 CG GLU A 69 10.116 -4.046 5.058 1.00 14.60 C ATOM 1080 CD GLU A 69 8.858 -4.667 4.494 1.00 15.86 C ATOM 1081 OE1 GLU A 69 8.880 -5.865 4.154 1.00 16.53 O ATOM 1082 OE2 GLU A 69 7.834 -3.959 4.385 1.00 16.24 O ATOM 0 H GLU A 69 12.573 -4.253 5.901 1.00 12.16 H new ATOM 0 HA GLU A 69 12.870 -2.499 3.627 1.00 12.26 H new ATOM 0 HB2 GLU A 69 10.504 -2.988 3.244 1.00 13.61 H new ATOM 0 HB3 GLU A 69 11.457 -4.445 3.444 1.00 13.61 H new ATOM 0 HG2 GLU A 69 10.625 -4.773 5.691 1.00 14.60 H new ATOM 0 HG3 GLU A 69 9.848 -3.202 5.694 1.00 14.60 H new ATOM 1089 N GLU A 70 11.669 -1.461 6.432 1.00 12.26 N ATOM 1090 CA GLU A 70 11.231 -0.306 7.193 1.00 12.19 C ATOM 1091 C GLU A 70 12.206 0.853 6.998 1.00 10.92 C ATOM 1092 O GLU A 70 11.802 1.973 6.692 1.00 10.57 O ATOM 1093 CB GLU A 70 11.130 -0.672 8.672 1.00 13.06 C ATOM 1094 CG GLU A 70 10.458 -2.015 8.916 1.00 14.21 C ATOM 1095 CD GLU A 70 10.356 -2.369 10.384 1.00 15.02 C ATOM 1096 OE1 GLU A 70 9.335 -2.030 11.015 1.00 15.56 O ATOM 1097 OE2 GLU A 70 11.293 -3.001 10.915 1.00 15.23 O ATOM 0 H GLU A 70 11.917 -2.268 7.004 1.00 12.26 H new ATOM 0 HA GLU A 70 10.249 0.005 6.837 1.00 12.19 H new ATOM 0 HB2 GLU A 70 12.131 -0.691 9.103 1.00 13.06 H new ATOM 0 HB3 GLU A 70 10.572 0.105 9.194 1.00 13.06 H new ATOM 0 HG2 GLU A 70 9.458 -1.999 8.482 1.00 14.21 H new ATOM 0 HG3 GLU A 70 11.018 -2.794 8.398 1.00 14.21 H new ATOM 1104 N MET A 71 13.496 0.561 7.150 1.00 10.30 N ATOM 1105 CA MET A 71 14.541 1.569 6.982 1.00 9.14 C ATOM 1106 C MET A 71 14.734 1.900 5.510 1.00 8.31 C ATOM 1107 O MET A 71 15.172 2.994 5.159 1.00 7.58 O ATOM 1108 CB MET A 71 15.864 1.090 7.604 1.00 8.85 C ATOM 1109 CG MET A 71 16.450 -0.153 6.949 1.00 8.69 C ATOM 1110 SD MET A 71 17.839 -0.846 7.868 1.00 8.41 S ATOM 1111 CE MET A 71 19.025 0.493 7.788 1.00 8.50 C ATOM 0 H MET A 71 13.843 -0.368 7.390 1.00 10.30 H new ATOM 0 HA MET A 71 14.227 2.475 7.501 1.00 9.14 H new ATOM 0 HB2 MET A 71 16.594 1.897 7.543 1.00 8.85 H new ATOM 0 HB3 MET A 71 15.702 0.887 8.662 1.00 8.85 H new ATOM 0 HG2 MET A 71 15.670 -0.909 6.855 1.00 8.69 H new ATOM 0 HG3 MET A 71 16.777 0.095 5.939 1.00 8.69 H new ATOM 0 HE1 MET A 71 19.906 0.234 8.375 1.00 8.50 H new ATOM 0 HE2 MET A 71 19.316 0.660 6.751 1.00 8.50 H new ATOM 0 HE3 MET A 71 18.576 1.401 8.190 1.00 8.50 H new ATOM 1121 N MET A 72 14.391 0.951 4.650 1.00 8.67 N ATOM 1122 CA MET A 72 14.491 1.144 3.212 1.00 8.32 C ATOM 1123 C MET A 72 13.432 2.127 2.740 1.00 8.63 C ATOM 1124 O MET A 72 13.729 3.115 2.066 1.00 8.10 O ATOM 1125 CB MET A 72 14.326 -0.194 2.490 1.00 9.08 C ATOM 1126 CG MET A 72 14.433 -0.097 0.978 1.00 9.10 C ATOM 1127 SD MET A 72 14.120 -1.674 0.162 1.00 10.28 S ATOM 1128 CE MET A 72 15.399 -2.692 0.891 1.00 11.15 C ATOM 0 H MET A 72 14.039 0.035 4.927 1.00 8.67 H new ATOM 0 HA MET A 72 15.475 1.551 2.980 1.00 8.32 H new ATOM 0 HB2 MET A 72 15.084 -0.888 2.854 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.356 -0.618 2.749 1.00 9.08 H new ATOM 0 HG2 MET A 72 13.722 0.645 0.613 1.00 9.10 H new ATOM 0 HG3 MET A 72 15.428 0.256 0.709 1.00 9.10 H new ATOM 0 HE1 MET A 72 15.501 -3.614 0.318 1.00 11.15 H new ATOM 0 HE2 MET A 72 16.345 -2.151 0.880 1.00 11.15 H new ATOM 0 HE3 MET A 72 15.131 -2.932 1.920 1.00 11.15 H new ATOM 1138 N THR A 73 12.198 1.844 3.114 1.00 9.62 N ATOM 1139 CA THR A 73 11.067 2.699 2.787 1.00 10.09 C ATOM 1140 C THR A 73 11.230 4.079 3.423 1.00 9.53 C ATOM 1141 O THR A 73 10.865 5.098 2.835 1.00 9.49 O ATOM 1142 CB THR A 73 9.753 2.049 3.266 1.00 11.37 C ATOM 1143 OG1 THR A 73 9.610 0.760 2.657 1.00 12.02 O ATOM 1144 CG2 THR A 73 8.544 2.906 2.927 1.00 11.93 C ATOM 0 H THR A 73 11.949 1.015 3.653 1.00 9.62 H new ATOM 0 HA THR A 73 11.031 2.820 1.704 1.00 10.09 H new ATOM 0 HB THR A 73 9.802 1.952 4.351 1.00 11.37 H new ATOM 0 HG1 THR A 73 10.171 0.111 3.130 1.00 12.02 H new ATOM 0 HG21 THR A 73 7.638 2.414 3.281 1.00 11.93 H new ATOM 0 HG22 THR A 73 8.641 3.879 3.410 1.00 11.93 H new ATOM 0 HG23 THR A 73 8.485 3.041 1.847 1.00 11.93 H new ATOM 1152 N ALA A 74 11.822 4.105 4.612 1.00 9.27 N ATOM 1153 CA ALA A 74 12.016 5.343 5.352 1.00 9.02 C ATOM 1154 C ALA A 74 12.991 6.284 4.644 1.00 8.01 C ATOM 1155 O ALA A 74 12.993 7.488 4.896 1.00 8.00 O ATOM 1156 CB ALA A 74 12.514 5.026 6.751 1.00 9.32 C ATOM 0 H ALA A 74 12.178 3.275 5.086 1.00 9.27 H new ATOM 0 HA ALA A 74 11.056 5.855 5.410 1.00 9.02 H new ATOM 0 HB1 ALA A 74 12.659 5.954 7.304 1.00 9.32 H new ATOM 0 HB2 ALA A 74 11.780 4.407 7.267 1.00 9.32 H new ATOM 0 HB3 ALA A 74 13.461 4.490 6.687 1.00 9.32 H new ATOM 1162 N CYS A 75 13.811 5.735 3.754 1.00 7.31 N ATOM 1163 CA CYS A 75 14.860 6.518 3.117 1.00 6.51 C ATOM 1164 C CYS A 75 14.676 6.626 1.609 1.00 6.63 C ATOM 1165 O CYS A 75 15.574 7.088 0.902 1.00 6.46 O ATOM 1166 CB CYS A 75 16.216 5.899 3.419 1.00 5.86 C ATOM 1167 SG CYS A 75 16.548 5.715 5.183 1.00 6.16 S ATOM 0 H CYS A 75 13.769 4.759 3.460 1.00 7.31 H new ATOM 0 HA CYS A 75 14.802 7.527 3.526 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.274 4.920 2.943 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.996 6.517 2.973 1.00 5.86 H new ATOM 0 HG CYS A 75 16.073 4.578 5.598 1.00 6.16 H new ATOM 1173 N GLN A 76 13.528 6.211 1.101 1.00 7.27 N ATOM 1174 CA GLN A 76 13.278 6.326 -0.325 1.00 7.76 C ATOM 1175 C GLN A 76 12.392 7.531 -0.612 1.00 8.19 C ATOM 1176 O GLN A 76 11.248 7.602 -0.164 1.00 8.73 O ATOM 1177 CB GLN A 76 12.680 5.030 -0.897 1.00 8.60 C ATOM 1178 CG GLN A 76 11.272 4.698 -0.429 1.00 9.19 C ATOM 1179 CD GLN A 76 10.776 3.382 -0.996 1.00 10.10 C ATOM 1180 OE1 GLN A 76 9.840 2.752 -0.311 1.00 10.49 O flip ATOM 1181 NE2 GLN A 76 11.217 2.948 -2.061 1.00 10.66 N flip ATOM 0 H GLN A 76 12.768 5.799 1.642 1.00 7.27 H new ATOM 0 HA GLN A 76 14.232 6.482 -0.829 1.00 7.76 H new ATOM 0 HB2 GLN A 76 12.675 5.101 -1.985 1.00 8.60 H new ATOM 0 HB3 GLN A 76 13.337 4.200 -0.635 1.00 8.60 H new ATOM 0 HG2 GLN A 76 11.254 4.652 0.660 1.00 9.19 H new ATOM 0 HG3 GLN A 76 10.594 5.498 -0.726 1.00 9.19 H new ATOM 0 HE21 GLN A 76 11.941 3.464 -2.561 1.00 10.66 H new ATOM 0 HE22 GLN A 76 10.858 2.073 -2.443 1.00 10.66 H new ATOM 1190 N GLY A 77 12.947 8.490 -1.342 1.00 8.13 N ATOM 1191 CA GLY A 77 12.229 9.712 -1.636 1.00 8.58 C ATOM 1192 C GLY A 77 11.941 10.514 -0.385 1.00 8.30 C ATOM 1193 O GLY A 77 10.786 10.785 -0.061 1.00 8.85 O ATOM 0 H GLY A 77 13.886 8.441 -1.737 1.00 8.13 H new ATOM 0 HA2 GLY A 77 12.813 10.318 -2.329 1.00 8.58 H new ATOM 0 HA3 GLY A 77 11.291 9.470 -2.136 1.00 8.58 H new ATOM 1197 N VAL A 78 12.997 10.896 0.322 1.00 7.65 N ATOM 1198 CA VAL A 78 12.860 11.652 1.564 1.00 7.69 C ATOM 1199 C VAL A 78 12.738 13.146 1.263 1.00 8.18 C ATOM 1200 O VAL A 78 12.941 13.995 2.130 1.00 8.24 O ATOM 1201 CB VAL A 78 14.068 11.409 2.507 1.00 7.30 C ATOM 1202 CG1 VAL A 78 13.740 11.798 3.941 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.527 9.964 2.449 1.00 7.23 C ATOM 0 H VAL A 78 13.961 10.695 0.057 1.00 7.65 H new ATOM 0 HA VAL A 78 11.956 11.306 2.065 1.00 7.69 H new ATOM 0 HB VAL A 78 14.882 12.045 2.158 1.00 7.30 H new ATOM 0 HG11 VAL A 78 14.608 11.615 4.575 1.00 7.56 H new ATOM 0 HG12 VAL A 78 13.478 12.855 3.980 1.00 7.56 H new ATOM 0 HG13 VAL A 78 12.899 11.202 4.296 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.375 9.824 3.120 1.00 7.23 H new ATOM 0 HG22 VAL A 78 13.710 9.310 2.755 1.00 7.23 H new ATOM 0 HG23 VAL A 78 14.826 9.718 1.430 1.00 7.23 H new