USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=14 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 52 ASN : amide:sc= -2.53 X(o=-5.7,f=-6.1!) USER MOD Set 1.2: A 55 CYS SG : rot 180:sc= -3.19 USER MOD Single : A 12 GLN : amide:sc= -1.21 K(o=-1.2,f=-5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 141:sc= 0.316 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 35 SER OG : rot 145:sc= -1.18 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 43 THR OG1 : rot -78:sc= 0.992 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= -3! C(o=-3!,f=-5.4!) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0.453 (180deg=0.449) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 71 MET CE :methyl 147:sc= -0.0758 (180deg=-0.553) USER MOD Single : A 72 MET CE :methyl 137:sc= -0.261 (180deg=-1.3) USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 75 CYS SG : rot 78:sc= -0.67 USER MOD Single : A 76 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 29.666 3.070 -8.982 1.00 10.57 N ATOM 130 CA ASP A 9 28.894 4.312 -8.963 1.00 10.51 C ATOM 131 C ASP A 9 27.508 4.085 -8.357 1.00 9.48 C ATOM 132 O ASP A 9 26.551 4.791 -8.668 1.00 9.50 O ATOM 133 CB ASP A 9 28.785 4.888 -10.382 1.00 11.48 C ATOM 134 CG ASP A 9 28.208 6.293 -10.425 1.00 12.16 C ATOM 135 OD1 ASP A 9 27.050 6.455 -10.860 1.00 12.46 O ATOM 136 OD2 ASP A 9 28.897 7.239 -9.996 1.00 12.54 O ATOM 0 HA ASP A 9 29.415 5.034 -8.335 1.00 10.51 H new ATOM 0 HB2 ASP A 9 29.775 4.896 -10.839 1.00 11.48 H new ATOM 0 HB3 ASP A 9 28.161 4.229 -10.986 1.00 11.48 H new ATOM 141 N ILE A 10 27.405 3.088 -7.486 1.00 8.74 N ATOM 142 CA ILE A 10 26.152 2.797 -6.789 1.00 7.86 C ATOM 143 C ILE A 10 25.792 3.889 -5.771 1.00 7.43 C ATOM 144 O ILE A 10 24.869 3.730 -4.973 1.00 6.73 O ATOM 145 CB ILE A 10 26.182 1.408 -6.095 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.562 1.090 -5.496 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.782 0.325 -7.081 1.00 7.55 C ATOM 148 CD1 ILE A 10 27.985 1.995 -4.361 1.00 7.84 C ATOM 0 H ILE A 10 28.175 2.464 -7.243 1.00 8.74 H new ATOM 0 HA ILE A 10 25.377 2.778 -7.555 1.00 7.86 H new ATOM 0 HB ILE A 10 25.467 1.438 -5.273 1.00 7.25 H new ATOM 0 HG12 ILE A 10 27.559 0.060 -5.139 1.00 7.42 H new ATOM 0 HG13 ILE A 10 28.309 1.150 -6.288 1.00 7.42 H new ATOM 0 HG21 ILE A 10 25.806 -0.645 -6.585 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.774 0.521 -7.447 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.478 0.321 -7.920 1.00 7.55 H new ATOM 0 HD11 ILE A 10 28.970 1.694 -4.004 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.026 3.026 -4.713 1.00 7.84 H new ATOM 0 HD13 ILE A 10 27.264 1.918 -3.547 1.00 7.84 H new ATOM 160 N ARG A 11 26.517 5.002 -5.826 1.00 8.07 N ATOM 161 CA ARG A 11 26.241 6.151 -4.978 1.00 7.96 C ATOM 162 C ARG A 11 24.950 6.828 -5.425 1.00 7.79 C ATOM 163 O ARG A 11 24.644 6.869 -6.621 1.00 8.29 O ATOM 164 CB ARG A 11 27.430 7.131 -4.999 1.00 9.08 C ATOM 165 CG ARG A 11 27.931 7.519 -6.393 1.00 9.98 C ATOM 166 CD ARG A 11 27.064 8.585 -7.047 1.00 10.66 C ATOM 167 NE ARG A 11 27.536 8.941 -8.385 1.00 11.50 N ATOM 168 CZ ARG A 11 27.441 10.163 -8.909 1.00 12.34 C ATOM 169 NH1 ARG A 11 26.922 11.160 -8.200 1.00 12.46 N ATOM 170 NH2 ARG A 11 27.873 10.385 -10.144 1.00 13.19 N ATOM 0 H ARG A 11 27.308 5.130 -6.457 1.00 8.07 H new ATOM 0 HA ARG A 11 26.108 5.816 -3.949 1.00 7.96 H new ATOM 0 HB2 ARG A 11 27.142 8.038 -4.469 1.00 9.08 H new ATOM 0 HB3 ARG A 11 28.256 6.687 -4.444 1.00 9.08 H new ATOM 0 HG2 ARG A 11 28.956 7.883 -6.319 1.00 9.98 H new ATOM 0 HG3 ARG A 11 27.953 6.633 -7.028 1.00 9.98 H new ATOM 0 HD2 ARG A 11 26.037 8.226 -7.110 1.00 10.66 H new ATOM 0 HD3 ARG A 11 27.052 9.476 -6.419 1.00 10.66 H new ATOM 0 HE ARG A 11 27.964 8.209 -8.952 1.00 11.50 H new ATOM 0 HH11 ARG A 11 26.594 10.992 -7.249 1.00 12.46 H new ATOM 0 HH12 ARG A 11 26.852 12.093 -8.607 1.00 12.46 H new ATOM 0 HH21 ARG A 11 28.276 9.622 -10.688 1.00 13.19 H new ATOM 0 HH22 ARG A 11 27.802 11.318 -10.549 1.00 13.19 H new ATOM 184 N GLN A 12 24.188 7.353 -4.480 1.00 7.29 N ATOM 185 CA GLN A 12 22.853 7.836 -4.802 1.00 7.16 C ATOM 186 C GLN A 12 22.510 9.126 -4.073 1.00 7.82 C ATOM 187 O GLN A 12 23.257 9.589 -3.206 1.00 8.10 O ATOM 188 CB GLN A 12 21.817 6.771 -4.467 1.00 6.33 C ATOM 189 CG GLN A 12 20.658 6.744 -5.446 1.00 6.44 C ATOM 190 CD GLN A 12 21.056 6.167 -6.794 1.00 6.33 C ATOM 191 OE1 GLN A 12 21.941 5.322 -6.881 1.00 6.37 O ATOM 192 NE2 GLN A 12 20.397 6.615 -7.855 1.00 6.60 N ATOM 0 H GLN A 12 24.462 7.455 -3.503 1.00 7.29 H new ATOM 0 HA GLN A 12 22.840 8.048 -5.871 1.00 7.16 H new ATOM 0 HB2 GLN A 12 22.299 5.793 -4.456 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.433 6.948 -3.462 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.844 6.153 -5.026 1.00 6.44 H new ATOM 0 HG3 GLN A 12 20.278 7.756 -5.584 1.00 6.44 H new ATOM 0 HE21 GLN A 12 19.667 7.318 -7.742 1.00 6.60 H new ATOM 0 HE22 GLN A 12 20.620 6.256 -8.783 1.00 6.60 H new ATOM 201 N GLY A 13 21.367 9.696 -4.447 1.00 8.30 N ATOM 202 CA GLY A 13 20.891 10.921 -3.841 1.00 9.01 C ATOM 203 C GLY A 13 19.623 10.689 -3.045 1.00 8.63 C ATOM 204 O GLY A 13 19.146 9.556 -2.967 1.00 7.84 O ATOM 0 H GLY A 13 20.755 9.321 -5.172 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.662 11.329 -3.188 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.704 11.664 -4.617 1.00 9.01 H new ATOM 208 N PRO A 14 19.031 11.742 -2.461 1.00 9.33 N ATOM 209 CA PRO A 14 17.821 11.616 -1.640 1.00 9.17 C ATOM 210 C PRO A 14 16.559 11.476 -2.487 1.00 8.90 C ATOM 211 O PRO A 14 15.450 11.369 -1.965 1.00 8.50 O ATOM 212 CB PRO A 14 17.800 12.930 -0.862 1.00 10.25 C ATOM 213 CG PRO A 14 18.454 13.913 -1.773 1.00 10.91 C ATOM 214 CD PRO A 14 19.487 13.145 -2.558 1.00 10.46 C ATOM 0 HA PRO A 14 17.838 10.726 -1.010 1.00 9.17 H new ATOM 0 HB2 PRO A 14 16.781 13.231 -0.619 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.340 12.842 0.081 1.00 10.25 H new ATOM 0 HG2 PRO A 14 17.723 14.372 -2.438 1.00 10.91 H new ATOM 0 HG3 PRO A 14 18.918 14.719 -1.205 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.533 13.480 -3.594 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.485 13.272 -2.138 1.00 10.46 H new ATOM 222 N LYS A 15 16.749 11.473 -3.798 1.00 9.36 N ATOM 223 CA LYS A 15 15.645 11.430 -4.745 1.00 9.53 C ATOM 224 C LYS A 15 15.423 10.016 -5.266 1.00 9.20 C ATOM 225 O LYS A 15 14.636 9.801 -6.184 1.00 9.66 O ATOM 226 CB LYS A 15 15.940 12.368 -5.916 1.00 10.67 C ATOM 227 CG LYS A 15 17.209 12.004 -6.675 1.00 11.41 C ATOM 228 CD LYS A 15 17.489 12.978 -7.807 1.00 12.05 C ATOM 229 CE LYS A 15 17.777 14.378 -7.287 1.00 12.96 C ATOM 230 NZ LYS A 15 18.195 15.297 -8.377 1.00 13.55 N ATOM 0 H LYS A 15 17.671 11.500 -4.234 1.00 9.36 H new ATOM 0 HA LYS A 15 14.739 11.751 -4.231 1.00 9.53 H new ATOM 0 HB2 LYS A 15 15.096 12.354 -6.605 1.00 10.67 H new ATOM 0 HB3 LYS A 15 16.029 13.388 -5.542 1.00 10.67 H new ATOM 0 HG2 LYS A 15 18.054 11.994 -5.987 1.00 11.41 H new ATOM 0 HG3 LYS A 15 17.115 10.996 -7.078 1.00 11.41 H new ATOM 0 HD2 LYS A 15 18.340 12.624 -8.389 1.00 12.05 H new ATOM 0 HD3 LYS A 15 16.632 13.009 -8.480 1.00 12.05 H new ATOM 0 HE2 LYS A 15 16.887 14.775 -6.799 1.00 12.96 H new ATOM 0 HE3 LYS A 15 18.561 14.331 -6.531 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 18.382 16.241 -7.983 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 19.059 14.932 -8.827 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 17.437 15.362 -9.086 1.00 13.55 H new ATOM 244 N GLU A 16 16.126 9.061 -4.687 1.00 8.57 N ATOM 245 CA GLU A 16 16.046 7.689 -5.144 1.00 8.39 C ATOM 246 C GLU A 16 15.575 6.780 -4.011 1.00 7.72 C ATOM 247 O GLU A 16 16.112 6.840 -2.903 1.00 6.94 O ATOM 248 CB GLU A 16 17.419 7.247 -5.641 1.00 8.10 C ATOM 249 CG GLU A 16 17.386 6.036 -6.552 1.00 8.26 C ATOM 250 CD GLU A 16 16.711 6.323 -7.879 1.00 9.36 C ATOM 251 OE1 GLU A 16 15.478 6.169 -7.978 1.00 9.85 O ATOM 252 OE2 GLU A 16 17.415 6.711 -8.834 1.00 9.91 O ATOM 0 H GLU A 16 16.758 9.211 -3.900 1.00 8.57 H new ATOM 0 HA GLU A 16 15.326 7.620 -5.959 1.00 8.39 H new ATOM 0 HB2 GLU A 16 17.885 8.076 -6.173 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.051 7.024 -4.781 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.405 5.694 -6.733 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.862 5.223 -6.050 1.00 8.26 H new ATOM 259 N PRO A 17 14.545 5.955 -4.265 1.00 8.28 N ATOM 260 CA PRO A 17 14.030 4.999 -3.282 1.00 8.07 C ATOM 261 C PRO A 17 15.093 4.023 -2.789 1.00 7.31 C ATOM 262 O PRO A 17 15.894 3.523 -3.582 1.00 7.39 O ATOM 263 CB PRO A 17 12.937 4.245 -4.041 1.00 9.21 C ATOM 264 CG PRO A 17 12.541 5.155 -5.147 1.00 9.95 C ATOM 265 CD PRO A 17 13.782 5.907 -5.523 1.00 9.45 C ATOM 0 HA PRO A 17 13.675 5.509 -2.386 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.307 3.294 -4.425 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.090 4.019 -3.393 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.153 4.592 -5.996 1.00 9.95 H new ATOM 0 HG3 PRO A 17 11.752 5.837 -4.829 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.337 5.398 -6.311 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.550 6.906 -5.891 1.00 9.45 H new ATOM 273 N PHE A 18 15.089 3.765 -1.485 1.00 6.75 N ATOM 274 CA PHE A 18 16.101 2.931 -0.832 1.00 6.11 C ATOM 275 C PHE A 18 16.384 1.656 -1.622 1.00 6.56 C ATOM 276 O PHE A 18 17.498 1.451 -2.113 1.00 6.14 O ATOM 277 CB PHE A 18 15.632 2.574 0.583 1.00 6.14 C ATOM 278 CG PHE A 18 16.628 1.787 1.396 1.00 5.98 C ATOM 279 CD1 PHE A 18 16.538 0.406 1.486 1.00 6.36 C ATOM 280 CD2 PHE A 18 17.645 2.431 2.081 1.00 5.83 C ATOM 281 CE1 PHE A 18 17.445 -0.315 2.241 1.00 6.55 C ATOM 282 CE2 PHE A 18 18.555 1.715 2.836 1.00 6.04 C ATOM 283 CZ PHE A 18 18.454 0.341 2.916 1.00 6.38 C ATOM 0 H PHE A 18 14.382 4.129 -0.846 1.00 6.75 H new ATOM 0 HA PHE A 18 17.029 3.501 -0.786 1.00 6.11 H new ATOM 0 HB2 PHE A 18 15.395 3.495 1.116 1.00 6.14 H new ATOM 0 HB3 PHE A 18 14.708 2.000 0.511 1.00 6.14 H new ATOM 0 HD1 PHE A 18 15.750 -0.113 0.960 1.00 6.36 H new ATOM 0 HD2 PHE A 18 17.728 3.506 2.025 1.00 5.83 H new ATOM 0 HE1 PHE A 18 17.364 -1.390 2.302 1.00 6.55 H new ATOM 0 HE2 PHE A 18 19.344 2.230 3.363 1.00 6.04 H new ATOM 0 HZ PHE A 18 19.164 -0.220 3.506 1.00 6.38 H new ATOM 293 N ARG A 19 15.354 0.833 -1.788 1.00 7.57 N ATOM 294 CA ARG A 19 15.508 -0.492 -2.385 1.00 8.30 C ATOM 295 C ARG A 19 15.945 -0.408 -3.847 1.00 8.53 C ATOM 296 O ARG A 19 16.394 -1.401 -4.419 1.00 8.98 O ATOM 297 CB ARG A 19 14.196 -1.269 -2.286 1.00 9.53 C ATOM 298 CG ARG A 19 13.083 -0.667 -3.124 1.00 10.28 C ATOM 299 CD ARG A 19 11.752 -1.342 -2.867 1.00 11.35 C ATOM 300 NE ARG A 19 10.669 -0.680 -3.585 1.00 12.03 N ATOM 301 CZ ARG A 19 9.463 -0.455 -3.069 1.00 13.02 C ATOM 302 NH1 ARG A 19 9.175 -0.867 -1.839 1.00 13.43 N ATOM 303 NH2 ARG A 19 8.545 0.177 -3.787 1.00 13.72 N ATOM 0 H ARG A 19 14.398 1.061 -1.516 1.00 7.57 H new ATOM 0 HA ARG A 19 16.288 -1.013 -1.829 1.00 8.30 H new ATOM 0 HB2 ARG A 19 14.365 -2.298 -2.603 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.879 -1.304 -1.244 1.00 9.53 H new ATOM 0 HG2 ARG A 19 12.998 0.397 -2.904 1.00 10.28 H new ATOM 0 HG3 ARG A 19 13.336 -0.755 -4.181 1.00 10.28 H new ATOM 0 HD2 ARG A 19 11.808 -2.387 -3.173 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.539 -1.334 -1.798 1.00 11.35 H new ATOM 0 HE ARG A 19 10.847 -0.371 -4.541 1.00 12.03 H new ATOM 0 HH11 ARG A 19 9.879 -1.357 -1.287 1.00 13.43 H new ATOM 0 HH12 ARG A 19 8.250 -0.693 -1.446 1.00 13.43 H new ATOM 0 HH21 ARG A 19 8.764 0.490 -4.733 1.00 13.72 H new ATOM 0 HH22 ARG A 19 7.620 0.350 -3.393 1.00 13.72 H new ATOM 317 N ASP A 20 15.822 0.773 -4.440 1.00 8.44 N ATOM 318 CA ASP A 20 16.170 0.957 -5.840 1.00 9.01 C ATOM 319 C ASP A 20 17.681 1.054 -6.003 1.00 8.27 C ATOM 320 O ASP A 20 18.265 0.360 -6.837 1.00 8.68 O ATOM 321 CB ASP A 20 15.494 2.207 -6.411 1.00 9.59 C ATOM 322 CG ASP A 20 15.728 2.359 -7.900 1.00 10.55 C ATOM 323 OD1 ASP A 20 14.902 1.869 -8.691 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.748 2.971 -8.289 1.00 10.78 O ATOM 0 H ASP A 20 15.485 1.615 -3.973 1.00 8.44 H new ATOM 0 HA ASP A 20 15.812 0.090 -6.395 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.422 2.158 -6.217 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.872 3.089 -5.894 1.00 9.59 H new ATOM 329 N TYR A 21 18.325 1.883 -5.188 1.00 7.30 N ATOM 330 CA TYR A 21 19.774 2.024 -5.277 1.00 6.73 C ATOM 331 C TYR A 21 20.480 0.894 -4.545 1.00 6.19 C ATOM 332 O TYR A 21 21.662 0.630 -4.758 1.00 6.24 O ATOM 333 CB TYR A 21 20.254 3.388 -4.774 1.00 6.06 C ATOM 334 CG TYR A 21 19.920 3.727 -3.335 1.00 5.92 C ATOM 335 CD1 TYR A 21 18.867 4.581 -3.037 1.00 6.01 C ATOM 336 CD2 TYR A 21 20.676 3.225 -2.281 1.00 6.13 C ATOM 337 CE1 TYR A 21 18.575 4.924 -1.731 1.00 6.36 C ATOM 338 CE2 TYR A 21 20.385 3.559 -0.972 1.00 6.47 C ATOM 339 CZ TYR A 21 19.334 4.411 -0.704 1.00 6.60 C ATOM 340 OH TYR A 21 19.043 4.753 0.596 1.00 7.29 O ATOM 0 H TYR A 21 17.878 2.457 -4.473 1.00 7.30 H new ATOM 0 HA TYR A 21 20.035 1.962 -6.333 1.00 6.73 H new ATOM 0 HB2 TYR A 21 21.336 3.436 -4.895 1.00 6.06 H new ATOM 0 HB3 TYR A 21 19.827 4.159 -5.415 1.00 6.06 H new ATOM 0 HD1 TYR A 21 18.266 4.984 -3.839 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.504 2.563 -2.489 1.00 6.13 H new ATOM 0 HE1 TYR A 21 17.754 5.592 -1.517 1.00 6.36 H new ATOM 0 HE2 TYR A 21 20.977 3.155 -0.164 1.00 6.47 H new ATOM 0 HH TYR A 21 19.157 3.970 1.174 1.00 7.29 H new ATOM 350 N VAL A 22 19.741 0.221 -3.695 1.00 5.96 N ATOM 351 CA VAL A 22 20.235 -0.984 -3.047 1.00 5.81 C ATOM 352 C VAL A 22 20.147 -2.156 -4.021 1.00 6.77 C ATOM 353 O VAL A 22 20.908 -3.114 -3.931 1.00 6.77 O ATOM 354 CB VAL A 22 19.454 -1.307 -1.749 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.927 -2.617 -1.129 1.00 6.61 C ATOM 356 CG2 VAL A 22 19.600 -0.173 -0.747 1.00 5.41 C ATOM 0 H VAL A 22 18.791 0.484 -3.431 1.00 5.96 H new ATOM 0 HA VAL A 22 21.274 -0.814 -2.764 1.00 5.81 H new ATOM 0 HB VAL A 22 18.402 -1.417 -2.012 1.00 5.93 H new ATOM 0 HG11 VAL A 22 19.359 -2.815 -0.220 1.00 6.61 H new ATOM 0 HG12 VAL A 22 19.773 -3.431 -1.837 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.987 -2.543 -0.886 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.046 -0.415 0.160 1.00 5.41 H new ATOM 0 HG22 VAL A 22 20.653 -0.037 -0.503 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.206 0.747 -1.179 1.00 5.41 H new ATOM 366 N ASP A 23 19.236 -2.047 -4.985 1.00 7.71 N ATOM 367 CA ASP A 23 19.044 -3.106 -5.977 1.00 8.82 C ATOM 368 C ASP A 23 20.264 -3.200 -6.876 1.00 8.87 C ATOM 369 O ASP A 23 20.723 -4.291 -7.220 1.00 9.30 O ATOM 370 CB ASP A 23 17.801 -2.843 -6.830 1.00 9.88 C ATOM 371 CG ASP A 23 17.458 -4.019 -7.725 1.00 11.09 C ATOM 372 OD1 ASP A 23 16.754 -4.943 -7.263 1.00 11.57 O ATOM 373 OD2 ASP A 23 17.894 -4.019 -8.898 1.00 11.68 O ATOM 0 H ASP A 23 18.621 -1.241 -5.102 1.00 7.71 H new ATOM 0 HA ASP A 23 18.906 -4.047 -5.444 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.955 -2.626 -6.178 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.965 -1.958 -7.444 1.00 9.88 H new ATOM 378 N ARG A 24 20.800 -2.039 -7.227 1.00 8.57 N ATOM 379 CA ARG A 24 21.989 -1.963 -8.061 1.00 8.91 C ATOM 380 C ARG A 24 23.201 -2.388 -7.255 1.00 8.10 C ATOM 381 O ARG A 24 24.098 -3.064 -7.754 1.00 8.53 O ATOM 382 CB ARG A 24 22.182 -0.541 -8.600 1.00 9.20 C ATOM 383 CG ARG A 24 21.504 0.508 -7.741 1.00 9.35 C ATOM 384 CD ARG A 24 22.147 1.873 -7.864 1.00 9.42 C ATOM 385 NE ARG A 24 22.174 2.352 -9.247 1.00 10.13 N ATOM 386 CZ ARG A 24 22.912 3.378 -9.667 1.00 10.62 C ATOM 387 NH1 ARG A 24 23.624 4.088 -8.802 1.00 10.53 N ATOM 388 NH2 ARG A 24 22.914 3.708 -10.952 1.00 11.36 N ATOM 0 H ARG A 24 20.427 -1.133 -6.945 1.00 8.57 H new ATOM 0 HA ARG A 24 21.868 -2.634 -8.911 1.00 8.91 H new ATOM 0 HB2 ARG A 24 23.248 -0.321 -8.660 1.00 9.20 H new ATOM 0 HB3 ARG A 24 21.787 -0.485 -9.614 1.00 9.20 H new ATOM 0 HG2 ARG A 24 20.454 0.579 -8.024 1.00 9.35 H new ATOM 0 HG3 ARG A 24 21.532 0.191 -6.699 1.00 9.35 H new ATOM 0 HD2 ARG A 24 21.602 2.586 -7.246 1.00 9.42 H new ATOM 0 HD3 ARG A 24 23.165 1.829 -7.477 1.00 9.42 H new ATOM 0 HE ARG A 24 21.591 1.870 -9.932 1.00 10.13 H new ATOM 0 HH11 ARG A 24 23.608 3.849 -7.811 1.00 10.53 H new ATOM 0 HH12 ARG A 24 24.188 4.873 -9.128 1.00 10.53 H new ATOM 0 HH21 ARG A 24 22.351 3.176 -11.616 1.00 11.36 H new ATOM 0 HH22 ARG A 24 23.478 4.493 -11.276 1.00 11.36 H new ATOM 402 N PHE A 25 23.203 -1.996 -5.995 1.00 7.02 N ATOM 403 CA PHE A 25 24.233 -2.402 -5.067 1.00 6.32 C ATOM 404 C PHE A 25 24.227 -3.917 -4.880 1.00 6.59 C ATOM 405 O PHE A 25 25.269 -4.532 -4.688 1.00 6.62 O ATOM 406 CB PHE A 25 24.011 -1.703 -3.731 1.00 5.33 C ATOM 407 CG PHE A 25 25.046 -2.041 -2.700 1.00 4.98 C ATOM 408 CD1 PHE A 25 24.675 -2.548 -1.465 1.00 4.85 C ATOM 409 CD2 PHE A 25 26.391 -1.848 -2.964 1.00 5.26 C ATOM 410 CE1 PHE A 25 25.626 -2.852 -0.515 1.00 4.99 C ATOM 411 CE2 PHE A 25 27.345 -2.152 -2.018 1.00 5.43 C ATOM 412 CZ PHE A 25 26.961 -2.676 -0.796 1.00 5.29 C ATOM 0 H PHE A 25 22.491 -1.388 -5.590 1.00 7.02 H new ATOM 0 HA PHE A 25 25.205 -2.117 -5.469 1.00 6.32 H new ATOM 0 HB2 PHE A 25 24.007 -0.625 -3.890 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.027 -1.972 -3.348 1.00 5.33 H new ATOM 0 HD1 PHE A 25 23.630 -2.707 -1.245 1.00 4.85 H new ATOM 0 HD2 PHE A 25 26.696 -1.455 -3.922 1.00 5.26 H new ATOM 0 HE1 PHE A 25 25.323 -3.229 0.451 1.00 4.99 H new ATOM 0 HE2 PHE A 25 28.390 -1.982 -2.229 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.708 -2.946 -0.064 1.00 5.29 H new ATOM 422 N TYR A 26 23.053 -4.520 -4.961 1.00 7.06 N ATOM 423 CA TYR A 26 22.932 -5.946 -4.729 1.00 7.60 C ATOM 424 C TYR A 26 23.249 -6.728 -5.997 1.00 8.54 C ATOM 425 O TYR A 26 23.577 -7.911 -5.936 1.00 8.87 O ATOM 426 CB TYR A 26 21.528 -6.295 -4.226 1.00 8.10 C ATOM 427 CG TYR A 26 21.415 -7.702 -3.681 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.982 -8.035 -2.457 1.00 9.57 C ATOM 429 CD2 TYR A 26 20.746 -8.697 -4.385 1.00 9.04 C ATOM 430 CE1 TYR A 26 21.889 -9.317 -1.952 1.00 10.37 C ATOM 431 CE2 TYR A 26 20.647 -9.980 -3.884 1.00 9.88 C ATOM 432 CZ TYR A 26 21.221 -10.284 -2.667 1.00 10.50 C ATOM 433 OH TYR A 26 21.129 -11.563 -2.162 1.00 11.44 O ATOM 0 H TYR A 26 22.177 -4.047 -5.184 1.00 7.06 H new ATOM 0 HA TYR A 26 23.654 -6.226 -3.962 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.244 -5.588 -3.447 1.00 8.10 H new ATOM 0 HB3 TYR A 26 20.817 -6.172 -5.043 1.00 8.10 H new ATOM 0 HD1 TYR A 26 22.504 -7.278 -1.891 1.00 9.57 H new ATOM 0 HD2 TYR A 26 20.297 -8.463 -5.339 1.00 9.04 H new ATOM 0 HE1 TYR A 26 22.339 -9.559 -1.000 1.00 10.37 H new ATOM 0 HE2 TYR A 26 20.123 -10.742 -4.442 1.00 9.88 H new ATOM 0 HH TYR A 26 20.625 -12.126 -2.786 1.00 11.44 H new ATOM 443 N LYS A 27 23.192 -6.067 -7.148 1.00 9.08 N ATOM 444 CA LYS A 27 23.398 -6.756 -8.408 1.00 10.12 C ATOM 445 C LYS A 27 24.882 -7.050 -8.605 1.00 10.01 C ATOM 446 O LYS A 27 25.256 -7.993 -9.302 1.00 10.69 O ATOM 447 CB LYS A 27 22.822 -5.938 -9.566 1.00 10.87 C ATOM 448 CG LYS A 27 23.759 -4.882 -10.129 1.00 11.19 C ATOM 449 CD LYS A 27 23.022 -3.903 -11.030 1.00 12.15 C ATOM 450 CE LYS A 27 22.187 -4.608 -12.085 1.00 12.87 C ATOM 451 NZ LYS A 27 21.326 -3.654 -12.829 1.00 13.47 N ATOM 0 H LYS A 27 23.007 -5.067 -7.231 1.00 9.08 H new ATOM 0 HA LYS A 27 22.868 -7.708 -8.388 1.00 10.12 H new ATOM 0 HB2 LYS A 27 22.541 -6.619 -10.369 1.00 10.87 H new ATOM 0 HB3 LYS A 27 21.908 -5.450 -9.228 1.00 10.87 H new ATOM 0 HG2 LYS A 27 24.231 -4.339 -9.310 1.00 11.19 H new ATOM 0 HG3 LYS A 27 24.557 -5.366 -10.692 1.00 11.19 H new ATOM 0 HD2 LYS A 27 22.376 -3.269 -10.423 1.00 12.15 H new ATOM 0 HD3 LYS A 27 23.744 -3.248 -11.519 1.00 12.15 H new ATOM 0 HE2 LYS A 27 22.844 -5.126 -12.783 1.00 12.87 H new ATOM 0 HE3 LYS A 27 21.565 -5.366 -11.610 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 20.770 -4.170 -13.541 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 20.682 -3.178 -12.166 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 21.922 -2.945 -13.302 1.00 13.47 H new ATOM 465 N THR A 28 25.724 -6.250 -7.968 1.00 9.28 N ATOM 466 CA THR A 28 27.148 -6.518 -7.953 1.00 9.35 C ATOM 467 C THR A 28 27.485 -7.495 -6.826 1.00 8.90 C ATOM 468 O THR A 28 28.413 -8.294 -6.941 1.00 9.29 O ATOM 469 CB THR A 28 27.982 -5.220 -7.820 1.00 9.07 C ATOM 470 OG1 THR A 28 29.381 -5.528 -7.788 1.00 9.27 O ATOM 471 CG2 THR A 28 27.610 -4.433 -6.573 1.00 8.30 C ATOM 0 H THR A 28 25.444 -5.413 -7.457 1.00 9.28 H new ATOM 0 HA THR A 28 27.411 -6.970 -8.909 1.00 9.35 H new ATOM 0 HB THR A 28 27.760 -4.603 -8.691 1.00 9.07 H new ATOM 0 HG1 THR A 28 29.897 -4.699 -7.705 1.00 9.27 H new ATOM 0 HG21 THR A 28 28.218 -3.530 -6.518 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.556 -4.158 -6.617 1.00 8.30 H new ATOM 0 HG23 THR A 28 27.789 -5.046 -5.689 1.00 8.30 H new ATOM 479 N LEU A 29 26.691 -7.457 -5.753 1.00 8.24 N ATOM 480 CA LEU A 29 26.905 -8.344 -4.612 1.00 8.03 C ATOM 481 C LEU A 29 26.489 -9.768 -4.944 1.00 8.87 C ATOM 482 O LEU A 29 27.111 -10.725 -4.494 1.00 9.09 O ATOM 483 CB LEU A 29 26.130 -7.858 -3.385 1.00 7.48 C ATOM 484 CG LEU A 29 26.564 -6.506 -2.818 1.00 7.10 C ATOM 485 CD1 LEU A 29 25.733 -6.165 -1.593 1.00 6.93 C ATOM 486 CD2 LEU A 29 28.048 -6.510 -2.472 1.00 6.99 C ATOM 0 H LEU A 29 25.898 -6.824 -5.653 1.00 8.24 H new ATOM 0 HA LEU A 29 27.971 -8.330 -4.385 1.00 8.03 H new ATOM 0 HB2 LEU A 29 25.073 -7.799 -3.646 1.00 7.48 H new ATOM 0 HB3 LEU A 29 26.223 -8.607 -2.599 1.00 7.48 H new ATOM 0 HG LEU A 29 26.400 -5.744 -3.580 1.00 7.10 H new ATOM 0 HD11 LEU A 29 26.049 -5.200 -1.196 1.00 6.93 H new ATOM 0 HD12 LEU A 29 24.680 -6.116 -1.870 1.00 6.93 H new ATOM 0 HD13 LEU A 29 25.873 -6.934 -0.833 1.00 6.93 H new ATOM 0 HD21 LEU A 29 28.331 -5.537 -2.071 1.00 6.99 H new ATOM 0 HD22 LEU A 29 28.246 -7.281 -1.727 1.00 6.99 H new ATOM 0 HD23 LEU A 29 28.630 -6.715 -3.370 1.00 6.99 H new ATOM 498 N ARG A 30 25.426 -9.905 -5.728 1.00 9.50 N ATOM 499 CA ARG A 30 24.963 -11.217 -6.165 1.00 10.45 C ATOM 500 C ARG A 30 25.956 -11.820 -7.149 1.00 10.98 C ATOM 501 O ARG A 30 26.018 -13.035 -7.330 1.00 11.61 O ATOM 502 CB ARG A 30 23.581 -11.106 -6.811 1.00 11.14 C ATOM 503 CG ARG A 30 23.587 -10.439 -8.174 1.00 11.16 C ATOM 504 CD ARG A 30 22.181 -10.267 -8.718 1.00 11.94 C ATOM 505 NE ARG A 30 22.181 -9.618 -10.029 1.00 12.66 N ATOM 506 CZ ARG A 30 21.097 -9.097 -10.603 1.00 13.44 C ATOM 507 NH1 ARG A 30 19.925 -9.133 -9.980 1.00 13.60 N ATOM 508 NH2 ARG A 30 21.189 -8.528 -11.798 1.00 14.19 N ATOM 0 H ARG A 30 24.869 -9.124 -6.074 1.00 9.50 H new ATOM 0 HA ARG A 30 24.888 -11.869 -5.295 1.00 10.45 H new ATOM 0 HB2 ARG A 30 23.156 -12.105 -6.909 1.00 11.14 H new ATOM 0 HB3 ARG A 30 22.925 -10.544 -6.146 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.071 -9.465 -8.101 1.00 11.16 H new ATOM 0 HG3 ARG A 30 24.176 -11.037 -8.870 1.00 11.16 H new ATOM 0 HD2 ARG A 30 21.699 -11.242 -8.795 1.00 11.94 H new ATOM 0 HD3 ARG A 30 21.591 -9.674 -8.019 1.00 11.94 H new ATOM 0 HE ARG A 30 23.065 -9.561 -10.535 1.00 12.66 H new ATOM 0 HH11 ARG A 30 19.851 -9.561 -9.057 1.00 13.60 H new ATOM 0 HH12 ARG A 30 19.099 -8.733 -10.424 1.00 13.60 H new ATOM 0 HH21 ARG A 30 22.089 -8.490 -12.277 1.00 14.19 H new ATOM 0 HH22 ARG A 30 20.360 -8.129 -12.238 1.00 14.19 H new ATOM 522 N ALA A 31 26.720 -10.949 -7.791 1.00 10.87 N ATOM 523 CA ALA A 31 27.779 -11.376 -8.694 1.00 11.56 C ATOM 524 C ALA A 31 28.960 -11.914 -7.893 1.00 11.34 C ATOM 525 O ALA A 31 29.381 -13.054 -8.081 1.00 11.93 O ATOM 526 CB ALA A 31 28.213 -10.224 -9.590 1.00 11.84 C ATOM 0 H ALA A 31 26.626 -9.937 -7.703 1.00 10.87 H new ATOM 0 HA ALA A 31 27.399 -12.174 -9.332 1.00 11.56 H new ATOM 0 HB1 ALA A 31 29.005 -10.561 -10.258 1.00 11.84 H new ATOM 0 HB2 ALA A 31 27.363 -9.881 -10.179 1.00 11.84 H new ATOM 0 HB3 ALA A 31 28.582 -9.404 -8.975 1.00 11.84 H new ATOM 532 N GLU A 32 29.479 -11.088 -6.991 1.00 10.61 N ATOM 533 CA GLU A 32 30.564 -11.493 -6.101 1.00 10.60 C ATOM 534 C GLU A 32 30.005 -12.139 -4.832 1.00 10.54 C ATOM 535 O GLU A 32 30.518 -11.929 -3.729 1.00 10.89 O ATOM 536 CB GLU A 32 31.436 -10.282 -5.744 1.00 10.22 C ATOM 537 CG GLU A 32 30.669 -9.173 -5.044 1.00 9.56 C ATOM 538 CD GLU A 32 31.529 -7.961 -4.739 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.911 -7.776 -3.564 1.00 9.47 O ATOM 540 OE2 GLU A 32 31.836 -7.191 -5.675 1.00 9.62 O ATOM 0 H GLU A 32 29.164 -10.127 -6.856 1.00 10.61 H new ATOM 0 HA GLU A 32 31.180 -12.228 -6.618 1.00 10.60 H new ATOM 0 HB2 GLU A 32 32.254 -10.609 -5.102 1.00 10.22 H new ATOM 0 HB3 GLU A 32 31.884 -9.885 -6.655 1.00 10.22 H new ATOM 0 HG2 GLU A 32 29.830 -8.868 -5.669 1.00 9.56 H new ATOM 0 HG3 GLU A 32 30.251 -9.559 -4.114 1.00 9.56 H new ATOM 547 N GLN A 33 28.958 -12.941 -5.000 1.00 10.31 N ATOM 548 CA GLN A 33 28.256 -13.552 -3.873 1.00 10.45 C ATOM 549 C GLN A 33 29.118 -14.588 -3.163 1.00 10.39 C ATOM 550 O GLN A 33 28.744 -15.090 -2.103 1.00 10.09 O ATOM 551 CB GLN A 33 26.958 -14.208 -4.347 1.00 10.44 C ATOM 552 CG GLN A 33 27.173 -15.392 -5.276 1.00 10.76 C ATOM 553 CD GLN A 33 25.877 -16.038 -5.716 1.00 11.12 C ATOM 554 OE1 GLN A 33 24.880 -16.020 -4.996 1.00 11.23 O ATOM 555 NE2 GLN A 33 25.879 -16.619 -6.904 1.00 11.52 N ATOM 0 H GLN A 33 28.574 -13.185 -5.913 1.00 10.31 H new ATOM 0 HA GLN A 33 28.028 -12.756 -3.164 1.00 10.45 H new ATOM 0 HB2 GLN A 33 26.390 -14.539 -3.477 1.00 10.44 H new ATOM 0 HB3 GLN A 33 26.351 -13.462 -4.859 1.00 10.44 H new ATOM 0 HG2 GLN A 33 27.725 -15.062 -6.156 1.00 10.76 H new ATOM 0 HG3 GLN A 33 27.791 -16.135 -4.772 1.00 10.76 H new ATOM 0 HE21 GLN A 33 26.726 -16.614 -7.473 1.00 11.52 H new ATOM 0 HE22 GLN A 33 25.034 -17.073 -7.251 1.00 11.52 H new ATOM 564 N ALA A 34 30.258 -14.907 -3.763 1.00 10.90 N ATOM 565 CA ALA A 34 31.185 -15.874 -3.195 1.00 11.19 C ATOM 566 C ALA A 34 31.596 -15.466 -1.787 1.00 11.09 C ATOM 567 O ALA A 34 31.430 -16.226 -0.835 1.00 11.27 O ATOM 568 CB ALA A 34 32.415 -16.011 -4.082 1.00 11.97 C ATOM 0 H ALA A 34 30.563 -14.506 -4.650 1.00 10.90 H new ATOM 0 HA ALA A 34 30.681 -16.839 -3.140 1.00 11.19 H new ATOM 0 HB1 ALA A 34 33.100 -16.738 -3.645 1.00 11.97 H new ATOM 0 HB2 ALA A 34 32.113 -16.348 -5.074 1.00 11.97 H new ATOM 0 HB3 ALA A 34 32.914 -15.045 -4.164 1.00 11.97 H new ATOM 574 N SER A 35 32.138 -14.269 -1.659 1.00 11.05 N ATOM 575 CA SER A 35 32.523 -13.752 -0.361 1.00 11.21 C ATOM 576 C SER A 35 31.325 -13.121 0.341 1.00 10.64 C ATOM 577 O SER A 35 30.970 -11.969 0.081 1.00 10.19 O ATOM 578 CB SER A 35 33.658 -12.742 -0.501 1.00 11.48 C ATOM 579 OG SER A 35 34.144 -12.346 0.765 1.00 12.02 O ATOM 0 H SER A 35 32.321 -13.637 -2.439 1.00 11.05 H new ATOM 0 HA SER A 35 32.878 -14.583 0.248 1.00 11.21 H new ATOM 0 HB2 SER A 35 34.468 -13.179 -1.085 1.00 11.48 H new ATOM 0 HB3 SER A 35 33.306 -11.868 -1.049 1.00 11.48 H new ATOM 0 HG SER A 35 35.111 -12.197 0.712 1.00 12.02 H new ATOM 585 N GLN A 36 30.697 -13.879 1.225 1.00 10.85 N ATOM 586 CA GLN A 36 29.558 -13.378 1.980 1.00 10.51 C ATOM 587 C GLN A 36 30.012 -12.375 3.030 1.00 10.66 C ATOM 588 O GLN A 36 29.259 -11.481 3.421 1.00 10.26 O ATOM 589 CB GLN A 36 28.817 -14.530 2.654 1.00 11.11 C ATOM 590 CG GLN A 36 28.176 -15.498 1.675 1.00 11.25 C ATOM 591 CD GLN A 36 27.382 -16.581 2.374 1.00 11.80 C ATOM 592 OE1 GLN A 36 27.909 -17.643 2.702 1.00 12.14 O ATOM 593 NE2 GLN A 36 26.111 -16.316 2.618 1.00 12.09 N ATOM 0 H GLN A 36 30.956 -14.842 1.438 1.00 10.85 H new ATOM 0 HA GLN A 36 28.883 -12.879 1.285 1.00 10.51 H new ATOM 0 HB2 GLN A 36 29.514 -15.077 3.289 1.00 11.11 H new ATOM 0 HB3 GLN A 36 28.045 -14.122 3.306 1.00 11.11 H new ATOM 0 HG2 GLN A 36 27.520 -14.948 1.000 1.00 11.25 H new ATOM 0 HG3 GLN A 36 28.951 -15.957 1.062 1.00 11.25 H new ATOM 0 HE21 GLN A 36 25.712 -15.423 2.330 1.00 12.09 H new ATOM 0 HE22 GLN A 36 25.529 -17.005 3.095 1.00 12.09 H new ATOM 602 N GLU A 37 31.258 -12.515 3.458 1.00 11.37 N ATOM 603 CA GLU A 37 31.808 -11.668 4.509 1.00 11.85 C ATOM 604 C GLU A 37 31.937 -10.221 4.036 1.00 11.40 C ATOM 605 O GLU A 37 31.637 -9.285 4.778 1.00 11.56 O ATOM 606 CB GLU A 37 33.162 -12.207 4.976 1.00 12.76 C ATOM 607 CG GLU A 37 34.174 -12.371 3.856 1.00 12.82 C ATOM 608 CD GLU A 37 35.505 -12.899 4.341 1.00 13.79 C ATOM 609 OE1 GLU A 37 35.746 -14.117 4.221 1.00 14.44 O ATOM 610 OE2 GLU A 37 36.312 -12.101 4.859 1.00 13.98 O ATOM 0 H GLU A 37 31.910 -13.209 3.093 1.00 11.37 H new ATOM 0 HA GLU A 37 31.119 -11.684 5.354 1.00 11.85 H new ATOM 0 HB2 GLU A 37 33.572 -11.532 5.728 1.00 12.76 H new ATOM 0 HB3 GLU A 37 33.011 -13.171 5.461 1.00 12.76 H new ATOM 0 HG2 GLU A 37 33.771 -13.050 3.105 1.00 12.82 H new ATOM 0 HG3 GLU A 37 34.327 -11.409 3.367 1.00 12.82 H new ATOM 617 N VAL A 38 32.360 -10.048 2.792 1.00 11.01 N ATOM 618 CA VAL A 38 32.525 -8.721 2.222 1.00 10.78 C ATOM 619 C VAL A 38 31.170 -8.053 2.024 1.00 9.91 C ATOM 620 O VAL A 38 31.014 -6.860 2.283 1.00 9.82 O ATOM 621 CB VAL A 38 33.288 -8.767 0.879 1.00 10.99 C ATOM 622 CG1 VAL A 38 33.341 -7.391 0.234 1.00 11.05 C ATOM 623 CG2 VAL A 38 34.695 -9.307 1.089 1.00 11.61 C ATOM 0 H VAL A 38 32.595 -10.812 2.158 1.00 11.01 H new ATOM 0 HA VAL A 38 33.116 -8.136 2.927 1.00 10.78 H new ATOM 0 HB VAL A 38 32.751 -9.436 0.207 1.00 10.99 H new ATOM 0 HG11 VAL A 38 33.883 -7.452 -0.709 1.00 11.05 H new ATOM 0 HG12 VAL A 38 32.327 -7.037 0.047 1.00 11.05 H new ATOM 0 HG13 VAL A 38 33.851 -6.696 0.901 1.00 11.05 H new ATOM 0 HG21 VAL A 38 35.221 -9.334 0.135 1.00 11.61 H new ATOM 0 HG22 VAL A 38 35.233 -8.660 1.782 1.00 11.61 H new ATOM 0 HG23 VAL A 38 34.640 -10.314 1.501 1.00 11.61 H new ATOM 633 N LYS A 39 30.188 -8.836 1.583 1.00 9.40 N ATOM 634 CA LYS A 39 28.834 -8.328 1.382 1.00 8.62 C ATOM 635 C LYS A 39 28.248 -7.824 2.694 1.00 8.49 C ATOM 636 O LYS A 39 27.634 -6.757 2.749 1.00 8.00 O ATOM 637 CB LYS A 39 27.926 -9.416 0.818 1.00 8.48 C ATOM 638 CG LYS A 39 28.407 -10.014 -0.491 1.00 8.87 C ATOM 639 CD LYS A 39 27.305 -10.822 -1.157 1.00 8.96 C ATOM 640 CE LYS A 39 26.906 -12.026 -0.322 1.00 9.53 C ATOM 641 NZ LYS A 39 25.584 -12.571 -0.728 1.00 9.78 N ATOM 0 H LYS A 39 30.305 -9.824 1.358 1.00 9.40 H new ATOM 0 HA LYS A 39 28.894 -7.504 0.671 1.00 8.62 H new ATOM 0 HB2 LYS A 39 27.832 -10.213 1.555 1.00 8.48 H new ATOM 0 HB3 LYS A 39 26.929 -9.000 0.670 1.00 8.48 H new ATOM 0 HG2 LYS A 39 28.735 -9.218 -1.160 1.00 8.87 H new ATOM 0 HG3 LYS A 39 29.271 -10.652 -0.308 1.00 8.87 H new ATOM 0 HD2 LYS A 39 26.434 -10.186 -1.318 1.00 8.96 H new ATOM 0 HD3 LYS A 39 27.641 -11.156 -2.139 1.00 8.96 H new ATOM 0 HE2 LYS A 39 27.664 -12.803 -0.420 1.00 9.53 H new ATOM 0 HE3 LYS A 39 26.874 -11.743 0.730 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 25.349 -13.391 -0.133 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 24.855 -11.838 -0.610 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 25.621 -12.865 -1.725 1.00 9.78 H new ATOM 655 N ASN A 40 28.445 -8.607 3.745 1.00 9.12 N ATOM 656 CA ASN A 40 27.957 -8.265 5.078 1.00 9.38 C ATOM 657 C ASN A 40 28.519 -6.925 5.536 1.00 9.55 C ATOM 658 O ASN A 40 27.778 -6.048 5.980 1.00 9.39 O ATOM 659 CB ASN A 40 28.336 -9.362 6.077 1.00 10.35 C ATOM 660 CG ASN A 40 27.906 -9.037 7.496 1.00 10.85 C ATOM 661 OD1 ASN A 40 28.652 -8.423 8.262 1.00 10.92 O ATOM 662 ND2 ASN A 40 26.708 -9.459 7.865 1.00 11.43 N ATOM 0 H ASN A 40 28.946 -9.495 3.701 1.00 9.12 H new ATOM 0 HA ASN A 40 26.871 -8.184 5.032 1.00 9.38 H new ATOM 0 HB2 ASN A 40 27.878 -10.302 5.769 1.00 10.35 H new ATOM 0 HB3 ASN A 40 29.415 -9.511 6.054 1.00 10.35 H new ATOM 0 HD21 ASN A 40 26.373 -9.279 8.812 1.00 11.43 H new ATOM 0 HD22 ASN A 40 26.119 -9.964 7.203 1.00 11.43 H new ATOM 669 N ALA A 41 29.828 -6.767 5.405 1.00 10.04 N ATOM 670 CA ALA A 41 30.490 -5.533 5.805 1.00 10.52 C ATOM 671 C ALA A 41 30.075 -4.374 4.905 1.00 9.85 C ATOM 672 O ALA A 41 29.862 -3.252 5.371 1.00 10.08 O ATOM 673 CB ALA A 41 31.999 -5.717 5.770 1.00 11.43 C ATOM 0 H ALA A 41 30.453 -7.478 5.025 1.00 10.04 H new ATOM 0 HA ALA A 41 30.185 -5.294 6.824 1.00 10.52 H new ATOM 0 HB1 ALA A 41 32.486 -4.789 6.071 1.00 11.43 H new ATOM 0 HB2 ALA A 41 32.284 -6.515 6.456 1.00 11.43 H new ATOM 0 HB3 ALA A 41 32.310 -5.979 4.759 1.00 11.43 H new ATOM 679 N ALA A 42 29.944 -4.658 3.615 1.00 9.19 N ATOM 680 CA ALA A 42 29.593 -3.639 2.638 1.00 8.71 C ATOM 681 C ALA A 42 28.190 -3.095 2.880 1.00 7.86 C ATOM 682 O ALA A 42 27.989 -1.892 2.960 1.00 7.82 O ATOM 683 CB ALA A 42 29.714 -4.191 1.225 1.00 8.58 C ATOM 0 H ALA A 42 30.076 -5.590 3.222 1.00 9.19 H new ATOM 0 HA ALA A 42 30.295 -2.813 2.753 1.00 8.71 H new ATOM 0 HB1 ALA A 42 29.448 -3.415 0.507 1.00 8.58 H new ATOM 0 HB2 ALA A 42 30.740 -4.513 1.047 1.00 8.58 H new ATOM 0 HB3 ALA A 42 29.041 -5.040 1.107 1.00 8.58 H new ATOM 689 N THR A 43 27.229 -3.988 3.012 1.00 7.35 N ATOM 690 CA THR A 43 25.836 -3.594 3.200 1.00 6.63 C ATOM 691 C THR A 43 25.639 -2.705 4.428 1.00 6.87 C ATOM 692 O THR A 43 24.768 -1.835 4.433 1.00 6.42 O ATOM 693 CB THR A 43 24.910 -4.821 3.302 1.00 6.60 C ATOM 694 OG1 THR A 43 25.464 -5.782 4.211 1.00 6.93 O ATOM 695 CG2 THR A 43 24.704 -5.464 1.941 1.00 6.92 C ATOM 0 H THR A 43 27.382 -4.996 2.993 1.00 7.35 H new ATOM 0 HA THR A 43 25.568 -3.015 2.316 1.00 6.63 H new ATOM 0 HB THR A 43 23.943 -4.484 3.675 1.00 6.60 H new ATOM 0 HG1 THR A 43 26.178 -6.282 3.763 1.00 6.93 H new ATOM 0 HG21 THR A 43 24.047 -6.327 2.042 1.00 6.92 H new ATOM 0 HG22 THR A 43 24.252 -4.741 1.262 1.00 6.92 H new ATOM 0 HG23 THR A 43 25.666 -5.785 1.541 1.00 6.92 H new ATOM 703 N GLU A 44 26.427 -2.924 5.471 1.00 7.76 N ATOM 704 CA GLU A 44 26.317 -2.108 6.668 1.00 8.32 C ATOM 705 C GLU A 44 27.128 -0.822 6.572 1.00 8.48 C ATOM 706 O GLU A 44 26.576 0.273 6.652 1.00 8.35 O ATOM 707 CB GLU A 44 26.739 -2.899 7.904 1.00 9.53 C ATOM 708 CG GLU A 44 25.784 -4.022 8.247 1.00 10.03 C ATOM 709 CD GLU A 44 26.044 -4.610 9.617 1.00 11.07 C ATOM 710 OE1 GLU A 44 25.819 -3.902 10.621 1.00 11.69 O ATOM 711 OE2 GLU A 44 26.474 -5.779 9.697 1.00 11.42 O ATOM 0 H GLU A 44 27.141 -3.651 5.512 1.00 7.76 H new ATOM 0 HA GLU A 44 25.267 -1.829 6.760 1.00 8.32 H new ATOM 0 HB2 GLU A 44 27.734 -3.314 7.740 1.00 9.53 H new ATOM 0 HB3 GLU A 44 26.813 -2.221 8.754 1.00 9.53 H new ATOM 0 HG2 GLU A 44 24.761 -3.649 8.204 1.00 10.03 H new ATOM 0 HG3 GLU A 44 25.869 -4.808 7.496 1.00 10.03 H new ATOM 718 N THR A 45 28.430 -0.957 6.387 1.00 8.95 N ATOM 719 CA THR A 45 29.334 0.186 6.449 1.00 9.49 C ATOM 720 C THR A 45 29.405 0.946 5.122 1.00 8.79 C ATOM 721 O THR A 45 29.491 2.173 5.099 1.00 9.04 O ATOM 722 CB THR A 45 30.751 -0.274 6.838 1.00 10.61 C ATOM 723 OG1 THR A 45 30.681 -1.192 7.938 1.00 11.34 O ATOM 724 CG2 THR A 45 31.620 0.912 7.226 1.00 11.01 C ATOM 0 H THR A 45 28.888 -1.847 6.192 1.00 8.95 H new ATOM 0 HA THR A 45 28.934 0.861 7.206 1.00 9.49 H new ATOM 0 HB THR A 45 31.197 -0.767 5.974 1.00 10.61 H new ATOM 0 HG1 THR A 45 31.585 -1.482 8.180 1.00 11.34 H new ATOM 0 HG21 THR A 45 32.616 0.560 7.496 1.00 11.01 H new ATOM 0 HG22 THR A 45 31.694 1.600 6.384 1.00 11.01 H new ATOM 0 HG23 THR A 45 31.174 1.427 8.077 1.00 11.01 H new ATOM 732 N LEU A 46 29.351 0.214 4.025 1.00 8.07 N ATOM 733 CA LEU A 46 29.592 0.792 2.712 1.00 7.71 C ATOM 734 C LEU A 46 28.300 1.344 2.108 1.00 6.77 C ATOM 735 O LEU A 46 28.307 2.420 1.512 1.00 6.93 O ATOM 736 CB LEU A 46 30.252 -0.273 1.812 1.00 7.55 C ATOM 737 CG LEU A 46 30.574 0.113 0.359 1.00 7.70 C ATOM 738 CD1 LEU A 46 29.338 -0.014 -0.514 1.00 7.76 C ATOM 739 CD2 LEU A 46 31.148 1.520 0.280 1.00 8.22 C ATOM 0 H LEU A 46 29.142 -0.784 4.015 1.00 8.07 H new ATOM 0 HA LEU A 46 30.272 1.640 2.800 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.181 -0.585 2.289 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.597 -1.144 1.789 1.00 7.55 H new ATOM 0 HG LEU A 46 31.330 -0.578 -0.014 1.00 7.70 H new ATOM 0 HD11 LEU A 46 29.586 0.263 -1.538 1.00 7.76 H new ATOM 0 HD12 LEU A 46 28.982 -1.044 -0.493 1.00 7.76 H new ATOM 0 HD13 LEU A 46 28.557 0.647 -0.138 1.00 7.76 H new ATOM 0 HD21 LEU A 46 31.366 1.766 -0.759 1.00 8.22 H new ATOM 0 HD22 LEU A 46 30.424 2.231 0.677 1.00 8.22 H new ATOM 0 HD23 LEU A 46 32.066 1.572 0.866 1.00 8.22 H new ATOM 751 N LEU A 47 27.192 0.630 2.291 1.00 5.99 N ATOM 752 CA LEU A 47 25.919 1.032 1.689 1.00 5.15 C ATOM 753 C LEU A 47 25.461 2.386 2.223 1.00 5.48 C ATOM 754 O LEU A 47 24.908 3.202 1.486 1.00 5.21 O ATOM 755 CB LEU A 47 24.840 -0.024 1.933 1.00 4.73 C ATOM 756 CG LEU A 47 23.454 0.313 1.370 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.506 0.478 -0.144 1.00 4.20 C ATOM 758 CD2 LEU A 47 22.452 -0.764 1.755 1.00 4.34 C ATOM 0 H LEU A 47 27.147 -0.224 2.847 1.00 5.99 H new ATOM 0 HA LEU A 47 26.078 1.123 0.615 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.172 -0.966 1.497 1.00 4.73 H new ATOM 0 HB3 LEU A 47 24.748 -0.185 3.007 1.00 4.73 H new ATOM 0 HG LEU A 47 23.131 1.261 1.801 1.00 4.22 H new ATOM 0 HD11 LEU A 47 22.511 0.717 -0.518 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.193 1.285 -0.399 1.00 4.20 H new ATOM 0 HD13 LEU A 47 23.852 -0.450 -0.599 1.00 4.20 H new ATOM 0 HD21 LEU A 47 21.473 -0.512 1.349 1.00 4.34 H new ATOM 0 HD22 LEU A 47 22.776 -1.723 1.352 1.00 4.34 H new ATOM 0 HD23 LEU A 47 22.388 -0.830 2.841 1.00 4.34 H new ATOM 770 N VAL A 48 25.696 2.630 3.503 1.00 6.32 N ATOM 771 CA VAL A 48 25.366 3.920 4.087 1.00 6.92 C ATOM 772 C VAL A 48 26.360 4.979 3.626 1.00 7.62 C ATOM 773 O VAL A 48 26.038 6.158 3.551 1.00 7.93 O ATOM 774 CB VAL A 48 25.335 3.876 5.629 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.215 2.972 6.117 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.671 3.421 6.191 1.00 8.67 C ATOM 0 H VAL A 48 26.109 1.960 4.151 1.00 6.32 H new ATOM 0 HA VAL A 48 24.364 4.177 3.743 1.00 6.92 H new ATOM 0 HB VAL A 48 25.145 4.887 5.989 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.210 2.955 7.207 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.259 3.350 5.756 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.372 1.962 5.739 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.620 3.400 7.280 1.00 8.67 H new ATOM 0 HG22 VAL A 48 26.901 2.423 5.819 1.00 8.67 H new ATOM 0 HG23 VAL A 48 27.452 4.114 5.878 1.00 8.67 H new ATOM 786 N GLN A 49 27.564 4.539 3.294 1.00 8.03 N ATOM 787 CA GLN A 49 28.615 5.434 2.846 1.00 8.97 C ATOM 788 C GLN A 49 28.262 6.050 1.497 1.00 8.65 C ATOM 789 O GLN A 49 28.336 7.268 1.326 1.00 9.36 O ATOM 790 CB GLN A 49 29.936 4.677 2.747 1.00 9.65 C ATOM 791 CG GLN A 49 31.127 5.575 2.483 1.00 10.72 C ATOM 792 CD GLN A 49 32.425 4.802 2.387 1.00 11.48 C ATOM 793 OE1 GLN A 49 33.114 4.599 3.383 1.00 11.55 O ATOM 794 NE2 GLN A 49 32.771 4.370 1.187 1.00 12.22 N ATOM 0 H GLN A 49 27.837 3.557 3.328 1.00 8.03 H new ATOM 0 HA GLN A 49 28.717 6.239 3.574 1.00 8.97 H new ATOM 0 HB2 GLN A 49 30.102 4.129 3.674 1.00 9.65 H new ATOM 0 HB3 GLN A 49 29.864 3.938 1.949 1.00 9.65 H new ATOM 0 HG2 GLN A 49 30.965 6.124 1.555 1.00 10.72 H new ATOM 0 HG3 GLN A 49 31.206 6.313 3.281 1.00 10.72 H new ATOM 0 HE21 GLN A 49 32.171 4.559 0.384 1.00 12.22 H new ATOM 0 HE22 GLN A 49 33.638 3.847 1.064 1.00 12.22 H new ATOM 803 N ASN A 50 27.852 5.204 0.552 1.00 7.73 N ATOM 804 CA ASN A 50 27.524 5.651 -0.805 1.00 7.72 C ATOM 805 C ASN A 50 26.143 6.291 -0.859 1.00 7.17 C ATOM 806 O ASN A 50 25.683 6.715 -1.924 1.00 7.27 O ATOM 807 CB ASN A 50 27.596 4.481 -1.797 1.00 7.34 C ATOM 808 CG ASN A 50 26.539 3.418 -1.547 1.00 7.66 C ATOM 809 OD1 ASN A 50 26.767 2.471 -0.806 1.00 8.30 O ATOM 810 ND2 ASN A 50 25.383 3.552 -2.181 1.00 7.49 N ATOM 0 H ASN A 50 27.738 4.201 0.701 1.00 7.73 H new ATOM 0 HA ASN A 50 28.262 6.401 -1.088 1.00 7.72 H new ATOM 0 HB2 ASN A 50 27.483 4.865 -2.811 1.00 7.34 H new ATOM 0 HB3 ASN A 50 28.583 4.023 -1.738 1.00 7.34 H new ATOM 0 HD21 ASN A 50 24.650 2.853 -2.058 1.00 7.49 H new ATOM 0 HD22 ASN A 50 25.226 4.354 -2.791 1.00 7.49 H new ATOM 817 N ALA A 51 25.485 6.364 0.284 1.00 6.83 N ATOM 818 CA ALA A 51 24.182 6.987 0.360 1.00 6.42 C ATOM 819 C ALA A 51 24.343 8.481 0.575 1.00 7.39 C ATOM 820 O ALA A 51 25.360 8.937 1.098 1.00 8.36 O ATOM 821 CB ALA A 51 23.362 6.366 1.479 1.00 5.86 C ATOM 0 H ALA A 51 25.834 5.999 1.170 1.00 6.83 H new ATOM 0 HA ALA A 51 23.651 6.822 -0.578 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.384 6.846 1.523 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.235 5.300 1.289 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.878 6.506 2.429 1.00 5.86 H new ATOM 827 N ASN A 52 23.357 9.241 0.136 1.00 7.23 N ATOM 828 CA ASN A 52 23.349 10.680 0.344 1.00 8.14 C ATOM 829 C ASN A 52 23.201 10.988 1.828 1.00 8.57 C ATOM 830 O ASN A 52 22.413 10.334 2.512 1.00 8.09 O ATOM 831 CB ASN A 52 22.212 11.318 -0.462 1.00 7.94 C ATOM 832 CG ASN A 52 22.008 12.792 -0.156 1.00 8.81 C ATOM 833 OD1 ASN A 52 22.698 13.654 -0.694 1.00 9.40 O ATOM 834 ND2 ASN A 52 21.028 13.095 0.684 1.00 9.07 N ATOM 0 H ASN A 52 22.546 8.885 -0.370 1.00 7.23 H new ATOM 0 HA ASN A 52 24.293 11.101 -0.002 1.00 8.14 H new ATOM 0 HB2 ASN A 52 22.420 11.201 -1.525 1.00 7.94 H new ATOM 0 HB3 ASN A 52 21.286 10.781 -0.258 1.00 7.94 H new ATOM 0 HD21 ASN A 52 20.827 14.071 0.902 1.00 9.07 H new ATOM 0 HD22 ASN A 52 20.475 12.352 1.112 1.00 9.07 H new ATOM 841 N PRO A 53 23.977 11.965 2.338 1.00 9.68 N ATOM 842 CA PRO A 53 24.005 12.337 3.760 1.00 10.41 C ATOM 843 C PRO A 53 22.642 12.270 4.451 1.00 10.13 C ATOM 844 O PRO A 53 22.507 11.647 5.504 1.00 10.29 O ATOM 845 CB PRO A 53 24.496 13.777 3.707 1.00 11.56 C ATOM 846 CG PRO A 53 25.414 13.823 2.534 1.00 11.66 C ATOM 847 CD PRO A 53 24.925 12.785 1.555 1.00 10.51 C ATOM 0 HA PRO A 53 24.624 11.653 4.340 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.666 14.474 3.588 1.00 11.56 H new ATOM 0 HB3 PRO A 53 25.014 14.052 4.626 1.00 11.56 H new ATOM 0 HG2 PRO A 53 25.411 14.814 2.080 1.00 11.66 H new ATOM 0 HG3 PRO A 53 26.440 13.615 2.838 1.00 11.66 H new ATOM 0 HD2 PRO A 53 24.437 13.246 0.696 1.00 10.51 H new ATOM 0 HD3 PRO A 53 25.748 12.183 1.169 1.00 10.51 H new ATOM 855 N ASP A 54 21.639 12.880 3.832 1.00 9.86 N ATOM 856 CA ASP A 54 20.304 12.992 4.428 1.00 9.76 C ATOM 857 C ASP A 54 19.657 11.623 4.630 1.00 8.93 C ATOM 858 O ASP A 54 18.861 11.426 5.549 1.00 9.26 O ATOM 859 CB ASP A 54 19.418 13.850 3.531 1.00 9.71 C ATOM 860 CG ASP A 54 18.465 14.728 4.318 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.777 15.062 5.483 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.390 15.072 3.784 1.00 9.67 O ATOM 0 H ASP A 54 21.721 13.309 2.910 1.00 9.86 H new ATOM 0 HA ASP A 54 20.411 13.458 5.408 1.00 9.76 H new ATOM 0 HB2 ASP A 54 20.047 14.478 2.900 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.845 13.203 2.867 1.00 9.71 H new ATOM 867 N CYS A 55 20.018 10.684 3.773 1.00 8.04 N ATOM 868 CA CYS A 55 19.451 9.339 3.811 1.00 7.30 C ATOM 869 C CYS A 55 20.174 8.464 4.833 1.00 7.57 C ATOM 870 O CYS A 55 19.554 7.721 5.586 1.00 7.74 O ATOM 871 CB CYS A 55 19.554 8.693 2.427 1.00 6.46 C ATOM 872 SG CYS A 55 18.963 9.739 1.075 1.00 6.30 S ATOM 0 H CYS A 55 20.707 10.826 3.035 1.00 8.04 H new ATOM 0 HA CYS A 55 18.405 9.422 4.105 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.594 8.428 2.238 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.984 7.764 2.429 1.00 6.46 H new ATOM 0 HG CYS A 55 19.094 9.106 -0.053 1.00 6.30 H new ATOM 878 N LYS A 56 21.490 8.558 4.856 1.00 7.87 N ATOM 879 CA LYS A 56 22.301 7.714 5.727 1.00 8.36 C ATOM 880 C LYS A 56 22.269 8.199 7.171 1.00 9.50 C ATOM 881 O LYS A 56 22.310 7.393 8.102 1.00 10.04 O ATOM 882 CB LYS A 56 23.737 7.672 5.219 1.00 8.58 C ATOM 883 CG LYS A 56 24.382 9.041 5.145 1.00 8.84 C ATOM 884 CD LYS A 56 25.489 9.078 4.121 1.00 8.68 C ATOM 885 CE LYS A 56 26.852 8.854 4.751 1.00 9.50 C ATOM 886 NZ LYS A 56 27.948 8.992 3.759 1.00 9.81 N ATOM 0 H LYS A 56 22.025 9.210 4.282 1.00 7.87 H new ATOM 0 HA LYS A 56 21.879 6.709 5.707 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.329 7.033 5.874 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.753 7.216 4.229 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.628 9.786 4.893 1.00 8.84 H new ATOM 0 HG3 LYS A 56 24.781 9.309 6.123 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.309 8.314 3.364 1.00 8.68 H new ATOM 0 HD3 LYS A 56 25.479 10.041 3.611 1.00 8.68 H new ATOM 0 HE2 LYS A 56 27.001 9.570 5.559 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.888 7.860 5.196 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 28.865 8.882 4.237 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.849 8.259 3.028 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 27.899 9.932 3.316 1.00 9.81 H new ATOM 900 N THR A 57 22.203 9.516 7.351 1.00 9.98 N ATOM 901 CA THR A 57 22.169 10.101 8.692 1.00 11.08 C ATOM 902 C THR A 57 21.000 9.546 9.515 1.00 11.16 C ATOM 903 O THR A 57 21.108 9.396 10.731 1.00 12.08 O ATOM 904 CB THR A 57 22.100 11.651 8.651 1.00 11.53 C ATOM 905 OG1 THR A 57 22.249 12.191 9.973 1.00 12.00 O ATOM 906 CG2 THR A 57 20.787 12.137 8.061 1.00 12.46 C ATOM 0 H THR A 57 22.172 10.196 6.591 1.00 9.98 H new ATOM 0 HA THR A 57 23.104 9.818 9.176 1.00 11.08 H new ATOM 0 HB THR A 57 22.915 11.996 8.015 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.205 13.169 9.934 1.00 12.00 H new ATOM 0 HG21 THR A 57 20.775 13.227 8.049 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.684 11.761 7.043 1.00 12.46 H new ATOM 0 HG23 THR A 57 19.958 11.772 8.668 1.00 12.46 H new ATOM 914 N ILE A 58 19.895 9.223 8.852 1.00 10.34 N ATOM 915 CA ILE A 58 18.744 8.672 9.550 1.00 10.60 C ATOM 916 C ILE A 58 18.871 7.160 9.704 1.00 10.65 C ATOM 917 O ILE A 58 18.514 6.615 10.740 1.00 11.46 O ATOM 918 CB ILE A 58 17.415 9.010 8.843 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.431 8.508 7.399 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.160 10.511 8.885 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.115 8.665 6.676 1.00 8.44 C ATOM 0 H ILE A 58 19.774 9.332 7.845 1.00 10.34 H new ATOM 0 HA ILE A 58 18.728 9.136 10.536 1.00 10.60 H new ATOM 0 HB ILE A 58 16.605 8.506 9.370 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.202 9.046 6.848 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.712 7.455 7.395 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.219 10.734 8.382 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.105 10.842 9.922 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.973 11.033 8.381 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.211 8.285 5.659 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.342 8.104 7.201 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.840 9.719 6.645 1.00 8.44 H new ATOM 933 N LEU A 59 19.400 6.496 8.677 1.00 9.90 N ATOM 934 CA LEU A 59 19.575 5.041 8.694 1.00 9.98 C ATOM 935 C LEU A 59 20.286 4.566 9.954 1.00 11.20 C ATOM 936 O LEU A 59 19.851 3.615 10.603 1.00 11.84 O ATOM 937 CB LEU A 59 20.365 4.576 7.467 1.00 9.07 C ATOM 938 CG LEU A 59 19.584 4.548 6.155 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.503 4.193 4.996 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.441 3.552 6.246 1.00 7.92 C ATOM 0 H LEU A 59 19.717 6.944 7.817 1.00 9.90 H new ATOM 0 HA LEU A 59 18.576 4.605 8.677 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.228 5.231 7.342 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.750 3.575 7.662 1.00 9.07 H new ATOM 0 HG LEU A 59 19.170 5.540 5.976 1.00 7.91 H new ATOM 0 HD11 LEU A 59 19.930 4.178 4.069 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.296 4.936 4.920 1.00 7.28 H new ATOM 0 HD13 LEU A 59 20.942 3.210 5.168 1.00 7.28 H new ATOM 0 HD21 LEU A 59 17.892 3.541 5.305 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.840 2.557 6.445 1.00 7.92 H new ATOM 0 HD23 LEU A 59 17.770 3.842 7.054 1.00 7.92 H new ATOM 952 N LYS A 60 21.366 5.243 10.308 1.00 11.67 N ATOM 953 CA LYS A 60 22.179 4.834 11.448 1.00 12.90 C ATOM 954 C LYS A 60 21.458 5.091 12.770 1.00 13.86 C ATOM 955 O LYS A 60 21.721 4.425 13.769 1.00 14.91 O ATOM 956 CB LYS A 60 23.534 5.548 11.410 1.00 13.23 C ATOM 957 CG LYS A 60 23.436 7.067 11.446 1.00 13.20 C ATOM 958 CD LYS A 60 24.678 7.723 10.860 1.00 13.44 C ATOM 959 CE LYS A 60 25.945 7.346 11.620 1.00 14.35 C ATOM 960 NZ LYS A 60 25.944 7.866 13.013 1.00 14.91 N ATOM 0 H LYS A 60 21.702 6.077 9.826 1.00 11.67 H new ATOM 0 HA LYS A 60 22.349 3.760 11.379 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.133 5.213 12.257 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.065 5.250 10.506 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.556 7.389 10.888 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.300 7.399 12.475 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.783 7.429 9.815 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.556 8.806 10.876 1.00 13.44 H new ATOM 0 HE2 LYS A 60 26.045 6.261 11.640 1.00 14.35 H new ATOM 0 HE3 LYS A 60 26.814 7.736 11.090 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 26.859 7.658 13.462 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 25.791 8.895 12.999 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 25.182 7.410 13.553 1.00 14.91 H new ATOM 974 N ALA A 61 20.539 6.048 12.768 1.00 13.54 N ATOM 975 CA ALA A 61 19.743 6.342 13.954 1.00 14.41 C ATOM 976 C ALA A 61 18.541 5.408 14.032 1.00 14.65 C ATOM 977 O ALA A 61 18.091 5.038 15.118 1.00 15.64 O ATOM 978 CB ALA A 61 19.291 7.794 13.943 1.00 14.06 C ATOM 0 H ALA A 61 20.326 6.633 11.960 1.00 13.54 H new ATOM 0 HA ALA A 61 20.362 6.181 14.836 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.698 7.997 14.835 1.00 14.06 H new ATOM 0 HB2 ALA A 61 20.164 8.447 13.931 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.687 7.980 13.055 1.00 14.06 H new ATOM 984 N LEU A 62 18.024 5.040 12.868 1.00 13.84 N ATOM 985 CA LEU A 62 16.888 4.138 12.773 1.00 14.21 C ATOM 986 C LEU A 62 17.283 2.709 13.106 1.00 14.97 C ATOM 987 O LEU A 62 16.562 2.030 13.832 1.00 15.72 O ATOM 988 CB LEU A 62 16.310 4.186 11.364 1.00 13.37 C ATOM 989 CG LEU A 62 15.681 5.515 10.965 1.00 12.15 C ATOM 990 CD1 LEU A 62 15.402 5.531 9.475 1.00 11.39 C ATOM 991 CD2 LEU A 62 14.405 5.757 11.752 1.00 12.25 C ATOM 0 H LEU A 62 18.380 5.358 11.966 1.00 13.84 H new ATOM 0 HA LEU A 62 16.140 4.464 13.496 1.00 14.21 H new ATOM 0 HB2 LEU A 62 17.104 3.951 10.655 1.00 13.37 H new ATOM 0 HB3 LEU A 62 15.557 3.404 11.271 1.00 13.37 H new ATOM 0 HG LEU A 62 16.380 6.318 11.197 1.00 12.15 H new ATOM 0 HD11 LEU A 62 14.952 6.485 9.199 1.00 11.39 H new ATOM 0 HD12 LEU A 62 16.336 5.398 8.929 1.00 11.39 H new ATOM 0 HD13 LEU A 62 14.717 4.721 9.224 1.00 11.39 H new ATOM 0 HD21 LEU A 62 13.969 6.711 11.454 1.00 12.25 H new ATOM 0 HD22 LEU A 62 13.695 4.955 11.550 1.00 12.25 H new ATOM 0 HD23 LEU A 62 14.633 5.779 12.818 1.00 12.25 H new ATOM 1055 N LEU A 68 14.017 -3.341 8.170 1.00 12.22 N ATOM 1056 CA LEU A 68 14.312 -3.010 6.783 1.00 11.25 C ATOM 1057 C LEU A 68 13.174 -2.193 6.178 1.00 11.10 C ATOM 1058 O LEU A 68 13.408 -1.162 5.548 1.00 10.12 O ATOM 1059 CB LEU A 68 14.551 -4.298 5.976 1.00 11.69 C ATOM 1060 CG LEU A 68 15.236 -4.139 4.605 1.00 10.84 C ATOM 1061 CD1 LEU A 68 14.272 -3.602 3.556 1.00 10.70 C ATOM 1062 CD2 LEU A 68 16.456 -3.235 4.716 1.00 9.79 C ATOM 0 HA LEU A 68 15.218 -2.405 6.747 1.00 11.25 H new ATOM 0 HB2 LEU A 68 15.156 -4.972 6.582 1.00 11.69 H new ATOM 0 HB3 LEU A 68 13.589 -4.786 5.821 1.00 11.69 H new ATOM 0 HG LEU A 68 15.560 -5.129 4.284 1.00 10.84 H new ATOM 0 HD11 LEU A 68 14.790 -3.503 2.602 1.00 10.70 H new ATOM 0 HD12 LEU A 68 13.435 -4.291 3.444 1.00 10.70 H new ATOM 0 HD13 LEU A 68 13.900 -2.627 3.869 1.00 10.70 H new ATOM 0 HD21 LEU A 68 16.925 -3.136 3.737 1.00 9.79 H new ATOM 0 HD22 LEU A 68 16.149 -2.252 5.073 1.00 9.79 H new ATOM 0 HD23 LEU A 68 17.168 -3.669 5.418 1.00 9.79 H new ATOM 1074 N GLU A 69 11.943 -2.634 6.409 1.00 12.16 N ATOM 1075 CA GLU A 69 10.780 -2.018 5.782 1.00 12.26 C ATOM 1076 C GLU A 69 10.631 -0.541 6.154 1.00 11.96 C ATOM 1077 O GLU A 69 10.342 0.292 5.289 1.00 11.57 O ATOM 1078 CB GLU A 69 9.495 -2.773 6.142 1.00 13.61 C ATOM 1079 CG GLU A 69 9.174 -2.781 7.629 1.00 14.60 C ATOM 1080 CD GLU A 69 7.767 -3.254 7.919 1.00 15.86 C ATOM 1081 OE1 GLU A 69 7.602 -4.400 8.392 1.00 16.53 O ATOM 1082 OE2 GLU A 69 6.815 -2.475 7.681 1.00 16.24 O ATOM 0 H GLU A 69 11.724 -3.416 7.026 1.00 12.16 H new ATOM 0 HA GLU A 69 10.943 -2.077 4.706 1.00 12.26 H new ATOM 0 HB2 GLU A 69 8.660 -2.324 5.604 1.00 13.61 H new ATOM 0 HB3 GLU A 69 9.582 -3.803 5.795 1.00 13.61 H new ATOM 0 HG2 GLU A 69 9.884 -3.426 8.146 1.00 14.60 H new ATOM 0 HG3 GLU A 69 9.305 -1.776 8.030 1.00 14.60 H new ATOM 1089 N GLU A 70 10.845 -0.201 7.420 1.00 12.26 N ATOM 1090 CA GLU A 70 10.573 1.154 7.872 1.00 12.19 C ATOM 1091 C GLU A 70 11.753 2.086 7.609 1.00 10.92 C ATOM 1092 O GLU A 70 11.582 3.299 7.560 1.00 10.57 O ATOM 1093 CB GLU A 70 10.164 1.174 9.346 1.00 13.06 C ATOM 1094 CG GLU A 70 11.165 0.543 10.288 1.00 14.21 C ATOM 1095 CD GLU A 70 10.693 0.572 11.728 1.00 15.02 C ATOM 1096 OE1 GLU A 70 10.879 1.608 12.400 1.00 15.56 O ATOM 1097 OE2 GLU A 70 10.135 -0.441 12.196 1.00 15.23 O ATOM 0 H GLU A 70 11.199 -0.833 8.138 1.00 12.26 H new ATOM 0 HA GLU A 70 9.732 1.528 7.289 1.00 12.19 H new ATOM 0 HB2 GLU A 70 10.001 2.208 9.650 1.00 13.06 H new ATOM 0 HB3 GLU A 70 9.210 0.657 9.451 1.00 13.06 H new ATOM 0 HG2 GLU A 70 11.344 -0.489 9.987 1.00 14.21 H new ATOM 0 HG3 GLU A 70 12.117 1.068 10.209 1.00 14.21 H new ATOM 1104 N MET A 71 12.946 1.530 7.432 1.00 10.30 N ATOM 1105 CA MET A 71 14.096 2.342 7.047 1.00 9.14 C ATOM 1106 C MET A 71 14.124 2.514 5.530 1.00 8.31 C ATOM 1107 O MET A 71 14.579 3.534 5.018 1.00 7.58 O ATOM 1108 CB MET A 71 15.417 1.738 7.544 1.00 8.85 C ATOM 1109 CG MET A 71 15.780 0.406 6.908 1.00 8.69 C ATOM 1110 SD MET A 71 17.418 -0.177 7.391 1.00 8.41 S ATOM 1111 CE MET A 71 17.255 -0.217 9.176 1.00 8.50 C ATOM 0 H MET A 71 13.142 0.536 7.547 1.00 10.30 H new ATOM 0 HA MET A 71 13.990 3.318 7.520 1.00 9.14 H new ATOM 0 HB2 MET A 71 16.221 2.449 7.353 1.00 8.85 H new ATOM 0 HB3 MET A 71 15.358 1.606 8.624 1.00 8.85 H new ATOM 0 HG2 MET A 71 15.037 -0.340 7.189 1.00 8.69 H new ATOM 0 HG3 MET A 71 15.740 0.504 5.823 1.00 8.69 H new ATOM 0 HE1 MET A 71 17.854 -1.034 9.578 1.00 8.50 H new ATOM 0 HE2 MET A 71 17.603 0.728 9.594 1.00 8.50 H new ATOM 0 HE3 MET A 71 16.209 -0.369 9.443 1.00 8.50 H new ATOM 1121 N MET A 72 13.616 1.507 4.825 1.00 8.67 N ATOM 1122 CA MET A 72 13.490 1.563 3.373 1.00 8.32 C ATOM 1123 C MET A 72 12.502 2.649 2.979 1.00 8.63 C ATOM 1124 O MET A 72 12.802 3.524 2.164 1.00 8.10 O ATOM 1125 CB MET A 72 13.016 0.207 2.834 1.00 9.08 C ATOM 1126 CG MET A 72 12.786 0.181 1.330 1.00 9.10 C ATOM 1127 SD MET A 72 12.133 -1.397 0.750 1.00 10.28 S ATOM 1128 CE MET A 72 10.572 -1.472 1.629 1.00 11.15 C ATOM 0 H MET A 72 13.283 0.637 5.240 1.00 8.67 H new ATOM 0 HA MET A 72 14.464 1.795 2.943 1.00 8.32 H new ATOM 0 HB2 MET A 72 13.755 -0.552 3.091 1.00 9.08 H new ATOM 0 HB3 MET A 72 12.089 -0.068 3.337 1.00 9.08 H new ATOM 0 HG2 MET A 72 12.093 0.977 1.059 1.00 9.10 H new ATOM 0 HG3 MET A 72 13.726 0.390 0.820 1.00 9.10 H new ATOM 0 HE1 MET A 72 9.791 -1.824 0.955 1.00 11.15 H new ATOM 0 HE2 MET A 72 10.661 -2.158 2.471 1.00 11.15 H new ATOM 0 HE3 MET A 72 10.313 -0.479 1.996 1.00 11.15 H new ATOM 1138 N THR A 73 11.334 2.594 3.592 1.00 9.62 N ATOM 1139 CA THR A 73 10.274 3.558 3.338 1.00 10.09 C ATOM 1140 C THR A 73 10.679 4.956 3.819 1.00 9.53 C ATOM 1141 O THR A 73 10.171 5.969 3.335 1.00 9.49 O ATOM 1142 CB THR A 73 8.972 3.118 4.036 1.00 11.37 C ATOM 1143 OG1 THR A 73 8.653 1.767 3.664 1.00 12.02 O ATOM 1144 CG2 THR A 73 7.815 4.032 3.670 1.00 11.93 C ATOM 0 H THR A 73 11.091 1.881 4.280 1.00 9.62 H new ATOM 0 HA THR A 73 10.105 3.599 2.262 1.00 10.09 H new ATOM 0 HB THR A 73 9.129 3.178 5.113 1.00 11.37 H new ATOM 0 HG1 THR A 73 9.180 1.145 4.208 1.00 12.02 H new ATOM 0 HG21 THR A 73 6.911 3.696 4.178 1.00 11.93 H new ATOM 0 HG22 THR A 73 8.046 5.052 3.977 1.00 11.93 H new ATOM 0 HG23 THR A 73 7.657 4.005 2.592 1.00 11.93 H new ATOM 1152 N ALA A 74 11.617 5.000 4.754 1.00 9.27 N ATOM 1153 CA ALA A 74 12.085 6.258 5.319 1.00 9.02 C ATOM 1154 C ALA A 74 13.046 6.983 4.381 1.00 8.01 C ATOM 1155 O ALA A 74 13.137 8.210 4.405 1.00 8.00 O ATOM 1156 CB ALA A 74 12.759 6.003 6.658 1.00 9.32 C ATOM 0 H ALA A 74 12.072 4.173 5.140 1.00 9.27 H new ATOM 0 HA ALA A 74 11.216 6.901 5.460 1.00 9.02 H new ATOM 0 HB1 ALA A 74 13.107 6.948 7.076 1.00 9.32 H new ATOM 0 HB2 ALA A 74 12.046 5.544 7.343 1.00 9.32 H new ATOM 0 HB3 ALA A 74 13.608 5.334 6.516 1.00 9.32 H new ATOM 1162 N CYS A 75 13.765 6.232 3.558 1.00 7.31 N ATOM 1163 CA CYS A 75 14.783 6.824 2.696 1.00 6.51 C ATOM 1164 C CYS A 75 14.257 7.077 1.289 1.00 6.63 C ATOM 1165 O CYS A 75 14.888 7.781 0.502 1.00 6.46 O ATOM 1166 CB CYS A 75 16.015 5.925 2.647 1.00 5.86 C ATOM 1167 SG CYS A 75 16.739 5.605 4.269 1.00 6.16 S ATOM 0 H CYS A 75 13.665 5.221 3.468 1.00 7.31 H new ATOM 0 HA CYS A 75 15.057 7.789 3.121 1.00 6.51 H new ATOM 0 HB2 CYS A 75 15.744 4.976 2.185 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.767 6.387 2.007 1.00 5.86 H new ATOM 0 HG CYS A 75 16.037 4.703 4.887 1.00 6.16 H new ATOM 1173 N GLN A 76 13.107 6.506 0.964 1.00 7.27 N ATOM 1174 CA GLN A 76 12.503 6.754 -0.333 1.00 7.76 C ATOM 1175 C GLN A 76 11.776 8.093 -0.320 1.00 8.19 C ATOM 1176 O GLN A 76 10.836 8.303 0.448 1.00 8.73 O ATOM 1177 CB GLN A 76 11.581 5.592 -0.751 1.00 8.60 C ATOM 1178 CG GLN A 76 10.474 5.249 0.236 1.00 9.19 C ATOM 1179 CD GLN A 76 9.165 5.961 -0.053 1.00 10.10 C ATOM 1180 OE1 GLN A 76 8.852 6.272 -1.204 1.00 10.49 O ATOM 1181 NE2 GLN A 76 8.393 6.229 0.988 1.00 10.66 N ATOM 0 H GLN A 76 12.581 5.877 1.571 1.00 7.27 H new ATOM 0 HA GLN A 76 13.290 6.809 -1.085 1.00 7.76 H new ATOM 0 HB2 GLN A 76 11.126 5.839 -1.710 1.00 8.60 H new ATOM 0 HB3 GLN A 76 12.193 4.704 -0.908 1.00 8.60 H new ATOM 0 HG2 GLN A 76 10.304 4.172 0.220 1.00 9.19 H new ATOM 0 HG3 GLN A 76 10.803 5.505 1.243 1.00 9.19 H new ATOM 0 HE21 GLN A 76 8.688 5.955 1.925 1.00 10.66 H new ATOM 0 HE22 GLN A 76 7.503 6.709 0.853 1.00 10.66 H new ATOM 1190 N GLY A 77 12.249 9.013 -1.147 1.00 8.13 N ATOM 1191 CA GLY A 77 11.687 10.346 -1.174 1.00 8.58 C ATOM 1192 C GLY A 77 11.929 11.084 0.125 1.00 8.30 C ATOM 1193 O GLY A 77 10.978 11.490 0.794 1.00 8.85 O ATOM 0 H GLY A 77 13.015 8.859 -1.802 1.00 8.13 H new ATOM 0 HA2 GLY A 77 12.125 10.908 -1.999 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.615 10.285 -1.363 1.00 8.58 H new ATOM 1197 N VAL A 78 13.197 11.239 0.489 1.00 7.65 N ATOM 1198 CA VAL A 78 13.554 11.951 1.708 1.00 7.69 C ATOM 1199 C VAL A 78 13.063 13.390 1.620 1.00 8.18 C ATOM 1200 O VAL A 78 13.566 14.185 0.821 1.00 8.24 O ATOM 1201 CB VAL A 78 15.077 11.945 1.962 1.00 7.30 C ATOM 1202 CG1 VAL A 78 15.396 12.497 3.342 1.00 7.56 C ATOM 1203 CG2 VAL A 78 15.643 10.544 1.809 1.00 7.23 C ATOM 0 H VAL A 78 13.992 10.882 -0.041 1.00 7.65 H new ATOM 0 HA VAL A 78 13.076 11.435 2.541 1.00 7.69 H new ATOM 0 HB VAL A 78 15.545 12.589 1.217 1.00 7.30 H new ATOM 0 HG11 VAL A 78 16.475 12.483 3.499 1.00 7.56 H new ATOM 0 HG12 VAL A 78 15.031 13.521 3.417 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.911 11.883 4.101 1.00 7.56 H new ATOM 0 HG21 VAL A 78 16.717 10.564 1.992 1.00 7.23 H new ATOM 0 HG22 VAL A 78 15.164 9.878 2.527 1.00 7.23 H new ATOM 0 HG23 VAL A 78 15.454 10.184 0.798 1.00 7.23 H new