USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 386 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc=-0.00372 K(o=-0.0037,f=-0.95) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0669 K(o=-0.067,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0444) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 57 ASN : amide:sc= -1.53! C(o=-1.5!,f=-2.2!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -1.353 -8.447 -1.972 1.00 0.00 N ATOM 89 CA ALA A 9 -1.207 -7.131 -2.582 1.00 0.00 C ATOM 90 C ALA A 9 -1.848 -6.050 -1.718 1.00 0.00 C ATOM 91 O ALA A 9 -2.686 -6.341 -0.865 1.00 0.00 O ATOM 92 CB ALA A 9 -1.816 -7.125 -3.976 1.00 0.00 C ATOM 0 HA ALA A 9 -0.142 -6.911 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.700 -6.136 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.309 -7.863 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.876 -7.371 -3.911 1.00 0.00 H new ATOM 98 N ALA A 10 -1.448 -4.803 -1.945 1.00 0.00 N ATOM 99 CA ALA A 10 -1.985 -3.679 -1.188 1.00 0.00 C ATOM 100 C ALA A 10 -2.281 -2.494 -2.100 1.00 0.00 C ATOM 101 O ALA A 10 -1.449 -2.108 -2.921 1.00 0.00 O ATOM 102 CB ALA A 10 -1.015 -3.272 -0.088 1.00 0.00 C ATOM 0 H ALA A 10 -0.754 -4.546 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.923 -3.995 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.429 -2.432 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.857 -4.113 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.063 -2.980 -0.532 1.00 0.00 H new ATOM 108 N ARG A 11 -3.471 -1.922 -1.952 1.00 0.00 N ATOM 109 CA ARG A 11 -3.877 -0.782 -2.765 1.00 0.00 C ATOM 110 C ARG A 11 -3.553 0.532 -2.059 1.00 0.00 C ATOM 111 O ARG A 11 -3.539 0.601 -0.829 1.00 0.00 O ATOM 112 CB ARG A 11 -5.375 -0.853 -3.070 1.00 0.00 C ATOM 113 CG ARG A 11 -5.796 0.001 -4.254 1.00 0.00 C ATOM 114 CD ARG A 11 -7.158 -0.418 -4.786 1.00 0.00 C ATOM 115 NE ARG A 11 -8.212 -0.245 -3.790 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.504 -0.408 -4.052 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.899 -0.748 -5.271 1.00 0.00 N ATOM 118 NH2 ARG A 11 -10.403 -0.232 -3.092 1.00 0.00 N ATOM 0 H ARG A 11 -4.171 -2.229 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.320 -0.819 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.649 -1.890 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.932 -0.537 -2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.827 1.049 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.053 -0.083 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.397 0.169 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.120 -1.462 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.941 0.015 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.210 -0.885 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.892 -0.872 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.102 0.028 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.395 -0.357 -3.293 1.00 0.00 H new ATOM 132 N LEU A 12 -3.293 1.571 -2.844 1.00 0.00 N ATOM 133 CA LEU A 12 -2.968 2.883 -2.295 1.00 0.00 C ATOM 134 C LEU A 12 -4.204 3.541 -1.691 1.00 0.00 C ATOM 135 O LEU A 12 -5.151 3.880 -2.402 1.00 0.00 O ATOM 136 CB LEU A 12 -2.378 3.781 -3.384 1.00 0.00 C ATOM 137 CG LEU A 12 -0.859 3.725 -3.551 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.165 4.259 -2.308 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.408 2.302 -3.846 1.00 0.00 C ATOM 0 H LEU A 12 -3.301 1.531 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.229 2.747 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.838 3.514 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.662 4.811 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.582 4.356 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.915 4.211 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.464 5.294 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.448 3.655 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.676 2.280 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.698 1.650 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.878 1.955 -4.766 1.00 0.00 H new ATOM 151 N LYS A 13 -4.188 3.722 -0.375 1.00 0.00 N ATOM 152 CA LYS A 13 -5.305 4.343 0.326 1.00 0.00 C ATOM 153 C LYS A 13 -5.559 5.754 -0.196 1.00 0.00 C ATOM 154 O LYS A 13 -6.663 6.284 -0.070 1.00 0.00 O ATOM 155 CB LYS A 13 -5.029 4.387 1.831 1.00 0.00 C ATOM 156 CG LYS A 13 -5.476 3.137 2.568 1.00 0.00 C ATOM 157 CD LYS A 13 -6.987 3.093 2.726 1.00 0.00 C ATOM 158 CE LYS A 13 -7.448 3.924 3.914 1.00 0.00 C ATOM 159 NZ LYS A 13 -8.919 4.151 3.894 1.00 0.00 N ATOM 0 H LYS A 13 -3.413 3.447 0.228 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.195 3.741 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.961 4.531 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.535 5.252 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.140 2.254 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.005 3.105 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.460 3.463 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.310 2.060 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.171 3.419 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.932 4.884 3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.194 4.721 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.181 4.655 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.412 3.236 3.926 1.00 0.00 H new ATOM 173 N PHE A 14 -4.530 6.356 -0.783 1.00 0.00 N ATOM 174 CA PHE A 14 -4.642 7.705 -1.325 1.00 0.00 C ATOM 175 C PHE A 14 -3.519 7.987 -2.319 1.00 0.00 C ATOM 176 O PHE A 14 -2.635 7.155 -2.526 1.00 0.00 O ATOM 177 CB PHE A 14 -4.609 8.736 -0.195 1.00 0.00 C ATOM 178 CG PHE A 14 -5.585 8.447 0.909 1.00 0.00 C ATOM 179 CD1 PHE A 14 -6.905 8.856 0.809 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.183 7.765 2.046 1.00 0.00 C ATOM 181 CE1 PHE A 14 -7.805 8.592 1.825 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.078 7.498 3.064 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.391 7.911 2.953 1.00 0.00 C ATOM 0 H PHE A 14 -3.610 5.931 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.595 7.781 -1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.602 8.774 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.821 9.722 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.235 9.387 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.158 7.438 2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.831 8.918 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.751 6.967 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.093 7.702 3.747 1.00 0.00 H new ATOM 193 N ASP A 15 -3.561 9.165 -2.931 1.00 0.00 N ATOM 194 CA ASP A 15 -2.547 9.558 -3.903 1.00 0.00 C ATOM 195 C ASP A 15 -1.230 9.891 -3.210 1.00 0.00 C ATOM 196 O ASP A 15 -1.177 10.758 -2.337 1.00 0.00 O ATOM 197 CB ASP A 15 -3.028 10.761 -4.716 1.00 0.00 C ATOM 198 CG ASP A 15 -4.452 10.594 -5.210 1.00 0.00 C ATOM 199 OD1 ASP A 15 -5.386 10.772 -4.401 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.632 10.285 -6.407 1.00 0.00 O ATOM 0 H ASP A 15 -4.286 9.865 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.380 8.717 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.962 11.660 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.365 10.908 -5.569 1.00 0.00 H new ATOM 205 N PHE A 16 -0.167 9.197 -3.604 1.00 0.00 N ATOM 206 CA PHE A 16 1.150 9.417 -3.019 1.00 0.00 C ATOM 207 C PHE A 16 2.063 10.152 -3.996 1.00 0.00 C ATOM 208 O PHE A 16 2.117 9.820 -5.180 1.00 0.00 O ATOM 209 CB PHE A 16 1.783 8.083 -2.617 1.00 0.00 C ATOM 210 CG PHE A 16 3.175 8.220 -2.071 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.480 9.219 -1.159 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.178 7.351 -2.468 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.761 9.348 -0.655 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.461 7.475 -1.967 1.00 0.00 C ATOM 215 CZ PHE A 16 5.752 8.474 -1.059 1.00 0.00 C ATOM 0 H PHE A 16 -0.192 8.477 -4.326 1.00 0.00 H new ATOM 0 HA PHE A 16 1.026 10.035 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.153 7.602 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.805 7.424 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.709 9.904 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.955 6.567 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.987 10.131 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.234 6.792 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.753 8.572 -0.665 1.00 0.00 H new ATOM 225 N GLN A 17 2.778 11.152 -3.491 1.00 0.00 N ATOM 226 CA GLN A 17 3.687 11.935 -4.319 1.00 0.00 C ATOM 227 C GLN A 17 5.120 11.824 -3.809 1.00 0.00 C ATOM 228 O GLN A 17 5.430 12.259 -2.700 1.00 0.00 O ATOM 229 CB GLN A 17 3.254 13.402 -4.344 1.00 0.00 C ATOM 230 CG GLN A 17 3.157 14.030 -2.963 1.00 0.00 C ATOM 231 CD GLN A 17 2.585 15.434 -2.999 1.00 0.00 C ATOM 232 OE1 GLN A 17 1.794 15.771 -3.880 1.00 0.00 O ATOM 233 NE2 GLN A 17 2.983 16.261 -2.040 1.00 0.00 N ATOM 0 H GLN A 17 2.745 11.439 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 17 3.649 11.536 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.963 13.972 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.285 13.478 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.532 13.404 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.148 14.057 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.640 15.939 -1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.632 17.218 -2.014 1.00 0.00 H new ATOM 242 N ALA A 18 5.990 11.239 -4.626 1.00 0.00 N ATOM 243 CA ALA A 18 7.391 11.072 -4.258 1.00 0.00 C ATOM 244 C ALA A 18 8.203 12.313 -4.614 1.00 0.00 C ATOM 245 O ALA A 18 8.135 12.808 -5.739 1.00 0.00 O ATOM 246 CB ALA A 18 7.973 9.844 -4.940 1.00 0.00 C ATOM 0 H ALA A 18 5.749 10.873 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 18 7.444 10.933 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.019 9.732 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.417 8.959 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.901 9.960 -6.021 1.00 0.00 H new ATOM 252 N GLN A 19 8.971 12.809 -3.649 1.00 0.00 N ATOM 253 CA GLN A 19 9.795 13.993 -3.862 1.00 0.00 C ATOM 254 C GLN A 19 11.206 13.604 -4.289 1.00 0.00 C ATOM 255 O GLN A 19 11.877 14.350 -5.002 1.00 0.00 O ATOM 256 CB GLN A 19 9.849 14.838 -2.588 1.00 0.00 C ATOM 257 CG GLN A 19 10.511 14.131 -1.417 1.00 0.00 C ATOM 258 CD GLN A 19 10.232 14.812 -0.091 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.233 14.525 0.569 1.00 0.00 O ATOM 260 NE2 GLN A 19 11.117 15.719 0.306 1.00 0.00 N ATOM 0 H GLN A 19 9.040 12.410 -2.713 1.00 0.00 H new ATOM 0 HA GLN A 19 9.343 14.581 -4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.390 15.761 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.835 15.119 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.158 13.101 -1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.588 14.093 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.931 15.925 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.983 16.209 1.190 1.00 0.00 H new ATOM 269 N SER A 20 11.651 12.431 -3.848 1.00 0.00 N ATOM 270 CA SER A 20 12.984 11.945 -4.181 1.00 0.00 C ATOM 271 C SER A 20 12.918 10.882 -5.274 1.00 0.00 C ATOM 272 O SER A 20 11.881 10.262 -5.509 1.00 0.00 O ATOM 273 CB SER A 20 13.666 11.372 -2.937 1.00 0.00 C ATOM 274 OG SER A 20 14.331 12.388 -2.206 1.00 0.00 O ATOM 0 H SER A 20 11.107 11.800 -3.259 1.00 0.00 H new ATOM 0 HA SER A 20 13.569 12.787 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.924 10.889 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.381 10.604 -3.232 1.00 0.00 H new ATOM 0 HG SER A 20 14.757 11.996 -1.415 1.00 0.00 H new ATOM 280 N PRO A 21 14.051 10.667 -5.958 1.00 0.00 N ATOM 281 CA PRO A 21 14.149 9.680 -7.038 1.00 0.00 C ATOM 282 C PRO A 21 14.073 8.247 -6.521 1.00 0.00 C ATOM 283 O PRO A 21 13.804 7.316 -7.280 1.00 0.00 O ATOM 284 CB PRO A 21 15.525 9.956 -7.648 1.00 0.00 C ATOM 285 CG PRO A 21 16.310 10.579 -6.545 1.00 0.00 C ATOM 286 CD PRO A 21 15.324 11.371 -5.731 1.00 0.00 C ATOM 0 HA PRO A 21 13.327 9.770 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.995 9.037 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.451 10.623 -8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.798 9.818 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.096 11.223 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.593 11.384 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.273 12.409 -6.060 1.00 0.00 H new ATOM 294 N LYS A 22 14.311 8.077 -5.225 1.00 0.00 N ATOM 295 CA LYS A 22 14.268 6.758 -4.605 1.00 0.00 C ATOM 296 C LYS A 22 12.829 6.329 -4.338 1.00 0.00 C ATOM 297 O LYS A 22 12.502 5.145 -4.412 1.00 0.00 O ATOM 298 CB LYS A 22 15.063 6.760 -3.297 1.00 0.00 C ATOM 299 CG LYS A 22 16.527 6.396 -3.474 1.00 0.00 C ATOM 300 CD LYS A 22 16.748 4.899 -3.344 1.00 0.00 C ATOM 301 CE LYS A 22 17.016 4.498 -1.902 1.00 0.00 C ATOM 302 NZ LYS A 22 16.811 3.039 -1.684 1.00 0.00 N ATOM 0 H LYS A 22 14.536 8.837 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 22 14.719 6.045 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.996 7.748 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.604 6.057 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.871 6.732 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.126 6.919 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.871 4.367 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.589 4.599 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.039 4.765 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.357 5.060 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.004 2.806 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.828 2.788 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.458 2.502 -2.297 1.00 0.00 H new ATOM 316 N GLU A 23 11.975 7.299 -4.029 1.00 0.00 N ATOM 317 CA GLU A 23 10.571 7.020 -3.752 1.00 0.00 C ATOM 318 C GLU A 23 9.808 6.734 -5.042 1.00 0.00 C ATOM 319 O GLU A 23 10.267 7.068 -6.135 1.00 0.00 O ATOM 320 CB GLU A 23 9.929 8.198 -3.016 1.00 0.00 C ATOM 321 CG GLU A 23 10.077 8.127 -1.506 1.00 0.00 C ATOM 322 CD GLU A 23 9.518 9.350 -0.806 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.610 9.994 -1.373 1.00 0.00 O ATOM 324 OE2 GLU A 23 9.988 9.665 0.307 1.00 0.00 O ATOM 0 H GLU A 23 12.230 8.284 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 23 10.521 6.135 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.376 9.126 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.869 8.238 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.568 7.237 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.132 8.019 -1.253 1.00 0.00 H new ATOM 331 N LEU A 24 8.641 6.115 -4.907 1.00 0.00 N ATOM 332 CA LEU A 24 7.812 5.783 -6.061 1.00 0.00 C ATOM 333 C LEU A 24 6.525 6.601 -6.061 1.00 0.00 C ATOM 334 O LEU A 24 5.948 6.872 -5.007 1.00 0.00 O ATOM 335 CB LEU A 24 7.481 4.290 -6.064 1.00 0.00 C ATOM 336 CG LEU A 24 8.466 3.385 -6.806 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.274 1.934 -6.394 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.302 3.540 -8.311 1.00 0.00 C ATOM 0 H LEU A 24 8.247 5.832 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 24 8.375 6.026 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.415 3.951 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.494 4.158 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 24 9.479 3.686 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.984 1.306 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.443 1.835 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.258 1.620 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.011 2.889 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.286 3.267 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.492 4.576 -8.593 1.00 0.00 H new ATOM 350 N THR A 25 6.077 6.990 -7.250 1.00 0.00 N ATOM 351 CA THR A 25 4.857 7.776 -7.387 1.00 0.00 C ATOM 352 C THR A 25 3.650 6.879 -7.639 1.00 0.00 C ATOM 353 O THR A 25 3.588 6.172 -8.645 1.00 0.00 O ATOM 354 CB THR A 25 4.972 8.796 -8.536 1.00 0.00 C ATOM 355 OG1 THR A 25 6.150 9.592 -8.368 1.00 0.00 O ATOM 356 CG2 THR A 25 3.747 9.698 -8.584 1.00 0.00 C ATOM 0 H THR A 25 6.541 6.774 -8.132 1.00 0.00 H new ATOM 0 HA THR A 25 4.719 8.311 -6.448 1.00 0.00 H new ATOM 0 HB THR A 25 5.036 8.246 -9.475 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.217 10.237 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.851 10.410 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.855 9.092 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.657 10.239 -7.642 1.00 0.00 H new ATOM 364 N LEU A 26 2.693 6.912 -6.718 1.00 0.00 N ATOM 365 CA LEU A 26 1.486 6.102 -6.841 1.00 0.00 C ATOM 366 C LEU A 26 0.235 6.961 -6.687 1.00 0.00 C ATOM 367 O LEU A 26 0.300 8.083 -6.185 1.00 0.00 O ATOM 368 CB LEU A 26 1.486 4.989 -5.790 1.00 0.00 C ATOM 369 CG LEU A 26 2.755 4.139 -5.714 1.00 0.00 C ATOM 370 CD1 LEU A 26 2.781 3.335 -4.423 1.00 0.00 C ATOM 371 CD2 LEU A 26 2.853 3.218 -6.921 1.00 0.00 C ATOM 0 H LEU A 26 2.729 7.490 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 26 1.478 5.656 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.315 5.440 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.642 4.329 -5.989 1.00 0.00 H new ATOM 0 HG LEU A 26 3.618 4.805 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.691 2.736 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.759 4.014 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.912 2.678 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.762 2.621 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.986 2.558 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.881 3.815 -7.833 1.00 0.00 H new ATOM 383 N GLN A 27 -0.901 6.426 -7.121 1.00 0.00 N ATOM 384 CA GLN A 27 -2.167 7.144 -7.031 1.00 0.00 C ATOM 385 C GLN A 27 -3.243 6.273 -6.390 1.00 0.00 C ATOM 386 O GLN A 27 -3.041 5.078 -6.173 1.00 0.00 O ATOM 387 CB GLN A 27 -2.622 7.597 -8.419 1.00 0.00 C ATOM 388 CG GLN A 27 -1.789 8.733 -8.991 1.00 0.00 C ATOM 389 CD GLN A 27 -1.794 8.754 -10.507 1.00 0.00 C ATOM 390 OE1 GLN A 27 -2.432 7.919 -11.149 1.00 0.00 O ATOM 391 NE2 GLN A 27 -1.080 9.711 -11.088 1.00 0.00 N ATOM 0 H GLN A 27 -0.971 5.498 -7.538 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.013 8.021 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.580 6.748 -9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.664 7.912 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.171 9.683 -8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.763 8.640 -8.636 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.566 10.382 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.045 9.775 -12.105 1.00 0.00 H new ATOM 400 N LYS A 28 -4.386 6.879 -6.088 1.00 0.00 N ATOM 401 CA LYS A 28 -5.495 6.159 -5.473 1.00 0.00 C ATOM 402 C LYS A 28 -5.940 4.993 -6.350 1.00 0.00 C ATOM 403 O LYS A 28 -6.595 5.187 -7.373 1.00 0.00 O ATOM 404 CB LYS A 28 -6.672 7.106 -5.230 1.00 0.00 C ATOM 405 CG LYS A 28 -7.929 6.403 -4.747 1.00 0.00 C ATOM 406 CD LYS A 28 -7.944 6.264 -3.234 1.00 0.00 C ATOM 407 CE LYS A 28 -9.293 5.771 -2.733 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.619 4.417 -3.260 1.00 0.00 N ATOM 0 H LYS A 28 -4.569 7.868 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.152 5.762 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.379 7.855 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.896 7.638 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.807 6.962 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.993 5.416 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.163 5.569 -2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.714 7.226 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.288 5.745 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.071 6.474 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.486 4.067 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.765 4.471 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.834 3.767 -3.056 1.00 0.00 H new ATOM 422 N GLY A 29 -5.581 3.780 -5.940 1.00 0.00 N ATOM 423 CA GLY A 29 -5.953 2.600 -6.699 1.00 0.00 C ATOM 424 C GLY A 29 -4.796 2.036 -7.499 1.00 0.00 C ATOM 425 O GLY A 29 -4.942 1.730 -8.683 1.00 0.00 O ATOM 0 H GLY A 29 -5.039 3.594 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.326 1.836 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.771 2.850 -7.375 1.00 0.00 H new ATOM 429 N ASP A 30 -3.643 1.900 -6.853 1.00 0.00 N ATOM 430 CA ASP A 30 -2.455 1.370 -7.513 1.00 0.00 C ATOM 431 C ASP A 30 -1.942 0.128 -6.790 1.00 0.00 C ATOM 432 O ASP A 30 -1.775 0.133 -5.571 1.00 0.00 O ATOM 433 CB ASP A 30 -1.358 2.434 -7.567 1.00 0.00 C ATOM 434 CG ASP A 30 -1.456 3.304 -8.805 1.00 0.00 C ATOM 435 OD1 ASP A 30 -2.274 4.248 -8.803 1.00 0.00 O ATOM 436 OD2 ASP A 30 -0.716 3.041 -9.776 1.00 0.00 O ATOM 0 H ASP A 30 -3.506 2.149 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.728 1.090 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.421 3.063 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.383 1.948 -7.544 1.00 0.00 H new ATOM 441 N ILE A 31 -1.694 -0.932 -7.551 1.00 0.00 N ATOM 442 CA ILE A 31 -1.199 -2.180 -6.984 1.00 0.00 C ATOM 443 C ILE A 31 0.322 -2.253 -7.058 1.00 0.00 C ATOM 444 O ILE A 31 0.909 -2.115 -8.131 1.00 0.00 O ATOM 445 CB ILE A 31 -1.797 -3.403 -7.705 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.324 -3.382 -7.611 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.242 -4.690 -7.114 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.841 -3.281 -6.193 1.00 0.00 C ATOM 0 H ILE A 31 -1.828 -0.952 -8.562 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.510 -2.197 -5.940 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.516 -3.359 -8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.704 -2.539 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.721 -4.288 -8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.674 -5.545 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.158 -4.705 -7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.496 -4.743 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.931 -3.271 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.491 -4.137 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.474 -2.362 -5.737 1.00 0.00 H new ATOM 460 N VAL A 32 0.955 -2.474 -5.910 1.00 0.00 N ATOM 461 CA VAL A 32 2.409 -2.569 -5.845 1.00 0.00 C ATOM 462 C VAL A 32 2.848 -3.933 -5.326 1.00 0.00 C ATOM 463 O VAL A 32 2.030 -4.719 -4.846 1.00 0.00 O ATOM 464 CB VAL A 32 3.003 -1.472 -4.942 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.625 -0.092 -5.457 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.541 -1.658 -3.504 1.00 0.00 C ATOM 0 H VAL A 32 0.484 -2.591 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 32 2.781 -2.434 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 32 4.089 -1.556 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.054 0.669 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.010 0.037 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.540 0.008 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.970 -0.874 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.453 -1.601 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.868 -2.632 -3.140 1.00 0.00 H new ATOM 476 N TYR A 33 4.143 -4.208 -5.424 1.00 0.00 N ATOM 477 CA TYR A 33 4.692 -5.479 -4.965 1.00 0.00 C ATOM 478 C TYR A 33 5.824 -5.256 -3.968 1.00 0.00 C ATOM 479 O TYR A 33 6.841 -4.643 -4.294 1.00 0.00 O ATOM 480 CB TYR A 33 5.197 -6.299 -6.154 1.00 0.00 C ATOM 481 CG TYR A 33 4.227 -6.349 -7.312 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.244 -7.329 -7.378 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.293 -5.417 -8.340 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.355 -7.379 -8.435 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.408 -5.458 -9.400 1.00 0.00 C ATOM 486 CZ TYR A 33 2.441 -6.441 -9.443 1.00 0.00 C ATOM 487 OH TYR A 33 1.558 -6.487 -10.497 1.00 0.00 O ATOM 0 H TYR A 33 4.833 -3.568 -5.817 1.00 0.00 H new ATOM 0 HA TYR A 33 3.896 -6.030 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.141 -5.878 -6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.405 -7.316 -5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.174 -8.064 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.049 -4.647 -8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.597 -8.148 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.473 -4.725 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 33 1.753 -5.756 -11.120 1.00 0.00 H new ATOM 497 N ILE A 34 5.641 -5.759 -2.752 1.00 0.00 N ATOM 498 CA ILE A 34 6.647 -5.616 -1.707 1.00 0.00 C ATOM 499 C ILE A 34 7.570 -6.830 -1.664 1.00 0.00 C ATOM 500 O ILE A 34 7.139 -7.940 -1.353 1.00 0.00 O ATOM 501 CB ILE A 34 5.999 -5.429 -0.323 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.096 -4.193 -0.322 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.069 -5.310 0.752 1.00 0.00 C ATOM 504 CD1 ILE A 34 4.073 -4.194 0.792 1.00 0.00 C ATOM 0 H ILE A 34 4.805 -6.269 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 34 7.229 -4.727 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 34 5.387 -6.304 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.715 -3.300 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.579 -4.130 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.595 -5.178 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.675 -6.216 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.705 -4.451 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.468 -3.289 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.429 -5.068 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.583 -4.226 1.755 1.00 0.00 H new ATOM 516 N HIS A 35 8.843 -6.609 -1.975 1.00 0.00 N ATOM 517 CA HIS A 35 9.829 -7.685 -1.969 1.00 0.00 C ATOM 518 C HIS A 35 10.573 -7.732 -0.639 1.00 0.00 C ATOM 519 O HIS A 35 10.725 -8.795 -0.037 1.00 0.00 O ATOM 520 CB HIS A 35 10.822 -7.500 -3.117 1.00 0.00 C ATOM 521 CG HIS A 35 11.471 -8.776 -3.558 1.00 0.00 C ATOM 522 ND1 HIS A 35 11.166 -9.404 -4.747 1.00 0.00 N ATOM 523 CD2 HIS A 35 12.415 -9.542 -2.962 1.00 0.00 C ATOM 524 CE1 HIS A 35 11.893 -10.501 -4.863 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.660 -10.607 -3.793 1.00 0.00 N ATOM 0 H HIS A 35 9.216 -5.696 -2.234 1.00 0.00 H new ATOM 0 HA HIS A 35 9.302 -8.630 -2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.305 -7.053 -3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.595 -6.796 -2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.887 -9.351 -2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.865 -11.193 -5.692 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.326 -11.358 -3.613 1.00 0.00 H new ATOM 533 N LYS A 36 11.037 -6.572 -0.184 1.00 0.00 N ATOM 534 CA LYS A 36 11.766 -6.480 1.075 1.00 0.00 C ATOM 535 C LYS A 36 11.285 -5.287 1.896 1.00 0.00 C ATOM 536 O LYS A 36 10.756 -4.320 1.349 1.00 0.00 O ATOM 537 CB LYS A 36 13.268 -6.359 0.811 1.00 0.00 C ATOM 538 CG LYS A 36 13.660 -5.071 0.108 1.00 0.00 C ATOM 539 CD LYS A 36 15.170 -4.904 0.052 1.00 0.00 C ATOM 540 CE LYS A 36 15.723 -4.385 1.370 1.00 0.00 C ATOM 541 NZ LYS A 36 17.187 -4.629 1.492 1.00 0.00 N ATOM 0 H LYS A 36 10.921 -5.682 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 36 11.576 -7.390 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.801 -6.422 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.592 -7.206 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.255 -5.070 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.218 -4.222 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.634 -5.861 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.431 -4.214 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.525 -3.316 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.204 -4.869 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.526 -4.261 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.374 -5.651 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.685 -4.146 0.717 1.00 0.00 H new ATOM 555 N GLU A 37 11.474 -5.363 3.209 1.00 0.00 N ATOM 556 CA GLU A 37 11.060 -4.288 4.104 1.00 0.00 C ATOM 557 C GLU A 37 12.244 -3.398 4.468 1.00 0.00 C ATOM 558 O GLU A 37 13.256 -3.872 4.985 1.00 0.00 O ATOM 559 CB GLU A 37 10.431 -4.865 5.374 1.00 0.00 C ATOM 560 CG GLU A 37 9.228 -5.753 5.108 1.00 0.00 C ATOM 561 CD GLU A 37 9.598 -7.041 4.397 1.00 0.00 C ATOM 562 OE1 GLU A 37 10.502 -7.750 4.887 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.984 -7.339 3.351 1.00 0.00 O ATOM 0 H GLU A 37 11.911 -6.157 3.677 1.00 0.00 H new ATOM 0 HA GLU A 37 10.318 -3.682 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.184 -5.440 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.129 -4.044 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.741 -5.992 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.503 -5.205 4.506 1.00 0.00 H new ATOM 570 N VAL A 38 12.110 -2.104 4.195 1.00 0.00 N ATOM 571 CA VAL A 38 13.168 -1.146 4.494 1.00 0.00 C ATOM 572 C VAL A 38 13.225 -0.838 5.986 1.00 0.00 C ATOM 573 O VAL A 38 14.192 -1.183 6.665 1.00 0.00 O ATOM 574 CB VAL A 38 12.969 0.170 3.718 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.064 1.166 4.067 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.936 -0.096 2.220 1.00 0.00 C ATOM 0 H VAL A 38 11.279 -1.695 3.767 1.00 0.00 H new ATOM 0 HA VAL A 38 14.107 -1.605 4.184 1.00 0.00 H new ATOM 0 HB VAL A 38 12.012 0.603 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.907 2.089 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.036 1.378 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.035 0.745 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.795 0.844 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.877 -0.551 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.113 -0.772 1.989 1.00 0.00 H new ATOM 586 N ASP A 39 12.182 -0.189 6.491 1.00 0.00 N ATOM 587 CA ASP A 39 12.112 0.164 7.904 1.00 0.00 C ATOM 588 C ASP A 39 10.820 -0.353 8.530 1.00 0.00 C ATOM 589 O ASP A 39 9.951 -0.885 7.838 1.00 0.00 O ATOM 590 CB ASP A 39 12.206 1.680 8.079 1.00 0.00 C ATOM 591 CG ASP A 39 12.678 2.076 9.464 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.878 1.890 9.757 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.849 2.570 10.256 1.00 0.00 O ATOM 0 H ASP A 39 11.373 0.103 5.943 1.00 0.00 H new ATOM 0 HA ASP A 39 12.955 -0.305 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.891 2.087 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.229 2.126 7.890 1.00 0.00 H new ATOM 598 N LYS A 40 10.701 -0.195 9.844 1.00 0.00 N ATOM 599 CA LYS A 40 9.516 -0.646 10.565 1.00 0.00 C ATOM 600 C LYS A 40 8.244 -0.154 9.881 1.00 0.00 C ATOM 601 O LYS A 40 7.246 -0.871 9.817 1.00 0.00 O ATOM 602 CB LYS A 40 9.554 -0.149 12.012 1.00 0.00 C ATOM 603 CG LYS A 40 10.281 -1.089 12.958 1.00 0.00 C ATOM 604 CD LYS A 40 11.786 -0.889 12.896 1.00 0.00 C ATOM 605 CE LYS A 40 12.490 -1.592 14.047 1.00 0.00 C ATOM 606 NZ LYS A 40 12.625 -0.708 15.237 1.00 0.00 N ATOM 0 H LYS A 40 11.411 0.242 10.432 1.00 0.00 H new ATOM 0 HA LYS A 40 9.512 -1.736 10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.038 0.827 12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.533 -0.008 12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.933 -0.922 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.039 -2.121 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.166 -1.271 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.014 0.176 12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.932 -2.487 14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.478 -1.919 13.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.110 -1.224 15.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.179 0.135 14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.681 -0.417 15.562 1.00 0.00 H new ATOM 620 N ASN A 41 8.287 1.073 9.371 1.00 0.00 N ATOM 621 CA ASN A 41 7.138 1.659 8.692 1.00 0.00 C ATOM 622 C ASN A 41 7.383 1.749 7.189 1.00 0.00 C ATOM 623 O ASN A 41 6.453 1.633 6.390 1.00 0.00 O ATOM 624 CB ASN A 41 6.841 3.050 9.255 1.00 0.00 C ATOM 625 CG ASN A 41 5.874 3.007 10.422 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.757 2.502 10.299 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.298 3.538 11.563 1.00 0.00 N ATOM 0 H ASN A 41 9.105 1.680 9.415 1.00 0.00 H new ATOM 0 HA ASN A 41 6.277 1.013 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.773 3.516 9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.426 3.677 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.690 3.538 12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.231 3.946 11.620 1.00 0.00 H new ATOM 634 N TRP A 42 8.639 1.955 6.811 1.00 0.00 N ATOM 635 CA TRP A 42 9.006 2.059 5.403 1.00 0.00 C ATOM 636 C TRP A 42 9.175 0.678 4.780 1.00 0.00 C ATOM 637 O TRP A 42 9.734 -0.229 5.399 1.00 0.00 O ATOM 638 CB TRP A 42 10.298 2.863 5.250 1.00 0.00 C ATOM 639 CG TRP A 42 10.125 4.325 5.531 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.347 4.963 6.718 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.692 5.330 4.608 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.078 6.304 6.588 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.675 6.555 5.303 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.319 5.314 3.261 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.299 7.750 4.695 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.946 6.501 2.660 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.938 7.706 3.376 1.00 0.00 C ATOM 0 H TRP A 42 9.420 2.053 7.459 1.00 0.00 H new ATOM 0 HA TRP A 42 8.201 2.576 4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.052 2.457 5.925 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.677 2.738 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.684 4.484 7.625 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.164 7.000 7.329 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.322 4.391 2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.293 8.679 5.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.655 6.500 1.620 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.641 8.617 2.877 1.00 0.00 H new ATOM 658 N LEU A 43 8.690 0.523 3.554 1.00 0.00 N ATOM 659 CA LEU A 43 8.788 -0.750 2.847 1.00 0.00 C ATOM 660 C LEU A 43 9.440 -0.565 1.480 1.00 0.00 C ATOM 661 O LEU A 43 9.564 0.557 0.989 1.00 0.00 O ATOM 662 CB LEU A 43 7.401 -1.373 2.683 1.00 0.00 C ATOM 663 CG LEU A 43 6.556 -1.472 3.954 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.173 -2.019 3.633 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.249 -2.345 4.989 1.00 0.00 C ATOM 0 H LEU A 43 8.225 1.263 3.028 1.00 0.00 H new ATOM 0 HA LEU A 43 9.412 -1.419 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.847 -0.790 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.521 -2.375 2.271 1.00 0.00 H new ATOM 0 HG LEU A 43 6.442 -0.471 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.585 -2.083 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.674 -1.355 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.268 -3.012 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.633 -2.404 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.394 -3.346 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.217 -1.912 5.241 1.00 0.00 H new ATOM 677 N GLU A 44 9.851 -1.673 0.871 1.00 0.00 N ATOM 678 CA GLU A 44 10.488 -1.631 -0.440 1.00 0.00 C ATOM 679 C GLU A 44 9.702 -2.459 -1.453 1.00 0.00 C ATOM 680 O GLU A 44 8.935 -3.347 -1.083 1.00 0.00 O ATOM 681 CB GLU A 44 11.926 -2.147 -0.349 1.00 0.00 C ATOM 682 CG GLU A 44 12.852 -1.555 -1.399 1.00 0.00 C ATOM 683 CD GLU A 44 14.308 -1.590 -0.978 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.640 -0.981 0.060 1.00 0.00 O ATOM 685 OE2 GLU A 44 15.116 -2.226 -1.687 1.00 0.00 O ATOM 0 H GLU A 44 9.754 -2.609 1.264 1.00 0.00 H new ATOM 0 HA GLU A 44 10.502 -0.594 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.322 -1.922 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.921 -3.232 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.734 -2.104 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.559 -0.524 -1.596 1.00 0.00 H new ATOM 692 N GLY A 45 9.900 -2.161 -2.733 1.00 0.00 N ATOM 693 CA GLY A 45 9.204 -2.885 -3.780 1.00 0.00 C ATOM 694 C GLY A 45 9.326 -2.211 -5.132 1.00 0.00 C ATOM 695 O GLY A 45 9.722 -1.049 -5.219 1.00 0.00 O ATOM 0 H GLY A 45 10.530 -1.431 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.604 -3.897 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.150 -2.975 -3.516 1.00 0.00 H new ATOM 699 N GLU A 46 8.987 -2.942 -6.189 1.00 0.00 N ATOM 700 CA GLU A 46 9.064 -2.407 -7.544 1.00 0.00 C ATOM 701 C GLU A 46 7.690 -2.408 -8.208 1.00 0.00 C ATOM 702 O GLU A 46 6.821 -3.209 -7.861 1.00 0.00 O ATOM 703 CB GLU A 46 10.050 -3.223 -8.383 1.00 0.00 C ATOM 704 CG GLU A 46 9.624 -4.667 -8.589 1.00 0.00 C ATOM 705 CD GLU A 46 10.804 -5.605 -8.751 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.322 -6.091 -7.725 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.208 -5.854 -9.907 1.00 0.00 O ATOM 0 H GLU A 46 8.657 -3.905 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 46 9.417 -1.378 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.168 -2.746 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.026 -3.207 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.022 -4.989 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.989 -4.732 -9.472 1.00 0.00 H new ATOM 798 N GLY A 52 11.600 1.563 -6.263 1.00 0.00 N ATOM 799 CA GLY A 52 11.767 2.622 -5.285 1.00 0.00 C ATOM 800 C GLY A 52 11.222 2.244 -3.922 1.00 0.00 C ATOM 801 O GLY A 52 10.740 1.127 -3.727 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.826 2.865 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.262 3.521 -5.638 1.00 0.00 H new ATOM 805 N ILE A 53 11.301 3.173 -2.976 1.00 0.00 N ATOM 806 CA ILE A 53 10.813 2.930 -1.624 1.00 0.00 C ATOM 807 C ILE A 53 9.524 3.702 -1.358 1.00 0.00 C ATOM 808 O ILE A 53 9.285 4.755 -1.950 1.00 0.00 O ATOM 809 CB ILE A 53 11.861 3.324 -0.567 1.00 0.00 C ATOM 810 CG1 ILE A 53 12.138 4.828 -0.627 1.00 0.00 C ATOM 811 CG2 ILE A 53 13.145 2.534 -0.775 1.00 0.00 C ATOM 812 CD1 ILE A 53 13.102 5.307 0.435 1.00 0.00 C ATOM 0 H ILE A 53 11.698 4.101 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 53 10.616 1.861 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 53 11.467 3.086 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.539 5.076 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.197 5.367 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.876 2.823 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.935 1.468 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.545 2.744 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.252 6.382 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.693 5.090 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.057 4.795 0.317 1.00 0.00 H new ATOM 824 N PHE A 54 8.698 3.172 -0.462 1.00 0.00 N ATOM 825 CA PHE A 54 7.434 3.811 -0.116 1.00 0.00 C ATOM 826 C PHE A 54 6.986 3.407 1.285 1.00 0.00 C ATOM 827 O PHE A 54 7.346 2.347 1.798 1.00 0.00 O ATOM 828 CB PHE A 54 6.355 3.442 -1.136 1.00 0.00 C ATOM 829 CG PHE A 54 6.238 1.963 -1.375 1.00 0.00 C ATOM 830 CD1 PHE A 54 7.071 1.326 -2.280 1.00 0.00 C ATOM 831 CD2 PHE A 54 5.295 1.211 -0.694 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.964 -0.034 -2.502 1.00 0.00 C ATOM 833 CE2 PHE A 54 5.184 -0.150 -0.911 1.00 0.00 C ATOM 834 CZ PHE A 54 6.020 -0.773 -1.816 1.00 0.00 C ATOM 0 H PHE A 54 8.881 2.302 0.037 1.00 0.00 H new ATOM 0 HA PHE A 54 7.585 4.890 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.394 3.824 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.574 3.939 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.812 1.898 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.639 1.694 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.618 -0.519 -3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.444 -0.725 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.936 -1.836 -1.987 1.00 0.00 H new ATOM 844 N PRO A 55 6.180 4.271 1.921 1.00 0.00 N ATOM 845 CA PRO A 55 5.664 4.026 3.271 1.00 0.00 C ATOM 846 C PRO A 55 4.641 2.895 3.305 1.00 0.00 C ATOM 847 O PRO A 55 4.184 2.429 2.262 1.00 0.00 O ATOM 848 CB PRO A 55 5.005 5.355 3.645 1.00 0.00 C ATOM 849 CG PRO A 55 4.645 5.980 2.342 1.00 0.00 C ATOM 850 CD PRO A 55 5.710 5.553 1.370 1.00 0.00 C ATOM 0 HA PRO A 55 6.451 3.717 3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.123 5.198 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.686 5.989 4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.660 5.652 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.607 7.066 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.311 5.435 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.516 6.284 1.310 1.00 0.00 H new ATOM 858 N ALA A 56 4.287 2.460 4.509 1.00 0.00 N ATOM 859 CA ALA A 56 3.316 1.386 4.678 1.00 0.00 C ATOM 860 C ALA A 56 1.915 1.944 4.910 1.00 0.00 C ATOM 861 O ALA A 56 0.953 1.512 4.277 1.00 0.00 O ATOM 862 CB ALA A 56 3.724 0.482 5.832 1.00 0.00 C ATOM 0 H ALA A 56 4.658 2.835 5.382 1.00 0.00 H new ATOM 0 HA ALA A 56 3.297 0.799 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.990 -0.315 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.702 0.048 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.773 1.065 6.752 1.00 0.00 H new ATOM 868 N ASN A 57 1.810 2.905 5.822 1.00 0.00 N ATOM 869 CA ASN A 57 0.526 3.521 6.138 1.00 0.00 C ATOM 870 C ASN A 57 -0.221 3.906 4.864 1.00 0.00 C ATOM 871 O ASN A 57 -1.433 3.718 4.762 1.00 0.00 O ATOM 872 CB ASN A 57 0.732 4.757 7.016 1.00 0.00 C ATOM 873 CG ASN A 57 -0.358 5.793 6.821 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.516 5.453 6.576 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.008 7.065 6.928 1.00 0.00 N ATOM 0 H ASN A 57 2.598 3.274 6.355 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.074 2.793 6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.759 4.455 8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.700 5.204 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.682 7.806 6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.979 7.301 7.132 1.00 0.00 H new ATOM 882 N TYR A 58 0.511 4.446 3.897 1.00 0.00 N ATOM 883 CA TYR A 58 -0.081 4.860 2.630 1.00 0.00 C ATOM 884 C TYR A 58 -0.924 3.739 2.031 1.00 0.00 C ATOM 885 O TYR A 58 -1.918 3.990 1.349 1.00 0.00 O ATOM 886 CB TYR A 58 1.011 5.276 1.644 1.00 0.00 C ATOM 887 CG TYR A 58 1.367 6.744 1.717 1.00 0.00 C ATOM 888 CD1 TYR A 58 2.136 7.241 2.762 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.933 7.633 0.742 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.463 8.581 2.834 1.00 0.00 C ATOM 891 CE2 TYR A 58 1.257 8.975 0.805 1.00 0.00 C ATOM 892 CZ TYR A 58 2.021 9.444 1.852 1.00 0.00 C ATOM 893 OH TYR A 58 2.344 10.780 1.919 1.00 0.00 O ATOM 0 H TYR A 58 1.516 4.608 3.966 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.730 5.714 2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.906 4.684 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.683 5.040 0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.484 6.568 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.333 7.270 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.061 8.951 3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.913 9.653 0.038 1.00 0.00 H new ATOM 0 HH TYR A 58 1.956 11.249 1.151 1.00 0.00 H new ATOM 903 N VAL A 59 -0.519 2.500 2.291 1.00 0.00 N ATOM 904 CA VAL A 59 -1.237 1.338 1.780 1.00 0.00 C ATOM 905 C VAL A 59 -1.760 0.470 2.919 1.00 0.00 C ATOM 906 O VAL A 59 -1.157 0.406 3.990 1.00 0.00 O ATOM 907 CB VAL A 59 -0.340 0.482 0.866 1.00 0.00 C ATOM 908 CG1 VAL A 59 0.231 1.325 -0.264 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.774 -0.169 1.672 1.00 0.00 C ATOM 0 H VAL A 59 0.302 2.275 2.852 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.079 1.716 1.200 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.948 -0.308 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.862 0.703 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.585 1.739 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.825 2.138 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.398 -0.770 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.382 0.604 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.341 -0.808 2.442 1.00 0.00 H new ATOM 919 N GLU A 60 -2.884 -0.197 2.679 1.00 0.00 N ATOM 920 CA GLU A 60 -3.488 -1.062 3.686 1.00 0.00 C ATOM 921 C GLU A 60 -3.827 -2.429 3.097 1.00 0.00 C ATOM 922 O GLU A 60 -4.355 -2.526 1.989 1.00 0.00 O ATOM 923 CB GLU A 60 -4.751 -0.413 4.257 1.00 0.00 C ATOM 924 CG GLU A 60 -5.944 -0.474 3.318 1.00 0.00 C ATOM 925 CD GLU A 60 -7.241 -0.078 3.997 1.00 0.00 C ATOM 926 OE1 GLU A 60 -7.217 0.866 4.815 1.00 0.00 O ATOM 927 OE2 GLU A 60 -8.278 -0.710 3.710 1.00 0.00 O ATOM 0 H GLU A 60 -3.395 -0.155 1.797 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.765 -1.201 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.011 -0.906 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.538 0.630 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.767 0.185 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.039 -1.485 2.923 1.00 0.00 H new ATOM 934 N VAL A 61 -3.519 -3.482 3.846 1.00 0.00 N ATOM 935 CA VAL A 61 -3.792 -4.843 3.400 1.00 0.00 C ATOM 936 C VAL A 61 -5.275 -5.041 3.110 1.00 0.00 C ATOM 937 O VAL A 61 -6.126 -4.774 3.961 1.00 0.00 O ATOM 938 CB VAL A 61 -3.342 -5.878 4.448 1.00 0.00 C ATOM 939 CG1 VAL A 61 -3.678 -7.288 3.985 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.853 -5.741 4.728 1.00 0.00 C ATOM 0 H VAL A 61 -3.080 -3.419 4.765 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.223 -4.995 2.483 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.882 -5.687 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.353 -8.006 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.755 -7.377 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.168 -7.493 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.553 -6.480 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.293 -5.904 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.645 -4.741 5.107 1.00 0.00 H new