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= 0.722 K(o=0.72,f=-1.4!) USER MOD Single : A 19 GLN : amide:sc=-0.00061 X(o=-0.00061,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.109 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= -0.16 K(o=-0.16,f=-1.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 164:sc= -0.0134 (180deg=-0.177) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.772 K(o=-0.77,f=-1.8) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -1.006 -8.315 -2.178 1.00 0.00 N ATOM 89 CA ALA A 9 -1.247 -7.066 -2.889 1.00 0.00 C ATOM 90 C ALA A 9 -1.887 -6.028 -1.975 1.00 0.00 C ATOM 91 O ALA A 9 -2.621 -6.371 -1.048 1.00 0.00 O ATOM 92 CB ALA A 9 -2.125 -7.313 -4.107 1.00 0.00 C ATOM 0 HA ALA A 9 -0.285 -6.675 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.297 -6.371 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.628 -8.014 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.080 -7.731 -3.788 1.00 0.00 H new ATOM 98 N ALA A 10 -1.604 -4.757 -2.241 1.00 0.00 N ATOM 99 CA ALA A 10 -2.154 -3.668 -1.442 1.00 0.00 C ATOM 100 C ALA A 10 -2.407 -2.432 -2.298 1.00 0.00 C ATOM 101 O ALA A 10 -1.588 -2.074 -3.145 1.00 0.00 O ATOM 102 CB ALA A 10 -1.217 -3.333 -0.291 1.00 0.00 C ATOM 0 H ALA A 10 -0.997 -4.456 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.110 -3.996 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.640 -2.519 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.091 -4.211 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.248 -3.029 -0.687 1.00 0.00 H new ATOM 108 N ARG A 11 -3.545 -1.785 -2.074 1.00 0.00 N ATOM 109 CA ARG A 11 -3.907 -0.590 -2.826 1.00 0.00 C ATOM 110 C ARG A 11 -3.450 0.670 -2.098 1.00 0.00 C ATOM 111 O ARG A 11 -3.335 0.684 -0.871 1.00 0.00 O ATOM 112 CB ARG A 11 -5.419 -0.541 -3.053 1.00 0.00 C ATOM 113 CG ARG A 11 -5.866 0.616 -3.930 1.00 0.00 C ATOM 114 CD ARG A 11 -7.374 0.806 -3.875 1.00 0.00 C ATOM 115 NE ARG A 11 -7.811 1.348 -2.591 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.022 1.851 -2.380 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.912 1.882 -3.363 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.345 2.325 -1.184 1.00 0.00 N ATOM 0 H ARG A 11 -4.233 -2.069 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.404 -0.634 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.740 -1.477 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.921 -0.469 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.371 1.532 -3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.558 0.434 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.684 1.477 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.867 -0.150 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.150 1.340 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.667 1.519 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.841 2.269 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.663 2.303 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.275 2.711 -1.023 1.00 0.00 H new ATOM 132 N LEU A 12 -3.190 1.727 -2.860 1.00 0.00 N ATOM 133 CA LEU A 12 -2.745 2.993 -2.288 1.00 0.00 C ATOM 134 C LEU A 12 -3.924 3.782 -1.728 1.00 0.00 C ATOM 135 O LEU A 12 -4.772 4.268 -2.478 1.00 0.00 O ATOM 136 CB LEU A 12 -2.015 3.824 -3.344 1.00 0.00 C ATOM 137 CG LEU A 12 -0.503 3.615 -3.435 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.182 4.106 -2.169 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.181 2.149 -3.683 1.00 0.00 C ATOM 0 H LEU A 12 -3.280 1.732 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.059 2.773 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.452 3.602 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.204 4.878 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.126 4.197 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.257 3.949 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.020 5.169 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.200 3.553 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.899 2.019 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.572 1.547 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.639 1.829 -4.619 1.00 0.00 H new ATOM 151 N LYS A 13 -3.971 3.908 -0.407 1.00 0.00 N ATOM 152 CA LYS A 13 -5.044 4.641 0.254 1.00 0.00 C ATOM 153 C LYS A 13 -5.292 5.980 -0.433 1.00 0.00 C ATOM 154 O LYS A 13 -6.420 6.472 -0.469 1.00 0.00 O ATOM 155 CB LYS A 13 -4.702 4.868 1.729 1.00 0.00 C ATOM 156 CG LYS A 13 -5.010 3.674 2.616 1.00 0.00 C ATOM 157 CD LYS A 13 -6.424 3.741 3.168 1.00 0.00 C ATOM 158 CE LYS A 13 -6.559 4.826 4.226 1.00 0.00 C ATOM 159 NZ LYS A 13 -6.270 4.308 5.592 1.00 0.00 N ATOM 0 H LYS A 13 -3.278 3.512 0.228 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.953 4.044 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.643 5.110 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.257 5.733 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.884 2.754 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.298 3.638 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.124 3.935 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.694 2.776 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.877 5.644 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.569 5.236 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.373 5.078 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.937 3.544 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.298 3.940 5.625 1.00 0.00 H new ATOM 173 N PHE A 14 -4.231 6.566 -0.978 1.00 0.00 N ATOM 174 CA PHE A 14 -4.334 7.848 -1.665 1.00 0.00 C ATOM 175 C PHE A 14 -3.119 8.085 -2.558 1.00 0.00 C ATOM 176 O PHE A 14 -2.173 7.298 -2.559 1.00 0.00 O ATOM 177 CB PHE A 14 -4.464 8.985 -0.650 1.00 0.00 C ATOM 178 CG PHE A 14 -5.726 8.921 0.163 1.00 0.00 C ATOM 179 CD1 PHE A 14 -6.907 9.460 -0.322 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.731 8.320 1.412 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.068 9.403 0.425 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.889 8.260 2.163 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.060 8.801 1.668 1.00 0.00 C ATOM 0 H PHE A 14 -3.290 6.173 -0.957 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.225 7.826 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.606 8.961 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.429 9.938 -1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.920 9.930 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.819 7.894 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.981 9.829 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.879 7.791 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.967 8.753 2.252 1.00 0.00 H new ATOM 193 N ASP A 15 -3.155 9.175 -3.317 1.00 0.00 N ATOM 194 CA ASP A 15 -2.058 9.518 -4.215 1.00 0.00 C ATOM 195 C ASP A 15 -0.813 9.910 -3.426 1.00 0.00 C ATOM 196 O ASP A 15 -0.836 10.859 -2.641 1.00 0.00 O ATOM 197 CB ASP A 15 -2.469 10.660 -5.145 1.00 0.00 C ATOM 198 CG ASP A 15 -3.239 11.747 -4.420 1.00 0.00 C ATOM 199 OD1 ASP A 15 -4.407 11.502 -4.053 1.00 0.00 O ATOM 200 OD2 ASP A 15 -2.674 12.843 -4.221 1.00 0.00 O ATOM 0 H ASP A 15 -3.932 9.836 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.824 8.639 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.578 11.092 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.081 10.263 -5.955 1.00 0.00 H new ATOM 205 N PHE A 16 0.273 9.174 -3.639 1.00 0.00 N ATOM 206 CA PHE A 16 1.528 9.444 -2.946 1.00 0.00 C ATOM 207 C PHE A 16 2.520 10.142 -3.872 1.00 0.00 C ATOM 208 O PHE A 16 3.044 9.536 -4.807 1.00 0.00 O ATOM 209 CB PHE A 16 2.134 8.142 -2.418 1.00 0.00 C ATOM 210 CG PHE A 16 3.414 8.342 -1.659 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.443 9.125 -0.517 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.589 7.745 -2.088 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.620 9.311 0.183 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.770 7.927 -1.392 1.00 0.00 C ATOM 215 CZ PHE A 16 5.785 8.710 -0.254 1.00 0.00 C ATOM 0 H PHE A 16 0.309 8.386 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 16 1.316 10.104 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.409 7.650 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.319 7.470 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.535 9.596 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.582 7.131 -2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.629 9.926 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.679 7.458 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.705 8.852 0.293 1.00 0.00 H new ATOM 225 N GLN A 17 2.773 11.419 -3.603 1.00 0.00 N ATOM 226 CA GLN A 17 3.702 12.199 -4.412 1.00 0.00 C ATOM 227 C GLN A 17 5.115 12.124 -3.844 1.00 0.00 C ATOM 228 O GLN A 17 5.365 12.549 -2.716 1.00 0.00 O ATOM 229 CB GLN A 17 3.246 13.658 -4.485 1.00 0.00 C ATOM 230 CG GLN A 17 2.095 13.888 -5.452 1.00 0.00 C ATOM 231 CD GLN A 17 0.739 13.734 -4.792 1.00 0.00 C ATOM 232 OE1 GLN A 17 0.575 14.028 -3.608 1.00 0.00 O ATOM 233 NE2 GLN A 17 -0.242 13.270 -5.557 1.00 0.00 N ATOM 0 H GLN A 17 2.348 11.935 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 17 3.712 11.777 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.945 13.986 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.090 14.279 -4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.177 14.889 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.174 13.183 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.061 13.039 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.176 13.145 -5.168 1.00 0.00 H new ATOM 242 N ALA A 18 6.036 11.580 -4.632 1.00 0.00 N ATOM 243 CA ALA A 18 7.425 11.450 -4.208 1.00 0.00 C ATOM 244 C ALA A 18 8.254 12.643 -4.672 1.00 0.00 C ATOM 245 O ALA A 18 8.412 12.871 -5.871 1.00 0.00 O ATOM 246 CB ALA A 18 8.020 10.154 -4.737 1.00 0.00 C ATOM 0 H ALA A 18 5.846 11.222 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 18 7.446 11.428 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.057 10.071 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.450 9.308 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.979 10.153 -5.826 1.00 0.00 H new ATOM 252 N GLN A 19 8.780 13.401 -3.715 1.00 0.00 N ATOM 253 CA GLN A 19 9.592 14.571 -4.027 1.00 0.00 C ATOM 254 C GLN A 19 11.007 14.162 -4.423 1.00 0.00 C ATOM 255 O GLN A 19 11.642 14.810 -5.255 1.00 0.00 O ATOM 256 CB GLN A 19 9.639 15.520 -2.829 1.00 0.00 C ATOM 257 CG GLN A 19 10.601 16.683 -3.010 1.00 0.00 C ATOM 258 CD GLN A 19 10.658 17.588 -1.796 1.00 0.00 C ATOM 259 OE1 GLN A 19 10.967 17.143 -0.690 1.00 0.00 O ATOM 260 NE2 GLN A 19 10.361 18.867 -1.995 1.00 0.00 N ATOM 0 H GLN A 19 8.658 13.226 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 19 9.133 15.086 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.638 15.912 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.926 14.957 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.599 16.295 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.300 17.267 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.110 19.193 -2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.384 19.523 -1.214 1.00 0.00 H new ATOM 269 N SER A 20 11.496 13.083 -3.819 1.00 0.00 N ATOM 270 CA SER A 20 12.839 12.590 -4.105 1.00 0.00 C ATOM 271 C SER A 20 12.801 11.500 -5.172 1.00 0.00 C ATOM 272 O SER A 20 11.793 10.820 -5.366 1.00 0.00 O ATOM 273 CB SER A 20 13.489 12.049 -2.830 1.00 0.00 C ATOM 274 OG SER A 20 13.211 10.670 -2.662 1.00 0.00 O ATOM 0 H SER A 20 10.983 12.534 -3.129 1.00 0.00 H new ATOM 0 HA SER A 20 13.433 13.423 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.567 12.203 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.122 12.605 -1.967 1.00 0.00 H new ATOM 0 HG SER A 20 13.638 10.348 -1.841 1.00 0.00 H new ATOM 280 N PRO A 21 13.926 11.329 -5.882 1.00 0.00 N ATOM 281 CA PRO A 21 14.049 10.323 -6.942 1.00 0.00 C ATOM 282 C PRO A 21 14.064 8.901 -6.392 1.00 0.00 C ATOM 283 O PRO A 21 13.520 7.982 -7.004 1.00 0.00 O ATOM 284 CB PRO A 21 15.392 10.658 -7.595 1.00 0.00 C ATOM 285 CG PRO A 21 16.171 11.347 -6.528 1.00 0.00 C ATOM 286 CD PRO A 21 15.166 12.105 -5.705 1.00 0.00 C ATOM 0 HA PRO A 21 13.205 10.352 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.901 9.757 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.260 11.300 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.714 10.628 -5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.911 12.022 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.462 12.157 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.052 13.131 -6.055 1.00 0.00 H new ATOM 294 N LYS A 22 14.689 8.727 -5.232 1.00 0.00 N ATOM 295 CA LYS A 22 14.773 7.417 -4.598 1.00 0.00 C ATOM 296 C LYS A 22 13.387 6.905 -4.219 1.00 0.00 C ATOM 297 O LYS A 22 13.122 5.705 -4.275 1.00 0.00 O ATOM 298 CB LYS A 22 15.660 7.486 -3.352 1.00 0.00 C ATOM 299 CG LYS A 22 16.407 6.195 -3.064 1.00 0.00 C ATOM 300 CD LYS A 22 15.451 5.062 -2.731 1.00 0.00 C ATOM 301 CE LYS A 22 16.163 3.927 -2.010 1.00 0.00 C ATOM 302 NZ LYS A 22 17.131 3.226 -2.899 1.00 0.00 N ATOM 0 H LYS A 22 15.145 9.477 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 22 15.214 6.723 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.382 8.294 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.042 7.738 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.010 5.921 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.095 6.349 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.641 5.439 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.998 4.685 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.689 4.322 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.427 3.213 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.595 2.460 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.626 2.827 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.849 3.901 -3.232 1.00 0.00 H new ATOM 316 N GLU A 23 12.506 7.824 -3.835 1.00 0.00 N ATOM 317 CA GLU A 23 11.147 7.464 -3.448 1.00 0.00 C ATOM 318 C GLU A 23 10.380 6.883 -4.632 1.00 0.00 C ATOM 319 O GLU A 23 10.819 6.981 -5.779 1.00 0.00 O ATOM 320 CB GLU A 23 10.409 8.687 -2.899 1.00 0.00 C ATOM 321 CG GLU A 23 10.618 8.906 -1.410 1.00 0.00 C ATOM 322 CD GLU A 23 9.957 10.175 -0.909 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.119 11.227 -1.561 1.00 0.00 O ATOM 324 OE2 GLU A 23 9.276 10.115 0.137 1.00 0.00 O ATOM 0 H GLU A 23 12.709 8.822 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 23 11.208 6.704 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.742 9.574 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.343 8.576 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.220 8.052 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.687 8.950 -1.199 1.00 0.00 H new ATOM 331 N LEU A 24 9.234 6.276 -4.347 1.00 0.00 N ATOM 332 CA LEU A 24 8.404 5.678 -5.387 1.00 0.00 C ATOM 333 C LEU A 24 7.150 6.511 -5.630 1.00 0.00 C ATOM 334 O LEU A 24 6.475 6.927 -4.688 1.00 0.00 O ATOM 335 CB LEU A 24 8.015 4.250 -4.998 1.00 0.00 C ATOM 336 CG LEU A 24 7.799 3.275 -6.155 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.366 1.914 -5.632 1.00 0.00 C ATOM 338 CD2 LEU A 24 6.769 3.825 -7.131 1.00 0.00 C ATOM 0 H LEU A 24 8.858 6.185 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 24 8.984 5.652 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.793 3.847 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.099 4.292 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 24 8.744 3.155 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.217 1.233 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.137 1.515 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.433 2.017 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.628 3.118 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.821 3.975 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.119 4.777 -7.531 1.00 0.00 H new ATOM 350 N THR A 25 6.842 6.750 -6.901 1.00 0.00 N ATOM 351 CA THR A 25 5.669 7.532 -7.269 1.00 0.00 C ATOM 352 C THR A 25 4.458 6.634 -7.495 1.00 0.00 C ATOM 353 O THR A 25 4.409 5.872 -8.461 1.00 0.00 O ATOM 354 CB THR A 25 5.923 8.362 -8.542 1.00 0.00 C ATOM 355 OG1 THR A 25 7.191 9.021 -8.452 1.00 0.00 O ATOM 356 CG2 THR A 25 4.823 9.393 -8.745 1.00 0.00 C ATOM 0 H THR A 25 7.389 6.413 -7.693 1.00 0.00 H new ATOM 0 HA THR A 25 5.467 8.208 -6.438 1.00 0.00 H new ATOM 0 HB THR A 25 5.926 7.685 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.346 9.545 -9.266 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.024 9.967 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.863 8.886 -8.843 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.792 10.066 -7.888 1.00 0.00 H new ATOM 364 N LEU A 26 3.482 6.729 -6.599 1.00 0.00 N ATOM 365 CA LEU A 26 2.269 5.925 -6.701 1.00 0.00 C ATOM 366 C LEU A 26 1.030 6.813 -6.753 1.00 0.00 C ATOM 367 O LEU A 26 1.091 7.999 -6.430 1.00 0.00 O ATOM 368 CB LEU A 26 2.171 4.962 -5.517 1.00 0.00 C ATOM 369 CG LEU A 26 3.422 4.136 -5.219 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.504 3.807 -3.736 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.430 2.861 -6.050 1.00 0.00 C ATOM 0 H LEU A 26 3.507 7.355 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 26 2.320 5.350 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.919 5.537 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.343 4.277 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 26 4.297 4.728 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.401 3.219 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.545 4.731 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.624 3.235 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.328 2.286 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.548 2.266 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.420 3.117 -7.109 1.00 0.00 H new ATOM 383 N GLN A 27 -0.094 6.230 -7.159 1.00 0.00 N ATOM 384 CA GLN A 27 -1.347 6.969 -7.252 1.00 0.00 C ATOM 385 C GLN A 27 -2.479 6.207 -6.571 1.00 0.00 C ATOM 386 O GLN A 27 -2.336 5.031 -6.233 1.00 0.00 O ATOM 387 CB GLN A 27 -1.702 7.232 -8.716 1.00 0.00 C ATOM 388 CG GLN A 27 -1.861 5.965 -9.541 1.00 0.00 C ATOM 389 CD GLN A 27 -1.540 6.179 -11.007 1.00 0.00 C ATOM 390 OE1 GLN A 27 -0.722 7.030 -11.357 1.00 0.00 O ATOM 391 NE2 GLN A 27 -2.184 5.405 -11.873 1.00 0.00 N ATOM 0 H GLN A 27 -0.162 5.249 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.216 7.923 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.630 7.803 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.925 7.852 -9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.208 5.190 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.884 5.600 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.854 4.713 -11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.009 5.503 -12.873 1.00 0.00 H new ATOM 400 N LYS A 28 -3.606 6.883 -6.372 1.00 0.00 N ATOM 401 CA LYS A 28 -4.764 6.271 -5.732 1.00 0.00 C ATOM 402 C LYS A 28 -5.308 5.123 -6.577 1.00 0.00 C ATOM 403 O LYS A 28 -5.791 5.332 -7.689 1.00 0.00 O ATOM 404 CB LYS A 28 -5.859 7.315 -5.506 1.00 0.00 C ATOM 405 CG LYS A 28 -7.197 6.717 -5.107 1.00 0.00 C ATOM 406 CD LYS A 28 -7.231 6.363 -3.630 1.00 0.00 C ATOM 407 CE LYS A 28 -8.609 5.880 -3.204 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.552 7.012 -2.989 1.00 0.00 N ATOM 0 H LYS A 28 -3.742 7.856 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.447 5.872 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.534 8.008 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.988 7.897 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.994 7.426 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.389 5.823 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.493 5.588 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.951 7.235 -3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.011 5.212 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.522 5.300 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.480 6.641 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.181 7.636 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.655 7.551 -3.873 1.00 0.00 H new ATOM 422 N GLY A 29 -5.227 3.909 -6.040 1.00 0.00 N ATOM 423 CA GLY A 29 -5.717 2.746 -6.757 1.00 0.00 C ATOM 424 C GLY A 29 -4.626 2.052 -7.548 1.00 0.00 C ATOM 425 O GLY A 29 -4.785 1.790 -8.741 1.00 0.00 O ATOM 0 H GLY A 29 -4.831 3.710 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.151 2.042 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.515 3.050 -7.434 1.00 0.00 H new ATOM 429 N ASP A 30 -3.514 1.754 -6.885 1.00 0.00 N ATOM 430 CA ASP A 30 -2.392 1.086 -7.533 1.00 0.00 C ATOM 431 C ASP A 30 -1.897 -0.086 -6.691 1.00 0.00 C ATOM 432 O ASP A 30 -1.701 0.045 -5.483 1.00 0.00 O ATOM 433 CB ASP A 30 -1.251 2.076 -7.773 1.00 0.00 C ATOM 434 CG ASP A 30 -1.357 2.766 -9.119 1.00 0.00 C ATOM 435 OD1 ASP A 30 -2.495 2.993 -9.581 1.00 0.00 O ATOM 436 OD2 ASP A 30 -0.302 3.079 -9.711 1.00 0.00 O ATOM 0 H ASP A 30 -3.366 1.965 -5.898 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.736 0.700 -8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.252 2.826 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.298 1.550 -7.712 1.00 0.00 H new ATOM 441 N ILE A 31 -1.697 -1.229 -7.338 1.00 0.00 N ATOM 442 CA ILE A 31 -1.225 -2.423 -6.648 1.00 0.00 C ATOM 443 C ILE A 31 0.296 -2.524 -6.702 1.00 0.00 C ATOM 444 O ILE A 31 0.921 -2.121 -7.683 1.00 0.00 O ATOM 445 CB ILE A 31 -1.835 -3.701 -7.254 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.362 -3.610 -7.261 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.376 -4.927 -6.477 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.979 -3.701 -5.883 1.00 0.00 C ATOM 0 H ILE A 31 -1.854 -1.353 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.544 -2.335 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.491 -3.797 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.660 -2.668 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.763 -4.410 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.815 -5.822 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.289 -4.998 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.694 -4.840 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.064 -3.629 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.712 -4.654 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.607 -2.885 -5.263 1.00 0.00 H new ATOM 460 N VAL A 32 0.886 -3.067 -5.642 1.00 0.00 N ATOM 461 CA VAL A 32 2.333 -3.225 -5.569 1.00 0.00 C ATOM 462 C VAL A 32 2.712 -4.481 -4.793 1.00 0.00 C ATOM 463 O VAL A 32 1.931 -4.980 -3.981 1.00 0.00 O ATOM 464 CB VAL A 32 2.998 -2.004 -4.905 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.668 -0.733 -5.672 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.565 -1.888 -3.452 1.00 0.00 C ATOM 0 H VAL A 32 0.383 -3.405 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 32 2.693 -3.314 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 32 4.079 -2.143 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.146 0.119 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.033 -0.821 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.588 -0.585 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.044 -1.020 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.482 -1.772 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.858 -2.788 -2.912 1.00 0.00 H new ATOM 476 N TYR A 33 3.913 -4.987 -5.046 1.00 0.00 N ATOM 477 CA TYR A 33 4.395 -6.187 -4.372 1.00 0.00 C ATOM 478 C TYR A 33 5.575 -5.863 -3.461 1.00 0.00 C ATOM 479 O TYR A 33 6.595 -5.339 -3.911 1.00 0.00 O ATOM 480 CB TYR A 33 4.803 -7.245 -5.398 1.00 0.00 C ATOM 481 CG TYR A 33 3.638 -8.032 -5.953 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.753 -7.457 -6.857 1.00 0.00 C ATOM 483 CD2 TYR A 33 3.422 -9.351 -5.574 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.686 -8.173 -7.365 1.00 0.00 C ATOM 485 CE2 TYR A 33 2.359 -10.075 -6.078 1.00 0.00 C ATOM 486 CZ TYR A 33 1.494 -9.481 -6.973 1.00 0.00 C ATOM 487 OH TYR A 33 0.433 -10.198 -7.479 1.00 0.00 O ATOM 0 H TYR A 33 4.571 -4.585 -5.713 1.00 0.00 H new ATOM 0 HA TYR A 33 3.584 -6.580 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.326 -6.758 -6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.509 -7.935 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.902 -6.433 -7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.097 -9.819 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.006 -7.711 -8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.206 -11.100 -5.773 1.00 0.00 H new ATOM 0 HH TYR A 33 0.441 -11.103 -7.103 1.00 0.00 H new ATOM 497 N ILE A 34 5.429 -6.180 -2.179 1.00 0.00 N ATOM 498 CA ILE A 34 6.483 -5.925 -1.205 1.00 0.00 C ATOM 499 C ILE A 34 7.528 -7.035 -1.223 1.00 0.00 C ATOM 500 O ILE A 34 7.246 -8.175 -0.851 1.00 0.00 O ATOM 501 CB ILE A 34 5.913 -5.795 0.220 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.830 -4.714 0.264 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.025 -5.479 1.209 1.00 0.00 C ATOM 504 CD1 ILE A 34 5.381 -3.306 0.224 1.00 0.00 C ATOM 0 H ILE A 34 4.591 -6.614 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 34 6.952 -4.983 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 34 5.462 -6.746 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.153 -4.855 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.240 -4.839 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.606 -5.390 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.764 -6.280 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.503 -4.540 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.558 -2.592 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.035 -3.147 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.947 -3.163 -0.696 1.00 0.00 H new ATOM 516 N HIS A 35 8.738 -6.694 -1.656 1.00 0.00 N ATOM 517 CA HIS A 35 9.828 -7.662 -1.720 1.00 0.00 C ATOM 518 C HIS A 35 10.593 -7.706 -0.401 1.00 0.00 C ATOM 519 O HIS A 35 10.796 -8.774 0.176 1.00 0.00 O ATOM 520 CB HIS A 35 10.780 -7.313 -2.864 1.00 0.00 C ATOM 521 CG HIS A 35 11.558 -8.487 -3.374 1.00 0.00 C ATOM 522 ND1 HIS A 35 12.786 -8.854 -2.867 1.00 0.00 N ATOM 523 CD2 HIS A 35 11.274 -9.380 -4.351 1.00 0.00 C ATOM 524 CE1 HIS A 35 13.225 -9.921 -3.511 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.326 -10.260 -4.417 1.00 0.00 N ATOM 0 H HIS A 35 8.988 -5.756 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 35 9.398 -8.647 -1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.206 -6.883 -3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.476 -6.545 -2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.385 -9.397 -4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.160 -10.429 -3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.401 -11.047 -5.061 1.00 0.00 H new ATOM 533 N LYS A 36 11.016 -6.538 0.072 1.00 0.00 N ATOM 534 CA LYS A 36 11.759 -6.442 1.323 1.00 0.00 C ATOM 535 C LYS A 36 11.252 -5.279 2.169 1.00 0.00 C ATOM 536 O LYS A 36 10.453 -4.466 1.706 1.00 0.00 O ATOM 537 CB LYS A 36 13.253 -6.268 1.040 1.00 0.00 C ATOM 538 CG LYS A 36 13.595 -4.950 0.367 1.00 0.00 C ATOM 539 CD LYS A 36 13.890 -3.863 1.387 1.00 0.00 C ATOM 540 CE LYS A 36 15.339 -3.907 1.846 1.00 0.00 C ATOM 541 NZ LYS A 36 16.271 -3.432 0.787 1.00 0.00 N ATOM 0 H LYS A 36 10.857 -5.644 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 36 11.606 -7.367 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.803 -6.341 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.592 -7.088 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.460 -5.086 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.766 -4.639 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.675 -2.887 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.231 -3.981 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.457 -3.290 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.600 -4.927 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.197 -3.219 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.382 -4.172 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.886 -2.573 0.346 1.00 0.00 H new ATOM 555 N GLU A 37 11.722 -5.207 3.410 1.00 0.00 N ATOM 556 CA GLU A 37 11.315 -4.142 4.320 1.00 0.00 C ATOM 557 C GLU A 37 12.449 -3.143 4.529 1.00 0.00 C ATOM 558 O GLU A 37 13.495 -3.481 5.084 1.00 0.00 O ATOM 559 CB GLU A 37 10.882 -4.728 5.665 1.00 0.00 C ATOM 560 CG GLU A 37 9.437 -5.197 5.687 1.00 0.00 C ATOM 561 CD GLU A 37 9.184 -6.258 6.741 1.00 0.00 C ATOM 562 OE1 GLU A 37 9.436 -7.447 6.458 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.734 -5.897 7.849 1.00 0.00 O ATOM 0 H GLU A 37 12.384 -5.873 3.808 1.00 0.00 H new ATOM 0 HA GLU A 37 10.471 -3.618 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.532 -5.568 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.023 -3.976 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.785 -4.344 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.173 -5.594 4.707 1.00 0.00 H new ATOM 570 N VAL A 38 12.234 -1.910 4.081 1.00 0.00 N ATOM 571 CA VAL A 38 13.237 -0.860 4.219 1.00 0.00 C ATOM 572 C VAL A 38 13.410 -0.454 5.679 1.00 0.00 C ATOM 573 O VAL A 38 14.458 -0.689 6.279 1.00 0.00 O ATOM 574 CB VAL A 38 12.865 0.384 3.392 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.909 1.476 3.569 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.707 0.019 1.924 1.00 0.00 C ATOM 0 H VAL A 38 11.374 -1.614 3.619 1.00 0.00 H new ATOM 0 HA VAL A 38 14.176 -1.268 3.845 1.00 0.00 H new ATOM 0 HB VAL A 38 11.910 0.766 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.628 2.347 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.968 1.756 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.880 1.109 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.444 0.910 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.645 -0.389 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.919 -0.726 1.817 1.00 0.00 H new ATOM 586 N ASP A 39 12.373 0.156 6.243 1.00 0.00 N ATOM 587 CA ASP A 39 12.409 0.594 7.634 1.00 0.00 C ATOM 588 C ASP A 39 11.231 0.021 8.415 1.00 0.00 C ATOM 589 O ASP A 39 10.384 -0.679 7.858 1.00 0.00 O ATOM 590 CB ASP A 39 12.392 2.121 7.710 1.00 0.00 C ATOM 591 CG ASP A 39 13.122 2.648 8.930 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.884 1.874 9.545 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.931 3.835 9.270 1.00 0.00 O ATOM 0 H ASP A 39 11.498 0.358 5.759 1.00 0.00 H new ATOM 0 HA ASP A 39 13.332 0.225 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.850 2.532 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.359 2.469 7.729 1.00 0.00 H new ATOM 598 N LYS A 40 11.183 0.320 9.708 1.00 0.00 N ATOM 599 CA LYS A 40 10.109 -0.165 10.567 1.00 0.00 C ATOM 600 C LYS A 40 8.744 0.183 9.981 1.00 0.00 C ATOM 601 O LYS A 40 7.801 -0.602 10.072 1.00 0.00 O ATOM 602 CB LYS A 40 10.241 0.432 11.970 1.00 0.00 C ATOM 603 CG LYS A 40 11.213 -0.319 12.862 1.00 0.00 C ATOM 604 CD LYS A 40 12.635 0.191 12.691 1.00 0.00 C ATOM 605 CE LYS A 40 13.628 -0.654 13.475 1.00 0.00 C ATOM 606 NZ LYS A 40 14.975 -0.021 13.527 1.00 0.00 N ATOM 0 H LYS A 40 11.876 0.897 10.185 1.00 0.00 H new ATOM 0 HA LYS A 40 10.191 -1.250 10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.566 1.469 11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.260 0.443 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.910 -0.212 13.903 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.176 -1.383 12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.902 0.181 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.694 1.227 13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.257 -0.803 14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.707 -1.640 13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.623 -0.627 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.340 0.098 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.904 0.909 13.987 1.00 0.00 H new ATOM 620 N ASN A 41 8.648 1.363 9.379 1.00 0.00 N ATOM 621 CA ASN A 41 7.398 1.814 8.777 1.00 0.00 C ATOM 622 C ASN A 41 7.525 1.899 7.259 1.00 0.00 C ATOM 623 O ASN A 41 6.537 1.774 6.535 1.00 0.00 O ATOM 624 CB ASN A 41 6.998 3.178 9.343 1.00 0.00 C ATOM 625 CG ASN A 41 6.125 3.057 10.578 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.990 3.532 10.598 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.654 2.420 11.616 1.00 0.00 N ATOM 0 H ASN A 41 9.420 2.024 9.295 1.00 0.00 H new ATOM 0 HA ASN A 41 6.624 1.086 9.019 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.896 3.744 9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.465 3.744 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.115 2.309 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.599 2.042 11.555 1.00 0.00 H new ATOM 634 N TRP A 42 8.747 2.113 6.784 1.00 0.00 N ATOM 635 CA TRP A 42 9.004 2.214 5.352 1.00 0.00 C ATOM 636 C TRP A 42 9.198 0.833 4.735 1.00 0.00 C ATOM 637 O TRP A 42 9.841 -0.036 5.324 1.00 0.00 O ATOM 638 CB TRP A 42 10.238 3.079 5.094 1.00 0.00 C ATOM 639 CG TRP A 42 10.051 4.513 5.488 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.380 5.084 6.684 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.490 5.557 4.685 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.057 6.420 6.673 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.510 6.734 5.457 1.00 0.00 C ATOM 644 CE3 TRP A 42 8.974 5.611 3.387 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.033 7.950 4.974 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.500 6.818 2.909 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.533 7.974 3.700 1.00 0.00 C ATOM 0 H TRP A 42 9.575 2.220 7.370 1.00 0.00 H new ATOM 0 HA TRP A 42 8.137 2.682 4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.084 2.666 5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.492 3.031 4.035 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.828 4.562 7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.201 7.071 7.445 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.946 4.726 2.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.057 8.842 5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.097 6.871 1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.156 8.902 3.297 1.00 0.00 H new ATOM 658 N LEU A 43 8.639 0.638 3.546 1.00 0.00 N ATOM 659 CA LEU A 43 8.751 -0.639 2.848 1.00 0.00 C ATOM 660 C LEU A 43 9.293 -0.442 1.436 1.00 0.00 C ATOM 661 O LEU A 43 9.517 0.687 0.999 1.00 0.00 O ATOM 662 CB LEU A 43 7.389 -1.333 2.791 1.00 0.00 C ATOM 663 CG LEU A 43 6.606 -1.382 4.104 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.263 -2.066 3.899 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.412 -2.096 5.179 1.00 0.00 C ATOM 0 H LEU A 43 8.104 1.347 3.045 1.00 0.00 H new ATOM 0 HA LEU A 43 9.449 -1.267 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.777 -0.827 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.538 -2.355 2.442 1.00 0.00 H new ATOM 0 HG LEU A 43 6.423 -0.360 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.720 -2.092 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.682 -1.513 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.424 -3.084 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.840 -2.121 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.626 -3.115 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.349 -1.564 5.345 1.00 0.00 H new ATOM 677 N GLU A 44 9.500 -1.547 0.728 1.00 0.00 N ATOM 678 CA GLU A 44 10.015 -1.495 -0.636 1.00 0.00 C ATOM 679 C GLU A 44 9.127 -2.295 -1.584 1.00 0.00 C ATOM 680 O GLU A 44 8.373 -3.169 -1.157 1.00 0.00 O ATOM 681 CB GLU A 44 11.447 -2.032 -0.685 1.00 0.00 C ATOM 682 CG GLU A 44 12.202 -1.637 -1.943 1.00 0.00 C ATOM 683 CD GLU A 44 11.964 -2.598 -3.092 1.00 0.00 C ATOM 684 OE1 GLU A 44 12.249 -3.802 -2.925 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.495 -2.146 -4.157 1.00 0.00 O ATOM 0 H GLU A 44 9.319 -2.489 1.075 1.00 0.00 H new ATOM 0 HA GLU A 44 10.014 -0.454 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.993 -1.668 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.421 -3.119 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.899 -0.634 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.269 -1.595 -1.724 1.00 0.00 H new ATOM 692 N GLY A 45 9.222 -1.990 -2.875 1.00 0.00 N ATOM 693 CA GLY A 45 8.422 -2.689 -3.863 1.00 0.00 C ATOM 694 C GLY A 45 8.634 -2.153 -5.265 1.00 0.00 C ATOM 695 O GLY A 45 8.809 -0.950 -5.456 1.00 0.00 O ATOM 0 H GLY A 45 9.839 -1.271 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.670 -3.750 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.368 -2.602 -3.600 1.00 0.00 H new ATOM 699 N GLU A 46 8.620 -3.048 -6.248 1.00 0.00 N ATOM 700 CA GLU A 46 8.815 -2.657 -7.639 1.00 0.00 C ATOM 701 C GLU A 46 7.540 -2.873 -8.449 1.00 0.00 C ATOM 702 O GLU A 46 6.925 -3.938 -8.386 1.00 0.00 O ATOM 703 CB GLU A 46 9.967 -3.451 -8.259 1.00 0.00 C ATOM 704 CG GLU A 46 9.617 -4.899 -8.558 1.00 0.00 C ATOM 705 CD GLU A 46 10.826 -5.812 -8.518 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.588 -5.746 -7.531 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.011 -6.593 -9.475 1.00 0.00 O ATOM 0 H GLU A 46 8.476 -4.048 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 46 9.063 -1.596 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.278 -2.963 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.821 -3.425 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.880 -5.247 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.152 -4.961 -9.542 1.00 0.00 H new ATOM 798 N GLY A 52 10.746 2.104 -6.461 1.00 0.00 N ATOM 799 CA GLY A 52 11.291 2.924 -5.395 1.00 0.00 C ATOM 800 C GLY A 52 10.814 2.484 -4.024 1.00 0.00 C ATOM 801 O GLY A 52 10.436 1.328 -3.833 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.380 2.882 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.007 3.964 -5.559 1.00 0.00 H new ATOM 805 N ILE A 53 10.834 3.408 -3.069 1.00 0.00 N ATOM 806 CA ILE A 53 10.401 3.109 -1.710 1.00 0.00 C ATOM 807 C ILE A 53 9.094 3.822 -1.380 1.00 0.00 C ATOM 808 O ILE A 53 8.831 4.919 -1.874 1.00 0.00 O ATOM 809 CB ILE A 53 11.469 3.514 -0.677 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.828 4.993 -0.835 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.708 2.644 -0.827 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.731 5.516 0.260 1.00 0.00 C ATOM 0 H ILE A 53 11.145 4.369 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 53 10.247 2.031 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 53 11.062 3.363 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.317 5.139 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.911 5.582 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.454 2.942 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.440 1.599 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.119 2.766 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.944 6.570 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.237 5.402 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.664 4.953 0.262 1.00 0.00 H new ATOM 824 N PHE A 54 8.279 3.193 -0.539 1.00 0.00 N ATOM 825 CA PHE A 54 6.999 3.768 -0.142 1.00 0.00 C ATOM 826 C PHE A 54 6.599 3.292 1.252 1.00 0.00 C ATOM 827 O PHE A 54 6.996 2.219 1.707 1.00 0.00 O ATOM 828 CB PHE A 54 5.912 3.396 -1.152 1.00 0.00 C ATOM 829 CG PHE A 54 5.753 1.914 -1.342 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.601 1.216 -2.186 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.756 1.221 -0.676 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.456 -0.147 -2.363 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.606 -0.143 -0.849 1.00 0.00 C ATOM 834 CZ PHE A 54 5.458 -0.827 -1.693 1.00 0.00 C ATOM 0 H PHE A 54 8.482 2.286 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 54 7.107 4.852 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.962 3.816 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.147 3.854 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.384 1.743 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.088 1.752 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.123 -0.680 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.824 -0.672 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.344 -1.892 -1.829 1.00 0.00 H new ATOM 844 N PRO A 55 5.793 4.109 1.947 1.00 0.00 N ATOM 845 CA PRO A 55 5.321 3.793 3.298 1.00 0.00 C ATOM 846 C PRO A 55 4.323 2.640 3.309 1.00 0.00 C ATOM 847 O PRO A 55 3.800 2.249 2.265 1.00 0.00 O ATOM 848 CB PRO A 55 4.644 5.090 3.749 1.00 0.00 C ATOM 849 CG PRO A 55 4.235 5.763 2.485 1.00 0.00 C ATOM 850 CD PRO A 55 5.281 5.403 1.466 1.00 0.00 C ATOM 0 HA PRO A 55 6.134 3.471 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.783 4.886 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.327 5.713 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.248 5.428 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.177 6.843 2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.856 5.320 0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.069 6.154 1.417 1.00 0.00 H new ATOM 858 N ALA A 56 4.063 2.099 4.495 1.00 0.00 N ATOM 859 CA ALA A 56 3.126 0.992 4.641 1.00 0.00 C ATOM 860 C ALA A 56 1.707 1.501 4.871 1.00 0.00 C ATOM 861 O ALA A 56 0.794 1.184 4.110 1.00 0.00 O ATOM 862 CB ALA A 56 3.556 0.085 5.784 1.00 0.00 C ATOM 0 H ALA A 56 4.488 2.410 5.369 1.00 0.00 H new ATOM 0 HA ALA A 56 3.132 0.418 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.848 -0.738 5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.549 -0.314 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.580 0.656 6.712 1.00 0.00 H new ATOM 868 N ASN A 57 1.530 2.291 5.925 1.00 0.00 N ATOM 869 CA ASN A 57 0.221 2.843 6.255 1.00 0.00 C ATOM 870 C ASN A 57 -0.537 3.239 4.992 1.00 0.00 C ATOM 871 O ASN A 57 -1.739 2.998 4.875 1.00 0.00 O ATOM 872 CB ASN A 57 0.373 4.057 7.174 1.00 0.00 C ATOM 873 CG ASN A 57 0.918 5.269 6.444 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.094 5.315 6.084 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.062 6.260 6.223 1.00 0.00 N ATOM 0 H ASN A 57 2.276 2.563 6.565 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.350 2.073 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.595 4.303 7.609 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.038 3.804 7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.371 7.102 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.904 6.179 6.539 1.00 0.00 H new ATOM 882 N TYR A 58 0.174 3.847 4.048 1.00 0.00 N ATOM 883 CA TYR A 58 -0.432 4.278 2.794 1.00 0.00 C ATOM 884 C TYR A 58 -1.212 3.139 2.146 1.00 0.00 C ATOM 885 O TYR A 58 -2.332 3.329 1.671 1.00 0.00 O ATOM 886 CB TYR A 58 0.644 4.786 1.833 1.00 0.00 C ATOM 887 CG TYR A 58 0.921 6.267 1.963 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.585 6.774 3.074 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.520 7.159 0.977 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.841 8.126 3.198 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.772 8.512 1.092 1.00 0.00 C ATOM 892 CZ TYR A 58 1.433 8.991 2.204 1.00 0.00 C ATOM 893 OH TYR A 58 1.685 10.338 2.323 1.00 0.00 O ATOM 0 H TYR A 58 1.170 4.052 4.128 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.126 5.089 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.568 4.235 2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.336 4.571 0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.906 6.099 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.002 6.788 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.358 8.503 4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.453 9.191 0.315 1.00 0.00 H new ATOM 0 HH TYR A 58 1.334 10.807 1.538 1.00 0.00 H new ATOM 903 N VAL A 59 -0.612 1.953 2.130 1.00 0.00 N ATOM 904 CA VAL A 59 -1.249 0.781 1.542 1.00 0.00 C ATOM 905 C VAL A 59 -1.452 -0.315 2.583 1.00 0.00 C ATOM 906 O VAL A 59 -0.532 -0.656 3.325 1.00 0.00 O ATOM 907 CB VAL A 59 -0.419 0.217 0.374 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.167 1.293 -0.671 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.893 -0.361 0.883 1.00 0.00 C ATOM 0 H VAL A 59 0.315 1.779 2.518 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.219 1.104 1.165 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.986 -0.587 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.421 0.876 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.120 1.655 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.379 2.120 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.467 -0.755 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.467 0.421 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.687 -1.164 1.591 1.00 0.00 H new ATOM 919 N GLU A 60 -2.662 -0.862 2.630 1.00 0.00 N ATOM 920 CA GLU A 60 -2.985 -1.920 3.581 1.00 0.00 C ATOM 921 C GLU A 60 -3.471 -3.172 2.857 1.00 0.00 C ATOM 922 O GLU A 60 -4.164 -3.087 1.843 1.00 0.00 O ATOM 923 CB GLU A 60 -4.052 -1.441 4.567 1.00 0.00 C ATOM 924 CG GLU A 60 -4.059 -2.210 5.877 1.00 0.00 C ATOM 925 CD GLU A 60 -5.157 -1.752 6.818 1.00 0.00 C ATOM 926 OE1 GLU A 60 -5.501 -0.552 6.789 1.00 0.00 O ATOM 927 OE2 GLU A 60 -5.673 -2.594 7.582 1.00 0.00 O ATOM 0 H GLU A 60 -3.434 -0.591 2.022 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.078 -2.169 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.892 -0.383 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.033 -1.528 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.184 -3.273 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.093 -2.093 6.368 1.00 0.00 H new ATOM 934 N VAL A 61 -3.101 -4.335 3.385 1.00 0.00 N ATOM 935 CA VAL A 61 -3.499 -5.605 2.791 1.00 0.00 C ATOM 936 C VAL A 61 -5.016 -5.712 2.687 1.00 0.00 C ATOM 937 O VAL A 61 -5.707 -5.891 3.692 1.00 0.00 O ATOM 938 CB VAL A 61 -2.966 -6.798 3.607 1.00 0.00 C ATOM 939 CG1 VAL A 61 -3.415 -8.112 2.988 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.449 -6.738 3.708 1.00 0.00 C ATOM 0 H VAL A 61 -2.526 -4.423 4.223 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.066 -5.636 1.791 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.378 -6.740 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.029 -8.943 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.504 -8.153 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.034 -8.183 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.089 -7.588 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.016 -6.771 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.154 -5.812 4.201 1.00 0.00 H new