USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 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+ 170:sc= 0 (180deg=-0.0577) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -141:sc= -1.77 (180deg=-3.68!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0759 K(o=-0.076,f=-2!) 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=-0.078) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -0.156 (180deg=-1.66!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0739 X(o=-0.074,f=-0.56) USER MOD Single : A 57 ASN : amide:sc= -0.0305 K(o=-0.03,f=-0.58) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.569 -8.378 -2.132 1.00 0.00 N ATOM 89 CA ALA A 9 -0.539 -7.049 -2.730 1.00 0.00 C ATOM 90 C ALA A 9 -1.132 -6.009 -1.785 1.00 0.00 C ATOM 91 O ALA A 9 -1.776 -6.352 -0.795 1.00 0.00 O ATOM 92 CB ALA A 9 -1.288 -7.050 -4.054 1.00 0.00 C ATOM 0 HA ALA A 9 0.502 -6.783 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.258 -6.051 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.819 -7.758 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.325 -7.341 -3.885 1.00 0.00 H new ATOM 98 N ALA A 10 -0.908 -4.737 -2.099 1.00 0.00 N ATOM 99 CA ALA A 10 -1.421 -3.647 -1.278 1.00 0.00 C ATOM 100 C ALA A 10 -1.838 -2.460 -2.141 1.00 0.00 C ATOM 101 O ALA A 10 -1.061 -1.975 -2.963 1.00 0.00 O ATOM 102 CB ALA A 10 -0.378 -3.219 -0.257 1.00 0.00 C ATOM 0 H ALA A 10 -0.375 -4.436 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.304 -4.007 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.775 -2.404 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.131 -4.063 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.520 -2.882 -0.774 1.00 0.00 H new ATOM 108 N ARG A 11 -3.069 -1.997 -1.947 1.00 0.00 N ATOM 109 CA ARG A 11 -3.589 -0.868 -2.709 1.00 0.00 C ATOM 110 C ARG A 11 -3.310 0.448 -1.989 1.00 0.00 C ATOM 111 O ARG A 11 -3.683 0.624 -0.829 1.00 0.00 O ATOM 112 CB ARG A 11 -5.093 -1.029 -2.937 1.00 0.00 C ATOM 113 CG ARG A 11 -5.627 -0.196 -4.091 1.00 0.00 C ATOM 114 CD ARG A 11 -7.026 -0.636 -4.494 1.00 0.00 C ATOM 115 NE ARG A 11 -7.001 -1.792 -5.386 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.025 -2.624 -5.540 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.150 -2.427 -4.866 1.00 0.00 N ATOM 118 NH2 ARG A 11 -7.926 -3.654 -6.370 1.00 0.00 N ATOM 0 H ARG A 11 -3.724 -2.386 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.083 -0.848 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.313 -2.080 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.622 -0.752 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.643 0.856 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.956 -0.284 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.601 -0.880 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.538 0.191 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.151 -1.970 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.230 -1.635 -4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.935 -3.067 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.063 -3.808 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.713 -4.292 -6.487 1.00 0.00 H new ATOM 132 N LEU A 12 -2.652 1.369 -2.685 1.00 0.00 N ATOM 133 CA LEU A 12 -2.323 2.669 -2.113 1.00 0.00 C ATOM 134 C LEU A 12 -3.568 3.349 -1.552 1.00 0.00 C ATOM 135 O LEU A 12 -4.519 3.627 -2.282 1.00 0.00 O ATOM 136 CB LEU A 12 -1.672 3.564 -3.169 1.00 0.00 C ATOM 137 CG LEU A 12 -0.151 3.466 -3.286 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.512 3.858 -1.975 1.00 0.00 C ATOM 139 CD2 LEU A 12 0.264 2.061 -3.696 1.00 0.00 C ATOM 0 H LEU A 12 -2.336 1.239 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.619 2.510 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.107 3.323 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.934 4.599 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 12 0.179 4.160 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.594 3.782 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.242 4.884 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.175 3.190 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.350 2.011 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.079 1.347 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.181 1.817 -4.661 1.00 0.00 H new ATOM 151 N LYS A 13 -3.555 3.616 -0.250 1.00 0.00 N ATOM 152 CA LYS A 13 -4.680 4.267 0.409 1.00 0.00 C ATOM 153 C LYS A 13 -5.085 5.538 -0.331 1.00 0.00 C ATOM 154 O LYS A 13 -6.267 5.875 -0.407 1.00 0.00 O ATOM 155 CB LYS A 13 -4.325 4.601 1.860 1.00 0.00 C ATOM 156 CG LYS A 13 -4.199 3.378 2.752 1.00 0.00 C ATOM 157 CD LYS A 13 -4.369 3.738 4.219 1.00 0.00 C ATOM 158 CE LYS A 13 -5.835 3.923 4.581 1.00 0.00 C ATOM 159 NZ LYS A 13 -6.552 2.621 4.676 1.00 0.00 N ATOM 0 H LYS A 13 -2.777 3.391 0.370 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.523 3.576 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.385 5.152 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.089 5.262 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.950 2.640 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.224 2.915 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.936 2.954 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.821 4.655 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.910 4.449 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.318 4.550 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.495 2.773 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.650 2.209 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.012 1.971 5.282 1.00 0.00 H new ATOM 173 N PHE A 14 -4.097 6.238 -0.877 1.00 0.00 N ATOM 174 CA PHE A 14 -4.350 7.472 -1.613 1.00 0.00 C ATOM 175 C PHE A 14 -3.191 7.793 -2.552 1.00 0.00 C ATOM 176 O PHE A 14 -2.160 7.121 -2.535 1.00 0.00 O ATOM 177 CB PHE A 14 -4.571 8.634 -0.642 1.00 0.00 C ATOM 178 CG PHE A 14 -5.687 8.394 0.335 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.455 7.712 1.518 1.00 0.00 C ATOM 180 CD2 PHE A 14 -6.967 8.852 0.069 1.00 0.00 C ATOM 181 CE1 PHE A 14 -6.480 7.490 2.419 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.996 8.634 0.967 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.752 7.951 2.142 1.00 0.00 C ATOM 0 H PHE A 14 -3.114 5.972 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.250 7.331 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.649 8.817 -0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.786 9.538 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.462 7.349 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.164 9.385 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.286 6.957 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.989 8.998 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.555 7.778 2.843 1.00 0.00 H new ATOM 193 N ASP A 15 -3.369 8.824 -3.371 1.00 0.00 N ATOM 194 CA ASP A 15 -2.339 9.236 -4.317 1.00 0.00 C ATOM 195 C ASP A 15 -1.102 9.747 -3.586 1.00 0.00 C ATOM 196 O ASP A 15 -1.143 10.786 -2.927 1.00 0.00 O ATOM 197 CB ASP A 15 -2.879 10.320 -5.252 1.00 0.00 C ATOM 198 CG ASP A 15 -3.681 11.373 -4.514 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.065 12.307 -3.957 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.925 11.265 -4.493 1.00 0.00 O ATOM 0 H ASP A 15 -4.217 9.390 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.055 8.366 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.047 10.797 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.506 9.858 -6.015 1.00 0.00 H new ATOM 205 N PHE A 16 -0.003 9.009 -3.706 1.00 0.00 N ATOM 206 CA PHE A 16 1.246 9.387 -3.054 1.00 0.00 C ATOM 207 C PHE A 16 2.203 10.039 -4.048 1.00 0.00 C ATOM 208 O PHE A 16 2.489 9.479 -5.106 1.00 0.00 O ATOM 209 CB PHE A 16 1.907 8.160 -2.422 1.00 0.00 C ATOM 210 CG PHE A 16 3.190 8.473 -1.707 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.192 9.278 -0.579 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.395 7.961 -2.161 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.371 9.568 0.081 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.578 8.247 -1.506 1.00 0.00 C ATOM 215 CZ PHE A 16 5.565 9.051 -0.383 1.00 0.00 C ATOM 0 H PHE A 16 0.048 8.147 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 16 1.015 10.110 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.210 7.703 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.104 7.422 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.261 9.684 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.410 7.331 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.359 10.198 0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.510 7.843 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.488 9.275 0.132 1.00 0.00 H new ATOM 225 N GLN A 17 2.692 11.224 -3.700 1.00 0.00 N ATOM 226 CA GLN A 17 3.615 11.953 -4.562 1.00 0.00 C ATOM 227 C GLN A 17 5.010 12.002 -3.947 1.00 0.00 C ATOM 228 O GLN A 17 5.254 12.743 -2.996 1.00 0.00 O ATOM 229 CB GLN A 17 3.103 13.373 -4.807 1.00 0.00 C ATOM 230 CG GLN A 17 1.710 13.422 -5.416 1.00 0.00 C ATOM 231 CD GLN A 17 1.135 14.824 -5.446 1.00 0.00 C ATOM 232 OE1 GLN A 17 0.729 15.363 -4.416 1.00 0.00 O ATOM 233 NE2 GLN A 17 1.096 15.423 -6.630 1.00 0.00 N ATOM 0 H GLN A 17 2.465 11.700 -2.827 1.00 0.00 H new ATOM 0 HA GLN A 17 3.676 11.427 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.096 13.916 -3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.798 13.892 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.747 13.027 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.045 12.773 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.443 14.939 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.719 16.367 -6.712 1.00 0.00 H new ATOM 242 N ALA A 18 5.921 11.207 -4.498 1.00 0.00 N ATOM 243 CA ALA A 18 7.292 11.160 -4.005 1.00 0.00 C ATOM 244 C ALA A 18 8.124 12.298 -4.587 1.00 0.00 C ATOM 245 O ALA A 18 8.160 12.493 -5.802 1.00 0.00 O ATOM 246 CB ALA A 18 7.927 9.818 -4.335 1.00 0.00 C ATOM 0 H ALA A 18 5.734 10.587 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 18 7.266 11.280 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.951 9.798 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.353 9.019 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.933 9.674 -5.415 1.00 0.00 H new ATOM 252 N GLN A 19 8.790 13.046 -3.714 1.00 0.00 N ATOM 253 CA GLN A 19 9.619 14.166 -4.143 1.00 0.00 C ATOM 254 C GLN A 19 11.079 13.742 -4.276 1.00 0.00 C ATOM 255 O GLN A 19 11.816 14.272 -5.107 1.00 0.00 O ATOM 256 CB GLN A 19 9.501 15.325 -3.153 1.00 0.00 C ATOM 257 CG GLN A 19 10.323 16.544 -3.541 1.00 0.00 C ATOM 258 CD GLN A 19 10.265 17.643 -2.499 1.00 0.00 C ATOM 259 OE1 GLN A 19 10.035 17.382 -1.317 1.00 0.00 O ATOM 260 NE2 GLN A 19 10.475 18.881 -2.931 1.00 0.00 N ATOM 0 H GLN A 19 8.772 12.897 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 19 9.264 14.495 -5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.454 15.615 -3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.817 14.983 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.360 16.245 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.962 16.932 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.662 19.052 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.449 19.661 -2.275 1.00 0.00 H new ATOM 269 N SER A 20 11.489 12.784 -3.452 1.00 0.00 N ATOM 270 CA SER A 20 12.861 12.292 -3.474 1.00 0.00 C ATOM 271 C SER A 20 13.008 11.135 -4.459 1.00 0.00 C ATOM 272 O SER A 20 12.047 10.437 -4.784 1.00 0.00 O ATOM 273 CB SER A 20 13.288 11.842 -2.075 1.00 0.00 C ATOM 274 OG SER A 20 13.530 12.956 -1.234 1.00 0.00 O ATOM 0 H SER A 20 10.890 12.333 -2.760 1.00 0.00 H new ATOM 0 HA SER A 20 13.507 13.108 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.511 11.214 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.189 11.232 -2.145 1.00 0.00 H new ATOM 0 HG SER A 20 13.800 12.643 -0.345 1.00 0.00 H new ATOM 280 N PRO A 21 14.240 10.927 -4.946 1.00 0.00 N ATOM 281 CA PRO A 21 14.543 9.856 -5.900 1.00 0.00 C ATOM 282 C PRO A 21 14.453 8.472 -5.266 1.00 0.00 C ATOM 283 O PRO A 21 14.243 7.474 -5.956 1.00 0.00 O ATOM 284 CB PRO A 21 15.982 10.157 -6.326 1.00 0.00 C ATOM 285 CG PRO A 21 16.563 10.918 -5.184 1.00 0.00 C ATOM 286 CD PRO A 21 15.432 11.720 -4.603 1.00 0.00 C ATOM 0 HA PRO A 21 13.834 9.835 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.539 9.239 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.009 10.741 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.985 10.243 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.371 11.568 -5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.538 11.841 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.386 12.721 -5.033 1.00 0.00 H new ATOM 294 N LYS A 22 14.613 8.419 -3.948 1.00 0.00 N ATOM 295 CA LYS A 22 14.548 7.157 -3.220 1.00 0.00 C ATOM 296 C LYS A 22 13.103 6.694 -3.061 1.00 0.00 C ATOM 297 O LYS A 22 12.817 5.498 -3.110 1.00 0.00 O ATOM 298 CB LYS A 22 15.201 7.305 -1.844 1.00 0.00 C ATOM 299 CG LYS A 22 16.689 6.999 -1.840 1.00 0.00 C ATOM 300 CD LYS A 22 17.159 6.531 -0.473 1.00 0.00 C ATOM 301 CE LYS A 22 16.765 5.086 -0.212 1.00 0.00 C ATOM 302 NZ LYS A 22 15.397 4.979 0.368 1.00 0.00 N ATOM 0 H LYS A 22 14.789 9.235 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 22 15.090 6.406 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.047 8.323 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.700 6.640 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.905 6.231 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.245 7.890 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.242 6.632 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.731 7.171 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.809 4.524 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.484 4.631 0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.385 4.233 1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.131 5.887 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.719 4.742 -0.384 1.00 0.00 H new ATOM 316 N GLU A 23 12.198 7.649 -2.874 1.00 0.00 N ATOM 317 CA GLU A 23 10.783 7.337 -2.709 1.00 0.00 C ATOM 318 C GLU A 23 10.197 6.771 -4.000 1.00 0.00 C ATOM 319 O GLU A 23 10.874 6.705 -5.026 1.00 0.00 O ATOM 320 CB GLU A 23 10.007 8.587 -2.290 1.00 0.00 C ATOM 321 CG GLU A 23 10.011 8.831 -0.790 1.00 0.00 C ATOM 322 CD GLU A 23 9.585 10.240 -0.427 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.370 11.179 -0.671 1.00 0.00 O ATOM 324 OE2 GLU A 23 8.465 10.403 0.101 1.00 0.00 O ATOM 0 H GLU A 23 12.419 8.644 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 23 10.693 6.583 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.434 9.455 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.976 8.496 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.342 8.118 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.011 8.646 -0.398 1.00 0.00 H new ATOM 331 N LEU A 24 8.934 6.362 -3.940 1.00 0.00 N ATOM 332 CA LEU A 24 8.255 5.801 -5.103 1.00 0.00 C ATOM 333 C LEU A 24 6.951 6.541 -5.382 1.00 0.00 C ATOM 334 O LEU A 24 6.136 6.748 -4.482 1.00 0.00 O ATOM 335 CB LEU A 24 7.974 4.313 -4.885 1.00 0.00 C ATOM 336 CG LEU A 24 7.949 3.444 -6.142 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.545 2.018 -5.798 1.00 0.00 C ATOM 338 CD2 LEU A 24 7.002 4.032 -7.179 1.00 0.00 C ATOM 0 H LEU A 24 8.360 6.408 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 24 8.909 5.918 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.731 3.916 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.013 4.215 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 24 8.953 3.424 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.533 1.414 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.261 1.597 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.551 2.019 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.997 3.400 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.995 4.083 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.335 5.034 -7.449 1.00 0.00 H new ATOM 350 N THR A 25 6.759 6.938 -6.637 1.00 0.00 N ATOM 351 CA THR A 25 5.554 7.654 -7.036 1.00 0.00 C ATOM 352 C THR A 25 4.432 6.686 -7.395 1.00 0.00 C ATOM 353 O THR A 25 4.542 5.920 -8.353 1.00 0.00 O ATOM 354 CB THR A 25 5.822 8.579 -8.237 1.00 0.00 C ATOM 355 OG1 THR A 25 6.820 9.547 -7.897 1.00 0.00 O ATOM 356 CG2 THR A 25 4.547 9.288 -8.669 1.00 0.00 C ATOM 0 H THR A 25 7.423 6.775 -7.394 1.00 0.00 H new ATOM 0 HA THR A 25 5.249 8.259 -6.182 1.00 0.00 H new ATOM 0 HB THR A 25 6.178 7.967 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.986 10.130 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.761 9.936 -9.519 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.799 8.549 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.166 9.888 -7.842 1.00 0.00 H new ATOM 364 N LEU A 26 3.353 6.725 -6.621 1.00 0.00 N ATOM 365 CA LEU A 26 2.210 5.851 -6.858 1.00 0.00 C ATOM 366 C LEU A 26 0.903 6.636 -6.806 1.00 0.00 C ATOM 367 O LEU A 26 0.771 7.588 -6.036 1.00 0.00 O ATOM 368 CB LEU A 26 2.182 4.723 -5.825 1.00 0.00 C ATOM 369 CG LEU A 26 3.492 3.960 -5.628 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.493 3.237 -4.290 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.714 2.978 -6.768 1.00 0.00 C ATOM 0 H LEU A 26 3.246 7.353 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 26 2.314 5.421 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.882 5.144 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.410 4.010 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 26 4.312 4.678 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.433 2.700 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.382 3.963 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.664 2.530 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.651 2.444 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.891 2.265 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.760 3.521 -7.712 1.00 0.00 H new ATOM 383 N GLN A 27 -0.059 6.230 -7.627 1.00 0.00 N ATOM 384 CA GLN A 27 -1.355 6.896 -7.673 1.00 0.00 C ATOM 385 C GLN A 27 -2.391 6.127 -6.860 1.00 0.00 C ATOM 386 O GLN A 27 -2.271 4.917 -6.667 1.00 0.00 O ATOM 387 CB GLN A 27 -1.829 7.038 -9.121 1.00 0.00 C ATOM 388 CG GLN A 27 -3.294 7.423 -9.247 1.00 0.00 C ATOM 389 CD GLN A 27 -3.613 8.080 -10.575 1.00 0.00 C ATOM 390 OE1 GLN A 27 -2.729 8.615 -11.244 1.00 0.00 O ATOM 391 NE2 GLN A 27 -4.882 8.043 -10.965 1.00 0.00 N ATOM 0 H GLN A 27 0.034 5.443 -8.269 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.241 7.888 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.220 7.791 -9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.664 6.095 -9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.911 6.532 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.558 8.103 -8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.583 7.589 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.156 8.469 -11.850 1.00 0.00 H new ATOM 400 N LYS A 28 -3.409 6.836 -6.385 1.00 0.00 N ATOM 401 CA LYS A 28 -4.468 6.221 -5.593 1.00 0.00 C ATOM 402 C LYS A 28 -5.074 5.029 -6.327 1.00 0.00 C ATOM 403 O LYS A 28 -5.485 5.143 -7.480 1.00 0.00 O ATOM 404 CB LYS A 28 -5.558 7.247 -5.276 1.00 0.00 C ATOM 405 CG LYS A 28 -6.780 6.648 -4.603 1.00 0.00 C ATOM 406 CD LYS A 28 -7.966 7.597 -4.652 1.00 0.00 C ATOM 407 CE LYS A 28 -9.286 6.842 -4.619 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.706 6.522 -3.227 1.00 0.00 N ATOM 0 H LYS A 28 -3.523 7.838 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.030 5.866 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.141 8.020 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.866 7.735 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.043 5.710 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.545 6.411 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.918 8.285 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.913 8.200 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.058 7.439 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.191 5.919 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.610 6.008 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.981 5.931 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.821 7.404 -2.688 1.00 0.00 H new ATOM 422 N GLY A 29 -5.126 3.887 -5.649 1.00 0.00 N ATOM 423 CA GLY A 29 -5.685 2.691 -6.252 1.00 0.00 C ATOM 424 C GLY A 29 -4.705 1.995 -7.176 1.00 0.00 C ATOM 425 O GLY A 29 -5.024 1.711 -8.330 1.00 0.00 O ATOM 0 H GLY A 29 -4.791 3.768 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.991 2.001 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.582 2.955 -6.812 1.00 0.00 H new ATOM 429 N ASP A 30 -3.508 1.722 -6.667 1.00 0.00 N ATOM 430 CA ASP A 30 -2.477 1.055 -7.455 1.00 0.00 C ATOM 431 C ASP A 30 -1.924 -0.156 -6.711 1.00 0.00 C ATOM 432 O ASP A 30 -1.741 -0.119 -5.494 1.00 0.00 O ATOM 433 CB ASP A 30 -1.345 2.030 -7.781 1.00 0.00 C ATOM 434 CG ASP A 30 -1.663 2.909 -8.974 1.00 0.00 C ATOM 435 OD1 ASP A 30 -2.426 2.460 -9.856 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.151 4.046 -9.027 1.00 0.00 O ATOM 0 H ASP A 30 -3.228 1.952 -5.714 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.929 0.712 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.150 2.659 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.432 1.469 -7.980 1.00 0.00 H new ATOM 441 N ILE A 31 -1.661 -1.228 -7.450 1.00 0.00 N ATOM 442 CA ILE A 31 -1.128 -2.450 -6.860 1.00 0.00 C ATOM 443 C ILE A 31 0.387 -2.522 -7.017 1.00 0.00 C ATOM 444 O ILE A 31 0.925 -2.233 -8.086 1.00 0.00 O ATOM 445 CB ILE A 31 -1.759 -3.703 -7.496 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.279 -3.678 -7.327 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.173 -4.963 -6.877 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.728 -3.727 -5.883 1.00 0.00 C ATOM 0 H ILE A 31 -1.808 -1.275 -8.458 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.379 -2.424 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.531 -3.705 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.673 -2.774 -7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.710 -4.524 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.629 -5.840 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.096 -4.984 -7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.374 -4.969 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.817 -3.706 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.364 -4.644 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.327 -2.866 -5.348 1.00 0.00 H new ATOM 460 N VAL A 32 1.070 -2.910 -5.945 1.00 0.00 N ATOM 461 CA VAL A 32 2.523 -3.023 -5.964 1.00 0.00 C ATOM 462 C VAL A 32 2.986 -4.284 -5.244 1.00 0.00 C ATOM 463 O VAL A 32 2.344 -4.743 -4.298 1.00 0.00 O ATOM 464 CB VAL A 32 3.190 -1.798 -5.310 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.763 -0.519 -6.013 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.856 -1.738 -3.827 1.00 0.00 C ATOM 0 H VAL A 32 0.640 -3.151 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 32 2.822 -3.075 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 32 4.271 -1.897 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.244 0.336 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.058 -0.564 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.681 -0.410 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.335 -0.867 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.776 -1.663 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.217 -2.642 -3.336 1.00 0.00 H new ATOM 476 N TYR A 33 4.103 -4.841 -5.697 1.00 0.00 N ATOM 477 CA TYR A 33 4.652 -6.052 -5.097 1.00 0.00 C ATOM 478 C TYR A 33 5.810 -5.720 -4.162 1.00 0.00 C ATOM 479 O TYR A 33 6.855 -5.235 -4.598 1.00 0.00 O ATOM 480 CB TYR A 33 5.122 -7.018 -6.186 1.00 0.00 C ATOM 481 CG TYR A 33 5.024 -8.473 -5.787 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.790 -9.099 -5.662 1.00 0.00 C ATOM 483 CD2 TYR A 33 6.167 -9.223 -5.537 1.00 0.00 C ATOM 484 CE1 TYR A 33 3.697 -10.428 -5.297 1.00 0.00 C ATOM 485 CE2 TYR A 33 6.083 -10.553 -5.173 1.00 0.00 C ATOM 486 CZ TYR A 33 4.846 -11.151 -5.054 1.00 0.00 C ATOM 487 OH TYR A 33 4.757 -12.476 -4.692 1.00 0.00 O ATOM 0 H TYR A 33 4.647 -4.474 -6.478 1.00 0.00 H new ATOM 0 HA TYR A 33 3.863 -6.528 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.528 -6.856 -7.085 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.156 -6.789 -6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.888 -8.537 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.137 -8.758 -5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.729 -10.898 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.981 -11.121 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 33 5.657 -12.840 -4.559 1.00 0.00 H new ATOM 497 N ILE A 34 5.617 -5.984 -2.874 1.00 0.00 N ATOM 498 CA ILE A 34 6.646 -5.716 -1.877 1.00 0.00 C ATOM 499 C ILE A 34 7.678 -6.837 -1.835 1.00 0.00 C ATOM 500 O ILE A 34 7.419 -7.914 -1.298 1.00 0.00 O ATOM 501 CB ILE A 34 6.037 -5.542 -0.473 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.033 -4.387 -0.468 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.133 -5.302 0.554 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.619 -4.814 -0.798 1.00 0.00 C ATOM 0 H ILE A 34 4.758 -6.383 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 34 7.135 -4.787 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 34 5.510 -6.458 -0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.041 -3.913 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.354 -3.634 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.687 -5.181 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.814 -6.153 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.685 -4.399 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.962 -3.945 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.596 -5.261 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.279 -5.544 -0.064 1.00 0.00 H new ATOM 516 N HIS A 35 8.850 -6.576 -2.405 1.00 0.00 N ATOM 517 CA HIS A 35 9.924 -7.564 -2.432 1.00 0.00 C ATOM 518 C HIS A 35 10.649 -7.613 -1.090 1.00 0.00 C ATOM 519 O HIS A 35 11.013 -8.686 -0.608 1.00 0.00 O ATOM 520 CB HIS A 35 10.915 -7.240 -3.549 1.00 0.00 C ATOM 521 CG HIS A 35 11.934 -8.314 -3.776 1.00 0.00 C ATOM 522 ND1 HIS A 35 11.603 -9.644 -3.933 1.00 0.00 N ATOM 523 CD2 HIS A 35 13.282 -8.249 -3.875 1.00 0.00 C ATOM 524 CE1 HIS A 35 12.704 -10.350 -4.116 1.00 0.00 C ATOM 525 NE2 HIS A 35 13.737 -9.528 -4.085 1.00 0.00 N ATOM 0 H HIS A 35 9.081 -5.690 -2.854 1.00 0.00 H new ATOM 0 HA HIS A 35 9.481 -8.542 -2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.364 -7.072 -4.474 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.428 -6.309 -3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.887 -7.358 -3.802 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.751 -11.419 -4.266 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.714 -9.799 -4.199 1.00 0.00 H new ATOM 533 N LYS A 36 10.857 -6.445 -0.492 1.00 0.00 N ATOM 534 CA LYS A 36 11.539 -6.354 0.793 1.00 0.00 C ATOM 535 C LYS A 36 10.962 -5.221 1.636 1.00 0.00 C ATOM 536 O LYS A 36 10.101 -4.472 1.177 1.00 0.00 O ATOM 537 CB LYS A 36 13.039 -6.136 0.584 1.00 0.00 C ATOM 538 CG LYS A 36 13.378 -4.788 -0.027 1.00 0.00 C ATOM 539 CD LYS A 36 14.857 -4.683 -0.362 1.00 0.00 C ATOM 540 CE LYS A 36 15.681 -4.319 0.864 1.00 0.00 C ATOM 541 NZ LYS A 36 16.041 -5.520 1.666 1.00 0.00 N ATOM 0 H LYS A 36 10.563 -5.548 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 36 11.386 -7.293 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.548 -6.229 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.426 -6.925 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.788 -4.639 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.104 -3.994 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.207 -5.632 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.003 -3.930 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.590 -3.805 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.119 -3.622 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.622 -5.442 2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.677 -6.373 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.076 -5.585 1.749 1.00 0.00 H new ATOM 555 N GLU A 37 11.444 -5.102 2.869 1.00 0.00 N ATOM 556 CA GLU A 37 10.975 -4.059 3.774 1.00 0.00 C ATOM 557 C GLU A 37 12.132 -3.174 4.230 1.00 0.00 C ATOM 558 O GLU A 37 13.063 -3.641 4.888 1.00 0.00 O ATOM 559 CB GLU A 37 10.284 -4.680 4.989 1.00 0.00 C ATOM 560 CG GLU A 37 9.548 -3.670 5.854 1.00 0.00 C ATOM 561 CD GLU A 37 8.458 -4.305 6.694 1.00 0.00 C ATOM 562 OE1 GLU A 37 7.419 -4.697 6.121 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.643 -4.411 7.924 1.00 0.00 O ATOM 0 H GLU A 37 12.158 -5.714 3.264 1.00 0.00 H new ATOM 0 HA GLU A 37 10.258 -3.441 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.577 -5.436 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.029 -5.192 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.262 -3.170 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.109 -2.903 5.216 1.00 0.00 H new ATOM 570 N VAL A 38 12.067 -1.895 3.876 1.00 0.00 N ATOM 571 CA VAL A 38 13.108 -0.944 4.249 1.00 0.00 C ATOM 572 C VAL A 38 13.141 -0.730 5.758 1.00 0.00 C ATOM 573 O VAL A 38 14.096 -1.122 6.430 1.00 0.00 O ATOM 574 CB VAL A 38 12.902 0.415 3.554 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.124 1.301 3.741 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.598 0.216 2.076 1.00 0.00 C ATOM 0 H VAL A 38 11.304 -1.493 3.331 1.00 0.00 H new ATOM 0 HA VAL A 38 14.057 -1.370 3.924 1.00 0.00 H new ATOM 0 HB VAL A 38 12.048 0.913 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.960 2.257 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.292 1.470 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.997 0.812 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.455 1.186 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.430 -0.303 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.691 -0.378 1.968 1.00 0.00 H new ATOM 586 N ASP A 39 12.093 -0.107 6.285 1.00 0.00 N ATOM 587 CA ASP A 39 12.002 0.158 7.716 1.00 0.00 C ATOM 588 C ASP A 39 10.670 -0.332 8.276 1.00 0.00 C ATOM 589 O ASP A 39 9.732 -0.607 7.526 1.00 0.00 O ATOM 590 CB ASP A 39 12.165 1.653 7.991 1.00 0.00 C ATOM 591 CG ASP A 39 12.560 1.938 9.427 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.362 1.162 9.986 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.066 2.937 9.992 1.00 0.00 O ATOM 0 H ASP A 39 11.295 0.224 5.743 1.00 0.00 H new ATOM 0 HA ASP A 39 12.806 -0.385 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.921 2.062 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.229 2.165 7.766 1.00 0.00 H new ATOM 598 N LYS A 40 10.592 -0.440 9.598 1.00 0.00 N ATOM 599 CA LYS A 40 9.376 -0.896 10.259 1.00 0.00 C ATOM 600 C LYS A 40 8.146 -0.221 9.661 1.00 0.00 C ATOM 601 O LYS A 40 7.032 -0.733 9.767 1.00 0.00 O ATOM 602 CB LYS A 40 9.449 -0.610 11.760 1.00 0.00 C ATOM 603 CG LYS A 40 8.290 -1.196 12.548 1.00 0.00 C ATOM 604 CD LYS A 40 8.003 -0.387 13.803 1.00 0.00 C ATOM 605 CE LYS A 40 6.808 -0.943 14.563 1.00 0.00 C ATOM 606 NZ LYS A 40 7.197 -2.060 15.467 1.00 0.00 N ATOM 0 H LYS A 40 11.358 -0.217 10.233 1.00 0.00 H new ATOM 0 HA LYS A 40 9.290 -1.972 10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.384 -1.010 12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.474 0.469 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.399 -1.224 11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.519 -2.226 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.881 -0.392 14.449 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.812 0.651 13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.347 -0.147 15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.058 -1.294 13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.355 -2.411 15.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.614 -2.831 14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.894 -1.719 16.160 1.00 0.00 H new ATOM 620 N ASN A 41 8.355 0.931 9.032 1.00 0.00 N ATOM 621 CA ASN A 41 7.263 1.676 8.416 1.00 0.00 C ATOM 622 C ASN A 41 7.471 1.801 6.910 1.00 0.00 C ATOM 623 O ASN A 41 6.518 1.737 6.134 1.00 0.00 O ATOM 624 CB ASN A 41 7.149 3.066 9.044 1.00 0.00 C ATOM 625 CG ASN A 41 6.222 3.084 10.244 1.00 0.00 C ATOM 626 OD1 ASN A 41 5.130 2.517 10.207 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.654 3.739 11.316 1.00 0.00 N ATOM 0 H ASN A 41 9.271 1.369 8.935 1.00 0.00 H new ATOM 0 HA ASN A 41 6.337 1.128 8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.139 3.407 9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.785 3.771 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.073 3.786 12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.567 4.194 11.302 1.00 0.00 H new ATOM 634 N TRP A 42 8.723 1.980 6.505 1.00 0.00 N ATOM 635 CA TRP A 42 9.057 2.113 5.091 1.00 0.00 C ATOM 636 C TRP A 42 9.119 0.748 4.415 1.00 0.00 C ATOM 637 O TRP A 42 9.784 -0.167 4.902 1.00 0.00 O ATOM 638 CB TRP A 42 10.393 2.839 4.928 1.00 0.00 C ATOM 639 CG TRP A 42 10.353 4.267 5.381 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.812 4.763 6.568 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.824 5.382 4.656 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.599 6.120 6.624 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.996 6.524 5.463 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.223 5.528 3.402 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.587 7.791 5.056 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.818 6.786 3.000 1.00 0.00 C ATOM 647 CH2 TRP A 42 9.002 7.905 3.824 1.00 0.00 C ATOM 0 H TRP A 42 9.523 2.036 7.135 1.00 0.00 H new ATOM 0 HA TRP A 42 8.273 2.699 4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.158 2.307 5.493 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.691 2.806 3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.274 4.176 7.348 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.850 6.727 7.404 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.078 4.672 2.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.726 8.654 5.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.351 6.910 2.034 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.676 8.875 3.480 1.00 0.00 H new ATOM 658 N LEU A 43 8.424 0.618 3.290 1.00 0.00 N ATOM 659 CA LEU A 43 8.402 -0.637 2.546 1.00 0.00 C ATOM 660 C LEU A 43 9.242 -0.534 1.278 1.00 0.00 C ATOM 661 O LEU A 43 9.797 0.522 0.974 1.00 0.00 O ATOM 662 CB LEU A 43 6.963 -1.015 2.189 1.00 0.00 C ATOM 663 CG LEU A 43 6.020 -1.255 3.368 1.00 0.00 C ATOM 664 CD1 LEU A 43 6.400 -2.530 4.105 1.00 0.00 C ATOM 665 CD2 LEU A 43 6.036 -0.065 4.316 1.00 0.00 C ATOM 0 H LEU A 43 7.869 1.365 2.873 1.00 0.00 H new ATOM 0 HA LEU A 43 8.829 -1.414 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.543 -0.222 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.986 -1.918 1.579 1.00 0.00 H new ATOM 0 HG LEU A 43 5.008 -1.371 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.718 -2.684 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.335 -3.378 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.420 -2.443 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.359 -0.254 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.047 0.083 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.714 0.829 3.783 1.00 0.00 H new ATOM 677 N GLU A 44 9.330 -1.636 0.540 1.00 0.00 N ATOM 678 CA GLU A 44 10.101 -1.668 -0.697 1.00 0.00 C ATOM 679 C GLU A 44 9.444 -2.583 -1.725 1.00 0.00 C ATOM 680 O GLU A 44 9.034 -3.699 -1.408 1.00 0.00 O ATOM 681 CB GLU A 44 11.531 -2.138 -0.420 1.00 0.00 C ATOM 682 CG GLU A 44 12.478 -1.928 -1.589 1.00 0.00 C ATOM 683 CD GLU A 44 13.926 -1.810 -1.154 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.171 -1.703 0.066 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.813 -1.824 -2.032 1.00 0.00 O ATOM 0 H GLU A 44 8.877 -2.518 0.777 1.00 0.00 H new ATOM 0 HA GLU A 44 10.130 -0.657 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.917 -1.606 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.513 -3.197 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.379 -2.760 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.190 -1.025 -2.127 1.00 0.00 H new ATOM 692 N GLY A 45 9.345 -2.101 -2.961 1.00 0.00 N ATOM 693 CA GLY A 45 8.736 -2.887 -4.018 1.00 0.00 C ATOM 694 C GLY A 45 9.105 -2.386 -5.400 1.00 0.00 C ATOM 695 O GLY A 45 9.953 -1.506 -5.541 1.00 0.00 O ATOM 0 H GLY A 45 9.676 -1.180 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.046 -3.927 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.652 -2.865 -3.904 1.00 0.00 H new ATOM 699 N GLU A 46 8.469 -2.949 -6.421 1.00 0.00 N ATOM 700 CA GLU A 46 8.738 -2.555 -7.799 1.00 0.00 C ATOM 701 C GLU A 46 7.497 -2.738 -8.670 1.00 0.00 C ATOM 702 O GLU A 46 6.868 -3.796 -8.659 1.00 0.00 O ATOM 703 CB GLU A 46 9.899 -3.372 -8.369 1.00 0.00 C ATOM 704 CG GLU A 46 9.527 -4.807 -8.704 1.00 0.00 C ATOM 705 CD GLU A 46 10.720 -5.743 -8.662 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.042 -6.246 -7.565 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.330 -5.973 -9.727 1.00 0.00 O ATOM 0 H GLU A 46 7.764 -3.679 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 46 9.010 -1.499 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.269 -2.882 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.717 -3.376 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.771 -5.156 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.079 -4.840 -9.697 1.00 0.00 H new ATOM 798 N GLY A 52 10.833 1.880 -6.386 1.00 0.00 N ATOM 799 CA GLY A 52 11.377 2.620 -5.263 1.00 0.00 C ATOM 800 C GLY A 52 10.859 2.115 -3.931 1.00 0.00 C ATOM 801 O GLY A 52 10.832 0.909 -3.684 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.465 2.548 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.125 3.675 -5.371 1.00 0.00 H new ATOM 805 N ILE A 53 10.449 3.040 -3.068 1.00 0.00 N ATOM 806 CA ILE A 53 9.930 2.681 -1.754 1.00 0.00 C ATOM 807 C ILE A 53 8.687 3.496 -1.413 1.00 0.00 C ATOM 808 O ILE A 53 8.411 4.519 -2.039 1.00 0.00 O ATOM 809 CB ILE A 53 10.988 2.894 -0.655 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.231 4.388 -0.433 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.285 2.189 -1.023 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.074 4.689 0.786 1.00 0.00 C ATOM 0 H ILE A 53 10.466 4.042 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 53 9.668 1.624 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 53 10.616 2.464 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.720 4.803 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.270 4.893 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.022 2.349 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.100 1.121 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.664 2.591 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.205 5.767 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.577 4.304 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.049 4.213 0.681 1.00 0.00 H new ATOM 824 N PHE A 54 7.941 3.036 -0.415 1.00 0.00 N ATOM 825 CA PHE A 54 6.727 3.722 0.011 1.00 0.00 C ATOM 826 C PHE A 54 6.389 3.381 1.460 1.00 0.00 C ATOM 827 O PHE A 54 6.632 2.272 1.936 1.00 0.00 O ATOM 828 CB PHE A 54 5.556 3.345 -0.899 1.00 0.00 C ATOM 829 CG PHE A 54 5.226 1.880 -0.876 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.394 1.359 0.102 1.00 0.00 C ATOM 831 CD2 PHE A 54 5.748 1.024 -1.832 1.00 0.00 C ATOM 832 CE1 PHE A 54 4.088 0.012 0.126 1.00 0.00 C ATOM 833 CE2 PHE A 54 5.445 -0.325 -1.814 1.00 0.00 C ATOM 834 CZ PHE A 54 4.615 -0.831 -0.833 1.00 0.00 C ATOM 0 H PHE A 54 8.156 2.191 0.114 1.00 0.00 H new ATOM 0 HA PHE A 54 6.903 4.795 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.675 3.912 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.791 3.640 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.980 2.014 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.399 1.415 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.438 -0.381 0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.857 -0.982 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.378 -1.885 -0.816 1.00 0.00 H new ATOM 844 N PRO A 55 5.815 4.357 2.179 1.00 0.00 N ATOM 845 CA PRO A 55 5.431 4.186 3.583 1.00 0.00 C ATOM 846 C PRO A 55 4.250 3.235 3.749 1.00 0.00 C ATOM 847 O PRO A 55 3.480 3.018 2.814 1.00 0.00 O ATOM 848 CB PRO A 55 5.045 5.600 4.021 1.00 0.00 C ATOM 849 CG PRO A 55 4.638 6.288 2.763 1.00 0.00 C ATOM 850 CD PRO A 55 5.496 5.704 1.675 1.00 0.00 C ATOM 0 HA PRO A 55 6.235 3.747 4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.230 5.582 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.882 6.109 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.580 6.127 2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.787 7.365 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.966 5.662 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.397 6.296 1.512 1.00 0.00 H new ATOM 858 N ALA A 56 4.115 2.671 4.945 1.00 0.00 N ATOM 859 CA ALA A 56 3.026 1.746 5.234 1.00 0.00 C ATOM 860 C ALA A 56 1.740 2.496 5.562 1.00 0.00 C ATOM 861 O ALA A 56 0.644 2.038 5.243 1.00 0.00 O ATOM 862 CB ALA A 56 3.409 0.822 6.381 1.00 0.00 C ATOM 0 H ALA A 56 4.746 2.838 5.729 1.00 0.00 H new ATOM 0 HA ALA A 56 2.847 1.145 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.587 0.137 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.297 0.252 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.618 1.415 7.272 1.00 0.00 H new ATOM 868 N ASN A 57 1.882 3.652 6.203 1.00 0.00 N ATOM 869 CA ASN A 57 0.731 4.466 6.576 1.00 0.00 C ATOM 870 C ASN A 57 -0.057 4.893 5.341 1.00 0.00 C ATOM 871 O ASN A 57 -1.199 5.340 5.444 1.00 0.00 O ATOM 872 CB ASN A 57 1.185 5.701 7.357 1.00 0.00 C ATOM 873 CG ASN A 57 0.018 6.498 7.908 1.00 0.00 C ATOM 874 OD1 ASN A 57 -0.982 5.931 8.349 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.141 7.820 7.884 1.00 0.00 N ATOM 0 H ASN A 57 2.783 4.046 6.475 1.00 0.00 H new ATOM 0 HA ASN A 57 0.081 3.862 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.830 5.391 8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.783 6.340 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.612 8.409 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.988 8.247 7.509 1.00 0.00 H new ATOM 882 N TYR A 58 0.562 4.752 4.174 1.00 0.00 N ATOM 883 CA TYR A 58 -0.080 5.124 2.919 1.00 0.00 C ATOM 884 C TYR A 58 -0.709 3.907 2.247 1.00 0.00 C ATOM 885 O TYR A 58 -1.311 4.015 1.178 1.00 0.00 O ATOM 886 CB TYR A 58 0.934 5.774 1.976 1.00 0.00 C ATOM 887 CG TYR A 58 1.208 7.227 2.291 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.965 7.587 3.399 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.709 8.240 1.482 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.218 8.914 3.691 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.958 9.569 1.765 1.00 0.00 C ATOM 892 CZ TYR A 58 1.712 9.901 2.871 1.00 0.00 C ATOM 893 OH TYR A 58 1.961 11.224 3.158 1.00 0.00 O ATOM 0 H TYR A 58 1.507 4.383 4.071 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.870 5.841 3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.870 5.218 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.568 5.696 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.363 6.817 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.116 7.984 0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.809 9.177 4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.564 10.344 1.124 1.00 0.00 H new ATOM 0 HH TYR A 58 1.535 11.791 2.482 1.00 0.00 H new ATOM 903 N VAL A 59 -0.566 2.749 2.882 1.00 0.00 N ATOM 904 CA VAL A 59 -1.121 1.510 2.348 1.00 0.00 C ATOM 905 C VAL A 59 -1.729 0.658 3.456 1.00 0.00 C ATOM 906 O VAL A 59 -1.529 0.927 4.640 1.00 0.00 O ATOM 907 CB VAL A 59 -0.048 0.686 1.611 1.00 0.00 C ATOM 908 CG1 VAL A 59 0.636 1.530 0.546 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.969 0.133 2.598 1.00 0.00 C ATOM 0 H VAL A 59 -0.071 2.642 3.767 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.901 1.791 1.641 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.536 -0.154 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.391 0.931 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.104 1.873 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.112 2.391 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.720 -0.446 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.453 0.957 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.464 -0.509 3.320 1.00 0.00 H new ATOM 919 N GLU A 60 -2.471 -0.372 3.063 1.00 0.00 N ATOM 920 CA GLU A 60 -3.109 -1.265 4.024 1.00 0.00 C ATOM 921 C GLU A 60 -3.325 -2.650 3.420 1.00 0.00 C ATOM 922 O GLU A 60 -3.991 -2.795 2.395 1.00 0.00 O ATOM 923 CB GLU A 60 -4.447 -0.682 4.484 1.00 0.00 C ATOM 924 CG GLU A 60 -5.057 -1.419 5.665 1.00 0.00 C ATOM 925 CD GLU A 60 -4.130 -1.470 6.863 1.00 0.00 C ATOM 926 OE1 GLU A 60 -3.261 -0.580 6.978 1.00 0.00 O ATOM 927 OE2 GLU A 60 -4.273 -2.398 7.686 1.00 0.00 O ATOM 0 H GLU A 60 -2.645 -0.609 2.086 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.448 -1.363 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.305 0.364 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.149 -0.704 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.988 -0.930 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.310 -2.435 5.363 1.00 0.00 H new ATOM 934 N VAL A 61 -2.757 -3.664 4.064 1.00 0.00 N ATOM 935 CA VAL A 61 -2.886 -5.038 3.592 1.00 0.00 C ATOM 936 C VAL A 61 -4.344 -5.484 3.596 1.00 0.00 C ATOM 937 O VAL A 61 -4.984 -5.546 4.647 1.00 0.00 O ATOM 938 CB VAL A 61 -2.061 -6.009 4.457 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.258 -7.442 3.987 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.589 -5.627 4.429 1.00 0.00 C ATOM 0 H VAL A 61 -2.203 -3.560 4.914 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.504 -5.060 2.571 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.411 -5.939 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.667 -8.114 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.312 -7.709 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.936 -7.532 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.021 -6.323 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.222 -5.667 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.468 -4.616 4.818 1.00 0.00 H new