USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN :FLIP amide:sc= -0.954 X(o=-1.6,f=-1.2) USER MOD Set 1.2: A 45 ASN :FLIP amide:sc= -0.27 F(o=-2.2,f=-1.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -36:sc= -3.25! USER MOD Single : A 17 SER OG : rot -64:sc= 0.599 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -0.0288 (180deg=-0.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -149:sc= -0.0474 (180deg=-0.301) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= -2.2! (180deg=-5.45!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.358 F(o=-2.5!,f=-0.36) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.225 (180deg=-0.436) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.0841 (180deg=-0.483) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.753 0.319 -0.613 1.00 0.00 N ATOM 86 CA PRO A 8 1.569 1.526 0.254 1.00 0.00 C ATOM 87 C PRO A 8 0.955 2.723 -0.518 1.00 0.00 C ATOM 88 O PRO A 8 0.732 2.598 -1.705 1.00 0.00 O ATOM 89 CB PRO A 8 2.984 1.796 0.802 1.00 0.00 C ATOM 90 CG PRO A 8 3.904 1.167 -0.242 1.00 0.00 C ATOM 91 CD PRO A 8 3.178 -0.125 -0.617 1.00 0.00 C ATOM 0 HA PRO A 8 0.850 1.369 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.174 2.864 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.126 1.345 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.037 1.819 -1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.896 0.968 0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.487 -0.500 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.361 -0.922 0.104 1.00 0.00 H new ATOM 99 N PRO A 9 0.692 3.827 0.159 1.00 0.00 N ATOM 100 CA PRO A 9 0.179 5.104 -0.434 1.00 0.00 C ATOM 101 C PRO A 9 0.568 5.507 -1.878 1.00 0.00 C ATOM 102 O PRO A 9 1.336 4.857 -2.561 1.00 0.00 O ATOM 103 CB PRO A 9 0.587 6.169 0.629 1.00 0.00 C ATOM 104 CG PRO A 9 1.494 5.412 1.629 1.00 0.00 C ATOM 105 CD PRO A 9 0.877 4.018 1.625 1.00 0.00 C ATOM 0 HA PRO A 9 -0.890 4.990 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.117 7.003 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.289 6.584 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.535 5.398 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.474 5.864 2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.536 3.269 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.064 3.976 2.174 1.00 0.00 H new ATOM 113 N SER A 10 0.007 6.617 -2.283 1.00 0.00 N ATOM 114 CA SER A 10 0.236 7.184 -3.650 1.00 0.00 C ATOM 115 C SER A 10 1.356 8.234 -3.736 1.00 0.00 C ATOM 116 O SER A 10 2.138 8.196 -4.665 1.00 0.00 O ATOM 117 CB SER A 10 -1.078 7.817 -4.133 1.00 0.00 C ATOM 118 OG SER A 10 -2.014 6.747 -4.122 1.00 0.00 O ATOM 0 H SER A 10 -0.622 7.173 -1.704 1.00 0.00 H new ATOM 0 HA SER A 10 0.560 6.354 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.394 8.627 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.971 8.240 -5.132 1.00 0.00 H new ATOM 0 HG SER A 10 -2.888 7.074 -4.420 1.00 0.00 H new ATOM 124 N ALA A 11 1.369 9.108 -2.761 1.00 0.00 N ATOM 125 CA ALA A 11 2.337 10.251 -2.595 1.00 0.00 C ATOM 126 C ALA A 11 1.379 11.343 -2.122 1.00 0.00 C ATOM 127 O ALA A 11 1.564 12.025 -1.131 1.00 0.00 O ATOM 128 CB ALA A 11 2.955 10.704 -3.921 1.00 0.00 C ATOM 0 H ALA A 11 0.685 9.072 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 11 3.179 10.006 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.643 11.529 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.497 9.873 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.166 11.033 -4.597 1.00 0.00 H new ATOM 134 N PHE A 12 0.349 11.435 -2.918 1.00 0.00 N ATOM 135 CA PHE A 12 -0.769 12.387 -2.728 1.00 0.00 C ATOM 136 C PHE A 12 -1.359 11.935 -1.395 1.00 0.00 C ATOM 137 O PHE A 12 -1.669 12.739 -0.549 1.00 0.00 O ATOM 138 CB PHE A 12 -1.687 12.183 -3.970 1.00 0.00 C ATOM 139 CG PHE A 12 -3.169 12.623 -3.930 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.826 13.127 -2.826 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.888 12.460 -5.100 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.170 13.448 -2.893 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.226 12.784 -5.168 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.867 13.276 -4.060 1.00 0.00 C ATOM 0 H PHE A 12 0.239 10.846 -3.744 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.549 13.453 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.219 12.704 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.673 11.120 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.286 13.272 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.392 12.071 -5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.673 13.837 -2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.769 12.651 -6.092 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.916 13.527 -4.107 1.00 0.00 H new ATOM 154 N PHE A 13 -1.483 10.645 -1.224 1.00 0.00 N ATOM 155 CA PHE A 13 -2.062 10.124 0.046 1.00 0.00 C ATOM 156 C PHE A 13 -1.513 10.806 1.319 1.00 0.00 C ATOM 157 O PHE A 13 -2.274 11.150 2.199 1.00 0.00 O ATOM 158 CB PHE A 13 -1.808 8.615 0.151 1.00 0.00 C ATOM 159 CG PHE A 13 -3.099 8.004 0.735 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.152 7.689 -0.109 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.238 7.783 2.094 1.00 0.00 C ATOM 162 CE1 PHE A 13 -5.326 7.166 0.396 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.413 7.260 2.598 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.456 6.951 1.750 1.00 0.00 C ATOM 0 H PHE A 13 -1.210 9.935 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.127 10.350 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.583 8.189 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.953 8.407 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.054 7.854 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.424 8.020 2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.141 6.926 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.515 7.092 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.373 6.541 2.147 1.00 0.00 H new ATOM 174 N LEU A 14 -0.218 11.001 1.387 1.00 0.00 N ATOM 175 CA LEU A 14 0.383 11.647 2.592 1.00 0.00 C ATOM 176 C LEU A 14 -0.197 13.040 2.856 1.00 0.00 C ATOM 177 O LEU A 14 -0.744 13.320 3.907 1.00 0.00 O ATOM 178 CB LEU A 14 1.923 11.792 2.429 1.00 0.00 C ATOM 179 CG LEU A 14 2.746 10.461 2.283 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.282 9.325 3.215 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.825 9.967 0.830 1.00 0.00 C ATOM 0 H LEU A 14 0.447 10.740 0.659 1.00 0.00 H new ATOM 0 HA LEU A 14 0.145 10.998 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.116 12.409 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.307 12.336 3.292 1.00 0.00 H new ATOM 0 HG LEU A 14 3.750 10.736 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.902 8.444 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.374 9.645 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.241 9.082 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.405 9.045 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.819 9.779 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.307 10.726 0.213 1.00 0.00 H new ATOM 193 N PHE A 15 -0.071 13.886 1.872 1.00 0.00 N ATOM 194 CA PHE A 15 -0.591 15.269 2.025 1.00 0.00 C ATOM 195 C PHE A 15 -2.145 15.257 2.166 1.00 0.00 C ATOM 196 O PHE A 15 -2.697 16.037 2.919 1.00 0.00 O ATOM 197 CB PHE A 15 0.020 16.047 0.777 1.00 0.00 C ATOM 198 CG PHE A 15 -0.925 16.676 -0.238 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.605 15.863 -1.106 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.076 18.054 -0.314 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.425 16.402 -2.047 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.906 18.603 -1.266 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.581 17.772 -2.133 1.00 0.00 C ATOM 0 H PHE A 15 0.367 13.680 0.974 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.291 15.785 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.660 16.839 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.664 15.351 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.489 14.791 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.543 18.695 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.957 15.756 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.027 19.674 -1.332 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.235 18.193 -2.883 1.00 0.00 H new ATOM 213 N CYS A 16 -2.811 14.373 1.461 1.00 0.00 N ATOM 214 CA CYS A 16 -4.306 14.271 1.531 1.00 0.00 C ATOM 215 C CYS A 16 -4.778 13.905 2.936 1.00 0.00 C ATOM 216 O CYS A 16 -5.702 14.511 3.429 1.00 0.00 O ATOM 217 CB CYS A 16 -4.825 13.197 0.584 1.00 0.00 C ATOM 218 SG CYS A 16 -4.891 11.465 1.100 1.00 0.00 S ATOM 0 H CYS A 16 -2.373 13.704 0.827 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.693 15.250 1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.836 13.485 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.213 13.240 -0.317 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.868 11.198 1.857 1.00 0.00 H new ATOM 223 N SER A 17 -4.163 12.928 3.556 1.00 0.00 N ATOM 224 CA SER A 17 -4.595 12.539 4.933 1.00 0.00 C ATOM 225 C SER A 17 -4.548 13.756 5.868 1.00 0.00 C ATOM 226 O SER A 17 -5.463 14.004 6.629 1.00 0.00 O ATOM 227 CB SER A 17 -3.670 11.418 5.444 1.00 0.00 C ATOM 228 OG SER A 17 -2.360 11.965 5.486 1.00 0.00 O ATOM 0 H SER A 17 -3.388 12.388 3.172 1.00 0.00 H new ATOM 0 HA SER A 17 -5.622 12.176 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.981 11.079 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.708 10.552 4.783 1.00 0.00 H new ATOM 0 HG SER A 17 -2.070 12.189 4.577 1.00 0.00 H new ATOM 234 N GLU A 18 -3.458 14.471 5.756 1.00 0.00 N ATOM 235 CA GLU A 18 -3.235 15.694 6.580 1.00 0.00 C ATOM 236 C GLU A 18 -4.157 16.863 6.149 1.00 0.00 C ATOM 237 O GLU A 18 -4.257 17.858 6.840 1.00 0.00 O ATOM 238 CB GLU A 18 -1.746 16.052 6.433 1.00 0.00 C ATOM 239 CG GLU A 18 -1.370 17.225 7.368 1.00 0.00 C ATOM 240 CD GLU A 18 0.159 17.415 7.374 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.816 16.520 7.885 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.586 18.443 6.870 1.00 0.00 O ATOM 0 H GLU A 18 -2.697 14.252 5.113 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.487 15.506 7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.133 15.182 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.532 16.322 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.859 18.140 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.725 17.025 8.379 1.00 0.00 H new ATOM 249 N TYR A 19 -4.807 16.705 5.021 1.00 0.00 N ATOM 250 CA TYR A 19 -5.741 17.752 4.477 1.00 0.00 C ATOM 251 C TYR A 19 -7.201 17.426 4.829 1.00 0.00 C ATOM 252 O TYR A 19 -7.973 18.319 5.110 1.00 0.00 O ATOM 253 CB TYR A 19 -5.613 17.816 2.936 1.00 0.00 C ATOM 254 CG TYR A 19 -4.496 18.758 2.461 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.265 18.822 3.085 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.724 19.557 1.357 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.287 19.668 2.612 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.746 20.404 0.885 1.00 0.00 C ATOM 259 CZ TYR A 19 -2.518 20.468 1.510 1.00 0.00 C ATOM 260 OH TYR A 19 -1.536 21.315 1.036 1.00 0.00 O ATOM 0 H TYR A 19 -4.729 15.873 4.437 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.469 18.708 4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.423 16.814 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.562 18.145 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.069 18.205 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.681 19.517 0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.329 19.706 3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.942 21.021 0.021 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.872 21.801 0.254 1.00 0.00 H new ATOM 270 N ARG A 20 -7.508 16.153 4.783 1.00 0.00 N ATOM 271 CA ARG A 20 -8.852 15.569 5.076 1.00 0.00 C ATOM 272 C ARG A 20 -9.776 16.557 5.813 1.00 0.00 C ATOM 273 O ARG A 20 -10.727 17.030 5.229 1.00 0.00 O ATOM 274 CB ARG A 20 -8.649 14.265 5.919 1.00 0.00 C ATOM 275 CG ARG A 20 -9.847 13.301 5.767 1.00 0.00 C ATOM 276 CD ARG A 20 -9.633 12.393 4.538 1.00 0.00 C ATOM 277 NE ARG A 20 -8.388 11.591 4.773 1.00 0.00 N ATOM 278 CZ ARG A 20 -8.431 10.285 4.814 1.00 0.00 C ATOM 279 NH1 ARG A 20 -8.930 9.703 5.871 1.00 0.00 N ATOM 280 NH2 ARG A 20 -7.971 9.609 3.801 1.00 0.00 N ATOM 0 H ARG A 20 -6.820 15.442 4.533 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.346 15.340 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.735 13.764 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.521 14.526 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.953 12.693 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.771 13.869 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.490 11.735 4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.537 12.992 3.632 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.497 12.070 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.278 10.266 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.972 8.685 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.586 10.099 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.996 8.589 3.815 1.00 0.00 H new ATOM 294 N PRO A 21 -9.480 16.877 7.053 1.00 0.00 N ATOM 295 CA PRO A 21 -10.477 17.409 8.009 1.00 0.00 C ATOM 296 C PRO A 21 -10.499 18.949 7.955 1.00 0.00 C ATOM 297 O PRO A 21 -11.326 19.598 8.569 1.00 0.00 O ATOM 298 CB PRO A 21 -10.014 16.845 9.356 1.00 0.00 C ATOM 299 CG PRO A 21 -8.627 16.164 9.077 1.00 0.00 C ATOM 300 CD PRO A 21 -8.165 16.772 7.748 1.00 0.00 C ATOM 0 HA PRO A 21 -11.506 17.118 7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.919 17.636 10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.733 16.124 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.915 16.369 9.877 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.723 15.081 9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.681 17.740 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.461 16.131 7.217 1.00 0.00 H new ATOM 308 N LYS A 22 -9.577 19.467 7.188 1.00 0.00 N ATOM 309 CA LYS A 22 -9.413 20.928 7.001 1.00 0.00 C ATOM 310 C LYS A 22 -10.233 21.372 5.794 1.00 0.00 C ATOM 311 O LYS A 22 -10.779 22.460 5.815 1.00 0.00 O ATOM 312 CB LYS A 22 -7.911 21.232 6.768 1.00 0.00 C ATOM 313 CG LYS A 22 -7.619 22.731 7.016 1.00 0.00 C ATOM 314 CD LYS A 22 -7.568 23.008 8.548 1.00 0.00 C ATOM 315 CE LYS A 22 -6.120 22.862 9.068 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.292 24.004 8.580 1.00 0.00 N ATOM 0 H LYS A 22 -8.905 18.907 6.664 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.760 21.467 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.302 20.621 7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.633 20.965 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.671 23.008 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.391 23.344 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.937 24.012 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.223 22.312 9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.116 22.837 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.694 21.919 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.482 24.143 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.946 23.797 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.870 24.869 8.561 1.00 0.00 H new ATOM 330 N ILE A 23 -10.335 20.540 4.781 1.00 0.00 N ATOM 331 CA ILE A 23 -11.131 20.982 3.596 1.00 0.00 C ATOM 332 C ILE A 23 -12.536 20.546 3.910 1.00 0.00 C ATOM 333 O ILE A 23 -13.477 21.267 3.679 1.00 0.00 O ATOM 334 CB ILE A 23 -10.696 20.301 2.249 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.432 19.412 2.395 1.00 0.00 C ATOM 336 CG2 ILE A 23 -10.455 21.450 1.241 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.038 18.841 1.014 1.00 0.00 C ATOM 0 H ILE A 23 -9.919 19.611 4.724 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.000 22.053 3.444 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.478 19.621 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.609 19.997 2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.626 18.599 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.149 21.034 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.375 22.020 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.671 22.107 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.150 18.217 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.859 18.241 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.826 19.661 0.328 1.00 0.00 H new ATOM 349 N LYS A 24 -12.617 19.359 4.435 1.00 0.00 N ATOM 350 CA LYS A 24 -13.912 18.754 4.819 1.00 0.00 C ATOM 351 C LYS A 24 -14.593 19.679 5.840 1.00 0.00 C ATOM 352 O LYS A 24 -15.801 19.812 5.857 1.00 0.00 O ATOM 353 CB LYS A 24 -13.604 17.399 5.419 1.00 0.00 C ATOM 354 CG LYS A 24 -14.934 16.642 5.707 1.00 0.00 C ATOM 355 CD LYS A 24 -14.710 15.323 6.488 1.00 0.00 C ATOM 356 CE LYS A 24 -14.198 15.628 7.910 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.201 14.389 8.743 1.00 0.00 N ATOM 0 H LYS A 24 -11.808 18.765 4.619 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.585 18.632 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.984 16.819 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.035 17.519 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.600 17.289 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.434 16.421 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.642 14.761 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.990 14.697 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.189 16.037 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.827 16.387 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.853 14.612 9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.169 14.015 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.582 13.676 8.307 1.00 0.00 H new ATOM 371 N GLY A 25 -13.766 20.289 6.658 1.00 0.00 N ATOM 372 CA GLY A 25 -14.269 21.215 7.707 1.00 0.00 C ATOM 373 C GLY A 25 -14.887 22.472 7.094 1.00 0.00 C ATOM 374 O GLY A 25 -15.964 22.891 7.473 1.00 0.00 O ATOM 0 H GLY A 25 -12.752 20.179 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.012 20.704 8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.450 21.496 8.369 1.00 0.00 H new ATOM 378 N GLU A 26 -14.166 23.032 6.160 1.00 0.00 N ATOM 379 CA GLU A 26 -14.606 24.268 5.449 1.00 0.00 C ATOM 380 C GLU A 26 -15.800 24.020 4.518 1.00 0.00 C ATOM 381 O GLU A 26 -16.753 24.775 4.490 1.00 0.00 O ATOM 382 CB GLU A 26 -13.409 24.781 4.647 1.00 0.00 C ATOM 383 CG GLU A 26 -12.252 25.092 5.624 1.00 0.00 C ATOM 384 CD GLU A 26 -12.563 26.360 6.439 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.646 27.406 5.816 1.00 0.00 O ATOM 386 OE2 GLU A 26 -12.702 26.210 7.641 1.00 0.00 O ATOM 0 H GLU A 26 -13.263 22.672 5.851 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.941 25.001 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.096 24.035 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.684 25.677 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.099 24.248 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.325 25.228 5.068 1.00 0.00 H new ATOM 393 N HIS A 27 -15.688 22.946 3.784 1.00 0.00 N ATOM 394 CA HIS A 27 -16.706 22.493 2.803 1.00 0.00 C ATOM 395 C HIS A 27 -17.211 21.093 3.204 1.00 0.00 C ATOM 396 O HIS A 27 -16.806 20.101 2.628 1.00 0.00 O ATOM 397 CB HIS A 27 -16.038 22.465 1.409 1.00 0.00 C ATOM 398 CG HIS A 27 -15.338 23.808 1.188 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.939 24.940 1.026 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.990 24.117 1.121 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.060 25.878 0.872 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.835 25.412 0.923 1.00 0.00 N ATOM 0 H HIS A 27 -14.877 22.329 3.833 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.563 23.167 2.782 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.320 21.647 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.784 22.293 0.633 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.185 23.404 1.217 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.306 26.919 0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.962 25.932 0.831 1.00 0.00 H new ATOM 410 N PRO A 28 -18.083 21.046 4.187 1.00 0.00 N ATOM 411 CA PRO A 28 -18.842 19.814 4.548 1.00 0.00 C ATOM 412 C PRO A 28 -19.969 19.556 3.521 1.00 0.00 C ATOM 413 O PRO A 28 -21.103 19.287 3.867 1.00 0.00 O ATOM 414 CB PRO A 28 -19.329 20.120 5.965 1.00 0.00 C ATOM 415 CG PRO A 28 -19.638 21.639 5.873 1.00 0.00 C ATOM 416 CD PRO A 28 -18.432 22.189 5.077 1.00 0.00 C ATOM 0 HA PRO A 28 -18.263 18.890 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.212 19.538 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.568 19.902 6.715 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.581 21.829 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.714 22.096 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.694 23.081 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.604 22.461 5.732 1.00 0.00 H new ATOM 424 N GLY A 29 -19.578 19.658 2.277 1.00 0.00 N ATOM 425 CA GLY A 29 -20.466 19.455 1.101 1.00 0.00 C ATOM 426 C GLY A 29 -19.791 18.466 0.145 1.00 0.00 C ATOM 427 O GLY A 29 -20.447 17.877 -0.692 1.00 0.00 O ATOM 0 H GLY A 29 -18.618 19.888 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.435 19.071 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.649 20.404 0.597 1.00 0.00 H new ATOM 431 N LEU A 30 -18.494 18.315 0.296 1.00 0.00 N ATOM 432 CA LEU A 30 -17.717 17.388 -0.570 1.00 0.00 C ATOM 433 C LEU A 30 -17.796 15.960 -0.003 1.00 0.00 C ATOM 434 O LEU A 30 -18.111 15.752 1.154 1.00 0.00 O ATOM 435 CB LEU A 30 -16.229 17.823 -0.606 1.00 0.00 C ATOM 436 CG LEU A 30 -16.022 19.309 -0.969 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.509 19.601 -1.082 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.733 19.723 -2.276 1.00 0.00 C ATOM 0 H LEU A 30 -17.939 18.806 0.996 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.136 17.415 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.781 17.631 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.697 17.205 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.471 19.899 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.359 20.650 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.025 19.388 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.074 18.972 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.547 20.779 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.349 19.127 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.805 19.556 -2.175 1.00 0.00 H new ATOM 450 N SER A 31 -17.494 15.034 -0.871 1.00 0.00 N ATOM 451 CA SER A 31 -17.495 13.581 -0.548 1.00 0.00 C ATOM 452 C SER A 31 -16.059 13.102 -0.734 1.00 0.00 C ATOM 453 O SER A 31 -15.208 13.861 -1.141 1.00 0.00 O ATOM 454 CB SER A 31 -18.420 12.833 -1.512 1.00 0.00 C ATOM 455 OG SER A 31 -19.682 13.466 -1.348 1.00 0.00 O ATOM 0 H SER A 31 -17.235 15.238 -1.836 1.00 0.00 H new ATOM 0 HA SER A 31 -17.849 13.399 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.068 12.908 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.473 11.772 -1.270 1.00 0.00 H new ATOM 0 HG SER A 31 -20.340 13.043 -1.939 1.00 0.00 H new ATOM 461 N ILE A 32 -15.814 11.855 -0.441 1.00 0.00 N ATOM 462 CA ILE A 32 -14.437 11.285 -0.592 1.00 0.00 C ATOM 463 C ILE A 32 -13.945 11.334 -2.048 1.00 0.00 C ATOM 464 O ILE A 32 -12.797 11.056 -2.329 1.00 0.00 O ATOM 465 CB ILE A 32 -14.490 9.834 -0.070 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.107 9.122 -0.124 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.506 8.993 -0.896 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.020 9.899 0.654 1.00 0.00 C ATOM 0 H ILE A 32 -16.514 11.196 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.724 11.879 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.801 9.900 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.201 8.118 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.798 9.010 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.530 7.973 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.499 9.435 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.202 8.981 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.073 9.364 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.906 10.894 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.314 9.988 1.700 1.00 0.00 H new ATOM 480 N GLY A 33 -14.845 11.688 -2.916 1.00 0.00 N ATOM 481 CA GLY A 33 -14.514 11.781 -4.377 1.00 0.00 C ATOM 482 C GLY A 33 -14.428 13.232 -4.860 1.00 0.00 C ATOM 483 O GLY A 33 -14.105 13.487 -6.005 1.00 0.00 O ATOM 0 H GLY A 33 -15.810 11.921 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.564 11.280 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.273 11.252 -4.954 1.00 0.00 H new ATOM 487 N ASP A 34 -14.709 14.137 -3.960 1.00 0.00 N ATOM 488 CA ASP A 34 -14.681 15.597 -4.254 1.00 0.00 C ATOM 489 C ASP A 34 -13.482 16.148 -3.515 1.00 0.00 C ATOM 490 O ASP A 34 -12.690 16.878 -4.067 1.00 0.00 O ATOM 491 CB ASP A 34 -15.972 16.231 -3.740 1.00 0.00 C ATOM 492 CG ASP A 34 -17.201 15.695 -4.493 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.457 14.510 -4.355 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.818 16.501 -5.166 1.00 0.00 O ATOM 0 H ASP A 34 -14.966 13.913 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.607 15.806 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.079 16.028 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.918 17.314 -3.854 1.00 0.00 H new ATOM 499 N VAL A 35 -13.387 15.773 -2.273 1.00 0.00 N ATOM 500 CA VAL A 35 -12.257 16.211 -1.405 1.00 0.00 C ATOM 501 C VAL A 35 -10.996 15.712 -2.128 1.00 0.00 C ATOM 502 O VAL A 35 -9.974 16.367 -2.166 1.00 0.00 O ATOM 503 CB VAL A 35 -12.436 15.538 -0.015 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.239 15.821 0.900 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.697 16.090 0.677 1.00 0.00 C ATOM 0 H VAL A 35 -14.062 15.165 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.203 17.287 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.521 14.464 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.395 15.337 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.330 15.431 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.139 16.897 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.816 15.614 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.597 17.167 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.571 15.880 0.061 1.00 0.00 H new ATOM 515 N ALA A 36 -11.173 14.548 -2.696 1.00 0.00 N ATOM 516 CA ALA A 36 -10.110 13.848 -3.446 1.00 0.00 C ATOM 517 C ALA A 36 -9.913 14.437 -4.836 1.00 0.00 C ATOM 518 O ALA A 36 -8.785 14.676 -5.209 1.00 0.00 O ATOM 519 CB ALA A 36 -10.500 12.387 -3.546 1.00 0.00 C ATOM 0 H ALA A 36 -12.056 14.039 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.163 13.964 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.733 11.842 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.596 11.967 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.452 12.300 -4.069 1.00 0.00 H new ATOM 525 N LYS A 37 -10.967 14.660 -5.583 1.00 0.00 N ATOM 526 CA LYS A 37 -10.741 15.244 -6.939 1.00 0.00 C ATOM 527 C LYS A 37 -10.260 16.698 -6.876 1.00 0.00 C ATOM 528 O LYS A 37 -9.563 17.135 -7.767 1.00 0.00 O ATOM 529 CB LYS A 37 -12.044 15.182 -7.768 1.00 0.00 C ATOM 530 CG LYS A 37 -12.101 13.814 -8.494 1.00 0.00 C ATOM 531 CD LYS A 37 -13.312 13.781 -9.452 1.00 0.00 C ATOM 532 CE LYS A 37 -13.206 12.537 -10.359 1.00 0.00 C ATOM 533 NZ LYS A 37 -14.365 12.477 -11.293 1.00 0.00 N ATOM 0 H LYS A 37 -11.936 14.472 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.960 14.650 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.912 15.303 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.071 15.996 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.179 13.649 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.180 13.008 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.241 13.753 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.337 14.687 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.275 12.570 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.176 11.635 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.281 11.635 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.249 12.424 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.376 13.330 -11.888 1.00 0.00 H new ATOM 547 N LYS A 38 -10.619 17.416 -5.839 1.00 0.00 N ATOM 548 CA LYS A 38 -10.186 18.831 -5.725 1.00 0.00 C ATOM 549 C LYS A 38 -8.749 18.874 -5.214 1.00 0.00 C ATOM 550 O LYS A 38 -7.897 19.456 -5.855 1.00 0.00 O ATOM 551 CB LYS A 38 -11.137 19.561 -4.757 1.00 0.00 C ATOM 552 CG LYS A 38 -10.605 20.993 -4.468 1.00 0.00 C ATOM 553 CD LYS A 38 -11.687 21.863 -3.794 1.00 0.00 C ATOM 554 CE LYS A 38 -12.748 22.265 -4.839 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.778 23.137 -4.211 1.00 0.00 N ATOM 0 H LYS A 38 -11.195 17.076 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.222 19.325 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.137 19.616 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.222 19.001 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.728 20.935 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.286 21.461 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.155 21.313 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.234 22.754 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.273 22.789 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.218 21.373 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.488 23.403 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.241 22.623 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.325 23.995 -3.837 1.00 0.00 H new ATOM 569 N LEU A 39 -8.491 18.254 -4.089 1.00 0.00 N ATOM 570 CA LEU A 39 -7.096 18.289 -3.569 1.00 0.00 C ATOM 571 C LEU A 39 -6.213 17.456 -4.510 1.00 0.00 C ATOM 572 O LEU A 39 -5.048 17.752 -4.660 1.00 0.00 O ATOM 573 CB LEU A 39 -7.188 17.788 -2.089 1.00 0.00 C ATOM 574 CG LEU A 39 -6.766 16.352 -1.826 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.252 16.369 -1.689 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.343 15.873 -0.477 1.00 0.00 C ATOM 0 H LEU A 39 -9.167 17.740 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.629 19.274 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.574 18.442 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.218 17.907 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.114 15.699 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.893 15.358 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.807 16.744 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.969 17.017 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.036 14.843 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.970 16.510 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.431 15.928 -0.507 1.00 0.00 H new ATOM 588 N GLY A 40 -6.761 16.446 -5.134 1.00 0.00 N ATOM 589 CA GLY A 40 -5.929 15.619 -6.069 1.00 0.00 C ATOM 590 C GLY A 40 -5.384 16.525 -7.170 1.00 0.00 C ATOM 591 O GLY A 40 -4.239 16.416 -7.553 1.00 0.00 O ATOM 0 H GLY A 40 -7.735 16.158 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.109 15.147 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.529 14.818 -6.501 1.00 0.00 H new ATOM 595 N GLU A 41 -6.216 17.409 -7.659 1.00 0.00 N ATOM 596 CA GLU A 41 -5.744 18.328 -8.729 1.00 0.00 C ATOM 597 C GLU A 41 -4.612 19.155 -8.144 1.00 0.00 C ATOM 598 O GLU A 41 -3.557 19.254 -8.735 1.00 0.00 O ATOM 599 CB GLU A 41 -6.854 19.276 -9.162 1.00 0.00 C ATOM 600 CG GLU A 41 -7.888 18.561 -10.052 1.00 0.00 C ATOM 601 CD GLU A 41 -7.229 18.081 -11.360 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.734 18.937 -12.078 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.256 16.880 -11.570 1.00 0.00 O ATOM 0 H GLU A 41 -7.186 17.531 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.426 17.748 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.350 19.684 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.424 20.118 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.312 17.711 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.712 19.238 -10.279 1.00 0.00 H new ATOM 610 N MET A 42 -4.871 19.716 -6.984 1.00 0.00 N ATOM 611 CA MET A 42 -3.844 20.560 -6.302 1.00 0.00 C ATOM 612 C MET A 42 -2.520 19.815 -6.323 1.00 0.00 C ATOM 613 O MET A 42 -1.527 20.333 -6.780 1.00 0.00 O ATOM 614 CB MET A 42 -4.286 20.812 -4.885 1.00 0.00 C ATOM 615 CG MET A 42 -5.613 21.611 -4.902 1.00 0.00 C ATOM 616 SD MET A 42 -5.539 23.345 -5.419 1.00 0.00 S ATOM 617 CE MET A 42 -6.111 23.160 -7.128 1.00 0.00 C ATOM 0 H MET A 42 -5.754 19.623 -6.481 1.00 0.00 H new ATOM 0 HA MET A 42 -3.726 21.517 -6.810 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.423 19.867 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.519 21.368 -4.345 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.309 21.093 -5.562 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.039 21.577 -3.899 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.645 23.922 -7.752 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.838 22.172 -7.498 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.194 23.275 -7.163 1.00 0.00 H new ATOM 627 N TRP A 43 -2.573 18.616 -5.816 1.00 0.00 N ATOM 628 CA TRP A 43 -1.408 17.703 -5.747 1.00 0.00 C ATOM 629 C TRP A 43 -0.688 17.677 -7.080 1.00 0.00 C ATOM 630 O TRP A 43 0.502 17.918 -7.149 1.00 0.00 O ATOM 631 CB TRP A 43 -1.915 16.317 -5.402 1.00 0.00 C ATOM 632 CG TRP A 43 -0.760 15.345 -5.520 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.590 14.483 -6.547 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.242 15.216 -4.641 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.529 13.875 -6.226 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.111 14.241 -5.096 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.496 15.878 -3.447 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.239 13.917 -4.359 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.623 15.558 -2.697 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.498 14.572 -3.156 1.00 0.00 C ATOM 0 H TRP A 43 -3.427 18.216 -5.427 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.706 18.046 -4.987 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.322 16.302 -4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.723 16.030 -6.075 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.217 14.332 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.932 13.152 -6.822 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.183 16.643 -3.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.918 13.157 -4.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.820 16.069 -1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.375 14.317 -2.580 1.00 0.00 H new ATOM 651 N ASN A 44 -1.473 17.385 -8.089 1.00 0.00 N ATOM 652 CA ASN A 44 -0.921 17.310 -9.475 1.00 0.00 C ATOM 653 C ASN A 44 -0.056 18.552 -9.744 1.00 0.00 C ATOM 654 O ASN A 44 0.960 18.460 -10.405 1.00 0.00 O ATOM 655 CB ASN A 44 -2.149 17.142 -10.470 1.00 0.00 C ATOM 656 CG ASN A 44 -2.390 18.293 -11.459 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.554 18.890 -11.453 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.536 18.655 -12.246 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.472 17.196 -8.011 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.262 16.454 -9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.002 16.226 -11.042 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.053 17.006 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.626 18.195 -12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.730 19.418 -12.894 1.00 0.00 H new ATOM 665 N ASN A 45 -0.502 19.669 -9.216 1.00 0.00 N ATOM 666 CA ASN A 45 0.223 20.974 -9.370 1.00 0.00 C ATOM 667 C ASN A 45 0.584 21.628 -7.997 1.00 0.00 C ATOM 668 O ASN A 45 0.488 22.834 -7.860 1.00 0.00 O ATOM 669 CB ASN A 45 -0.698 21.894 -10.205 1.00 0.00 C ATOM 670 CG ASN A 45 -2.039 22.097 -9.467 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.121 21.536 -9.926 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -2.114 22.768 -8.458 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.361 19.732 -8.670 1.00 0.00 H new ATOM 0 HA ASN A 45 1.179 20.812 -9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.214 22.856 -10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.875 21.454 -11.186 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.279 23.217 -8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.012 22.883 -7.988 1.00 0.00 H new ATOM 679 N THR A 46 0.998 20.846 -7.018 1.00 0.00 N ATOM 680 CA THR A 46 1.350 21.436 -5.675 1.00 0.00 C ATOM 681 C THR A 46 2.531 22.407 -5.818 1.00 0.00 C ATOM 682 O THR A 46 2.521 23.503 -5.292 1.00 0.00 O ATOM 683 CB THR A 46 1.696 20.268 -4.651 1.00 0.00 C ATOM 684 OG1 THR A 46 2.098 20.932 -3.459 1.00 0.00 O ATOM 685 CG2 THR A 46 2.913 19.373 -4.998 1.00 0.00 C ATOM 0 H THR A 46 1.107 19.834 -7.089 1.00 0.00 H new ATOM 0 HA THR A 46 0.497 21.994 -5.290 1.00 0.00 H new ATOM 0 HB THR A 46 0.817 19.624 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.327 20.268 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.042 18.618 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.743 18.884 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.811 19.988 -5.059 1.00 0.00 H new ATOM 693 N ALA A 47 3.501 21.929 -6.542 1.00 0.00 N ATOM 694 CA ALA A 47 4.763 22.665 -6.838 1.00 0.00 C ATOM 695 C ALA A 47 5.541 21.740 -7.761 1.00 0.00 C ATOM 696 O ALA A 47 6.007 22.131 -8.812 1.00 0.00 O ATOM 697 CB ALA A 47 5.584 22.897 -5.559 1.00 0.00 C ATOM 0 H ALA A 47 3.467 21.002 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 47 4.558 23.643 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.499 23.436 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.998 23.483 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.839 21.937 -5.111 1.00 0.00 H new ATOM 703 N ALA A 48 5.614 20.534 -7.256 1.00 0.00 N ATOM 704 CA ALA A 48 6.298 19.342 -7.841 1.00 0.00 C ATOM 705 C ALA A 48 7.489 19.169 -6.909 1.00 0.00 C ATOM 706 O ALA A 48 7.902 18.072 -6.583 1.00 0.00 O ATOM 707 CB ALA A 48 6.818 19.566 -9.287 1.00 0.00 C ATOM 0 H ALA A 48 5.175 20.313 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 48 5.621 18.491 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.302 18.657 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.981 19.812 -9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.536 20.386 -9.293 1.00 0.00 H new ATOM 713 N ASP A 49 7.988 20.310 -6.496 1.00 0.00 N ATOM 714 CA ASP A 49 9.154 20.375 -5.578 1.00 0.00 C ATOM 715 C ASP A 49 8.634 20.290 -4.130 1.00 0.00 C ATOM 716 O ASP A 49 9.386 20.431 -3.184 1.00 0.00 O ATOM 717 CB ASP A 49 9.878 21.703 -5.834 1.00 0.00 C ATOM 718 CG ASP A 49 10.136 21.850 -7.346 1.00 0.00 C ATOM 719 OD1 ASP A 49 10.941 21.080 -7.842 1.00 0.00 O ATOM 720 OD2 ASP A 49 9.505 22.724 -7.924 1.00 0.00 O ATOM 0 H ASP A 49 7.620 21.221 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 49 9.851 19.553 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.276 22.536 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.820 21.730 -5.287 1.00 0.00 H new ATOM 725 N ASP A 50 7.346 20.059 -4.021 1.00 0.00 N ATOM 726 CA ASP A 50 6.646 19.933 -2.707 1.00 0.00 C ATOM 727 C ASP A 50 6.054 18.523 -2.630 1.00 0.00 C ATOM 728 O ASP A 50 5.518 18.136 -1.611 1.00 0.00 O ATOM 729 CB ASP A 50 5.532 20.996 -2.606 1.00 0.00 C ATOM 730 CG ASP A 50 6.144 22.378 -2.290 1.00 0.00 C ATOM 731 OD1 ASP A 50 7.066 22.770 -2.991 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.651 22.978 -1.351 1.00 0.00 O ATOM 0 H ASP A 50 6.729 19.949 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 50 7.339 20.093 -1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.976 21.041 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.822 20.717 -1.827 1.00 0.00 H new ATOM 737 N LYS A 51 6.169 17.792 -3.717 1.00 0.00 N ATOM 738 CA LYS A 51 5.634 16.396 -3.736 1.00 0.00 C ATOM 739 C LYS A 51 6.822 15.597 -3.254 1.00 0.00 C ATOM 740 O LYS A 51 6.683 14.833 -2.329 1.00 0.00 O ATOM 741 CB LYS A 51 5.309 15.830 -5.128 1.00 0.00 C ATOM 742 CG LYS A 51 4.183 16.559 -5.824 1.00 0.00 C ATOM 743 CD LYS A 51 3.684 15.639 -6.960 1.00 0.00 C ATOM 744 CE LYS A 51 3.287 16.438 -8.183 1.00 0.00 C ATOM 745 NZ LYS A 51 4.510 16.835 -8.941 1.00 0.00 N ATOM 0 H LYS A 51 6.607 18.102 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 51 4.706 16.360 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.203 15.879 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.045 14.777 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.377 16.781 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.529 17.512 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.467 14.929 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.831 15.057 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.629 15.846 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.728 17.325 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.446 17.840 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.351 16.685 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.587 16.258 -9.803 1.00 0.00 H new ATOM 759 N GLN A 52 7.940 15.798 -3.914 1.00 0.00 N ATOM 760 CA GLN A 52 9.227 15.109 -3.587 1.00 0.00 C ATOM 761 C GLN A 52 9.319 14.624 -2.120 1.00 0.00 C ATOM 762 O GLN A 52 9.514 13.448 -1.930 1.00 0.00 O ATOM 763 CB GLN A 52 10.389 16.096 -3.928 1.00 0.00 C ATOM 764 CG GLN A 52 11.548 15.352 -4.633 1.00 0.00 C ATOM 765 CD GLN A 52 11.140 14.820 -6.027 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.907 14.931 -6.452 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 11.957 14.284 -6.750 1.00 0.00 N flip ATOM 0 H GLN A 52 8.012 16.442 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 52 9.294 14.199 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.018 16.894 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.754 16.566 -3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.399 16.025 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.875 14.520 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.924 14.186 -6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.675 13.933 -7.665 1.00 0.00 H new ATOM 776 N PRO A 53 9.176 15.477 -1.126 1.00 0.00 N ATOM 777 CA PRO A 53 9.115 15.059 0.311 1.00 0.00 C ATOM 778 C PRO A 53 8.173 13.872 0.598 1.00 0.00 C ATOM 779 O PRO A 53 8.567 12.876 1.176 1.00 0.00 O ATOM 780 CB PRO A 53 8.709 16.342 1.057 1.00 0.00 C ATOM 781 CG PRO A 53 8.081 17.217 -0.054 1.00 0.00 C ATOM 782 CD PRO A 53 9.023 16.956 -1.234 1.00 0.00 C ATOM 0 HA PRO A 53 10.075 14.664 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.997 16.134 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.569 16.830 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.056 16.921 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.055 18.271 0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.591 17.261 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.973 17.481 -1.132 1.00 0.00 H new ATOM 790 N TYR A 54 6.949 14.032 0.168 1.00 0.00 N ATOM 791 CA TYR A 54 5.901 12.979 0.367 1.00 0.00 C ATOM 792 C TYR A 54 6.226 11.776 -0.510 1.00 0.00 C ATOM 793 O TYR A 54 6.221 10.644 -0.071 1.00 0.00 O ATOM 794 CB TYR A 54 4.527 13.530 -0.034 1.00 0.00 C ATOM 795 CG TYR A 54 4.063 14.648 0.910 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.892 14.406 2.261 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.799 15.911 0.421 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.465 15.406 3.103 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.370 16.913 1.263 1.00 0.00 C ATOM 800 CZ TYR A 54 3.201 16.670 2.614 1.00 0.00 C ATOM 801 OH TYR A 54 2.771 17.673 3.456 1.00 0.00 O ATOM 0 H TYR A 54 6.622 14.864 -0.323 1.00 0.00 H new ATOM 0 HA TYR A 54 5.883 12.684 1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.572 13.911 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.795 12.722 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.096 13.423 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.930 16.116 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.335 15.201 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.164 17.896 0.865 1.00 0.00 H new ATOM 0 HH TYR A 54 2.635 18.496 2.942 1.00 0.00 H new ATOM 811 N GLU A 55 6.491 12.072 -1.750 1.00 0.00 N ATOM 812 CA GLU A 55 6.835 11.016 -2.745 1.00 0.00 C ATOM 813 C GLU A 55 7.942 10.091 -2.206 1.00 0.00 C ATOM 814 O GLU A 55 7.779 8.890 -2.131 1.00 0.00 O ATOM 815 CB GLU A 55 7.261 11.742 -4.037 1.00 0.00 C ATOM 816 CG GLU A 55 6.352 11.281 -5.189 1.00 0.00 C ATOM 817 CD GLU A 55 6.748 11.992 -6.497 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.612 13.208 -6.528 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.162 11.282 -7.396 1.00 0.00 O ATOM 0 H GLU A 55 6.484 13.021 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 55 5.981 10.370 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.185 12.821 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.303 11.521 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.432 10.201 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.311 11.498 -4.950 1.00 0.00 H new ATOM 826 N LYS A 56 9.049 10.684 -1.845 1.00 0.00 N ATOM 827 CA LYS A 56 10.210 9.929 -1.296 1.00 0.00 C ATOM 828 C LYS A 56 9.760 9.051 -0.118 1.00 0.00 C ATOM 829 O LYS A 56 10.298 7.982 0.098 1.00 0.00 O ATOM 830 CB LYS A 56 11.287 10.933 -0.825 1.00 0.00 C ATOM 831 CG LYS A 56 12.044 11.570 -2.021 1.00 0.00 C ATOM 832 CD LYS A 56 12.936 10.508 -2.716 1.00 0.00 C ATOM 833 CE LYS A 56 13.813 11.182 -3.787 1.00 0.00 C ATOM 834 NZ LYS A 56 14.718 10.168 -4.406 1.00 0.00 N ATOM 0 H LYS A 56 9.199 11.691 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 56 10.624 9.284 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.818 11.718 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.998 10.424 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.331 11.980 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.659 12.400 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.565 10.010 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.313 9.740 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.184 11.638 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.401 11.983 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.309 10.626 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.327 9.753 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.149 9.418 -4.848 1.00 0.00 H new ATOM 848 N LYS A 57 8.771 9.526 0.604 1.00 0.00 N ATOM 849 CA LYS A 57 8.264 8.744 1.777 1.00 0.00 C ATOM 850 C LYS A 57 7.636 7.482 1.185 1.00 0.00 C ATOM 851 O LYS A 57 8.019 6.380 1.522 1.00 0.00 O ATOM 852 CB LYS A 57 7.199 9.567 2.546 1.00 0.00 C ATOM 853 CG LYS A 57 6.911 8.906 3.922 1.00 0.00 C ATOM 854 CD LYS A 57 8.102 9.081 4.919 1.00 0.00 C ATOM 855 CE LYS A 57 7.903 10.322 5.820 1.00 0.00 C ATOM 856 NZ LYS A 57 7.897 11.587 5.031 1.00 0.00 N ATOM 0 H LYS A 57 8.297 10.413 0.434 1.00 0.00 H new ATOM 0 HA LYS A 57 9.059 8.506 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.551 10.589 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.281 9.626 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.011 9.344 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.712 7.844 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.194 8.189 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.034 9.179 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.963 10.229 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.699 10.362 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.983 12.399 5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.697 11.586 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.006 11.660 4.499 1.00 0.00 H new ATOM 870 N ALA A 58 6.679 7.695 0.312 1.00 0.00 N ATOM 871 CA ALA A 58 5.974 6.554 -0.360 1.00 0.00 C ATOM 872 C ALA A 58 7.024 5.518 -0.786 1.00 0.00 C ATOM 873 O ALA A 58 6.905 4.355 -0.472 1.00 0.00 O ATOM 874 CB ALA A 58 5.218 7.067 -1.593 1.00 0.00 C ATOM 0 H ALA A 58 6.353 8.620 0.033 1.00 0.00 H new ATOM 0 HA ALA A 58 5.258 6.099 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.707 6.236 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.485 7.814 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.924 7.517 -2.291 1.00 0.00 H new ATOM 880 N ALA A 59 8.025 5.992 -1.490 1.00 0.00 N ATOM 881 CA ALA A 59 9.134 5.108 -1.974 1.00 0.00 C ATOM 882 C ALA A 59 9.689 4.275 -0.801 1.00 0.00 C ATOM 883 O ALA A 59 9.608 3.067 -0.829 1.00 0.00 O ATOM 884 CB ALA A 59 10.251 5.986 -2.581 1.00 0.00 C ATOM 0 H ALA A 59 8.122 6.972 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 59 8.756 4.426 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.062 5.350 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.849 6.560 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.631 6.668 -1.821 1.00 0.00 H new ATOM 890 N LYS A 60 10.235 4.946 0.185 1.00 0.00 N ATOM 891 CA LYS A 60 10.819 4.301 1.408 1.00 0.00 C ATOM 892 C LYS A 60 9.949 3.136 1.913 1.00 0.00 C ATOM 893 O LYS A 60 10.444 2.093 2.287 1.00 0.00 O ATOM 894 CB LYS A 60 10.965 5.403 2.488 1.00 0.00 C ATOM 895 CG LYS A 60 11.721 4.908 3.754 1.00 0.00 C ATOM 896 CD LYS A 60 13.170 4.487 3.396 1.00 0.00 C ATOM 897 CE LYS A 60 13.987 4.234 4.678 1.00 0.00 C ATOM 898 NZ LYS A 60 14.149 5.504 5.446 1.00 0.00 N ATOM 0 H LYS A 60 10.303 5.964 0.192 1.00 0.00 H new ATOM 0 HA LYS A 60 11.790 3.867 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.496 6.254 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.975 5.757 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.741 5.699 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.190 4.064 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.153 3.585 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.646 5.267 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.486 3.488 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.966 3.829 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.974 5.427 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.290 6.294 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.296 5.677 6.015 1.00 0.00 H new ATOM 912 N LEU A 61 8.660 3.358 1.906 1.00 0.00 N ATOM 913 CA LEU A 61 7.700 2.307 2.374 1.00 0.00 C ATOM 914 C LEU A 61 7.576 1.213 1.308 1.00 0.00 C ATOM 915 O LEU A 61 7.744 0.052 1.622 1.00 0.00 O ATOM 916 CB LEU A 61 6.362 3.006 2.641 1.00 0.00 C ATOM 917 CG LEU A 61 6.632 4.208 3.594 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.337 4.987 3.769 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.171 3.714 4.964 1.00 0.00 C ATOM 0 H LEU A 61 8.226 4.227 1.595 1.00 0.00 H new ATOM 0 HA LEU A 61 8.043 1.821 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.919 3.352 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.653 2.313 3.093 1.00 0.00 H new ATOM 0 HG LEU A 61 7.393 4.857 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.508 5.833 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.997 5.351 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.576 4.336 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.353 4.570 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.437 3.056 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.103 3.169 4.813 1.00 0.00 H new ATOM 931 N LYS A 62 7.273 1.594 0.090 1.00 0.00 N ATOM 932 CA LYS A 62 7.143 0.614 -1.046 1.00 0.00 C ATOM 933 C LYS A 62 8.330 -0.352 -0.918 1.00 0.00 C ATOM 934 O LYS A 62 8.180 -1.551 -0.956 1.00 0.00 O ATOM 935 CB LYS A 62 7.194 1.396 -2.374 1.00 0.00 C ATOM 936 CG LYS A 62 6.864 0.450 -3.550 1.00 0.00 C ATOM 937 CD LYS A 62 6.752 1.284 -4.841 1.00 0.00 C ATOM 938 CE LYS A 62 6.296 0.384 -6.001 1.00 0.00 C ATOM 939 NZ LYS A 62 6.069 1.216 -7.218 1.00 0.00 N ATOM 0 H LYS A 62 7.106 2.565 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 62 6.206 0.058 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.483 2.221 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.183 1.832 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.642 -0.307 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.930 -0.078 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.042 2.098 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.714 1.738 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.050 -0.377 -6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.380 -0.140 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.761 0.607 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.335 1.926 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.953 1.696 -7.480 1.00 0.00 H new