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 38 LYS NZ :NH3+ -162:sc= -0.0253 (180deg=-0.345) USER MOD Set 1.2: A 42 MET CE :methyl -172:sc= -0.106 (180deg=-0.278) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.551 USER MOD Single : A 17 SER OG : rot 180:sc= -0.142 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.067) USER MOD Single : A 31 SER OG : rot 180:sc= -0.312 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.307 F(o=-1.7,f=-0.31) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.287 F(o=-1,f=-0.29) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.206 F(o=-2.4,f=-0.21) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= -0.734 (180deg=-0.755) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0918) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.736 0.090 -0.617 1.00 0.00 N ATOM 86 CA PRO A 8 0.712 1.206 0.382 1.00 0.00 C ATOM 87 C PRO A 8 0.122 2.509 -0.217 1.00 0.00 C ATOM 88 O PRO A 8 -0.324 2.500 -1.348 1.00 0.00 O ATOM 89 CB PRO A 8 2.186 1.329 0.816 1.00 0.00 C ATOM 90 CG PRO A 8 2.944 0.926 -0.463 1.00 0.00 C ATOM 91 CD PRO A 8 2.144 -0.293 -0.949 1.00 0.00 C ATOM 0 HA PRO A 8 0.059 1.013 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.433 2.343 1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.420 0.669 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.951 1.728 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.984 0.674 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.276 -0.466 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.447 -1.207 -0.438 1.00 0.00 H new ATOM 99 N PRO A 9 0.122 3.585 0.551 1.00 0.00 N ATOM 100 CA PRO A 9 -0.038 4.995 0.064 1.00 0.00 C ATOM 101 C PRO A 9 0.517 5.359 -1.335 1.00 0.00 C ATOM 102 O PRO A 9 1.097 4.549 -2.032 1.00 0.00 O ATOM 103 CB PRO A 9 0.587 5.843 1.212 1.00 0.00 C ATOM 104 CG PRO A 9 1.235 4.800 2.164 1.00 0.00 C ATOM 105 CD PRO A 9 0.304 3.598 2.031 1.00 0.00 C ATOM 0 HA PRO A 9 -1.093 5.190 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.329 6.544 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.172 6.432 1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.255 4.557 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.282 5.164 3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.753 2.678 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.635 3.735 2.567 1.00 0.00 H new ATOM 113 N SER A 10 0.312 6.608 -1.687 1.00 0.00 N ATOM 114 CA SER A 10 0.770 7.149 -3.010 1.00 0.00 C ATOM 115 C SER A 10 1.862 8.240 -2.923 1.00 0.00 C ATOM 116 O SER A 10 2.806 8.224 -3.688 1.00 0.00 O ATOM 117 CB SER A 10 -0.446 7.738 -3.741 1.00 0.00 C ATOM 118 OG SER A 10 -1.350 6.648 -3.858 1.00 0.00 O ATOM 0 H SER A 10 -0.165 7.291 -1.099 1.00 0.00 H new ATOM 0 HA SER A 10 1.219 6.310 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.887 8.561 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.169 8.132 -4.719 1.00 0.00 H new ATOM 0 HG SER A 10 -2.163 6.945 -4.318 1.00 0.00 H new ATOM 124 N ALA A 11 1.658 9.125 -1.977 1.00 0.00 N ATOM 125 CA ALA A 11 2.522 10.315 -1.640 1.00 0.00 C ATOM 126 C ALA A 11 1.449 11.366 -1.314 1.00 0.00 C ATOM 127 O ALA A 11 1.532 12.145 -0.381 1.00 0.00 O ATOM 128 CB ALA A 11 3.345 10.802 -2.845 1.00 0.00 C ATOM 0 H ALA A 11 0.845 9.063 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 11 3.249 10.106 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.949 11.660 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.997 9.999 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.672 11.093 -3.652 1.00 0.00 H new ATOM 134 N PHE A 12 0.449 11.304 -2.157 1.00 0.00 N ATOM 135 CA PHE A 12 -0.754 12.162 -2.121 1.00 0.00 C ATOM 136 C PHE A 12 -1.570 11.762 -0.885 1.00 0.00 C ATOM 137 O PHE A 12 -2.528 12.421 -0.536 1.00 0.00 O ATOM 138 CB PHE A 12 -1.494 11.898 -3.440 1.00 0.00 C ATOM 139 CG PHE A 12 -2.983 12.219 -3.350 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.419 13.527 -3.389 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.900 11.209 -3.238 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.766 13.803 -3.308 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.239 11.479 -3.158 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.681 12.785 -3.196 1.00 0.00 C ATOM 0 H PHE A 12 0.430 10.634 -2.926 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.544 13.228 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.044 12.497 -4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.368 10.852 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.706 14.333 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.562 10.184 -3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.105 14.828 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.949 10.670 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.737 13.005 -3.138 1.00 0.00 H new ATOM 154 N PHE A 13 -1.157 10.693 -0.250 1.00 0.00 N ATOM 155 CA PHE A 13 -1.878 10.220 0.953 1.00 0.00 C ATOM 156 C PHE A 13 -1.348 10.998 2.159 1.00 0.00 C ATOM 157 O PHE A 13 -2.153 11.487 2.920 1.00 0.00 O ATOM 158 CB PHE A 13 -1.640 8.708 1.113 1.00 0.00 C ATOM 159 CG PHE A 13 -2.538 8.216 2.261 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.122 8.310 3.574 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.788 7.692 1.987 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.943 7.889 4.600 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.610 7.269 3.010 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.189 7.369 4.319 1.00 0.00 C ATOM 0 H PHE A 13 -0.349 10.132 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.952 10.388 0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.878 8.183 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.592 8.506 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.147 8.716 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.123 7.613 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.609 7.967 5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.584 6.859 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.833 7.041 5.122 1.00 0.00 H new ATOM 174 N LEU A 14 -0.050 11.109 2.319 1.00 0.00 N ATOM 175 CA LEU A 14 0.503 11.872 3.492 1.00 0.00 C ATOM 176 C LEU A 14 -0.176 13.248 3.469 1.00 0.00 C ATOM 177 O LEU A 14 -0.817 13.702 4.398 1.00 0.00 O ATOM 178 CB LEU A 14 2.046 12.085 3.366 1.00 0.00 C ATOM 179 CG LEU A 14 2.930 10.807 3.236 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.500 9.682 4.192 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.037 10.292 1.787 1.00 0.00 C ATOM 0 H LEU A 14 0.649 10.708 1.694 1.00 0.00 H new ATOM 0 HA LEU A 14 0.316 11.319 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.231 12.714 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.383 12.642 4.240 1.00 0.00 H new ATOM 0 HG LEU A 14 3.928 11.123 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.152 8.819 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.572 10.032 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.470 9.396 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.665 9.401 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.043 10.045 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.479 11.065 1.158 1.00 0.00 H new ATOM 193 N PHE A 15 0.016 13.846 2.327 1.00 0.00 N ATOM 194 CA PHE A 15 -0.530 15.189 2.020 1.00 0.00 C ATOM 195 C PHE A 15 -2.059 15.214 2.298 1.00 0.00 C ATOM 196 O PHE A 15 -2.515 15.991 3.117 1.00 0.00 O ATOM 197 CB PHE A 15 -0.070 15.416 0.551 1.00 0.00 C ATOM 198 CG PHE A 15 -0.902 16.347 -0.327 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.948 15.803 -1.043 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.611 17.700 -0.460 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.692 16.580 -1.882 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.375 18.479 -1.311 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.414 17.917 -2.024 1.00 0.00 C ATOM 0 H PHE A 15 0.554 13.436 1.564 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.176 16.014 2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.948 15.804 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.029 14.444 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.180 14.753 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.204 18.139 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.506 16.140 -2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.157 19.531 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.006 18.526 -2.691 1.00 0.00 H new ATOM 213 N CYS A 16 -2.814 14.371 1.638 1.00 0.00 N ATOM 214 CA CYS A 16 -4.302 14.345 1.860 1.00 0.00 C ATOM 215 C CYS A 16 -4.705 14.162 3.317 1.00 0.00 C ATOM 216 O CYS A 16 -5.627 14.806 3.768 1.00 0.00 O ATOM 217 CB CYS A 16 -4.961 13.211 1.041 1.00 0.00 C ATOM 218 SG CYS A 16 -6.761 13.036 1.183 1.00 0.00 S ATOM 0 H CYS A 16 -2.469 13.698 0.954 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.651 15.324 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.717 13.366 -0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.504 12.267 1.339 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.161 12.048 0.439 1.00 0.00 H new ATOM 223 N SER A 17 -4.029 13.300 4.020 1.00 0.00 N ATOM 224 CA SER A 17 -4.369 13.070 5.449 1.00 0.00 C ATOM 225 C SER A 17 -4.394 14.400 6.217 1.00 0.00 C ATOM 226 O SER A 17 -5.340 14.724 6.909 1.00 0.00 O ATOM 227 CB SER A 17 -3.324 12.111 6.037 1.00 0.00 C ATOM 228 OG SER A 17 -3.774 11.838 7.355 1.00 0.00 O ATOM 0 H SER A 17 -3.252 12.742 3.665 1.00 0.00 H new ATOM 0 HA SER A 17 -5.362 12.630 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.252 11.197 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.333 12.564 6.045 1.00 0.00 H new ATOM 0 HG SER A 17 -3.149 11.224 7.794 1.00 0.00 H new ATOM 234 N GLU A 18 -3.318 15.115 6.036 1.00 0.00 N ATOM 235 CA GLU A 18 -3.115 16.442 6.677 1.00 0.00 C ATOM 236 C GLU A 18 -4.102 17.518 6.164 1.00 0.00 C ATOM 237 O GLU A 18 -4.272 18.553 6.781 1.00 0.00 O ATOM 238 CB GLU A 18 -1.661 16.834 6.394 1.00 0.00 C ATOM 239 CG GLU A 18 -1.317 18.191 7.033 1.00 0.00 C ATOM 240 CD GLU A 18 0.176 18.492 6.818 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.973 17.762 7.385 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.448 19.436 6.094 1.00 0.00 O ATOM 0 H GLU A 18 -2.541 14.819 5.445 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.312 16.375 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.992 16.066 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.498 16.884 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.926 18.979 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.546 18.172 8.099 1.00 0.00 H new ATOM 249 N TYR A 19 -4.729 17.237 5.050 1.00 0.00 N ATOM 250 CA TYR A 19 -5.708 18.196 4.438 1.00 0.00 C ATOM 251 C TYR A 19 -7.164 17.930 4.798 1.00 0.00 C ATOM 252 O TYR A 19 -7.891 18.860 5.082 1.00 0.00 O ATOM 253 CB TYR A 19 -5.571 18.135 2.923 1.00 0.00 C ATOM 254 CG TYR A 19 -4.550 19.165 2.430 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.203 19.031 2.688 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.991 20.241 1.694 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.309 19.961 2.208 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.100 21.173 1.215 1.00 0.00 C ATOM 259 CZ TYR A 19 -2.751 21.041 1.469 1.00 0.00 C ATOM 260 OH TYR A 19 -1.849 21.969 0.988 1.00 0.00 O ATOM 0 H TYR A 19 -4.604 16.370 4.528 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.462 19.178 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.261 17.135 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.539 18.323 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.847 18.193 3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.046 20.355 1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.254 19.845 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.459 22.012 0.637 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.328 22.663 0.488 1.00 0.00 H new ATOM 270 N ARG A 20 -7.531 16.673 4.760 1.00 0.00 N ATOM 271 CA ARG A 20 -8.917 16.209 5.073 1.00 0.00 C ATOM 272 C ARG A 20 -9.726 17.218 5.898 1.00 0.00 C ATOM 273 O ARG A 20 -10.637 17.810 5.363 1.00 0.00 O ATOM 274 CB ARG A 20 -8.831 14.826 5.821 1.00 0.00 C ATOM 275 CG ARG A 20 -9.408 13.742 4.884 1.00 0.00 C ATOM 276 CD ARG A 20 -9.385 12.336 5.520 1.00 0.00 C ATOM 277 NE ARG A 20 -7.971 11.873 5.695 1.00 0.00 N ATOM 278 CZ ARG A 20 -7.621 11.213 6.771 1.00 0.00 C ATOM 279 NH1 ARG A 20 -8.321 10.166 7.117 1.00 0.00 N ATOM 280 NH2 ARG A 20 -6.592 11.610 7.468 1.00 0.00 N ATOM 0 H ARG A 20 -6.894 15.916 4.513 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.451 16.103 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.797 14.596 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.393 14.862 6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.434 14.002 4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.836 13.727 3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.891 12.357 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.930 11.634 4.889 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.278 12.072 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.121 9.878 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.068 9.636 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.063 12.431 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.316 11.099 8.307 1.00 0.00 H new ATOM 294 N PRO A 21 -9.383 17.424 7.147 1.00 0.00 N ATOM 295 CA PRO A 21 -10.250 18.159 8.109 1.00 0.00 C ATOM 296 C PRO A 21 -10.472 19.630 7.710 1.00 0.00 C ATOM 297 O PRO A 21 -11.474 20.229 8.055 1.00 0.00 O ATOM 298 CB PRO A 21 -9.519 17.980 9.435 1.00 0.00 C ATOM 299 CG PRO A 21 -8.034 17.923 9.008 1.00 0.00 C ATOM 300 CD PRO A 21 -8.101 16.997 7.789 1.00 0.00 C ATOM 0 HA PRO A 21 -11.270 17.777 8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.711 18.808 10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.827 17.068 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.642 18.908 8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.396 17.520 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.247 17.133 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.118 15.945 8.075 1.00 0.00 H new ATOM 308 N LYS A 22 -9.521 20.152 6.983 1.00 0.00 N ATOM 309 CA LYS A 22 -9.577 21.565 6.520 1.00 0.00 C ATOM 310 C LYS A 22 -10.433 21.748 5.272 1.00 0.00 C ATOM 311 O LYS A 22 -11.051 22.785 5.125 1.00 0.00 O ATOM 312 CB LYS A 22 -8.153 22.068 6.211 1.00 0.00 C ATOM 313 CG LYS A 22 -7.254 21.980 7.474 1.00 0.00 C ATOM 314 CD LYS A 22 -6.212 23.125 7.481 1.00 0.00 C ATOM 315 CE LYS A 22 -6.922 24.494 7.672 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.929 25.605 7.682 1.00 0.00 N ATOM 0 H LYS A 22 -8.688 19.644 6.685 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.033 22.139 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.718 21.474 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.194 23.099 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.871 22.037 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.744 21.017 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.491 22.966 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.653 23.124 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.643 24.651 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.482 24.492 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.423 26.511 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.257 25.463 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.413 25.617 6.779 1.00 0.00 H new ATOM 330 N ILE A 23 -10.481 20.766 4.405 1.00 0.00 N ATOM 331 CA ILE A 23 -11.318 20.961 3.176 1.00 0.00 C ATOM 332 C ILE A 23 -12.713 20.516 3.556 1.00 0.00 C ATOM 333 O ILE A 23 -13.698 21.089 3.156 1.00 0.00 O ATOM 334 CB ILE A 23 -10.843 20.085 1.984 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.333 19.788 2.079 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.114 20.925 0.700 1.00 0.00 C ATOM 337 CD1 ILE A 23 -8.932 18.893 0.906 1.00 0.00 C ATOM 0 H ILE A 23 -9.999 19.871 4.486 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.257 22.001 2.856 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.367 19.129 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.764 20.717 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.104 19.296 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.799 20.360 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.179 21.145 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.553 21.858 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.865 18.676 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.495 17.961 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.149 19.404 -0.032 1.00 0.00 H new ATOM 349 N LYS A 24 -12.718 19.485 4.342 1.00 0.00 N ATOM 350 CA LYS A 24 -13.950 18.856 4.864 1.00 0.00 C ATOM 351 C LYS A 24 -14.585 19.749 5.940 1.00 0.00 C ATOM 352 O LYS A 24 -15.727 19.569 6.315 1.00 0.00 O ATOM 353 CB LYS A 24 -13.495 17.519 5.389 1.00 0.00 C ATOM 354 CG LYS A 24 -14.695 16.634 5.809 1.00 0.00 C ATOM 355 CD LYS A 24 -14.270 15.147 5.868 1.00 0.00 C ATOM 356 CE LYS A 24 -13.155 14.891 6.903 1.00 0.00 C ATOM 357 NZ LYS A 24 -12.769 13.451 6.861 1.00 0.00 N ATOM 0 H LYS A 24 -11.864 19.028 4.661 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.729 18.727 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.914 17.005 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.835 17.668 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.067 16.952 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.513 16.758 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.137 14.534 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.926 14.832 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.290 15.518 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.501 15.158 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.017 13.273 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.597 12.863 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.424 13.212 5.910 1.00 0.00 H new ATOM 371 N GLY A 25 -13.800 20.691 6.397 1.00 0.00 N ATOM 372 CA GLY A 25 -14.259 21.651 7.447 1.00 0.00 C ATOM 373 C GLY A 25 -14.852 22.904 6.788 1.00 0.00 C ATOM 374 O GLY A 25 -15.760 23.515 7.316 1.00 0.00 O ATOM 0 H GLY A 25 -12.842 20.838 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.006 21.177 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.423 21.928 8.089 1.00 0.00 H new ATOM 378 N GLU A 26 -14.309 23.241 5.646 1.00 0.00 N ATOM 379 CA GLU A 26 -14.772 24.433 4.881 1.00 0.00 C ATOM 380 C GLU A 26 -15.897 24.081 3.897 1.00 0.00 C ATOM 381 O GLU A 26 -16.876 24.794 3.780 1.00 0.00 O ATOM 382 CB GLU A 26 -13.585 25.006 4.097 1.00 0.00 C ATOM 383 CG GLU A 26 -12.497 25.494 5.070 1.00 0.00 C ATOM 384 CD GLU A 26 -13.001 26.709 5.864 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.237 27.722 5.224 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.127 26.559 7.067 1.00 0.00 O ATOM 0 H GLU A 26 -13.547 22.727 5.204 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.163 25.162 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.176 24.245 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.919 25.831 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.224 24.691 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.597 25.760 4.516 1.00 0.00 H new ATOM 393 N HIS A 27 -15.703 22.977 3.224 1.00 0.00 N ATOM 394 CA HIS A 27 -16.654 22.451 2.213 1.00 0.00 C ATOM 395 C HIS A 27 -17.019 21.013 2.609 1.00 0.00 C ATOM 396 O HIS A 27 -16.516 20.062 2.038 1.00 0.00 O ATOM 397 CB HIS A 27 -15.948 22.513 0.837 1.00 0.00 C ATOM 398 CG HIS A 27 -15.223 23.860 0.728 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.801 25.012 0.679 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.869 24.145 0.678 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.904 25.943 0.603 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.690 25.449 0.599 1.00 0.00 N ATOM 0 H HIS A 27 -14.876 22.392 3.346 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.575 23.032 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.239 21.691 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.675 22.407 0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.078 23.410 0.700 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.129 26.998 0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.807 25.958 0.547 1.00 0.00 H new ATOM 410 N PRO A 28 -17.887 20.884 3.591 1.00 0.00 N ATOM 411 CA PRO A 28 -18.548 19.592 3.913 1.00 0.00 C ATOM 412 C PRO A 28 -19.709 19.349 2.926 1.00 0.00 C ATOM 413 O PRO A 28 -20.759 18.862 3.296 1.00 0.00 O ATOM 414 CB PRO A 28 -18.974 19.786 5.361 1.00 0.00 C ATOM 415 CG PRO A 28 -19.408 21.274 5.369 1.00 0.00 C ATOM 416 CD PRO A 28 -18.316 21.974 4.516 1.00 0.00 C ATOM 0 HA PRO A 28 -17.925 18.703 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.791 19.121 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.157 19.595 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.400 21.405 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.445 21.676 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.712 22.834 3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.490 22.335 5.129 1.00 0.00 H new ATOM 424 N GLY A 29 -19.452 19.714 1.693 1.00 0.00 N ATOM 425 CA GLY A 29 -20.438 19.559 0.592 1.00 0.00 C ATOM 426 C GLY A 29 -19.738 19.001 -0.655 1.00 0.00 C ATOM 427 O GLY A 29 -20.151 19.291 -1.762 1.00 0.00 O ATOM 0 H GLY A 29 -18.566 20.127 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.240 18.889 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.897 20.521 0.364 1.00 0.00 H new ATOM 431 N LEU A 30 -18.703 18.224 -0.442 1.00 0.00 N ATOM 432 CA LEU A 30 -17.941 17.612 -1.571 1.00 0.00 C ATOM 433 C LEU A 30 -18.269 16.111 -1.691 1.00 0.00 C ATOM 434 O LEU A 30 -19.189 15.767 -2.403 1.00 0.00 O ATOM 435 CB LEU A 30 -16.423 17.829 -1.306 1.00 0.00 C ATOM 436 CG LEU A 30 -15.999 19.307 -1.440 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.473 19.415 -1.273 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.398 19.925 -2.802 1.00 0.00 C ATOM 0 H LEU A 30 -18.350 17.985 0.485 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.221 18.083 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.179 17.475 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.846 17.225 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.521 19.862 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.170 20.458 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.187 19.041 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.980 18.823 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.074 20.965 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.921 19.368 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.481 19.878 -2.920 1.00 0.00 H new ATOM 450 N SER A 31 -17.517 15.296 -0.989 1.00 0.00 N ATOM 451 CA SER A 31 -17.641 13.791 -0.940 1.00 0.00 C ATOM 452 C SER A 31 -16.215 13.262 -0.769 1.00 0.00 C ATOM 453 O SER A 31 -15.268 14.004 -0.912 1.00 0.00 O ATOM 454 CB SER A 31 -18.171 13.171 -2.259 1.00 0.00 C ATOM 455 OG SER A 31 -18.299 11.785 -1.984 1.00 0.00 O ATOM 0 H SER A 31 -16.760 15.641 -0.399 1.00 0.00 H new ATOM 0 HA SER A 31 -18.336 13.532 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.128 13.607 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.481 13.348 -3.084 1.00 0.00 H new ATOM 0 HG SER A 31 -18.635 11.323 -2.780 1.00 0.00 H new ATOM 461 N ILE A 32 -16.080 11.992 -0.489 1.00 0.00 N ATOM 462 CA ILE A 32 -14.722 11.400 -0.312 1.00 0.00 C ATOM 463 C ILE A 32 -14.081 11.141 -1.687 1.00 0.00 C ATOM 464 O ILE A 32 -12.985 10.631 -1.803 1.00 0.00 O ATOM 465 CB ILE A 32 -14.911 10.105 0.492 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.561 9.573 1.030 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.607 9.010 -0.370 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.929 10.581 2.024 1.00 0.00 C ATOM 0 H ILE A 32 -16.854 11.338 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.049 12.071 0.221 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.551 10.342 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.714 8.614 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.877 9.397 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.729 8.103 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.585 9.367 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.995 8.792 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.981 10.186 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.756 11.531 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.605 10.736 2.865 1.00 0.00 H new ATOM 480 N GLY A 33 -14.833 11.521 -2.678 1.00 0.00 N ATOM 481 CA GLY A 33 -14.425 11.381 -4.105 1.00 0.00 C ATOM 482 C GLY A 33 -14.196 12.772 -4.708 1.00 0.00 C ATOM 483 O GLY A 33 -13.725 12.895 -5.823 1.00 0.00 O ATOM 0 H GLY A 33 -15.754 11.941 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.514 10.787 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.196 10.852 -4.665 1.00 0.00 H new ATOM 487 N ASP A 34 -14.528 13.779 -3.937 1.00 0.00 N ATOM 488 CA ASP A 34 -14.379 15.198 -4.358 1.00 0.00 C ATOM 489 C ASP A 34 -13.210 15.749 -3.562 1.00 0.00 C ATOM 490 O ASP A 34 -12.312 16.353 -4.107 1.00 0.00 O ATOM 491 CB ASP A 34 -15.704 15.909 -4.048 1.00 0.00 C ATOM 492 CG ASP A 34 -16.780 15.527 -5.085 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.542 15.779 -6.255 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.792 14.999 -4.658 1.00 0.00 O ATOM 0 H ASP A 34 -14.910 13.665 -2.998 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.176 15.332 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.043 15.639 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.554 16.989 -4.053 1.00 0.00 H new ATOM 499 N VAL A 35 -13.255 15.522 -2.280 1.00 0.00 N ATOM 500 CA VAL A 35 -12.180 15.983 -1.350 1.00 0.00 C ATOM 501 C VAL A 35 -10.888 15.294 -1.820 1.00 0.00 C ATOM 502 O VAL A 35 -9.799 15.804 -1.645 1.00 0.00 O ATOM 503 CB VAL A 35 -12.551 15.537 0.088 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.393 15.782 1.072 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.760 16.335 0.605 1.00 0.00 C ATOM 0 H VAL A 35 -14.016 15.020 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.057 17.066 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.778 14.472 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.689 15.458 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.518 15.217 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.152 16.845 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.006 16.009 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.517 17.397 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.615 16.165 -0.050 1.00 0.00 H new ATOM 515 N ALA A 36 -11.100 14.148 -2.417 1.00 0.00 N ATOM 516 CA ALA A 36 -10.015 13.290 -2.953 1.00 0.00 C ATOM 517 C ALA A 36 -9.622 13.662 -4.378 1.00 0.00 C ATOM 518 O ALA A 36 -8.445 13.726 -4.658 1.00 0.00 O ATOM 519 CB ALA A 36 -10.500 11.858 -2.898 1.00 0.00 C ATOM 0 H ALA A 36 -12.033 13.760 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.120 13.430 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.725 11.196 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.724 11.589 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.401 11.755 -3.503 1.00 0.00 H new ATOM 525 N LYS A 37 -10.572 13.894 -5.250 1.00 0.00 N ATOM 526 CA LYS A 37 -10.191 14.260 -6.649 1.00 0.00 C ATOM 527 C LYS A 37 -9.936 15.762 -6.810 1.00 0.00 C ATOM 528 O LYS A 37 -9.475 16.186 -7.851 1.00 0.00 O ATOM 529 CB LYS A 37 -11.308 13.859 -7.631 1.00 0.00 C ATOM 530 CG LYS A 37 -11.334 12.333 -7.836 1.00 0.00 C ATOM 531 CD LYS A 37 -12.368 12.016 -8.941 1.00 0.00 C ATOM 532 CE LYS A 37 -12.264 10.532 -9.337 1.00 0.00 C ATOM 533 NZ LYS A 37 -13.222 10.223 -10.438 1.00 0.00 N ATOM 0 H LYS A 37 -11.573 13.848 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.269 13.721 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.272 14.196 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.153 14.356 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.347 11.970 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.602 11.828 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.374 12.238 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.190 12.648 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.247 10.304 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.476 9.902 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.142 9.219 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.192 10.423 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.001 10.812 -11.266 1.00 0.00 H new ATOM 547 N LYS A 38 -10.204 16.531 -5.784 1.00 0.00 N ATOM 548 CA LYS A 38 -9.993 17.999 -5.869 1.00 0.00 C ATOM 549 C LYS A 38 -8.594 18.108 -5.342 1.00 0.00 C ATOM 550 O LYS A 38 -7.745 18.734 -5.941 1.00 0.00 O ATOM 551 CB LYS A 38 -11.001 18.732 -4.962 1.00 0.00 C ATOM 552 CG LYS A 38 -10.746 20.248 -5.005 1.00 0.00 C ATOM 553 CD LYS A 38 -11.906 20.964 -4.275 1.00 0.00 C ATOM 554 CE LYS A 38 -11.641 22.480 -4.264 1.00 0.00 C ATOM 555 NZ LYS A 38 -10.430 22.791 -3.449 1.00 0.00 N ATOM 0 H LYS A 38 -10.562 16.198 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.129 18.436 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.019 18.517 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.911 18.369 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.795 20.485 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.679 20.591 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.851 20.752 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.994 20.591 -3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.503 22.839 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.506 23.004 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.432 23.800 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.437 22.216 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.575 22.575 -4.001 1.00 0.00 H new ATOM 569 N LEU A 39 -8.398 17.468 -4.221 1.00 0.00 N ATOM 570 CA LEU A 39 -7.070 17.494 -3.608 1.00 0.00 C ATOM 571 C LEU A 39 -6.107 16.789 -4.609 1.00 0.00 C ATOM 572 O LEU A 39 -5.041 17.291 -4.897 1.00 0.00 O ATOM 573 CB LEU A 39 -7.229 16.770 -2.271 1.00 0.00 C ATOM 574 CG LEU A 39 -5.886 16.723 -1.639 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.465 18.043 -0.956 1.00 0.00 C ATOM 576 CD2 LEU A 39 -5.768 15.566 -0.688 1.00 0.00 C ATOM 0 H LEU A 39 -9.106 16.935 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.657 18.484 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.938 17.295 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.620 15.764 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.186 16.576 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.473 17.926 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.444 18.844 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.180 18.291 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.773 15.561 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.517 15.663 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.929 14.633 -1.228 1.00 0.00 H new ATOM 588 N GLY A 40 -6.518 15.646 -5.108 1.00 0.00 N ATOM 589 CA GLY A 40 -5.704 14.846 -6.085 1.00 0.00 C ATOM 590 C GLY A 40 -5.110 15.725 -7.156 1.00 0.00 C ATOM 591 O GLY A 40 -3.917 15.742 -7.384 1.00 0.00 O ATOM 0 H GLY A 40 -7.414 15.220 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.906 14.325 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.332 14.083 -6.545 1.00 0.00 H new ATOM 595 N GLU A 41 -5.986 16.452 -7.786 1.00 0.00 N ATOM 596 CA GLU A 41 -5.524 17.357 -8.863 1.00 0.00 C ATOM 597 C GLU A 41 -4.386 18.258 -8.395 1.00 0.00 C ATOM 598 O GLU A 41 -3.317 18.263 -8.975 1.00 0.00 O ATOM 599 CB GLU A 41 -6.679 18.210 -9.302 1.00 0.00 C ATOM 600 CG GLU A 41 -7.691 17.383 -10.122 1.00 0.00 C ATOM 601 CD GLU A 41 -7.044 16.853 -11.412 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.684 17.680 -12.233 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.939 15.641 -11.508 1.00 0.00 O ATOM 0 H GLU A 41 -6.989 16.458 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.152 16.749 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.174 18.637 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.314 19.044 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.056 16.548 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.555 17.999 -10.370 1.00 0.00 H new ATOM 610 N MET A 42 -4.660 18.983 -7.340 1.00 0.00 N ATOM 611 CA MET A 42 -3.650 19.914 -6.776 1.00 0.00 C ATOM 612 C MET A 42 -2.352 19.214 -6.461 1.00 0.00 C ATOM 613 O MET A 42 -1.303 19.750 -6.716 1.00 0.00 O ATOM 614 CB MET A 42 -4.178 20.529 -5.530 1.00 0.00 C ATOM 615 CG MET A 42 -5.528 21.208 -5.838 1.00 0.00 C ATOM 616 SD MET A 42 -6.130 22.426 -4.643 1.00 0.00 S ATOM 617 CE MET A 42 -6.847 21.252 -3.468 1.00 0.00 C ATOM 0 H MET A 42 -5.551 18.966 -6.844 1.00 0.00 H new ATOM 0 HA MET A 42 -3.453 20.678 -7.528 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.306 19.768 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.469 21.260 -5.141 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.447 21.698 -6.808 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.284 20.429 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.407 21.795 -2.707 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.517 20.573 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.050 20.680 -2.993 1.00 0.00 H new ATOM 627 N TRP A 43 -2.450 18.046 -5.897 1.00 0.00 N ATOM 628 CA TRP A 43 -1.238 17.258 -5.556 1.00 0.00 C ATOM 629 C TRP A 43 -0.362 17.122 -6.791 1.00 0.00 C ATOM 630 O TRP A 43 0.837 17.331 -6.736 1.00 0.00 O ATOM 631 CB TRP A 43 -1.695 15.908 -5.062 1.00 0.00 C ATOM 632 CG TRP A 43 -0.504 14.965 -5.055 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.298 14.012 -5.985 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.498 14.956 -4.172 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.840 13.479 -5.602 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.406 13.974 -4.515 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.705 15.745 -3.057 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.534 13.785 -3.723 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.827 15.558 -2.264 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.748 14.574 -2.599 1.00 0.00 C ATOM 0 H TRP A 43 -3.333 17.597 -5.654 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.650 17.750 -4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.115 15.994 -4.060 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.483 15.517 -5.705 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.914 13.752 -6.833 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.269 12.714 -6.122 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.011 16.512 -2.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.249 13.019 -3.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.984 16.174 -1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.626 14.423 -1.989 1.00 0.00 H new ATOM 651 N ASN A 44 -1.026 16.774 -7.865 1.00 0.00 N ATOM 652 CA ASN A 44 -0.277 16.602 -9.141 1.00 0.00 C ATOM 653 C ASN A 44 0.429 17.923 -9.509 1.00 0.00 C ATOM 654 O ASN A 44 1.422 17.920 -10.210 1.00 0.00 O ATOM 655 CB ASN A 44 -1.265 16.157 -10.256 1.00 0.00 C ATOM 656 CG ASN A 44 -1.919 14.843 -9.800 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.220 14.756 -9.757 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.247 13.882 -9.476 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.031 16.605 -7.912 1.00 0.00 H new ATOM 0 HA ASN A 44 0.487 15.832 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.022 16.923 -10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.739 16.015 -11.200 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.229 13.938 -9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.702 13.020 -9.175 1.00 0.00 H new ATOM 665 N ASN A 45 -0.125 19.008 -9.015 1.00 0.00 N ATOM 666 CA ASN A 45 0.435 20.383 -9.267 1.00 0.00 C ATOM 667 C ASN A 45 0.607 21.162 -7.931 1.00 0.00 C ATOM 668 O ASN A 45 0.276 22.333 -7.869 1.00 0.00 O ATOM 669 CB ASN A 45 -0.537 21.155 -10.193 1.00 0.00 C ATOM 670 CG ASN A 45 -1.284 20.177 -11.097 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.545 19.977 -10.823 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -0.742 19.599 -12.019 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.963 19.000 -8.433 1.00 0.00 H new ATOM 0 HA ASN A 45 1.413 20.288 -9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.247 21.725 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.017 21.872 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.244 19.768 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.273 18.945 -12.594 1.00 0.00 H new ATOM 679 N THR A 46 1.120 20.528 -6.894 1.00 0.00 N ATOM 680 CA THR A 46 1.275 21.281 -5.602 1.00 0.00 C ATOM 681 C THR A 46 2.501 22.193 -5.686 1.00 0.00 C ATOM 682 O THR A 46 2.399 23.379 -5.431 1.00 0.00 O ATOM 683 CB THR A 46 1.402 20.250 -4.406 1.00 0.00 C ATOM 684 OG1 THR A 46 1.519 21.068 -3.250 1.00 0.00 O ATOM 685 CG2 THR A 46 2.676 19.390 -4.361 1.00 0.00 C ATOM 0 H THR A 46 1.428 19.556 -6.884 1.00 0.00 H new ATOM 0 HA THR A 46 0.400 21.906 -5.423 1.00 0.00 H new ATOM 0 HB THR A 46 0.555 19.570 -4.496 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.601 20.501 -2.455 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.638 18.728 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.745 18.794 -5.271 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.550 20.037 -4.284 1.00 0.00 H new ATOM 693 N ALA A 47 3.614 21.613 -6.033 1.00 0.00 N ATOM 694 CA ALA A 47 4.876 22.386 -6.157 1.00 0.00 C ATOM 695 C ALA A 47 5.868 21.545 -6.946 1.00 0.00 C ATOM 696 O ALA A 47 6.481 22.024 -7.879 1.00 0.00 O ATOM 697 CB ALA A 47 5.453 22.687 -4.762 1.00 0.00 C ATOM 0 H ALA A 47 3.702 20.618 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 47 4.685 23.332 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.378 23.254 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.732 23.270 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.658 21.751 -4.243 1.00 0.00 H new ATOM 703 N ALA A 48 5.958 20.314 -6.489 1.00 0.00 N ATOM 704 CA ALA A 48 6.851 19.233 -7.030 1.00 0.00 C ATOM 705 C ALA A 48 8.117 19.283 -6.152 1.00 0.00 C ATOM 706 O ALA A 48 8.945 18.395 -6.158 1.00 0.00 O ATOM 707 CB ALA A 48 7.252 19.468 -8.513 1.00 0.00 C ATOM 0 H ALA A 48 5.400 19.995 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 48 6.335 18.273 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.897 18.656 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.355 19.499 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.786 20.414 -8.600 1.00 0.00 H new ATOM 713 N ASP A 49 8.186 20.366 -5.416 1.00 0.00 N ATOM 714 CA ASP A 49 9.284 20.689 -4.475 1.00 0.00 C ATOM 715 C ASP A 49 8.693 20.683 -3.046 1.00 0.00 C ATOM 716 O ASP A 49 9.383 20.944 -2.081 1.00 0.00 O ATOM 717 CB ASP A 49 9.828 22.077 -4.853 1.00 0.00 C ATOM 718 CG ASP A 49 10.496 22.036 -6.250 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.785 21.757 -7.207 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.690 22.289 -6.276 1.00 0.00 O ATOM 0 H ASP A 49 7.464 21.086 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 49 10.100 19.967 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.016 22.805 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.551 22.406 -4.107 1.00 0.00 H new ATOM 725 N ASP A 50 7.416 20.372 -2.976 1.00 0.00 N ATOM 726 CA ASP A 50 6.660 20.307 -1.685 1.00 0.00 C ATOM 727 C ASP A 50 6.174 18.857 -1.558 1.00 0.00 C ATOM 728 O ASP A 50 5.688 18.434 -0.527 1.00 0.00 O ATOM 729 CB ASP A 50 5.470 21.289 -1.750 1.00 0.00 C ATOM 730 CG ASP A 50 4.754 21.389 -0.389 1.00 0.00 C ATOM 731 OD1 ASP A 50 3.980 20.492 -0.095 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.026 22.367 0.286 1.00 0.00 O ATOM 0 H ASP A 50 6.849 20.153 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 50 7.270 20.585 -0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.825 22.275 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.764 20.959 -2.512 1.00 0.00 H new ATOM 737 N LYS A 51 6.340 18.130 -2.634 1.00 0.00 N ATOM 738 CA LYS A 51 5.930 16.708 -2.681 1.00 0.00 C ATOM 739 C LYS A 51 7.127 15.978 -2.118 1.00 0.00 C ATOM 740 O LYS A 51 6.964 15.247 -1.174 1.00 0.00 O ATOM 741 CB LYS A 51 5.703 16.241 -4.115 1.00 0.00 C ATOM 742 CG LYS A 51 4.682 17.129 -4.811 1.00 0.00 C ATOM 743 CD LYS A 51 4.480 16.661 -6.261 1.00 0.00 C ATOM 744 CE LYS A 51 3.680 15.370 -6.271 1.00 0.00 C ATOM 745 NZ LYS A 51 3.499 14.877 -7.664 1.00 0.00 N ATOM 0 H LYS A 51 6.753 18.478 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 51 5.000 16.535 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.645 16.261 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.356 15.208 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.734 17.097 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.020 18.165 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.958 17.429 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.446 16.506 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.192 14.614 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.707 15.535 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.950 13.994 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.991 15.592 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.430 14.700 -8.093 1.00 0.00 H new ATOM 759 N GLN A 52 8.271 16.199 -2.718 1.00 0.00 N ATOM 760 CA GLN A 52 9.562 15.563 -2.293 1.00 0.00 C ATOM 761 C GLN A 52 9.576 15.038 -0.837 1.00 0.00 C ATOM 762 O GLN A 52 9.826 13.867 -0.660 1.00 0.00 O ATOM 763 CB GLN A 52 10.700 16.615 -2.520 1.00 0.00 C ATOM 764 CG GLN A 52 11.902 15.973 -3.259 1.00 0.00 C ATOM 765 CD GLN A 52 11.541 15.531 -4.699 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.329 15.690 -5.164 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.377 15.027 -5.423 1.00 0.00 N flip ATOM 0 H GLN A 52 8.367 16.822 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 52 9.709 14.669 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.316 17.454 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.028 17.015 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.725 16.686 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.254 15.110 -2.694 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.330 14.892 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.126 14.739 -6.369 1.00 0.00 H new ATOM 776 N PRO A 53 9.312 15.854 0.165 1.00 0.00 N ATOM 777 CA PRO A 53 9.140 15.388 1.576 1.00 0.00 C ATOM 778 C PRO A 53 8.188 14.188 1.743 1.00 0.00 C ATOM 779 O PRO A 53 8.557 13.155 2.270 1.00 0.00 O ATOM 780 CB PRO A 53 8.657 16.639 2.331 1.00 0.00 C ATOM 781 CG PRO A 53 8.084 17.531 1.203 1.00 0.00 C ATOM 782 CD PRO A 53 9.112 17.330 0.084 1.00 0.00 C ATOM 0 HA PRO A 53 10.076 14.992 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.899 16.393 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.474 17.132 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.085 17.215 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.010 18.575 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.734 17.645 -0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.033 17.884 0.262 1.00 0.00 H new ATOM 790 N TYR A 54 6.984 14.379 1.267 1.00 0.00 N ATOM 791 CA TYR A 54 5.930 13.316 1.351 1.00 0.00 C ATOM 792 C TYR A 54 6.311 12.156 0.436 1.00 0.00 C ATOM 793 O TYR A 54 6.317 11.006 0.821 1.00 0.00 O ATOM 794 CB TYR A 54 4.573 13.889 0.897 1.00 0.00 C ATOM 795 CG TYR A 54 4.080 15.020 1.819 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.905 14.815 3.174 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.798 16.262 1.294 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.451 15.832 3.988 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.345 17.281 2.104 1.00 0.00 C ATOM 800 CZ TYR A 54 3.169 17.078 3.460 1.00 0.00 C ATOM 801 OH TYR A 54 2.707 18.105 4.263 1.00 0.00 O ATOM 0 H TYR A 54 6.679 15.241 0.815 1.00 0.00 H new ATOM 0 HA TYR A 54 5.852 12.969 2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.663 14.266 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.832 13.090 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.126 13.848 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.933 16.439 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.315 15.654 5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.125 18.248 1.675 1.00 0.00 H new ATOM 0 HH TYR A 54 2.564 18.907 3.718 1.00 0.00 H new ATOM 811 N GLU A 55 6.615 12.518 -0.779 1.00 0.00 N ATOM 812 CA GLU A 55 7.014 11.530 -1.813 1.00 0.00 C ATOM 813 C GLU A 55 8.118 10.592 -1.328 1.00 0.00 C ATOM 814 O GLU A 55 7.954 9.397 -1.441 1.00 0.00 O ATOM 815 CB GLU A 55 7.450 12.317 -3.066 1.00 0.00 C ATOM 816 CG GLU A 55 6.530 11.898 -4.232 1.00 0.00 C ATOM 817 CD GLU A 55 6.972 12.579 -5.542 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.912 13.798 -5.581 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.345 11.836 -6.437 1.00 0.00 O ATOM 0 H GLU A 55 6.602 13.485 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 55 6.167 10.884 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.376 13.390 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.492 12.105 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.556 10.815 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.499 12.169 -4.005 1.00 0.00 H new ATOM 826 N LYS A 56 9.202 11.122 -0.818 1.00 0.00 N ATOM 827 CA LYS A 56 10.316 10.261 -0.314 1.00 0.00 C ATOM 828 C LYS A 56 9.756 9.113 0.538 1.00 0.00 C ATOM 829 O LYS A 56 10.199 7.985 0.425 1.00 0.00 O ATOM 830 CB LYS A 56 11.310 11.116 0.540 1.00 0.00 C ATOM 831 CG LYS A 56 12.400 11.742 -0.382 1.00 0.00 C ATOM 832 CD LYS A 56 13.501 12.468 0.452 1.00 0.00 C ATOM 833 CE LYS A 56 12.985 13.805 1.015 1.00 0.00 C ATOM 834 NZ LYS A 56 12.704 14.747 -0.106 1.00 0.00 N ATOM 0 H LYS A 56 9.364 12.125 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 56 10.847 9.842 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.768 11.904 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.779 10.492 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.857 10.961 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.936 12.450 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.822 11.825 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.375 12.648 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.080 13.640 1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.725 14.237 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.421 15.671 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.560 14.862 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.935 14.367 -0.694 1.00 0.00 H new ATOM 848 N LYS A 57 8.778 9.436 1.356 1.00 0.00 N ATOM 849 CA LYS A 57 8.170 8.385 2.232 1.00 0.00 C ATOM 850 C LYS A 57 7.488 7.380 1.310 1.00 0.00 C ATOM 851 O LYS A 57 7.827 6.215 1.309 1.00 0.00 O ATOM 852 CB LYS A 57 7.116 9.008 3.190 1.00 0.00 C ATOM 853 CG LYS A 57 7.731 10.059 4.151 1.00 0.00 C ATOM 854 CD LYS A 57 8.842 9.421 5.026 1.00 0.00 C ATOM 855 CE LYS A 57 9.143 10.323 6.247 1.00 0.00 C ATOM 856 NZ LYS A 57 9.513 11.709 5.833 1.00 0.00 N ATOM 0 H LYS A 57 8.380 10.370 1.453 1.00 0.00 H new ATOM 0 HA LYS A 57 8.938 7.911 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.328 9.477 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.649 8.216 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.145 10.887 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.952 10.474 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.528 8.433 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.747 9.283 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.269 10.359 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.956 9.888 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.901 12.223 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.228 11.667 5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.668 12.204 5.482 1.00 0.00 H new ATOM 870 N ALA A 58 6.542 7.869 0.550 1.00 0.00 N ATOM 871 CA ALA A 58 5.781 7.005 -0.413 1.00 0.00 C ATOM 872 C ALA A 58 6.714 6.019 -1.136 1.00 0.00 C ATOM 873 O ALA A 58 6.480 4.829 -1.147 1.00 0.00 O ATOM 874 CB ALA A 58 5.086 7.890 -1.438 1.00 0.00 C ATOM 0 H ALA A 58 6.257 8.848 0.554 1.00 0.00 H new ATOM 0 HA ALA A 58 5.046 6.428 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.532 7.267 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.397 8.564 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.831 8.473 -1.980 1.00 0.00 H new ATOM 880 N ALA A 59 7.752 6.568 -1.718 1.00 0.00 N ATOM 881 CA ALA A 59 8.769 5.767 -2.466 1.00 0.00 C ATOM 882 C ALA A 59 9.282 4.645 -1.559 1.00 0.00 C ATOM 883 O ALA A 59 9.167 3.481 -1.881 1.00 0.00 O ATOM 884 CB ALA A 59 9.922 6.698 -2.885 1.00 0.00 C ATOM 0 H ALA A 59 7.941 7.570 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 59 8.330 5.323 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.671 6.126 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.535 7.492 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.377 7.136 -1.997 1.00 0.00 H new ATOM 890 N LYS A 60 9.833 5.046 -0.439 1.00 0.00 N ATOM 891 CA LYS A 60 10.390 4.107 0.571 1.00 0.00 C ATOM 892 C LYS A 60 9.395 2.973 0.819 1.00 0.00 C ATOM 893 O LYS A 60 9.777 1.828 0.800 1.00 0.00 O ATOM 894 CB LYS A 60 10.669 4.903 1.862 1.00 0.00 C ATOM 895 CG LYS A 60 11.884 4.269 2.577 1.00 0.00 C ATOM 896 CD LYS A 60 12.194 5.067 3.859 1.00 0.00 C ATOM 897 CE LYS A 60 13.556 4.620 4.415 1.00 0.00 C ATOM 898 NZ LYS A 60 13.866 5.366 5.664 1.00 0.00 N ATOM 0 H LYS A 60 9.920 6.028 -0.179 1.00 0.00 H new ATOM 0 HA LYS A 60 11.320 3.660 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.871 5.948 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.795 4.886 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.673 3.229 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.751 4.270 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.209 6.135 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.413 4.903 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.542 3.549 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.336 4.795 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.788 5.058 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.898 6.385 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.129 5.177 6.373 1.00 0.00 H new ATOM 912 N LEU A 61 8.149 3.308 1.038 1.00 0.00 N ATOM 913 CA LEU A 61 7.110 2.254 1.288 1.00 0.00 C ATOM 914 C LEU A 61 6.949 1.370 0.042 1.00 0.00 C ATOM 915 O LEU A 61 7.049 0.166 0.137 1.00 0.00 O ATOM 916 CB LEU A 61 5.796 2.958 1.647 1.00 0.00 C ATOM 917 CG LEU A 61 6.059 3.897 2.850 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.769 4.630 3.180 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.586 3.113 4.083 1.00 0.00 C ATOM 0 H LEU A 61 7.802 4.267 1.055 1.00 0.00 H new ATOM 0 HA LEU A 61 7.409 1.605 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.426 3.528 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.029 2.225 1.898 1.00 0.00 H new ATOM 0 HG LEU A 61 6.834 4.615 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.936 5.297 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.450 5.213 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.995 3.907 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.759 3.805 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.849 2.368 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.521 2.615 3.825 1.00 0.00 H new ATOM 931 N LYS A 62 6.692 1.972 -1.089 1.00 0.00 N ATOM 932 CA LYS A 62 6.526 1.228 -2.386 1.00 0.00 C ATOM 933 C LYS A 62 7.625 0.136 -2.439 1.00 0.00 C ATOM 934 O LYS A 62 7.390 -1.040 -2.636 1.00 0.00 O ATOM 935 CB LYS A 62 6.690 2.261 -3.527 1.00 0.00 C ATOM 936 CG LYS A 62 6.041 1.820 -4.846 1.00 0.00 C ATOM 937 CD LYS A 62 4.496 1.825 -4.705 1.00 0.00 C ATOM 938 CE LYS A 62 3.856 1.876 -6.105 1.00 0.00 C ATOM 939 NZ LYS A 62 4.304 0.719 -6.929 1.00 0.00 N ATOM 0 H LYS A 62 6.586 2.983 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 62 5.553 0.747 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.252 3.209 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.752 2.440 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.343 2.490 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.387 0.822 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.165 0.933 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.176 2.684 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.770 1.866 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.126 2.809 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.695 0.633 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.288 0.868 -7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.242 -0.153 -6.366 1.00 0.00 H new