USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 17 SER OG : rot 82:sc= 0.951 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.048 (180deg=-0.328) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 31 SER OG : rot -72:sc= 1.21 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 -151:sc= -0.038 (180deg=-0.203) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.174 F(o=-1.8!,f=-0.17) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.447 F(o=-1.3,f=-0.45) USER MOD Single : A 46 THR OG1 : rot -134:sc= 0.107 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.264 F(o=-5!,f=-0.26) USER MOD Single : A 54 TYR OH : rot -53:sc= 0.0287 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.0573 (180deg=-0.513) USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= -0.101 (180deg=-0.681) USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= -0.0551 (180deg=-0.503) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.072 (180deg=-0.384) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.767 -0.151 -0.528 1.00 0.00 N ATOM 86 CA PRO A 8 1.516 1.104 -0.218 1.00 0.00 C ATOM 87 C PRO A 8 0.749 2.404 -0.562 1.00 0.00 C ATOM 88 O PRO A 8 -0.239 2.356 -1.270 1.00 0.00 O ATOM 89 CB PRO A 8 2.817 0.955 -1.005 1.00 0.00 C ATOM 90 CG PRO A 8 2.416 0.024 -2.176 1.00 0.00 C ATOM 91 CD PRO A 8 1.553 -1.017 -1.459 1.00 0.00 C ATOM 0 HA PRO A 8 1.681 1.215 0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.184 1.917 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.609 0.518 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.861 0.554 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.284 -0.425 -2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.913 -1.567 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.154 -1.754 -0.927 1.00 0.00 H new ATOM 99 N PRO A 9 1.222 3.527 -0.061 1.00 0.00 N ATOM 100 CA PRO A 9 0.622 4.866 -0.327 1.00 0.00 C ATOM 101 C PRO A 9 0.847 5.326 -1.780 1.00 0.00 C ATOM 102 O PRO A 9 1.259 4.554 -2.627 1.00 0.00 O ATOM 103 CB PRO A 9 1.291 5.772 0.707 1.00 0.00 C ATOM 104 CG PRO A 9 2.706 5.163 0.781 1.00 0.00 C ATOM 105 CD PRO A 9 2.412 3.652 0.840 1.00 0.00 C ATOM 0 HA PRO A 9 -0.464 4.873 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.309 6.814 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.781 5.742 1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.308 5.426 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.250 5.506 1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.255 3.059 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.192 3.319 1.854 1.00 0.00 H new ATOM 113 N SER A 10 0.560 6.583 -2.003 1.00 0.00 N ATOM 114 CA SER A 10 0.715 7.208 -3.354 1.00 0.00 C ATOM 115 C SER A 10 1.792 8.308 -3.355 1.00 0.00 C ATOM 116 O SER A 10 2.578 8.386 -4.279 1.00 0.00 O ATOM 117 CB SER A 10 -0.635 7.820 -3.780 1.00 0.00 C ATOM 118 OG SER A 10 -1.563 6.741 -3.774 1.00 0.00 O ATOM 0 H SER A 10 0.215 7.220 -1.285 1.00 0.00 H new ATOM 0 HA SER A 10 1.027 6.433 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.944 8.606 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.566 8.272 -4.769 1.00 0.00 H new ATOM 0 HG SER A 10 -2.448 7.069 -4.037 1.00 0.00 H new ATOM 124 N ALA A 11 1.753 9.091 -2.302 1.00 0.00 N ATOM 125 CA ALA A 11 2.650 10.264 -1.999 1.00 0.00 C ATOM 126 C ALA A 11 1.619 11.305 -1.562 1.00 0.00 C ATOM 127 O ALA A 11 1.738 11.975 -0.553 1.00 0.00 O ATOM 128 CB ALA A 11 3.373 10.774 -3.239 1.00 0.00 C ATOM 0 H ALA A 11 1.062 8.946 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 11 3.434 10.030 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.007 11.619 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.989 9.977 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.641 11.092 -3.982 1.00 0.00 H new ATOM 134 N PHE A 12 0.621 11.378 -2.404 1.00 0.00 N ATOM 135 CA PHE A 12 -0.540 12.284 -2.238 1.00 0.00 C ATOM 136 C PHE A 12 -1.142 11.846 -0.903 1.00 0.00 C ATOM 137 O PHE A 12 -1.573 12.665 -0.127 1.00 0.00 O ATOM 138 CB PHE A 12 -1.429 12.024 -3.496 1.00 0.00 C ATOM 139 CG PHE A 12 -2.951 12.336 -3.480 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.665 12.932 -2.447 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.650 11.962 -4.620 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.029 13.132 -2.571 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.005 12.166 -4.733 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.695 12.751 -3.704 1.00 0.00 C ATOM 0 H PHE A 12 0.569 10.808 -3.248 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.359 13.358 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.995 12.595 -4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.322 10.969 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.155 13.240 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.117 11.500 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.575 13.595 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.524 11.866 -5.631 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.760 12.911 -3.787 1.00 0.00 H new ATOM 154 N PHE A 13 -1.143 10.561 -0.661 1.00 0.00 N ATOM 155 CA PHE A 13 -1.711 10.028 0.611 1.00 0.00 C ATOM 156 C PHE A 13 -1.289 10.844 1.854 1.00 0.00 C ATOM 157 O PHE A 13 -2.130 11.278 2.614 1.00 0.00 O ATOM 158 CB PHE A 13 -1.271 8.556 0.771 1.00 0.00 C ATOM 159 CG PHE A 13 -2.276 7.860 1.705 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.294 8.100 3.071 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.201 6.979 1.170 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.220 7.472 3.881 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.125 6.353 1.979 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.134 6.598 3.334 1.00 0.00 C ATOM 0 H PHE A 13 -0.772 9.854 -1.295 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.796 10.106 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.244 8.059 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.264 8.502 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.579 8.783 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.198 6.780 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.228 7.666 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.843 5.670 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.857 6.105 3.967 1.00 0.00 H new ATOM 174 N LEU A 14 -0.002 11.039 2.014 1.00 0.00 N ATOM 175 CA LEU A 14 0.524 11.807 3.181 1.00 0.00 C ATOM 176 C LEU A 14 -0.136 13.187 3.288 1.00 0.00 C ATOM 177 O LEU A 14 -0.836 13.500 4.233 1.00 0.00 O ATOM 178 CB LEU A 14 2.066 12.012 3.056 1.00 0.00 C ATOM 179 CG LEU A 14 2.964 10.725 2.981 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.535 9.619 3.954 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.105 10.168 1.551 1.00 0.00 C ATOM 0 H LEU A 14 0.714 10.693 1.375 1.00 0.00 H new ATOM 0 HA LEU A 14 0.293 11.225 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.255 12.607 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.397 12.604 3.909 1.00 0.00 H new ATOM 0 HG LEU A 14 3.949 11.066 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.200 8.762 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.588 9.993 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.512 9.315 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.737 9.280 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.120 9.906 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.558 10.924 0.909 1.00 0.00 H new ATOM 193 N PHE A 15 0.119 13.973 2.275 1.00 0.00 N ATOM 194 CA PHE A 15 -0.435 15.351 2.221 1.00 0.00 C ATOM 195 C PHE A 15 -1.981 15.341 2.409 1.00 0.00 C ATOM 196 O PHE A 15 -2.517 16.111 3.184 1.00 0.00 O ATOM 197 CB PHE A 15 0.132 15.922 0.855 1.00 0.00 C ATOM 198 CG PHE A 15 -0.844 16.576 -0.114 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.529 15.767 -0.983 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.029 17.950 -0.168 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.382 16.302 -1.893 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.894 18.493 -1.094 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.569 17.664 -1.957 1.00 0.00 C ATOM 0 H PHE A 15 0.695 13.712 1.475 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.133 16.012 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.903 16.654 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.623 15.102 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.389 14.697 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.495 18.594 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.918 15.655 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.040 19.562 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.247 18.082 -2.686 1.00 0.00 H new ATOM 213 N CYS A 16 -2.656 14.467 1.709 1.00 0.00 N ATOM 214 CA CYS A 16 -4.144 14.351 1.807 1.00 0.00 C ATOM 215 C CYS A 16 -4.597 14.097 3.239 1.00 0.00 C ATOM 216 O CYS A 16 -5.530 14.731 3.683 1.00 0.00 O ATOM 217 CB CYS A 16 -4.658 13.198 0.936 1.00 0.00 C ATOM 218 SG CYS A 16 -6.277 12.501 1.349 1.00 0.00 S ATOM 0 H CYS A 16 -2.227 13.811 1.056 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.553 15.300 1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.694 13.546 -0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.924 12.393 0.976 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.561 11.542 0.518 1.00 0.00 H new ATOM 223 N SER A 17 -3.953 13.182 3.918 1.00 0.00 N ATOM 224 CA SER A 17 -4.334 12.873 5.328 1.00 0.00 C ATOM 225 C SER A 17 -4.441 14.167 6.146 1.00 0.00 C ATOM 226 O SER A 17 -5.408 14.410 6.842 1.00 0.00 O ATOM 227 CB SER A 17 -3.271 11.941 5.949 1.00 0.00 C ATOM 228 OG SER A 17 -3.274 10.790 5.120 1.00 0.00 O ATOM 0 H SER A 17 -3.175 12.633 3.553 1.00 0.00 H new ATOM 0 HA SER A 17 -5.305 12.377 5.338 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.290 12.415 5.965 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.520 11.688 6.980 1.00 0.00 H new ATOM 0 HG SER A 17 -2.729 10.959 4.323 1.00 0.00 H new ATOM 234 N GLU A 18 -3.405 14.947 6.001 1.00 0.00 N ATOM 235 CA GLU A 18 -3.288 16.263 6.700 1.00 0.00 C ATOM 236 C GLU A 18 -4.251 17.348 6.146 1.00 0.00 C ATOM 237 O GLU A 18 -4.438 18.384 6.754 1.00 0.00 O ATOM 238 CB GLU A 18 -1.823 16.689 6.552 1.00 0.00 C ATOM 239 CG GLU A 18 -1.587 18.080 7.183 1.00 0.00 C ATOM 240 CD GLU A 18 -0.086 18.417 7.170 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.450 18.507 6.076 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.448 18.569 8.257 1.00 0.00 O ATOM 0 H GLU A 18 -2.607 14.720 5.407 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.580 16.154 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.176 15.954 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.552 16.713 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.143 18.838 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.962 18.092 8.206 1.00 0.00 H new ATOM 249 N TYR A 19 -4.838 17.071 5.012 1.00 0.00 N ATOM 250 CA TYR A 19 -5.790 18.016 4.350 1.00 0.00 C ATOM 251 C TYR A 19 -7.261 17.769 4.637 1.00 0.00 C ATOM 252 O TYR A 19 -7.976 18.690 4.965 1.00 0.00 O ATOM 253 CB TYR A 19 -5.601 17.934 2.839 1.00 0.00 C ATOM 254 CG TYR A 19 -4.613 18.977 2.347 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.354 18.999 2.900 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.942 19.895 1.378 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.428 19.926 2.498 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.018 20.828 0.971 1.00 0.00 C ATOM 259 CZ TYR A 19 -2.751 20.855 1.525 1.00 0.00 C ATOM 260 OH TYR A 19 -1.830 21.796 1.111 1.00 0.00 O ATOM 0 H TYR A 19 -4.693 16.201 4.500 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.550 18.995 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.247 16.939 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.561 18.077 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.092 18.278 3.660 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.927 19.883 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.443 19.931 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.284 21.547 0.211 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.231 22.365 0.421 1.00 0.00 H new ATOM 270 N ARG A 20 -7.654 16.532 4.491 1.00 0.00 N ATOM 271 CA ARG A 20 -9.063 16.096 4.718 1.00 0.00 C ATOM 272 C ARG A 20 -9.893 17.027 5.622 1.00 0.00 C ATOM 273 O ARG A 20 -10.773 17.685 5.112 1.00 0.00 O ATOM 274 CB ARG A 20 -9.007 14.647 5.276 1.00 0.00 C ATOM 275 CG ARG A 20 -8.673 13.702 4.101 1.00 0.00 C ATOM 276 CD ARG A 20 -8.810 12.229 4.505 1.00 0.00 C ATOM 277 NE ARG A 20 -10.258 11.943 4.742 1.00 0.00 N ATOM 278 CZ ARG A 20 -10.619 10.855 5.366 1.00 0.00 C ATOM 279 NH1 ARG A 20 -10.326 9.704 4.823 1.00 0.00 N ATOM 280 NH2 ARG A 20 -11.255 10.947 6.501 1.00 0.00 N ATOM 0 H ARG A 20 -7.029 15.776 4.212 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.592 16.139 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.251 14.567 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.961 14.374 5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.337 13.913 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.656 13.893 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.418 11.582 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.230 12.026 5.405 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.966 12.600 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.827 9.672 3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.596 8.837 5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.467 11.864 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.541 10.102 6.995 1.00 0.00 H new ATOM 294 N PRO A 21 -9.610 17.101 6.902 1.00 0.00 N ATOM 295 CA PRO A 21 -10.473 17.822 7.885 1.00 0.00 C ATOM 296 C PRO A 21 -10.556 19.344 7.666 1.00 0.00 C ATOM 297 O PRO A 21 -11.420 20.004 8.211 1.00 0.00 O ATOM 298 CB PRO A 21 -9.857 17.446 9.219 1.00 0.00 C ATOM 299 CG PRO A 21 -8.356 17.336 8.867 1.00 0.00 C ATOM 300 CD PRO A 21 -8.411 16.517 7.577 1.00 0.00 C ATOM 0 HA PRO A 21 -11.520 17.532 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.042 18.203 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.255 16.506 9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.897 18.313 8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.786 16.834 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.507 16.633 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.529 15.451 7.773 1.00 0.00 H new ATOM 308 N LYS A 22 -9.651 19.839 6.862 1.00 0.00 N ATOM 309 CA LYS A 22 -9.575 21.295 6.543 1.00 0.00 C ATOM 310 C LYS A 22 -10.340 21.611 5.261 1.00 0.00 C ATOM 311 O LYS A 22 -10.852 22.707 5.127 1.00 0.00 O ATOM 312 CB LYS A 22 -8.115 21.722 6.334 1.00 0.00 C ATOM 313 CG LYS A 22 -7.225 21.314 7.521 1.00 0.00 C ATOM 314 CD LYS A 22 -5.830 21.961 7.335 1.00 0.00 C ATOM 315 CE LYS A 22 -4.910 21.589 8.516 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.483 22.067 9.810 1.00 0.00 N ATOM 0 H LYS A 22 -8.939 19.274 6.399 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.014 21.835 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.731 21.270 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.068 22.803 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.672 21.641 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.135 20.229 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.386 21.624 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.929 23.044 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.775 20.508 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.924 22.028 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.745 22.054 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.839 23.037 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.265 21.443 10.095 1.00 0.00 H new ATOM 330 N ILE A 23 -10.424 20.665 4.358 1.00 0.00 N ATOM 331 CA ILE A 23 -11.160 20.955 3.096 1.00 0.00 C ATOM 332 C ILE A 23 -12.606 20.686 3.452 1.00 0.00 C ATOM 333 O ILE A 23 -13.503 21.427 3.121 1.00 0.00 O ATOM 334 CB ILE A 23 -10.756 20.004 1.950 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.219 19.863 1.871 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.250 20.666 0.635 1.00 0.00 C ATOM 337 CD1 ILE A 23 -8.886 18.819 0.791 1.00 0.00 C ATOM 0 H ILE A 23 -10.025 19.730 4.438 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.956 21.968 2.748 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.187 19.016 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.762 20.822 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.816 19.554 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.989 20.032 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.332 20.791 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.776 21.641 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.805 18.703 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.336 17.863 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.281 19.150 -0.169 1.00 0.00 H new ATOM 349 N LYS A 24 -12.743 19.595 4.142 1.00 0.00 N ATOM 350 CA LYS A 24 -14.038 19.081 4.633 1.00 0.00 C ATOM 351 C LYS A 24 -14.634 20.087 5.628 1.00 0.00 C ATOM 352 O LYS A 24 -15.835 20.236 5.726 1.00 0.00 O ATOM 353 CB LYS A 24 -13.725 17.760 5.280 1.00 0.00 C ATOM 354 CG LYS A 24 -15.012 16.977 5.612 1.00 0.00 C ATOM 355 CD LYS A 24 -14.625 15.719 6.417 1.00 0.00 C ATOM 356 CE LYS A 24 -14.311 16.067 7.889 1.00 0.00 C ATOM 357 NZ LYS A 24 -15.586 16.235 8.650 1.00 0.00 N ATOM 0 H LYS A 24 -11.953 19.004 4.399 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.776 18.949 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.098 17.167 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.153 17.927 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.696 17.600 6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.531 16.696 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.439 14.995 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.756 15.246 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.709 15.277 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.723 16.984 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.371 16.469 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.145 17.003 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.131 15.350 8.614 1.00 0.00 H new ATOM 371 N GLY A 25 -13.744 20.748 6.332 1.00 0.00 N ATOM 372 CA GLY A 25 -14.156 21.756 7.343 1.00 0.00 C ATOM 373 C GLY A 25 -14.815 22.958 6.667 1.00 0.00 C ATOM 374 O GLY A 25 -15.845 23.444 7.095 1.00 0.00 O ATOM 0 H GLY A 25 -12.736 20.624 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.850 21.305 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.287 22.084 7.913 1.00 0.00 H new ATOM 378 N GLU A 26 -14.174 23.389 5.614 1.00 0.00 N ATOM 379 CA GLU A 26 -14.643 24.548 4.804 1.00 0.00 C ATOM 380 C GLU A 26 -15.872 24.189 3.967 1.00 0.00 C ATOM 381 O GLU A 26 -16.853 24.907 3.939 1.00 0.00 O ATOM 382 CB GLU A 26 -13.497 24.973 3.886 1.00 0.00 C ATOM 383 CG GLU A 26 -12.289 25.385 4.743 1.00 0.00 C ATOM 384 CD GLU A 26 -12.554 26.742 5.425 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.704 27.702 4.687 1.00 0.00 O ATOM 386 OE2 GLU A 26 -12.597 26.739 6.645 1.00 0.00 O ATOM 0 H GLU A 26 -13.311 22.967 5.271 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.932 25.360 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.224 24.153 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.810 25.804 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.093 24.623 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.398 25.452 4.119 1.00 0.00 H new ATOM 393 N HIS A 27 -15.749 23.068 3.314 1.00 0.00 N ATOM 394 CA HIS A 27 -16.803 22.510 2.429 1.00 0.00 C ATOM 395 C HIS A 27 -17.207 21.111 2.931 1.00 0.00 C ATOM 396 O HIS A 27 -16.779 20.107 2.392 1.00 0.00 O ATOM 397 CB HIS A 27 -16.235 22.437 0.992 1.00 0.00 C ATOM 398 CG HIS A 27 -15.432 23.710 0.695 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.933 24.893 0.549 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.067 23.891 0.533 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.984 25.741 0.317 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.806 25.163 0.298 1.00 0.00 N ATOM 0 H HIS A 27 -14.912 22.487 3.364 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.691 23.142 2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.598 21.559 0.885 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.047 22.331 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.327 23.107 0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.142 26.797 0.158 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.897 25.597 0.138 1.00 0.00 H new ATOM 410 N PRO A 28 -18.025 21.076 3.957 1.00 0.00 N ATOM 411 CA PRO A 28 -18.764 19.848 4.360 1.00 0.00 C ATOM 412 C PRO A 28 -19.987 19.709 3.425 1.00 0.00 C ATOM 413 O PRO A 28 -21.108 19.523 3.857 1.00 0.00 O ATOM 414 CB PRO A 28 -19.096 20.120 5.825 1.00 0.00 C ATOM 415 CG PRO A 28 -19.401 21.644 5.800 1.00 0.00 C ATOM 416 CD PRO A 28 -18.316 22.222 4.856 1.00 0.00 C ATOM 0 HA PRO A 28 -18.232 18.900 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.951 19.537 6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.263 19.880 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.405 21.845 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.338 22.081 6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.679 23.089 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.430 22.542 5.405 1.00 0.00 H new ATOM 424 N GLY A 29 -19.679 19.809 2.156 1.00 0.00 N ATOM 425 CA GLY A 29 -20.668 19.713 1.054 1.00 0.00 C ATOM 426 C GLY A 29 -20.251 18.627 0.062 1.00 0.00 C ATOM 427 O GLY A 29 -21.098 18.047 -0.591 1.00 0.00 O ATOM 0 H GLY A 29 -18.725 19.962 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.654 19.486 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.747 20.672 0.542 1.00 0.00 H new ATOM 431 N LEU A 30 -18.965 18.377 -0.027 1.00 0.00 N ATOM 432 CA LEU A 30 -18.460 17.341 -0.963 1.00 0.00 C ATOM 433 C LEU A 30 -18.356 15.985 -0.249 1.00 0.00 C ATOM 434 O LEU A 30 -18.684 15.862 0.916 1.00 0.00 O ATOM 435 CB LEU A 30 -17.048 17.723 -1.508 1.00 0.00 C ATOM 436 CG LEU A 30 -16.460 19.084 -1.058 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.995 19.136 -1.560 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.239 20.238 -1.719 1.00 0.00 C ATOM 0 H LEU A 30 -18.245 18.854 0.516 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.163 17.275 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.349 16.940 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.093 17.718 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.523 19.184 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.542 20.082 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.431 18.311 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.980 19.051 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.819 21.191 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.162 20.155 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.287 20.185 -1.424 1.00 0.00 H new ATOM 450 N SER A 31 -17.895 15.016 -0.997 1.00 0.00 N ATOM 451 CA SER A 31 -17.720 13.624 -0.495 1.00 0.00 C ATOM 452 C SER A 31 -16.257 13.235 -0.520 1.00 0.00 C ATOM 453 O SER A 31 -15.405 13.988 -0.933 1.00 0.00 O ATOM 454 CB SER A 31 -18.503 12.650 -1.389 1.00 0.00 C ATOM 455 OG SER A 31 -17.888 12.745 -2.665 1.00 0.00 O ATOM 0 H SER A 31 -17.623 15.141 -1.972 1.00 0.00 H new ATOM 0 HA SER A 31 -18.091 13.577 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.453 11.632 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.558 12.921 -1.438 1.00 0.00 H new ATOM 0 HG SER A 31 -18.120 13.603 -3.077 1.00 0.00 H new ATOM 461 N ILE A 32 -16.017 12.038 -0.070 1.00 0.00 N ATOM 462 CA ILE A 32 -14.640 11.475 -0.028 1.00 0.00 C ATOM 463 C ILE A 32 -14.076 11.416 -1.453 1.00 0.00 C ATOM 464 O ILE A 32 -12.880 11.333 -1.641 1.00 0.00 O ATOM 465 CB ILE A 32 -14.770 10.068 0.642 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.480 10.160 2.157 1.00 0.00 C ATOM 467 CG2 ILE A 32 -13.875 9.013 -0.040 1.00 0.00 C ATOM 468 CD1 ILE A 32 -15.435 11.167 2.845 1.00 0.00 C ATOM 0 H ILE A 32 -16.739 11.408 0.281 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.943 12.084 0.547 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.799 9.735 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.593 9.176 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.446 10.468 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.999 8.052 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.160 8.916 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.832 9.324 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.210 11.213 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.302 12.155 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.467 10.843 2.706 1.00 0.00 H new ATOM 480 N GLY A 33 -14.971 11.465 -2.398 1.00 0.00 N ATOM 481 CA GLY A 33 -14.568 11.413 -3.838 1.00 0.00 C ATOM 482 C GLY A 33 -14.426 12.802 -4.469 1.00 0.00 C ATOM 483 O GLY A 33 -14.059 12.899 -5.623 1.00 0.00 O ATOM 0 H GLY A 33 -15.975 11.540 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.621 10.881 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.308 10.840 -4.397 1.00 0.00 H new ATOM 487 N ASP A 34 -14.708 13.829 -3.708 1.00 0.00 N ATOM 488 CA ASP A 34 -14.615 15.233 -4.190 1.00 0.00 C ATOM 489 C ASP A 34 -13.446 15.875 -3.472 1.00 0.00 C ATOM 490 O ASP A 34 -12.667 16.602 -4.052 1.00 0.00 O ATOM 491 CB ASP A 34 -15.908 15.951 -3.852 1.00 0.00 C ATOM 492 CG ASP A 34 -17.097 15.407 -4.665 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.968 15.356 -5.877 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.081 15.074 -4.023 1.00 0.00 O ATOM 0 H ASP A 34 -15.010 13.744 -2.737 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.464 15.282 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.116 15.842 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.793 17.017 -4.047 1.00 0.00 H new ATOM 499 N VAL A 35 -13.365 15.577 -2.208 1.00 0.00 N ATOM 500 CA VAL A 35 -12.280 16.109 -1.348 1.00 0.00 C ATOM 501 C VAL A 35 -11.004 15.467 -1.898 1.00 0.00 C ATOM 502 O VAL A 35 -9.947 16.066 -1.906 1.00 0.00 O ATOM 503 CB VAL A 35 -12.578 15.676 0.112 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.408 16.067 1.029 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.848 16.398 0.624 1.00 0.00 C ATOM 0 H VAL A 35 -14.026 14.969 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.188 17.195 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.722 14.596 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.628 15.758 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.498 15.573 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.267 17.147 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.053 16.091 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.691 17.476 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.696 16.136 -0.009 1.00 0.00 H new ATOM 515 N ALA A 36 -11.179 14.257 -2.364 1.00 0.00 N ATOM 516 CA ALA A 36 -10.059 13.475 -2.931 1.00 0.00 C ATOM 517 C ALA A 36 -9.840 13.868 -4.381 1.00 0.00 C ATOM 518 O ALA A 36 -8.712 14.122 -4.741 1.00 0.00 O ATOM 519 CB ALA A 36 -10.397 12.010 -2.839 1.00 0.00 C ATOM 0 H ALA A 36 -12.077 13.774 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.144 13.677 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.579 11.421 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.548 11.736 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.309 11.811 -3.402 1.00 0.00 H new ATOM 525 N LYS A 37 -10.870 13.919 -5.194 1.00 0.00 N ATOM 526 CA LYS A 37 -10.612 14.311 -6.611 1.00 0.00 C ATOM 527 C LYS A 37 -10.115 15.751 -6.726 1.00 0.00 C ATOM 528 O LYS A 37 -9.390 16.058 -7.652 1.00 0.00 O ATOM 529 CB LYS A 37 -11.898 14.149 -7.443 1.00 0.00 C ATOM 530 CG LYS A 37 -11.978 12.669 -7.882 1.00 0.00 C ATOM 531 CD LYS A 37 -13.235 12.424 -8.742 1.00 0.00 C ATOM 532 CE LYS A 37 -13.161 10.998 -9.333 1.00 0.00 C ATOM 533 NZ LYS A 37 -14.407 10.688 -10.090 1.00 0.00 N ATOM 0 H LYS A 37 -11.839 13.715 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.831 13.653 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.774 14.423 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.879 14.807 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.086 12.404 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.001 12.024 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.135 12.536 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.295 13.162 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.297 10.914 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.023 10.271 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.345 9.727 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.226 10.749 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.521 11.372 -10.865 1.00 0.00 H new ATOM 547 N LYS A 38 -10.483 16.600 -5.800 1.00 0.00 N ATOM 548 CA LYS A 38 -10.015 18.003 -5.895 1.00 0.00 C ATOM 549 C LYS A 38 -8.589 18.094 -5.353 1.00 0.00 C ATOM 550 O LYS A 38 -7.707 18.538 -6.060 1.00 0.00 O ATOM 551 CB LYS A 38 -10.914 18.934 -5.064 1.00 0.00 C ATOM 552 CG LYS A 38 -10.627 20.402 -5.500 1.00 0.00 C ATOM 553 CD LYS A 38 -11.179 21.420 -4.479 1.00 0.00 C ATOM 554 CE LYS A 38 -12.679 21.195 -4.201 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.169 22.234 -3.252 1.00 0.00 N ATOM 0 H LYS A 38 -11.076 16.383 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.051 18.310 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.964 18.689 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.713 18.807 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.552 20.545 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.076 20.586 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.620 21.339 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.027 22.432 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.244 21.242 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.837 20.201 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.181 22.083 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.638 22.168 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.031 23.177 -3.668 1.00 0.00 H new ATOM 569 N LEU A 39 -8.362 17.671 -4.133 1.00 0.00 N ATOM 570 CA LEU A 39 -6.980 17.761 -3.592 1.00 0.00 C ATOM 571 C LEU A 39 -6.048 16.877 -4.436 1.00 0.00 C ATOM 572 O LEU A 39 -4.890 17.198 -4.592 1.00 0.00 O ATOM 573 CB LEU A 39 -7.131 17.392 -2.072 1.00 0.00 C ATOM 574 CG LEU A 39 -6.663 16.019 -1.650 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.164 16.126 -1.482 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.252 15.666 -0.261 1.00 0.00 C ATOM 0 H LEU A 39 -9.061 17.276 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.508 18.742 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.583 18.131 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.183 17.489 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.965 15.267 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.762 15.160 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.712 16.423 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.936 16.872 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.911 14.675 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.920 16.400 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.341 15.674 -0.315 1.00 0.00 H new ATOM 588 N GLY A 40 -6.544 15.794 -4.972 1.00 0.00 N ATOM 589 CA GLY A 40 -5.662 14.919 -5.809 1.00 0.00 C ATOM 590 C GLY A 40 -5.145 15.731 -6.991 1.00 0.00 C ATOM 591 O GLY A 40 -3.986 15.652 -7.342 1.00 0.00 O ATOM 0 H GLY A 40 -7.508 15.477 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.828 14.544 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.218 14.050 -6.162 1.00 0.00 H new ATOM 595 N GLU A 41 -6.012 16.504 -7.593 1.00 0.00 N ATOM 596 CA GLU A 41 -5.544 17.321 -8.747 1.00 0.00 C ATOM 597 C GLU A 41 -4.505 18.304 -8.212 1.00 0.00 C ATOM 598 O GLU A 41 -3.447 18.454 -8.786 1.00 0.00 O ATOM 599 CB GLU A 41 -6.700 18.100 -9.351 1.00 0.00 C ATOM 600 CG GLU A 41 -7.668 17.148 -10.078 1.00 0.00 C ATOM 601 CD GLU A 41 -6.959 16.493 -11.282 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.611 17.233 -12.189 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.801 15.283 -11.223 1.00 0.00 O ATOM 0 H GLU A 41 -6.996 16.603 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.125 16.676 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.231 18.640 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.319 18.845 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.020 16.379 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.546 17.698 -10.417 1.00 0.00 H new ATOM 610 N MET A 42 -4.847 18.937 -7.112 1.00 0.00 N ATOM 611 CA MET A 42 -3.925 19.935 -6.481 1.00 0.00 C ATOM 612 C MET A 42 -2.536 19.340 -6.304 1.00 0.00 C ATOM 613 O MET A 42 -1.549 19.980 -6.590 1.00 0.00 O ATOM 614 CB MET A 42 -4.462 20.324 -5.139 1.00 0.00 C ATOM 615 CG MET A 42 -5.825 21.021 -5.286 1.00 0.00 C ATOM 616 SD MET A 42 -5.856 22.669 -6.037 1.00 0.00 S ATOM 617 CE MET A 42 -6.398 22.187 -7.698 1.00 0.00 C ATOM 0 H MET A 42 -5.732 18.803 -6.622 1.00 0.00 H new ATOM 0 HA MET A 42 -3.858 20.809 -7.129 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.565 19.439 -4.512 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.759 20.989 -4.638 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.471 20.372 -5.877 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.271 21.097 -4.294 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.008 22.896 -8.428 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.025 21.189 -7.927 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.487 22.186 -7.739 1.00 0.00 H new ATOM 627 N TRP A 43 -2.529 18.132 -5.811 1.00 0.00 N ATOM 628 CA TRP A 43 -1.284 17.362 -5.569 1.00 0.00 C ATOM 629 C TRP A 43 -0.444 17.385 -6.822 1.00 0.00 C ATOM 630 O TRP A 43 0.711 17.756 -6.786 1.00 0.00 O ATOM 631 CB TRP A 43 -1.675 15.940 -5.206 1.00 0.00 C ATOM 632 CG TRP A 43 -0.452 15.044 -5.200 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.223 14.121 -6.155 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.546 15.033 -4.300 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.919 13.594 -5.775 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.471 14.070 -4.669 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.748 15.791 -3.152 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.601 13.855 -3.893 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.880 15.579 -2.368 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.808 14.607 -2.741 1.00 0.00 C ATOM 0 H TRP A 43 -3.379 17.628 -5.556 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.702 17.795 -4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.150 15.925 -4.225 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.407 15.563 -5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.827 13.876 -7.016 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.363 12.848 -6.310 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.028 16.544 -2.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.320 13.103 -4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.038 16.165 -1.475 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.687 14.438 -2.136 1.00 0.00 H new ATOM 651 N ASN A 44 -1.088 16.996 -7.892 1.00 0.00 N ATOM 652 CA ASN A 44 -0.375 16.960 -9.203 1.00 0.00 C ATOM 653 C ASN A 44 0.255 18.328 -9.528 1.00 0.00 C ATOM 654 O ASN A 44 1.179 18.417 -10.312 1.00 0.00 O ATOM 655 CB ASN A 44 -1.378 16.525 -10.311 1.00 0.00 C ATOM 656 CG ASN A 44 -1.925 15.135 -9.929 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.213 14.928 -9.905 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.176 14.221 -9.647 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.065 16.705 -7.915 1.00 0.00 H new ATOM 0 HA ASN A 44 0.440 16.237 -9.152 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.191 17.246 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.883 16.488 -11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.166 14.366 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.557 13.309 -9.396 1.00 0.00 H new ATOM 665 N ASN A 45 -0.291 19.343 -8.901 1.00 0.00 N ATOM 666 CA ASN A 45 0.187 20.758 -9.080 1.00 0.00 C ATOM 667 C ASN A 45 0.491 21.431 -7.711 1.00 0.00 C ATOM 668 O ASN A 45 0.280 22.622 -7.566 1.00 0.00 O ATOM 669 CB ASN A 45 -0.916 21.568 -9.807 1.00 0.00 C ATOM 670 CG ASN A 45 -1.675 20.659 -10.778 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.907 20.362 -10.462 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.165 20.220 -11.789 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.072 19.249 -8.252 1.00 0.00 H new ATOM 0 HA ASN A 45 1.107 20.742 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.606 21.994 -9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.470 22.402 -10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.202 20.462 -12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.700 19.609 -12.406 1.00 0.00 H new ATOM 679 N THR A 46 0.983 20.693 -6.739 1.00 0.00 N ATOM 680 CA THR A 46 1.276 21.327 -5.407 1.00 0.00 C ATOM 681 C THR A 46 2.491 22.239 -5.560 1.00 0.00 C ATOM 682 O THR A 46 2.494 23.364 -5.099 1.00 0.00 O ATOM 683 CB THR A 46 1.539 20.202 -4.326 1.00 0.00 C ATOM 684 OG1 THR A 46 1.753 20.924 -3.120 1.00 0.00 O ATOM 685 CG2 THR A 46 2.856 19.401 -4.488 1.00 0.00 C ATOM 0 H THR A 46 1.192 19.697 -6.806 1.00 0.00 H new ATOM 0 HA THR A 46 0.425 21.920 -5.072 1.00 0.00 H new ATOM 0 HB THR A 46 0.706 19.501 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.534 20.559 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.931 18.659 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.860 18.898 -5.455 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.705 20.082 -4.430 1.00 0.00 H new ATOM 693 N ALA A 47 3.476 21.693 -6.215 1.00 0.00 N ATOM 694 CA ALA A 47 4.756 22.398 -6.485 1.00 0.00 C ATOM 695 C ALA A 47 5.638 21.419 -7.248 1.00 0.00 C ATOM 696 O ALA A 47 6.171 21.754 -8.287 1.00 0.00 O ATOM 697 CB ALA A 47 5.472 22.789 -5.171 1.00 0.00 C ATOM 0 H ALA A 47 3.442 20.745 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 47 4.565 23.313 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.405 23.303 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.829 23.450 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.687 21.890 -4.593 1.00 0.00 H new ATOM 703 N ALA A 48 5.731 20.252 -6.652 1.00 0.00 N ATOM 704 CA ALA A 48 6.523 19.066 -7.125 1.00 0.00 C ATOM 705 C ALA A 48 7.732 19.061 -6.177 1.00 0.00 C ATOM 706 O ALA A 48 8.278 18.035 -5.822 1.00 0.00 O ATOM 707 CB ALA A 48 7.023 19.210 -8.584 1.00 0.00 C ATOM 0 H ALA A 48 5.243 20.062 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 48 5.921 18.157 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.588 18.321 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.169 19.323 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.665 20.087 -8.664 1.00 0.00 H new ATOM 713 N ASP A 49 8.087 20.263 -5.795 1.00 0.00 N ATOM 714 CA ASP A 49 9.223 20.540 -4.876 1.00 0.00 C ATOM 715 C ASP A 49 8.671 20.479 -3.430 1.00 0.00 C ATOM 716 O ASP A 49 9.417 20.457 -2.471 1.00 0.00 O ATOM 717 CB ASP A 49 9.760 21.939 -5.260 1.00 0.00 C ATOM 718 CG ASP A 49 11.021 22.318 -4.464 1.00 0.00 C ATOM 719 OD1 ASP A 49 10.869 22.644 -3.297 1.00 0.00 O ATOM 720 OD2 ASP A 49 12.078 22.257 -5.073 1.00 0.00 O ATOM 0 H ASP A 49 7.603 21.106 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 49 10.040 19.822 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.986 21.959 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.984 22.684 -5.085 1.00 0.00 H new ATOM 725 N ASP A 50 7.363 20.444 -3.338 1.00 0.00 N ATOM 726 CA ASP A 50 6.640 20.380 -2.029 1.00 0.00 C ATOM 727 C ASP A 50 6.085 18.952 -1.875 1.00 0.00 C ATOM 728 O ASP A 50 5.421 18.635 -0.907 1.00 0.00 O ATOM 729 CB ASP A 50 5.486 21.407 -2.036 1.00 0.00 C ATOM 730 CG ASP A 50 4.724 21.382 -0.692 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.352 21.708 0.302 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.554 21.033 -0.738 1.00 0.00 O ATOM 0 H ASP A 50 6.745 20.458 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 50 7.306 20.614 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.883 22.406 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.800 21.185 -2.853 1.00 0.00 H new ATOM 737 N LYS A 51 6.392 18.129 -2.849 1.00 0.00 N ATOM 738 CA LYS A 51 5.936 16.710 -2.835 1.00 0.00 C ATOM 739 C LYS A 51 7.108 16.021 -2.184 1.00 0.00 C ATOM 740 O LYS A 51 6.901 15.260 -1.272 1.00 0.00 O ATOM 741 CB LYS A 51 5.772 16.104 -4.236 1.00 0.00 C ATOM 742 CG LYS A 51 4.583 16.704 -4.973 1.00 0.00 C ATOM 743 CD LYS A 51 4.476 15.988 -6.328 1.00 0.00 C ATOM 744 CE LYS A 51 3.317 16.553 -7.147 1.00 0.00 C ATOM 745 NZ LYS A 51 3.390 16.047 -8.547 1.00 0.00 N ATOM 0 H LYS A 51 6.948 18.388 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 51 4.966 16.610 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.681 16.272 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.642 15.025 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.668 16.573 -4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.720 17.776 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.408 16.103 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.329 14.920 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.367 16.265 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.354 17.642 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.598 16.436 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.290 16.343 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.333 15.009 -8.544 1.00 0.00 H new ATOM 759 N GLN A 52 8.283 16.316 -2.691 1.00 0.00 N ATOM 760 CA GLN A 52 9.573 15.746 -2.182 1.00 0.00 C ATOM 761 C GLN A 52 9.497 15.172 -0.744 1.00 0.00 C ATOM 762 O GLN A 52 9.724 13.990 -0.595 1.00 0.00 O ATOM 763 CB GLN A 52 10.652 16.878 -2.285 1.00 0.00 C ATOM 764 CG GLN A 52 11.839 16.471 -3.196 1.00 0.00 C ATOM 765 CD GLN A 52 11.430 16.172 -4.657 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.176 16.190 -5.026 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.272 15.909 -5.491 1.00 0.00 N flip ATOM 0 H GLN A 52 8.404 16.959 -3.474 1.00 0.00 H new ATOM 0 HA GLN A 52 9.833 14.884 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.190 17.784 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.025 17.115 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.579 17.271 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.322 15.589 -2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.258 15.888 -5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.993 15.709 -6.452 1.00 0.00 H new ATOM 776 N PRO A 53 9.184 15.970 0.260 1.00 0.00 N ATOM 777 CA PRO A 53 9.011 15.499 1.671 1.00 0.00 C ATOM 778 C PRO A 53 8.134 14.247 1.823 1.00 0.00 C ATOM 779 O PRO A 53 8.486 13.289 2.485 1.00 0.00 O ATOM 780 CB PRO A 53 8.434 16.719 2.405 1.00 0.00 C ATOM 781 CG PRO A 53 7.849 17.587 1.261 1.00 0.00 C ATOM 782 CD PRO A 53 8.918 17.436 0.173 1.00 0.00 C ATOM 0 HA PRO A 53 9.960 15.164 2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.666 16.430 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.204 17.254 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.875 17.225 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.717 18.626 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.555 17.734 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.807 18.032 0.379 1.00 0.00 H new ATOM 790 N TYR A 54 7.004 14.323 1.176 1.00 0.00 N ATOM 791 CA TYR A 54 5.999 13.217 1.197 1.00 0.00 C ATOM 792 C TYR A 54 6.442 12.090 0.265 1.00 0.00 C ATOM 793 O TYR A 54 6.513 10.939 0.651 1.00 0.00 O ATOM 794 CB TYR A 54 4.636 13.762 0.727 1.00 0.00 C ATOM 795 CG TYR A 54 4.139 14.901 1.630 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.945 14.708 2.982 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.871 16.144 1.093 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.491 15.734 3.782 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.416 17.173 1.889 1.00 0.00 C ATOM 800 CZ TYR A 54 3.221 16.978 3.242 1.00 0.00 C ATOM 801 OH TYR A 54 2.763 18.005 4.042 1.00 0.00 O ATOM 0 H TYR A 54 6.726 15.129 0.617 1.00 0.00 H new ATOM 0 HA TYR A 54 5.914 12.828 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.722 14.121 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.903 12.955 0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.151 13.742 3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.020 16.312 0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.345 15.565 4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.211 18.139 1.451 1.00 0.00 H new ATOM 0 HH TYR A 54 1.971 17.707 4.536 1.00 0.00 H new ATOM 811 N GLU A 55 6.720 12.472 -0.950 1.00 0.00 N ATOM 812 CA GLU A 55 7.166 11.497 -1.980 1.00 0.00 C ATOM 813 C GLU A 55 8.310 10.595 -1.506 1.00 0.00 C ATOM 814 O GLU A 55 8.191 9.388 -1.549 1.00 0.00 O ATOM 815 CB GLU A 55 7.577 12.303 -3.230 1.00 0.00 C ATOM 816 CG GLU A 55 6.665 11.893 -4.410 1.00 0.00 C ATOM 817 CD GLU A 55 7.103 12.627 -5.689 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.220 12.376 -6.110 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.298 13.401 -6.179 1.00 0.00 O ATOM 0 H GLU A 55 6.655 13.436 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 55 6.343 10.817 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.486 13.372 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.621 12.111 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.716 10.815 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.627 12.133 -4.180 1.00 0.00 H new ATOM 826 N LYS A 56 9.383 11.198 -1.070 1.00 0.00 N ATOM 827 CA LYS A 56 10.574 10.446 -0.575 1.00 0.00 C ATOM 828 C LYS A 56 10.173 9.301 0.375 1.00 0.00 C ATOM 829 O LYS A 56 10.762 8.236 0.364 1.00 0.00 O ATOM 830 CB LYS A 56 11.501 11.473 0.132 1.00 0.00 C ATOM 831 CG LYS A 56 12.770 10.833 0.755 1.00 0.00 C ATOM 832 CD LYS A 56 13.619 10.094 -0.312 1.00 0.00 C ATOM 833 CE LYS A 56 14.943 9.620 0.327 1.00 0.00 C ATOM 834 NZ LYS A 56 15.780 10.796 0.706 1.00 0.00 N ATOM 0 H LYS A 56 9.486 12.212 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 56 11.093 9.972 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.803 12.234 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.938 11.981 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.374 11.607 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.478 10.133 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.066 9.241 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.824 10.757 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.734 9.014 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.488 8.987 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.776 10.505 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.688 11.536 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.461 11.168 1.623 1.00 0.00 H new ATOM 848 N LYS A 57 9.155 9.561 1.159 1.00 0.00 N ATOM 849 CA LYS A 57 8.690 8.523 2.125 1.00 0.00 C ATOM 850 C LYS A 57 7.878 7.490 1.352 1.00 0.00 C ATOM 851 O LYS A 57 8.158 6.310 1.436 1.00 0.00 O ATOM 852 CB LYS A 57 7.851 9.222 3.216 1.00 0.00 C ATOM 853 CG LYS A 57 7.284 8.170 4.204 1.00 0.00 C ATOM 854 CD LYS A 57 7.097 8.795 5.607 1.00 0.00 C ATOM 855 CE LYS A 57 8.473 8.965 6.300 1.00 0.00 C ATOM 856 NZ LYS A 57 9.120 7.632 6.495 1.00 0.00 N ATOM 0 H LYS A 57 8.633 10.437 1.171 1.00 0.00 H new ATOM 0 HA LYS A 57 9.521 8.012 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.467 9.943 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.034 9.779 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.329 7.793 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.961 7.318 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.603 9.762 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.451 8.160 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.116 9.605 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.345 9.460 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.787 7.683 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.391 6.919 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.633 7.365 5.631 1.00 0.00 H new ATOM 870 N ALA A 58 6.893 7.960 0.628 1.00 0.00 N ATOM 871 CA ALA A 58 6.031 7.041 -0.184 1.00 0.00 C ATOM 872 C ALA A 58 6.912 6.002 -0.898 1.00 0.00 C ATOM 873 O ALA A 58 6.636 4.819 -0.867 1.00 0.00 O ATOM 874 CB ALA A 58 5.259 7.854 -1.221 1.00 0.00 C ATOM 0 H ALA A 58 6.646 8.947 0.563 1.00 0.00 H new ATOM 0 HA ALA A 58 5.329 6.528 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.632 7.187 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.632 8.588 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.962 8.368 -1.877 1.00 0.00 H new ATOM 880 N ALA A 59 7.955 6.505 -1.518 1.00 0.00 N ATOM 881 CA ALA A 59 8.925 5.649 -2.262 1.00 0.00 C ATOM 882 C ALA A 59 9.396 4.505 -1.362 1.00 0.00 C ATOM 883 O ALA A 59 9.148 3.354 -1.665 1.00 0.00 O ATOM 884 CB ALA A 59 10.123 6.521 -2.692 1.00 0.00 C ATOM 0 H ALA A 59 8.176 7.501 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 59 8.450 5.222 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.841 5.909 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.773 7.329 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.602 6.942 -1.808 1.00 0.00 H new ATOM 890 N LYS A 60 10.052 4.881 -0.288 1.00 0.00 N ATOM 891 CA LYS A 60 10.586 3.900 0.710 1.00 0.00 C ATOM 892 C LYS A 60 9.568 2.792 0.987 1.00 0.00 C ATOM 893 O LYS A 60 9.883 1.622 0.942 1.00 0.00 O ATOM 894 CB LYS A 60 10.926 4.653 2.028 1.00 0.00 C ATOM 895 CG LYS A 60 11.412 3.668 3.142 1.00 0.00 C ATOM 896 CD LYS A 60 12.765 2.993 2.790 1.00 0.00 C ATOM 897 CE LYS A 60 13.936 3.991 2.948 1.00 0.00 C ATOM 898 NZ LYS A 60 14.075 4.403 4.379 1.00 0.00 N ATOM 0 H LYS A 60 10.244 5.856 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 60 11.485 3.436 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.700 5.396 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.046 5.193 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.514 4.210 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.656 2.899 3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.926 2.132 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.735 2.620 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.863 3.533 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.762 4.868 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.040 4.752 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.392 5.158 4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.889 3.586 4.995 1.00 0.00 H new ATOM 912 N LEU A 61 8.366 3.218 1.267 1.00 0.00 N ATOM 913 CA LEU A 61 7.267 2.254 1.566 1.00 0.00 C ATOM 914 C LEU A 61 6.925 1.349 0.384 1.00 0.00 C ATOM 915 O LEU A 61 7.013 0.148 0.546 1.00 0.00 O ATOM 916 CB LEU A 61 6.058 3.086 2.018 1.00 0.00 C ATOM 917 CG LEU A 61 6.524 3.991 3.200 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.376 4.892 3.625 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.042 3.138 4.394 1.00 0.00 C ATOM 0 H LEU A 61 8.096 4.201 1.302 1.00 0.00 H new ATOM 0 HA LEU A 61 7.584 1.567 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.682 3.694 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.242 2.436 2.332 1.00 0.00 H new ATOM 0 HG LEU A 61 7.357 4.610 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.698 5.526 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.073 5.517 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.532 4.280 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.359 3.798 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.243 2.487 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.887 2.531 4.068 1.00 0.00 H new ATOM 931 N LYS A 62 6.545 1.894 -0.750 1.00 0.00 N ATOM 932 CA LYS A 62 6.212 1.020 -1.933 1.00 0.00 C ATOM 933 C LYS A 62 7.318 -0.040 -2.069 1.00 0.00 C ATOM 934 O LYS A 62 7.085 -1.231 -2.097 1.00 0.00 O ATOM 935 CB LYS A 62 6.175 1.838 -3.244 1.00 0.00 C ATOM 936 CG LYS A 62 5.081 2.925 -3.222 1.00 0.00 C ATOM 937 CD LYS A 62 5.055 3.680 -4.577 1.00 0.00 C ATOM 938 CE LYS A 62 4.654 2.735 -5.739 1.00 0.00 C ATOM 939 NZ LYS A 62 3.338 2.087 -5.466 1.00 0.00 N ATOM 0 H LYS A 62 6.450 2.897 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 62 5.232 0.571 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.146 2.306 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.001 1.166 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.109 2.470 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.270 3.626 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.351 4.510 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.037 4.109 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.600 3.299 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.420 1.971 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.969 1.668 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.460 1.342 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.667 2.799 -5.114 1.00 0.00 H new