USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 755 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 94 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 134:sc= -0.0461 (180deg=-1.17) USER MOD Set 2.1: A 82 SER OG : rot -179:sc= 0.35 USER MOD Set 2.2: A 84 SER OG : rot -69:sc= 0.354 USER MOD Set 3.1: A 30 CYS SG : rot 34:sc= 0.844 USER MOD Set 3.2: A 33 CYS SG : rot -49:sc= -2.52 USER MOD Set 3.3: A 64 HIS : no HE2:sc= -5.41! C(o=-7.1!,f=-8.4!) USER MOD Set 3.4: A 67 CYS SG : rot -171:sc= -0.0568 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc=-0.00181 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.237 K(o=0.24,f=-3.8!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= 0.86 (180deg=0.0845) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.317) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00518) USER MOD Single : A 41 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0271 (180deg=-0.32) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -153:sc= -0.551 (180deg=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ -111:sc= -0.351 (180deg=-1.56!) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 58 MET CE :methyl 165:sc= -6.49! (180deg=-7.69!) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.32 F(o=-1.6,f=0.32) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.616) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.604 K(o=-0.6,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.705 13.725 -3.334 1.00 0.00 N ATOM 132 CA LYS A 13 16.796 13.600 -4.466 1.00 0.00 C ATOM 133 C LYS A 13 15.959 12.329 -4.355 1.00 0.00 C ATOM 134 O LYS A 13 15.998 11.468 -5.234 1.00 0.00 O ATOM 135 CB LYS A 13 17.581 13.593 -5.779 1.00 0.00 C ATOM 136 CG LYS A 13 18.085 14.964 -6.195 1.00 0.00 C ATOM 137 CD LYS A 13 19.265 14.860 -7.147 1.00 0.00 C ATOM 138 CE LYS A 13 19.644 16.219 -7.715 1.00 0.00 C ATOM 139 NZ LYS A 13 20.424 16.095 -8.977 1.00 0.00 N ATOM 0 HA LYS A 13 16.124 14.458 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.431 12.917 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.946 13.193 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.278 15.519 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.379 15.528 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 13 20.120 14.432 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 13 19.017 14.180 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.740 16.799 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 13 20.230 16.770 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.663 17.043 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.299 15.563 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.856 15.592 -9.688 1.00 0.00 H new ATOM 153 N THR A 14 15.201 12.219 -3.268 1.00 0.00 N ATOM 154 CA THR A 14 14.355 11.054 -3.042 1.00 0.00 C ATOM 155 C THR A 14 12.979 11.465 -2.531 1.00 0.00 C ATOM 156 O THR A 14 12.840 12.468 -1.830 1.00 0.00 O ATOM 157 CB THR A 14 14.996 10.082 -2.033 1.00 0.00 C ATOM 158 OG1 THR A 14 16.407 9.998 -2.262 1.00 0.00 O ATOM 159 CG2 THR A 14 14.375 8.697 -2.147 1.00 0.00 C ATOM 0 H THR A 14 15.156 12.923 -2.531 1.00 0.00 H new ATOM 0 HA THR A 14 14.247 10.550 -4.002 1.00 0.00 H new ATOM 0 HB THR A 14 14.814 10.463 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.807 9.379 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.843 8.028 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.306 8.760 -1.943 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.530 8.310 -3.154 1.00 0.00 H new ATOM 167 N LEU A 15 11.964 10.684 -2.885 1.00 0.00 N ATOM 168 CA LEU A 15 10.597 10.966 -2.461 1.00 0.00 C ATOM 169 C LEU A 15 10.293 10.298 -1.124 1.00 0.00 C ATOM 170 O LEU A 15 10.422 9.083 -0.982 1.00 0.00 O ATOM 171 CB LEU A 15 9.604 10.488 -3.521 1.00 0.00 C ATOM 172 CG LEU A 15 9.735 11.131 -4.902 1.00 0.00 C ATOM 173 CD1 LEU A 15 9.149 10.223 -5.972 1.00 0.00 C ATOM 174 CD2 LEU A 15 9.053 12.492 -4.923 1.00 0.00 C ATOM 0 H LEU A 15 12.062 9.850 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 15 10.496 12.044 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.714 9.409 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.594 10.669 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 15 10.794 11.274 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.251 10.698 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.681 9.272 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.094 10.048 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.156 12.935 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.996 12.373 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.519 13.144 -4.184 1.00 0.00 H new ATOM 186 N GLY A 16 9.885 11.101 -0.146 1.00 0.00 N ATOM 187 CA GLY A 16 9.566 10.569 1.166 1.00 0.00 C ATOM 188 C GLY A 16 8.174 9.973 1.227 1.00 0.00 C ATOM 189 O GLY A 16 7.982 8.882 1.765 1.00 0.00 O ATOM 0 H GLY A 16 9.770 12.110 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.297 9.805 1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.650 11.364 1.907 1.00 0.00 H new ATOM 193 N ASP A 17 7.201 10.689 0.676 1.00 0.00 N ATOM 194 CA ASP A 17 5.818 10.224 0.671 1.00 0.00 C ATOM 195 C ASP A 17 5.706 8.862 -0.006 1.00 0.00 C ATOM 196 O ASP A 17 4.976 7.985 0.458 1.00 0.00 O ATOM 197 CB ASP A 17 4.920 11.237 -0.041 1.00 0.00 C ATOM 198 CG ASP A 17 5.171 12.659 0.422 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.277 12.873 1.647 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.259 13.558 -0.441 1.00 0.00 O ATOM 0 H ASP A 17 7.343 11.594 0.227 1.00 0.00 H new ATOM 0 HA ASP A 17 5.490 10.124 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.087 11.173 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.876 10.979 0.135 1.00 0.00 H new ATOM 205 N PHE A 18 6.432 8.691 -1.106 1.00 0.00 N ATOM 206 CA PHE A 18 6.412 7.436 -1.848 1.00 0.00 C ATOM 207 C PHE A 18 7.663 6.613 -1.558 1.00 0.00 C ATOM 208 O PHE A 18 8.761 7.156 -1.433 1.00 0.00 O ATOM 209 CB PHE A 18 6.304 7.709 -3.350 1.00 0.00 C ATOM 210 CG PHE A 18 5.095 8.517 -3.727 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.886 7.896 -3.994 1.00 0.00 C ATOM 212 CD2 PHE A 18 5.169 9.898 -3.815 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.772 8.637 -4.341 1.00 0.00 C ATOM 214 CE2 PHE A 18 4.058 10.644 -4.161 1.00 0.00 C ATOM 215 CZ PHE A 18 2.858 10.013 -4.425 1.00 0.00 C ATOM 0 H PHE A 18 7.042 9.406 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 18 5.541 6.866 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.200 8.234 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.277 6.759 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.813 6.820 -3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.105 10.397 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.835 8.141 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.128 11.720 -4.225 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.989 10.594 -4.696 1.00 0.00 H new ATOM 225 N ALA A 19 7.489 5.300 -1.452 1.00 0.00 N ATOM 226 CA ALA A 19 8.604 4.401 -1.178 1.00 0.00 C ATOM 227 C ALA A 19 8.303 2.989 -1.669 1.00 0.00 C ATOM 228 O ALA A 19 7.190 2.490 -1.508 1.00 0.00 O ATOM 229 CB ALA A 19 8.918 4.389 0.311 1.00 0.00 C ATOM 0 H ALA A 19 6.587 4.835 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 19 9.476 4.767 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.752 3.714 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.184 5.395 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.043 4.049 0.865 1.00 0.00 H new ATOM 235 N ALA A 20 9.303 2.350 -2.268 1.00 0.00 N ATOM 236 CA ALA A 20 9.145 0.995 -2.781 1.00 0.00 C ATOM 237 C ALA A 20 10.237 0.075 -2.245 1.00 0.00 C ATOM 238 O ALA A 20 11.424 0.381 -2.347 1.00 0.00 O ATOM 239 CB ALA A 20 9.159 1.002 -4.302 1.00 0.00 C ATOM 0 H ALA A 20 10.231 2.749 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 20 8.183 0.613 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.040 -0.016 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.340 1.620 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.107 1.408 -4.655 1.00 0.00 H new ATOM 245 N GLU A 21 9.825 -1.052 -1.672 1.00 0.00 N ATOM 246 CA GLU A 21 10.770 -2.015 -1.118 1.00 0.00 C ATOM 247 C GLU A 21 10.097 -3.365 -0.886 1.00 0.00 C ATOM 248 O GLU A 21 8.902 -3.526 -1.136 1.00 0.00 O ATOM 249 CB GLU A 21 11.355 -1.492 0.196 1.00 0.00 C ATOM 250 CG GLU A 21 10.302 -1.131 1.230 1.00 0.00 C ATOM 251 CD GLU A 21 10.859 -0.290 2.361 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.605 -0.841 3.198 1.00 0.00 O ATOM 253 OE2 GLU A 21 10.551 0.919 2.410 1.00 0.00 O ATOM 0 H GLU A 21 8.845 -1.320 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 21 11.577 -2.149 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.019 -2.248 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.964 -0.613 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.492 -0.588 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.872 -2.045 1.640 1.00 0.00 H new ATOM 260 N TYR A 22 10.872 -4.332 -0.407 1.00 0.00 N ATOM 261 CA TYR A 22 10.353 -5.668 -0.144 1.00 0.00 C ATOM 262 C TYR A 22 9.463 -5.673 1.095 1.00 0.00 C ATOM 263 O TYR A 22 9.862 -5.207 2.161 1.00 0.00 O ATOM 264 CB TYR A 22 11.504 -6.659 0.038 1.00 0.00 C ATOM 265 CG TYR A 22 12.513 -6.628 -1.088 1.00 0.00 C ATOM 266 CD1 TYR A 22 12.118 -6.815 -2.407 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.862 -6.411 -0.833 1.00 0.00 C ATOM 268 CE1 TYR A 22 13.037 -6.788 -3.438 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.787 -6.381 -1.858 1.00 0.00 C ATOM 270 CZ TYR A 22 14.370 -6.571 -3.159 1.00 0.00 C ATOM 271 OH TYR A 22 15.288 -6.542 -4.184 1.00 0.00 O ATOM 0 H TYR A 22 11.862 -4.215 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 22 9.753 -5.972 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 22 12.013 -6.443 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.096 -7.666 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.075 -6.984 -2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 22 14.193 -6.263 0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.713 -6.936 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.831 -6.210 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 22 16.182 -6.378 -3.818 1.00 0.00 H new ATOM 281 N ALA A 23 8.254 -6.204 0.944 1.00 0.00 N ATOM 282 CA ALA A 23 7.307 -6.273 2.050 1.00 0.00 C ATOM 283 C ALA A 23 7.897 -7.035 3.232 1.00 0.00 C ATOM 284 O ALA A 23 7.784 -8.258 3.314 1.00 0.00 O ATOM 285 CB ALA A 23 6.009 -6.924 1.595 1.00 0.00 C ATOM 0 H ALA A 23 7.907 -6.592 0.067 1.00 0.00 H new ATOM 0 HA ALA A 23 7.095 -5.255 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.312 -6.969 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.571 -6.337 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.214 -7.934 1.239 1.00 0.00 H new ATOM 291 N LYS A 24 8.528 -6.305 4.145 1.00 0.00 N ATOM 292 CA LYS A 24 9.136 -6.911 5.324 1.00 0.00 C ATOM 293 C LYS A 24 8.248 -8.015 5.888 1.00 0.00 C ATOM 294 O LYS A 24 8.709 -9.128 6.140 1.00 0.00 O ATOM 295 CB LYS A 24 9.391 -5.849 6.395 1.00 0.00 C ATOM 296 CG LYS A 24 10.714 -5.121 6.229 1.00 0.00 C ATOM 297 CD LYS A 24 11.212 -4.561 7.550 1.00 0.00 C ATOM 298 CE LYS A 24 10.507 -3.260 7.905 1.00 0.00 C ATOM 299 NZ LYS A 24 10.948 -2.733 9.226 1.00 0.00 N ATOM 0 H LYS A 24 8.632 -5.292 4.091 1.00 0.00 H new ATOM 0 HA LYS A 24 10.087 -7.352 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.580 -5.121 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.367 -6.322 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.458 -5.805 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.596 -4.310 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.048 -5.292 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.287 -4.390 7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.706 -2.517 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.429 -3.423 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.445 -1.846 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.736 -3.431 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.972 -2.553 9.204 1.00 0.00 H new ATOM 313 N SER A 25 6.971 -7.699 6.082 1.00 0.00 N ATOM 314 CA SER A 25 6.018 -8.664 6.618 1.00 0.00 C ATOM 315 C SER A 25 4.758 -8.719 5.759 1.00 0.00 C ATOM 316 O SER A 25 4.497 -7.817 4.964 1.00 0.00 O ATOM 317 CB SER A 25 5.651 -8.303 8.059 1.00 0.00 C ATOM 318 OG SER A 25 6.610 -8.810 8.971 1.00 0.00 O ATOM 0 H SER A 25 6.573 -6.783 5.876 1.00 0.00 H new ATOM 0 HA SER A 25 6.488 -9.647 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.585 -7.220 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.667 -8.706 8.299 1.00 0.00 H new ATOM 0 HG SER A 25 6.354 -8.565 9.885 1.00 0.00 H new ATOM 324 N ASN A 26 3.982 -9.784 5.926 1.00 0.00 N ATOM 325 CA ASN A 26 2.749 -9.958 5.166 1.00 0.00 C ATOM 326 C ASN A 26 1.543 -9.480 5.969 1.00 0.00 C ATOM 327 O ASN A 26 0.526 -10.169 6.050 1.00 0.00 O ATOM 328 CB ASN A 26 2.568 -11.427 4.778 1.00 0.00 C ATOM 329 CG ASN A 26 2.956 -12.373 5.897 1.00 0.00 C ATOM 330 OD1 ASN A 26 2.983 -11.991 7.067 1.00 0.00 O ATOM 331 ND2 ASN A 26 3.259 -13.616 5.542 1.00 0.00 N ATOM 0 H ASN A 26 4.184 -10.540 6.580 1.00 0.00 H new ATOM 0 HA ASN A 26 2.822 -9.356 4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.528 -11.602 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.172 -11.644 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.528 -14.298 6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.223 -13.889 4.560 1.00 0.00 H new ATOM 338 N ARG A 27 1.664 -8.297 6.561 1.00 0.00 N ATOM 339 CA ARG A 27 0.585 -7.727 7.358 1.00 0.00 C ATOM 340 C ARG A 27 -0.182 -6.675 6.562 1.00 0.00 C ATOM 341 O ARG A 27 -1.411 -6.707 6.495 1.00 0.00 O ATOM 342 CB ARG A 27 1.142 -7.105 8.640 1.00 0.00 C ATOM 343 CG ARG A 27 1.833 -8.106 9.552 1.00 0.00 C ATOM 344 CD ARG A 27 0.845 -9.110 10.127 1.00 0.00 C ATOM 345 NE ARG A 27 1.515 -10.164 10.885 1.00 0.00 N ATOM 346 CZ ARG A 27 0.993 -11.368 11.088 1.00 0.00 C ATOM 347 NH1 ARG A 27 -0.199 -11.669 10.592 1.00 0.00 N ATOM 348 NH2 ARG A 27 1.663 -12.274 11.787 1.00 0.00 N ATOM 0 H ARG A 27 2.499 -7.714 6.504 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.102 -8.531 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.849 -6.319 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.328 -6.630 9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.607 -8.634 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.330 -7.577 10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.137 -8.592 10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.269 -9.556 9.317 1.00 0.00 H new ATOM 0 HE ARG A 27 2.434 -9.964 11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.717 -10.975 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.598 -12.594 10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.581 -12.047 12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.261 -13.198 11.942 1.00 0.00 H new ATOM 362 N SER A 28 0.551 -5.744 5.961 1.00 0.00 N ATOM 363 CA SER A 28 -0.060 -4.680 5.173 1.00 0.00 C ATOM 364 C SER A 28 -1.091 -5.247 4.202 1.00 0.00 C ATOM 365 O SER A 28 -0.928 -6.349 3.676 1.00 0.00 O ATOM 366 CB SER A 28 1.012 -3.908 4.402 1.00 0.00 C ATOM 367 OG SER A 28 2.029 -3.440 5.271 1.00 0.00 O ATOM 0 H SER A 28 1.569 -5.705 6.005 1.00 0.00 H new ATOM 0 HA SER A 28 -0.566 -4.000 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.449 -4.551 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.555 -3.064 3.884 1.00 0.00 H new ATOM 0 HG SER A 28 2.702 -2.951 4.753 1.00 0.00 H new ATOM 373 N THR A 29 -2.155 -4.485 3.967 1.00 0.00 N ATOM 374 CA THR A 29 -3.215 -4.910 3.061 1.00 0.00 C ATOM 375 C THR A 29 -3.640 -3.773 2.140 1.00 0.00 C ATOM 376 O THR A 29 -3.956 -2.674 2.598 1.00 0.00 O ATOM 377 CB THR A 29 -4.447 -5.416 3.835 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.041 -6.339 4.852 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.437 -6.089 2.897 1.00 0.00 C ATOM 0 H THR A 29 -2.305 -3.570 4.392 1.00 0.00 H new ATOM 0 HA THR A 29 -2.810 -5.726 2.463 1.00 0.00 H new ATOM 0 HB THR A 29 -4.936 -4.558 4.298 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.830 -6.655 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.298 -6.438 3.467 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.766 -5.375 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.957 -6.937 2.409 1.00 0.00 H new ATOM 387 N CYS A 30 -3.646 -4.042 0.839 1.00 0.00 N ATOM 388 CA CYS A 30 -4.032 -3.041 -0.148 1.00 0.00 C ATOM 389 C CYS A 30 -5.494 -2.641 0.027 1.00 0.00 C ATOM 390 O CYS A 30 -6.318 -3.438 0.475 1.00 0.00 O ATOM 391 CB CYS A 30 -3.804 -3.575 -1.564 1.00 0.00 C ATOM 392 SG CYS A 30 -4.197 -2.381 -2.882 1.00 0.00 S ATOM 0 H CYS A 30 -3.388 -4.946 0.443 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.411 -2.158 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.762 -3.879 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.411 -4.469 -1.706 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.911 -1.179 -2.478 1.00 0.00 H new ATOM 397 N LYS A 31 -5.809 -1.401 -0.331 1.00 0.00 N ATOM 398 CA LYS A 31 -7.171 -0.893 -0.216 1.00 0.00 C ATOM 399 C LYS A 31 -7.896 -0.974 -1.555 1.00 0.00 C ATOM 400 O LYS A 31 -9.117 -1.122 -1.603 1.00 0.00 O ATOM 401 CB LYS A 31 -7.157 0.554 0.282 1.00 0.00 C ATOM 402 CG LYS A 31 -8.516 1.231 0.222 1.00 0.00 C ATOM 403 CD LYS A 31 -9.355 0.906 1.447 1.00 0.00 C ATOM 404 CE LYS A 31 -10.763 1.470 1.323 1.00 0.00 C ATOM 405 NZ LYS A 31 -10.831 2.892 1.760 1.00 0.00 N ATOM 0 H LYS A 31 -5.139 -0.728 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.704 -1.513 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.796 0.572 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.448 1.128 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.383 2.310 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.043 0.911 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.405 -0.175 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.875 1.314 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.096 1.392 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.448 0.872 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.771 3.087 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.103 3.069 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.667 3.514 0.943 1.00 0.00 H new ATOM 419 N GLY A 32 -7.137 -0.876 -2.642 1.00 0.00 N ATOM 420 CA GLY A 32 -7.725 -0.942 -3.967 1.00 0.00 C ATOM 421 C GLY A 32 -8.382 -2.279 -4.244 1.00 0.00 C ATOM 422 O GLY A 32 -9.552 -2.338 -4.624 1.00 0.00 O ATOM 0 H GLY A 32 -6.125 -0.752 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.465 -0.148 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.952 -0.759 -4.714 1.00 0.00 H new ATOM 426 N CYS A 33 -7.629 -3.357 -4.054 1.00 0.00 N ATOM 427 CA CYS A 33 -8.144 -4.701 -4.288 1.00 0.00 C ATOM 428 C CYS A 33 -8.592 -5.347 -2.980 1.00 0.00 C ATOM 429 O CYS A 33 -9.215 -6.408 -2.981 1.00 0.00 O ATOM 430 CB CYS A 33 -7.078 -5.569 -4.959 1.00 0.00 C ATOM 431 SG CYS A 33 -5.481 -5.595 -4.084 1.00 0.00 S ATOM 0 H CYS A 33 -6.660 -3.326 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.007 -4.622 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.453 -6.589 -5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.918 -5.208 -5.975 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.112 -4.377 -3.818 1.00 0.00 H new ATOM 436 N MET A 34 -8.269 -4.699 -1.865 1.00 0.00 N ATOM 437 CA MET A 34 -8.638 -5.209 -0.550 1.00 0.00 C ATOM 438 C MET A 34 -8.102 -6.623 -0.345 1.00 0.00 C ATOM 439 O MET A 34 -8.831 -7.516 0.085 1.00 0.00 O ATOM 440 CB MET A 34 -10.159 -5.200 -0.385 1.00 0.00 C ATOM 441 CG MET A 34 -10.709 -3.870 0.105 1.00 0.00 C ATOM 442 SD MET A 34 -12.509 -3.792 0.029 1.00 0.00 S ATOM 443 CE MET A 34 -12.749 -2.128 -0.588 1.00 0.00 C ATOM 0 H MET A 34 -7.752 -3.820 -1.846 1.00 0.00 H new ATOM 0 HA MET A 34 -8.193 -4.558 0.203 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.621 -5.445 -1.341 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.445 -5.983 0.317 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.385 -3.704 1.132 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.289 -3.064 -0.496 1.00 0.00 H new ATOM 0 HE1 MET A 34 -13.816 -1.928 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.311 -1.414 0.110 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.267 -2.027 -1.560 1.00 0.00 H new ATOM 453 N GLU A 35 -6.824 -6.817 -0.656 1.00 0.00 N ATOM 454 CA GLU A 35 -6.192 -8.122 -0.506 1.00 0.00 C ATOM 455 C GLU A 35 -4.857 -8.000 0.222 1.00 0.00 C ATOM 456 O GLU A 35 -4.116 -7.036 0.027 1.00 0.00 O ATOM 457 CB GLU A 35 -5.981 -8.772 -1.876 1.00 0.00 C ATOM 458 CG GLU A 35 -4.645 -8.429 -2.512 1.00 0.00 C ATOM 459 CD GLU A 35 -4.568 -8.845 -3.968 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.371 -8.333 -4.776 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.704 -9.684 -4.300 1.00 0.00 O ATOM 0 H GLU A 35 -6.207 -6.088 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.854 -8.751 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.057 -9.854 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.783 -8.460 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.476 -7.355 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.846 -8.918 -1.955 1.00 0.00 H new ATOM 468 N LYS A 36 -4.556 -8.984 1.063 1.00 0.00 N ATOM 469 CA LYS A 36 -3.310 -8.989 1.821 1.00 0.00 C ATOM 470 C LYS A 36 -2.106 -8.878 0.890 1.00 0.00 C ATOM 471 O LYS A 36 -2.163 -9.297 -0.266 1.00 0.00 O ATOM 472 CB LYS A 36 -3.204 -10.265 2.659 1.00 0.00 C ATOM 473 CG LYS A 36 -3.473 -11.535 1.870 1.00 0.00 C ATOM 474 CD LYS A 36 -2.196 -12.099 1.270 1.00 0.00 C ATOM 475 CE LYS A 36 -1.308 -12.722 2.336 1.00 0.00 C ATOM 476 NZ LYS A 36 -0.158 -13.456 1.740 1.00 0.00 N ATOM 0 H LYS A 36 -5.158 -9.789 1.237 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.314 -8.125 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.206 -10.322 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.910 -10.205 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.930 -12.280 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.188 -11.326 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.446 -12.849 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.651 -11.305 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.936 -11.942 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.898 -13.406 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.574 -13.601 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.481 -14.378 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.238 -12.902 0.954 1.00 0.00 H new ATOM 490 N ILE A 37 -1.019 -8.312 1.403 1.00 0.00 N ATOM 491 CA ILE A 37 0.199 -8.149 0.618 1.00 0.00 C ATOM 492 C ILE A 37 1.246 -9.188 1.005 1.00 0.00 C ATOM 493 O ILE A 37 1.772 -9.168 2.117 1.00 0.00 O ATOM 494 CB ILE A 37 0.799 -6.742 0.795 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.207 -5.676 0.354 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.094 -6.615 0.007 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.040 -4.319 0.975 1.00 0.00 C ATOM 0 H ILE A 37 -0.956 -7.959 2.358 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.079 -8.288 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 37 1.023 -6.589 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.172 -5.582 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.213 -6.008 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.506 -5.615 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.811 -7.354 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.894 -6.785 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.710 -3.613 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.024 -4.398 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.033 -3.966 0.695 1.00 0.00 H new ATOM 509 N GLU A 38 1.543 -10.094 0.078 1.00 0.00 N ATOM 510 CA GLU A 38 2.529 -11.141 0.323 1.00 0.00 C ATOM 511 C GLU A 38 3.830 -10.549 0.856 1.00 0.00 C ATOM 512 O GLU A 38 4.170 -9.402 0.563 1.00 0.00 O ATOM 513 CB GLU A 38 2.801 -11.926 -0.962 1.00 0.00 C ATOM 514 CG GLU A 38 1.575 -12.632 -1.515 1.00 0.00 C ATOM 515 CD GLU A 38 1.697 -12.940 -2.995 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.048 -12.022 -3.765 1.00 0.00 O ATOM 517 OE2 GLU A 38 1.442 -14.100 -3.382 1.00 0.00 O ATOM 0 H GLU A 38 1.116 -10.124 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 38 2.124 -11.818 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.190 -11.244 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.579 -12.665 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.417 -13.560 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.696 -12.009 -1.349 1.00 0.00 H new ATOM 524 N LYS A 39 4.554 -11.338 1.642 1.00 0.00 N ATOM 525 CA LYS A 39 5.819 -10.895 2.217 1.00 0.00 C ATOM 526 C LYS A 39 6.937 -10.954 1.181 1.00 0.00 C ATOM 527 O LYS A 39 7.103 -11.957 0.488 1.00 0.00 O ATOM 528 CB LYS A 39 6.183 -11.759 3.427 1.00 0.00 C ATOM 529 CG LYS A 39 7.531 -11.413 4.037 1.00 0.00 C ATOM 530 CD LYS A 39 8.115 -12.590 4.800 1.00 0.00 C ATOM 531 CE LYS A 39 9.453 -12.235 5.431 1.00 0.00 C ATOM 532 NZ LYS A 39 10.536 -12.132 4.413 1.00 0.00 N ATOM 0 H LYS A 39 4.286 -12.289 1.896 1.00 0.00 H new ATOM 0 HA LYS A 39 5.701 -9.861 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.410 -11.649 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.187 -12.807 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.221 -11.110 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.420 -10.562 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.417 -12.904 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.243 -13.436 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.364 -11.288 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.719 -12.992 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.438 -11.922 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.616 -13.032 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.311 -11.369 3.743 1.00 0.00 H new ATOM 546 N GLY A 40 7.705 -9.873 1.083 1.00 0.00 N ATOM 547 CA GLY A 40 8.799 -9.823 0.131 1.00 0.00 C ATOM 548 C GLY A 40 8.403 -9.158 -1.173 1.00 0.00 C ATOM 549 O GLY A 40 9.177 -8.389 -1.743 1.00 0.00 O ATOM 0 H GLY A 40 7.589 -9.031 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.636 -9.281 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.146 -10.836 -0.072 1.00 0.00 H new ATOM 553 N GLN A 41 7.198 -9.456 -1.646 1.00 0.00 N ATOM 554 CA GLN A 41 6.703 -8.882 -2.892 1.00 0.00 C ATOM 555 C GLN A 41 6.793 -7.360 -2.863 1.00 0.00 C ATOM 556 O GLN A 41 6.405 -6.723 -1.884 1.00 0.00 O ATOM 557 CB GLN A 41 5.257 -9.316 -3.138 1.00 0.00 C ATOM 558 CG GLN A 41 5.115 -10.786 -3.497 1.00 0.00 C ATOM 559 CD GLN A 41 5.823 -11.142 -4.789 1.00 0.00 C ATOM 560 OE1 GLN A 41 6.762 -11.939 -4.797 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.375 -10.553 -5.892 1.00 0.00 N ATOM 0 H GLN A 41 6.546 -10.091 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 41 7.328 -9.249 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.668 -9.110 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.837 -8.712 -3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.517 -11.394 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.057 -11.034 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.594 -9.899 -5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.812 -10.755 -6.791 1.00 0.00 H new ATOM 570 N VAL A 42 7.307 -6.783 -3.945 1.00 0.00 N ATOM 571 CA VAL A 42 7.447 -5.335 -4.044 1.00 0.00 C ATOM 572 C VAL A 42 6.162 -4.628 -3.626 1.00 0.00 C ATOM 573 O VAL A 42 5.061 -5.093 -3.922 1.00 0.00 O ATOM 574 CB VAL A 42 7.814 -4.904 -5.477 1.00 0.00 C ATOM 575 CG1 VAL A 42 7.846 -3.387 -5.586 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.150 -5.504 -5.888 1.00 0.00 C ATOM 0 H VAL A 42 7.633 -7.296 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 42 8.252 -5.048 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 42 7.049 -5.278 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.107 -3.101 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.865 -2.983 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.589 -2.988 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.393 -5.189 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.928 -5.162 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.087 -6.592 -5.851 1.00 0.00 H new ATOM 586 N ARG A 43 6.310 -3.502 -2.937 1.00 0.00 N ATOM 587 CA ARG A 43 5.162 -2.730 -2.477 1.00 0.00 C ATOM 588 C ARG A 43 5.405 -1.235 -2.655 1.00 0.00 C ATOM 589 O ARG A 43 6.503 -0.812 -3.019 1.00 0.00 O ATOM 590 CB ARG A 43 4.868 -3.039 -1.008 1.00 0.00 C ATOM 591 CG ARG A 43 5.972 -2.598 -0.061 1.00 0.00 C ATOM 592 CD ARG A 43 5.662 -2.987 1.376 1.00 0.00 C ATOM 593 NE ARG A 43 6.828 -2.848 2.245 1.00 0.00 N ATOM 594 CZ ARG A 43 6.763 -2.875 3.571 1.00 0.00 C ATOM 595 NH1 ARG A 43 5.596 -3.035 4.179 1.00 0.00 N ATOM 596 NH2 ARG A 43 7.869 -2.741 4.293 1.00 0.00 N ATOM 0 H ARG A 43 7.214 -3.103 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 43 4.300 -3.014 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.938 -2.549 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.711 -4.112 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.916 -3.050 -0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.099 -1.518 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.852 -2.363 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.310 -4.018 1.404 1.00 0.00 H new ATOM 0 HE ARG A 43 7.742 -2.723 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.744 -3.138 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.550 -3.055 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.769 -2.617 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.819 -2.762 5.312 1.00 0.00 H new ATOM 610 N LEU A 44 4.373 -0.438 -2.397 1.00 0.00 N ATOM 611 CA LEU A 44 4.474 1.011 -2.529 1.00 0.00 C ATOM 612 C LEU A 44 3.578 1.714 -1.513 1.00 0.00 C ATOM 613 O LEU A 44 2.378 1.450 -1.441 1.00 0.00 O ATOM 614 CB LEU A 44 4.092 1.442 -3.946 1.00 0.00 C ATOM 615 CG LEU A 44 4.951 0.871 -5.075 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.130 0.722 -6.347 1.00 0.00 C ATOM 617 CD2 LEU A 44 6.164 1.756 -5.322 1.00 0.00 C ATOM 0 H LEU A 44 3.457 -0.771 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 44 5.508 1.297 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.056 1.156 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.136 2.530 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 44 5.302 -0.117 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.758 0.314 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.294 0.048 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.750 1.697 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.764 1.334 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.834 2.757 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.765 1.812 -4.414 1.00 0.00 H new ATOM 629 N SER A 45 4.171 2.611 -0.731 1.00 0.00 N ATOM 630 CA SER A 45 3.427 3.351 0.282 1.00 0.00 C ATOM 631 C SER A 45 3.267 4.813 -0.122 1.00 0.00 C ATOM 632 O SER A 45 4.062 5.347 -0.895 1.00 0.00 O ATOM 633 CB SER A 45 4.136 3.258 1.634 1.00 0.00 C ATOM 634 OG SER A 45 5.435 3.823 1.569 1.00 0.00 O ATOM 0 H SER A 45 5.163 2.843 -0.779 1.00 0.00 H new ATOM 0 HA SER A 45 2.436 2.906 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.549 3.775 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.205 2.214 1.941 1.00 0.00 H new ATOM 0 HG SER A 45 5.867 3.753 2.446 1.00 0.00 H new ATOM 640 N LYS A 46 2.231 5.456 0.407 1.00 0.00 N ATOM 641 CA LYS A 46 1.965 6.857 0.104 1.00 0.00 C ATOM 642 C LYS A 46 1.402 7.580 1.324 1.00 0.00 C ATOM 643 O LYS A 46 0.410 7.148 1.912 1.00 0.00 O ATOM 644 CB LYS A 46 0.985 6.970 -1.066 1.00 0.00 C ATOM 645 CG LYS A 46 0.884 8.372 -1.642 1.00 0.00 C ATOM 646 CD LYS A 46 -0.226 8.472 -2.675 1.00 0.00 C ATOM 647 CE LYS A 46 -0.493 9.917 -3.068 1.00 0.00 C ATOM 648 NZ LYS A 46 -1.050 10.706 -1.935 1.00 0.00 N ATOM 0 H LYS A 46 1.562 5.029 1.048 1.00 0.00 H new ATOM 0 HA LYS A 46 2.908 7.328 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.293 6.284 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.003 6.651 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.699 9.084 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.834 8.648 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.047 7.897 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.138 8.028 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.434 10.377 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.190 9.943 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.497 11.571 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.759 10.136 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.283 10.963 -1.281 1.00 0.00 H new ATOM 662 N LYS A 47 2.040 8.683 1.699 1.00 0.00 N ATOM 663 CA LYS A 47 1.602 9.468 2.847 1.00 0.00 C ATOM 664 C LYS A 47 0.483 10.427 2.455 1.00 0.00 C ATOM 665 O LYS A 47 0.677 11.320 1.631 1.00 0.00 O ATOM 666 CB LYS A 47 2.778 10.253 3.433 1.00 0.00 C ATOM 667 CG LYS A 47 2.654 10.511 4.925 1.00 0.00 C ATOM 668 CD LYS A 47 3.810 11.350 5.444 1.00 0.00 C ATOM 669 CE LYS A 47 3.838 11.382 6.964 1.00 0.00 C ATOM 670 NZ LYS A 47 4.857 12.336 7.480 1.00 0.00 N ATOM 0 H LYS A 47 2.863 9.054 1.224 1.00 0.00 H new ATOM 0 HA LYS A 47 1.220 8.780 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.701 9.705 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.862 11.208 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.713 11.021 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.625 9.561 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.751 10.946 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.725 12.366 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.854 11.663 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.050 10.383 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.845 12.328 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.799 12.053 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.640 13.294 7.138 1.00 0.00 H new ATOM 684 N MET A 48 -0.689 10.238 3.053 1.00 0.00 N ATOM 685 CA MET A 48 -1.839 11.088 2.768 1.00 0.00 C ATOM 686 C MET A 48 -2.915 10.924 3.837 1.00 0.00 C ATOM 687 O MET A 48 -2.824 10.045 4.694 1.00 0.00 O ATOM 688 CB MET A 48 -2.416 10.757 1.391 1.00 0.00 C ATOM 689 CG MET A 48 -2.810 9.297 1.233 1.00 0.00 C ATOM 690 SD MET A 48 -3.862 9.013 -0.204 1.00 0.00 S ATOM 691 CE MET A 48 -5.235 10.104 0.161 1.00 0.00 C ATOM 0 H MET A 48 -0.867 9.504 3.738 1.00 0.00 H new ATOM 0 HA MET A 48 -1.503 12.125 2.773 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.291 11.382 1.213 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.681 11.011 0.627 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.909 8.689 1.145 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.331 8.966 2.131 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.138 9.725 -0.317 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.387 10.149 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.016 11.103 -0.217 1.00 0.00 H new ATOM 701 N VAL A 49 -3.933 11.777 3.780 1.00 0.00 N ATOM 702 CA VAL A 49 -5.027 11.725 4.743 1.00 0.00 C ATOM 703 C VAL A 49 -6.243 11.018 4.156 1.00 0.00 C ATOM 704 O VAL A 49 -6.644 11.287 3.023 1.00 0.00 O ATOM 705 CB VAL A 49 -5.439 13.137 5.200 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.623 13.066 6.152 1.00 0.00 C ATOM 707 CG2 VAL A 49 -4.264 13.851 5.850 1.00 0.00 C ATOM 0 H VAL A 49 -4.023 12.512 3.078 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.665 11.163 5.604 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.742 13.709 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.900 14.073 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.468 12.597 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.351 12.477 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.573 14.847 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.927 13.283 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.448 13.936 5.133 1.00 0.00 H new ATOM 717 N ASP A 50 -6.828 10.113 4.934 1.00 0.00 N ATOM 718 CA ASP A 50 -8.000 9.368 4.492 1.00 0.00 C ATOM 719 C ASP A 50 -9.247 10.246 4.525 1.00 0.00 C ATOM 720 O ASP A 50 -9.566 10.876 5.533 1.00 0.00 O ATOM 721 CB ASP A 50 -8.207 8.133 5.371 1.00 0.00 C ATOM 722 CG ASP A 50 -8.928 7.017 4.641 1.00 0.00 C ATOM 723 OD1 ASP A 50 -10.150 7.148 4.417 1.00 0.00 O ATOM 724 OD2 ASP A 50 -8.272 6.013 4.295 1.00 0.00 O ATOM 0 H ASP A 50 -6.509 9.878 5.874 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.830 9.048 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.239 7.771 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.778 8.412 6.256 1.00 0.00 H new ATOM 729 N PRO A 51 -9.970 10.290 3.396 1.00 0.00 N ATOM 730 CA PRO A 51 -11.193 11.088 3.270 1.00 0.00 C ATOM 731 C PRO A 51 -12.342 10.524 4.099 1.00 0.00 C ATOM 732 O PRO A 51 -13.333 11.209 4.350 1.00 0.00 O ATOM 733 CB PRO A 51 -11.520 11.004 1.777 1.00 0.00 C ATOM 734 CG PRO A 51 -10.890 9.733 1.323 1.00 0.00 C ATOM 735 CD PRO A 51 -9.650 9.564 2.155 1.00 0.00 C ATOM 0 HA PRO A 51 -11.054 12.106 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.597 10.995 1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.119 11.860 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.569 8.891 1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.645 9.777 0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.436 8.513 2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.774 9.982 1.660 1.00 0.00 H new ATOM 743 N GLU A 52 -12.200 9.272 4.523 1.00 0.00 N ATOM 744 CA GLU A 52 -13.227 8.616 5.324 1.00 0.00 C ATOM 745 C GLU A 52 -13.056 8.946 6.804 1.00 0.00 C ATOM 746 O GLU A 52 -14.017 9.293 7.490 1.00 0.00 O ATOM 747 CB GLU A 52 -13.176 7.101 5.118 1.00 0.00 C ATOM 748 CG GLU A 52 -13.374 6.676 3.673 1.00 0.00 C ATOM 749 CD GLU A 52 -13.509 5.173 3.520 1.00 0.00 C ATOM 750 OE1 GLU A 52 -14.544 4.623 3.952 1.00 0.00 O ATOM 751 OE2 GLU A 52 -12.580 4.548 2.968 1.00 0.00 O ATOM 0 H GLU A 52 -11.384 8.692 4.325 1.00 0.00 H new ATOM 0 HA GLU A 52 -14.198 8.987 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.214 6.727 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.944 6.633 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.266 7.160 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.530 7.024 3.077 1.00 0.00 H new ATOM 758 N LYS A 53 -11.824 8.834 7.290 1.00 0.00 N ATOM 759 CA LYS A 53 -11.524 9.120 8.687 1.00 0.00 C ATOM 760 C LYS A 53 -10.441 10.188 8.804 1.00 0.00 C ATOM 761 O LYS A 53 -9.259 9.892 8.977 1.00 0.00 O ATOM 762 CB LYS A 53 -11.076 7.845 9.405 1.00 0.00 C ATOM 763 CG LYS A 53 -12.227 6.952 9.835 1.00 0.00 C ATOM 764 CD LYS A 53 -11.732 5.717 10.569 1.00 0.00 C ATOM 765 CE LYS A 53 -11.444 4.575 9.606 1.00 0.00 C ATOM 766 NZ LYS A 53 -10.113 4.721 8.955 1.00 0.00 N ATOM 0 H LYS A 53 -11.017 8.547 6.736 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.433 9.496 9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.416 7.280 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.492 8.119 10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.902 7.513 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.801 6.650 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.828 5.962 11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.479 5.401 11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.483 3.628 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.220 4.540 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.242 4.934 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.588 5.496 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.578 3.835 9.057 1.00 0.00 H new ATOM 780 N PRO A 54 -10.852 11.462 8.707 1.00 0.00 N ATOM 781 CA PRO A 54 -9.933 12.600 8.801 1.00 0.00 C ATOM 782 C PRO A 54 -9.378 12.782 10.210 1.00 0.00 C ATOM 783 O PRO A 54 -8.514 13.628 10.441 1.00 0.00 O ATOM 784 CB PRO A 54 -10.807 13.794 8.411 1.00 0.00 C ATOM 785 CG PRO A 54 -12.197 13.371 8.742 1.00 0.00 C ATOM 786 CD PRO A 54 -12.247 11.888 8.501 1.00 0.00 C ATOM 0 HA PRO A 54 -9.057 12.471 8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.523 14.689 8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.706 14.029 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.440 13.606 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.923 13.892 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.926 11.391 9.194 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.594 11.656 7.494 1.00 0.00 H new ATOM 794 N GLN A 55 -9.880 11.984 11.147 1.00 0.00 N ATOM 795 CA GLN A 55 -9.434 12.059 12.533 1.00 0.00 C ATOM 796 C GLN A 55 -7.973 11.641 12.657 1.00 0.00 C ATOM 797 O GLN A 55 -7.185 12.296 13.340 1.00 0.00 O ATOM 798 CB GLN A 55 -10.308 11.172 13.421 1.00 0.00 C ATOM 799 CG GLN A 55 -10.198 9.691 13.098 1.00 0.00 C ATOM 800 CD GLN A 55 -11.262 8.862 13.790 1.00 0.00 C ATOM 801 OE1 GLN A 55 -12.105 8.204 13.002 1.00 0.00 O flip ATOM 802 NE2 GLN A 55 -11.327 8.814 15.018 1.00 0.00 N flip ATOM 0 H GLN A 55 -10.595 11.278 10.972 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.526 13.094 12.863 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.030 11.330 14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.348 11.482 13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.278 9.551 12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.213 9.331 13.394 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.658 9.336 15.585 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.049 8.253 15.469 1.00 0.00 H new ATOM 811 N LEU A 56 -7.617 10.546 11.994 1.00 0.00 N ATOM 812 CA LEU A 56 -6.250 10.040 12.031 1.00 0.00 C ATOM 813 C LEU A 56 -5.271 11.076 11.488 1.00 0.00 C ATOM 814 O LEU A 56 -4.241 11.352 12.101 1.00 0.00 O ATOM 815 CB LEU A 56 -6.142 8.746 11.221 1.00 0.00 C ATOM 816 CG LEU A 56 -7.177 7.666 11.541 1.00 0.00 C ATOM 817 CD1 LEU A 56 -7.277 6.669 10.397 1.00 0.00 C ATOM 818 CD2 LEU A 56 -6.824 6.958 12.840 1.00 0.00 C ATOM 0 H LEU A 56 -8.256 9.992 11.424 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.993 9.834 13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.222 8.995 10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.148 8.326 11.376 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.149 8.144 11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.018 5.908 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.577 7.188 9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.308 6.195 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.571 6.193 13.052 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.844 6.491 12.745 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.804 7.682 13.655 1.00 0.00 H new ATOM 830 N GLY A 57 -5.601 11.647 10.334 1.00 0.00 N ATOM 831 CA GLY A 57 -4.742 12.648 9.729 1.00 0.00 C ATOM 832 C GLY A 57 -3.743 12.046 8.760 1.00 0.00 C ATOM 833 O GLY A 57 -4.126 11.405 7.782 1.00 0.00 O ATOM 0 H GLY A 57 -6.448 11.434 9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.356 13.380 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.206 13.184 10.512 1.00 0.00 H new ATOM 837 N MET A 58 -2.459 12.254 9.031 1.00 0.00 N ATOM 838 CA MET A 58 -1.402 11.726 8.175 1.00 0.00 C ATOM 839 C MET A 58 -1.212 10.230 8.405 1.00 0.00 C ATOM 840 O MET A 58 -0.625 9.816 9.405 1.00 0.00 O ATOM 841 CB MET A 58 -0.088 12.465 8.436 1.00 0.00 C ATOM 842 CG MET A 58 0.064 13.739 7.622 1.00 0.00 C ATOM 843 SD MET A 58 0.882 13.458 6.040 1.00 0.00 S ATOM 844 CE MET A 58 -0.322 12.420 5.216 1.00 0.00 C ATOM 0 H MET A 58 -2.125 12.784 9.836 1.00 0.00 H new ATOM 0 HA MET A 58 -1.698 11.881 7.137 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.023 12.711 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.745 11.799 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.920 14.173 7.446 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.635 14.468 8.198 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.098 12.379 4.150 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.282 11.414 5.634 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.320 12.834 5.361 1.00 0.00 H new ATOM 854 N ILE A 59 -1.713 9.425 7.474 1.00 0.00 N ATOM 855 CA ILE A 59 -1.597 7.976 7.576 1.00 0.00 C ATOM 856 C ILE A 59 -0.778 7.408 6.422 1.00 0.00 C ATOM 857 O ILE A 59 -0.615 8.052 5.386 1.00 0.00 O ATOM 858 CB ILE A 59 -2.981 7.300 7.589 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.756 7.649 6.317 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.764 7.720 8.824 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.874 6.679 6.005 1.00 0.00 C ATOM 0 H ILE A 59 -2.203 9.752 6.641 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.090 7.765 8.517 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.840 6.220 7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.173 8.651 6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.064 7.676 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.740 7.234 8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.217 7.425 9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.897 8.802 8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.380 6.989 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.461 5.679 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.588 6.669 6.829 1.00 0.00 H new ATOM 873 N ASP A 60 -0.265 6.196 6.608 1.00 0.00 N ATOM 874 CA ASP A 60 0.535 5.539 5.582 1.00 0.00 C ATOM 875 C ASP A 60 -0.181 4.305 5.042 1.00 0.00 C ATOM 876 O ASP A 60 -0.410 3.340 5.771 1.00 0.00 O ATOM 877 CB ASP A 60 1.902 5.145 6.146 1.00 0.00 C ATOM 878 CG ASP A 60 2.698 6.343 6.624 1.00 0.00 C ATOM 879 OD1 ASP A 60 3.424 6.941 5.802 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.594 6.684 7.821 1.00 0.00 O ATOM 0 H ASP A 60 -0.389 5.649 7.460 1.00 0.00 H new ATOM 0 HA ASP A 60 0.678 6.242 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.763 4.450 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.470 4.618 5.379 1.00 0.00 H new ATOM 885 N ARG A 61 -0.531 4.344 3.761 1.00 0.00 N ATOM 886 CA ARG A 61 -1.223 3.230 3.123 1.00 0.00 C ATOM 887 C ARG A 61 -0.293 2.485 2.171 1.00 0.00 C ATOM 888 O ARG A 61 0.833 2.917 1.924 1.00 0.00 O ATOM 889 CB ARG A 61 -2.452 3.733 2.364 1.00 0.00 C ATOM 890 CG ARG A 61 -3.476 4.424 3.250 1.00 0.00 C ATOM 891 CD ARG A 61 -4.493 3.437 3.800 1.00 0.00 C ATOM 892 NE ARG A 61 -4.007 2.764 5.002 1.00 0.00 N ATOM 893 CZ ARG A 61 -4.803 2.317 5.967 1.00 0.00 C ATOM 894 NH1 ARG A 61 -6.117 2.469 5.870 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.286 1.715 7.030 1.00 0.00 N ATOM 0 H ARG A 61 -0.347 5.135 3.144 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.544 2.540 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.130 4.426 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.928 2.891 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.967 4.922 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.990 5.197 2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.421 3.962 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.726 2.694 3.037 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.001 2.630 5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.518 2.930 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.726 2.125 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.276 1.595 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.898 1.372 7.770 1.00 0.00 H new ATOM 909 N TRP A 62 -0.771 1.366 1.640 1.00 0.00 N ATOM 910 CA TRP A 62 0.019 0.560 0.716 1.00 0.00 C ATOM 911 C TRP A 62 -0.817 0.136 -0.487 1.00 0.00 C ATOM 912 O TRP A 62 -2.042 0.043 -0.401 1.00 0.00 O ATOM 913 CB TRP A 62 0.574 -0.674 1.428 1.00 0.00 C ATOM 914 CG TRP A 62 1.379 -0.344 2.648 1.00 0.00 C ATOM 915 CD1 TRP A 62 0.904 -0.141 3.913 1.00 0.00 C ATOM 916 CD2 TRP A 62 2.799 -0.176 2.719 1.00 0.00 C ATOM 917 NE1 TRP A 62 1.943 0.143 4.765 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.116 0.126 4.058 1.00 0.00 C ATOM 919 CE3 TRP A 62 3.833 -0.254 1.783 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.424 0.351 4.480 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.130 -0.031 2.203 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.417 0.268 3.542 1.00 0.00 C ATOM 0 H TRP A 62 -1.702 0.996 1.833 1.00 0.00 H new ATOM 0 HA TRP A 62 0.850 1.169 0.361 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.254 -1.323 1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.196 -1.237 0.732 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.136 -0.196 4.201 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.855 0.335 5.763 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.622 -0.485 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 4.647 0.583 5.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.937 -0.088 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.442 0.436 3.839 1.00 0.00 H new ATOM 933 N TYR A 63 -0.149 -0.121 -1.606 1.00 0.00 N ATOM 934 CA TYR A 63 -0.831 -0.534 -2.826 1.00 0.00 C ATOM 935 C TYR A 63 0.123 -1.270 -3.761 1.00 0.00 C ATOM 936 O TYR A 63 1.190 -0.761 -4.105 1.00 0.00 O ATOM 937 CB TYR A 63 -1.425 0.682 -3.540 1.00 0.00 C ATOM 938 CG TYR A 63 -2.430 1.443 -2.705 1.00 0.00 C ATOM 939 CD1 TYR A 63 -2.017 2.409 -1.795 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.792 1.196 -2.824 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.931 3.107 -1.029 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.713 1.890 -2.064 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.278 2.844 -1.168 1.00 0.00 C ATOM 944 OH TYR A 63 -5.192 3.536 -0.407 1.00 0.00 O ATOM 0 H TYR A 63 0.865 -0.050 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.636 -1.214 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.617 1.356 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.906 0.353 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.963 2.618 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.137 0.448 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.593 3.854 -0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.768 1.687 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.089 3.414 -0.782 1.00 0.00 H new ATOM 954 N HIS A 64 -0.270 -2.473 -4.170 1.00 0.00 N ATOM 955 CA HIS A 64 0.549 -3.281 -5.067 1.00 0.00 C ATOM 956 C HIS A 64 0.912 -2.497 -6.325 1.00 0.00 C ATOM 957 O HIS A 64 0.197 -1.588 -6.747 1.00 0.00 O ATOM 958 CB HIS A 64 -0.189 -4.565 -5.447 1.00 0.00 C ATOM 959 CG HIS A 64 -0.747 -5.305 -4.271 1.00 0.00 C ATOM 960 ND1 HIS A 64 -2.014 -5.083 -3.774 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.203 -6.271 -3.493 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.225 -5.879 -2.741 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.141 -6.610 -2.550 1.00 0.00 N ATOM 0 H HIS A 64 -1.150 -2.909 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 64 1.469 -3.541 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.002 -4.319 -6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.494 -5.220 -5.988 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.684 -4.409 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.785 -6.695 -3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.130 -5.925 -2.153 1.00 0.00 H new ATOM 971 N PRO A 65 2.050 -2.855 -6.938 1.00 0.00 N ATOM 972 CA PRO A 65 2.534 -2.198 -8.156 1.00 0.00 C ATOM 973 C PRO A 65 1.442 -2.057 -9.211 1.00 0.00 C ATOM 974 O PRO A 65 1.349 -1.035 -9.889 1.00 0.00 O ATOM 975 CB PRO A 65 3.637 -3.137 -8.650 1.00 0.00 C ATOM 976 CG PRO A 65 4.117 -3.836 -7.426 1.00 0.00 C ATOM 977 CD PRO A 65 2.952 -3.930 -6.490 1.00 0.00 C ATOM 0 HA PRO A 65 2.876 -1.181 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.254 -3.845 -9.385 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.443 -2.582 -9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.495 -4.828 -7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.938 -3.287 -6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.470 -4.906 -6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.259 -3.788 -5.454 1.00 0.00 H new ATOM 985 N GLY A 66 0.616 -3.091 -9.344 1.00 0.00 N ATOM 986 CA GLY A 66 -0.459 -3.061 -10.319 1.00 0.00 C ATOM 987 C GLY A 66 -1.566 -2.100 -9.932 1.00 0.00 C ATOM 988 O GLY A 66 -2.173 -1.462 -10.792 1.00 0.00 O ATOM 0 H GLY A 66 0.672 -3.948 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.056 -2.774 -11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.874 -4.063 -10.429 1.00 0.00 H new ATOM 992 N CYS A 67 -1.831 -1.998 -8.634 1.00 0.00 N ATOM 993 CA CYS A 67 -2.874 -1.111 -8.134 1.00 0.00 C ATOM 994 C CYS A 67 -2.403 0.341 -8.142 1.00 0.00 C ATOM 995 O CYS A 67 -3.204 1.264 -8.293 1.00 0.00 O ATOM 996 CB CYS A 67 -3.283 -1.518 -6.717 1.00 0.00 C ATOM 997 SG CYS A 67 -3.663 -3.290 -6.533 1.00 0.00 S ATOM 0 H CYS A 67 -1.337 -2.519 -7.909 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.738 -1.198 -8.793 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.479 -1.256 -6.029 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.157 -0.937 -6.422 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.173 -3.505 -5.357 1.00 0.00 H new ATOM 1002 N PHE A 68 -1.099 0.535 -7.978 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.521 1.874 -7.966 1.00 0.00 C ATOM 1004 C PHE A 68 -0.646 2.533 -9.337 1.00 0.00 C ATOM 1005 O PHE A 68 -0.919 3.729 -9.440 1.00 0.00 O ATOM 1006 CB PHE A 68 0.950 1.813 -7.550 1.00 0.00 C ATOM 1007 CG PHE A 68 1.572 3.165 -7.346 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.054 4.046 -6.410 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.674 3.555 -8.090 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.624 5.291 -6.221 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.248 4.798 -7.905 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.723 5.667 -6.969 1.00 0.00 C ATOM 0 H PHE A 68 -0.422 -0.218 -7.852 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.072 2.474 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.035 1.240 -6.627 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.513 1.274 -8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.196 3.757 -5.822 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.089 2.879 -8.823 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.211 5.969 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.106 5.090 -8.492 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.171 6.639 -6.822 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.445 1.743 -10.387 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.535 2.249 -11.752 1.00 0.00 C ATOM 1024 C VAL A 69 -1.978 2.576 -12.122 1.00 0.00 C ATOM 1025 O VAL A 69 -2.280 3.681 -12.573 1.00 0.00 O ATOM 1026 CB VAL A 69 0.025 1.233 -12.765 1.00 0.00 C ATOM 1027 CG1 VAL A 69 -0.114 1.762 -14.184 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.477 0.910 -12.447 1.00 0.00 C ATOM 0 H VAL A 69 -0.219 0.751 -10.319 1.00 0.00 H new ATOM 0 HA VAL A 69 0.063 3.159 -11.793 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.553 0.312 -12.688 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.287 1.031 -14.886 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.167 1.938 -14.405 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.438 2.697 -14.279 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.857 0.191 -13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.072 1.822 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.544 0.485 -11.445 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.867 1.608 -11.928 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.279 1.792 -12.239 1.00 0.00 C ATOM 1040 C LYS A 70 -4.860 2.966 -11.458 1.00 0.00 C ATOM 1041 O LYS A 70 -5.543 3.820 -12.020 1.00 0.00 O ATOM 1042 CB LYS A 70 -5.063 0.516 -11.921 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.576 -0.703 -12.684 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.410 -1.932 -12.363 1.00 0.00 C ATOM 1045 CE LYS A 70 -4.833 -2.706 -11.187 1.00 0.00 C ATOM 1046 NZ LYS A 70 -5.822 -3.659 -10.612 1.00 0.00 N ATOM 0 H LYS A 70 -2.634 0.687 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.365 2.009 -13.304 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.996 0.316 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.116 0.680 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.618 -0.504 -13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.532 -0.896 -12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.432 -1.630 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.457 -2.580 -13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.948 -3.253 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.511 -2.007 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.391 -4.167 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.656 -3.135 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.111 -4.342 -11.341 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.582 3.002 -10.158 1.00 0.00 N ATOM 1061 CA ASN A 71 -5.077 4.072 -9.300 1.00 0.00 C ATOM 1062 C ASN A 71 -4.056 5.201 -9.196 1.00 0.00 C ATOM 1063 O ASN A 71 -4.072 5.980 -8.243 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.399 3.530 -7.907 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.155 2.216 -7.958 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.474 2.298 -8.090 1.00 0.00 O flip ATOM 1067 ND2 ASN A 71 -5.560 1.141 -7.880 1.00 0.00 N flip ATOM 0 H ASN A 71 -4.017 2.303 -9.677 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.988 4.470 -9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.472 3.391 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.991 4.265 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.545 1.126 -7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.082 0.265 -7.916 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.168 5.282 -10.182 1.00 0.00 N ATOM 1075 CA ARG A 72 -2.139 6.315 -10.200 1.00 0.00 C ATOM 1076 C ARG A 72 -2.765 7.704 -10.293 1.00 0.00 C ATOM 1077 O ARG A 72 -2.124 8.705 -9.975 1.00 0.00 O ATOM 1078 CB ARG A 72 -1.186 6.093 -11.376 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.745 6.559 -12.710 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.642 6.764 -13.736 1.00 0.00 C ATOM 1081 NE ARG A 72 -0.322 5.530 -14.450 1.00 0.00 N ATOM 1082 CZ ARG A 72 -0.956 5.130 -15.546 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -1.939 5.863 -16.052 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -0.608 3.996 -16.139 1.00 0.00 N ATOM 0 H ARG A 72 -3.141 4.645 -10.978 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.577 6.251 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.252 6.619 -11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.946 5.032 -11.443 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.458 5.824 -13.083 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.292 7.492 -12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.949 7.527 -14.451 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.253 7.136 -13.237 1.00 0.00 H new ATOM 0 HE ARG A 72 0.429 4.944 -14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.209 6.736 -15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.424 5.554 -16.894 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.148 3.430 -15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.096 3.690 -16.981 1.00 0.00 H new ATOM 1098 N GLU A 73 -4.018 7.755 -10.733 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.729 9.021 -10.869 1.00 0.00 C ATOM 1100 C GLU A 73 -5.314 9.463 -9.531 1.00 0.00 C ATOM 1101 O GLU A 73 -4.886 10.463 -8.955 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.843 8.897 -11.909 1.00 0.00 C ATOM 1103 CG GLU A 73 -5.401 9.245 -13.320 1.00 0.00 C ATOM 1104 CD GLU A 73 -6.537 9.770 -14.175 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -6.771 10.997 -14.165 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -7.193 8.954 -14.856 1.00 0.00 O ATOM 0 H GLU A 73 -4.562 6.935 -11.001 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.015 9.775 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.226 7.877 -11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.668 9.550 -11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.610 9.993 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.975 8.359 -13.792 1.00 0.00 H new ATOM 1113 N GLU A 74 -6.295 8.710 -9.043 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.940 9.026 -7.773 1.00 0.00 C ATOM 1115 C GLU A 74 -5.911 9.461 -6.734 1.00 0.00 C ATOM 1116 O GLU A 74 -6.036 10.527 -6.128 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.720 7.815 -7.258 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.336 6.972 -8.362 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.122 7.801 -9.359 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -8.501 8.617 -10.073 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -10.358 7.635 -9.426 1.00 0.00 O ATOM 0 H GLU A 74 -6.660 7.878 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.632 9.851 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.053 7.190 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.511 8.160 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.547 6.433 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.993 6.224 -7.919 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.895 8.630 -6.532 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.843 8.928 -5.565 1.00 0.00 C ATOM 1130 C LEU A 75 -3.182 10.267 -5.875 1.00 0.00 C ATOM 1131 O LEU A 75 -2.807 11.010 -4.969 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.793 7.816 -5.565 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.312 6.403 -5.291 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.173 5.397 -5.344 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -4.015 6.345 -3.943 1.00 0.00 C ATOM 0 H LEU A 75 -4.777 7.745 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.299 8.989 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.292 7.816 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.038 8.056 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.034 6.145 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.561 4.398 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.713 5.419 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.427 5.652 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.378 5.333 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.315 6.624 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.857 7.037 -3.942 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.044 10.569 -7.163 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.429 11.819 -7.569 1.00 0.00 C ATOM 1149 C GLY A 76 -0.941 11.680 -7.821 1.00 0.00 C ATOM 1150 O GLY A 76 -0.151 12.523 -7.398 1.00 0.00 O ATOM 0 H GLY A 76 -3.347 9.971 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.915 12.182 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.595 12.569 -6.796 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.557 10.610 -8.510 1.00 0.00 N ATOM 1155 CA PHE A 77 0.847 10.361 -8.815 1.00 0.00 C ATOM 1156 C PHE A 77 1.301 11.197 -10.009 1.00 0.00 C ATOM 1157 O PHE A 77 1.126 10.800 -11.161 1.00 0.00 O ATOM 1158 CB PHE A 77 1.072 8.876 -9.104 1.00 0.00 C ATOM 1159 CG PHE A 77 2.521 8.507 -9.254 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.397 8.639 -8.189 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.006 8.028 -10.460 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.730 8.301 -8.325 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.338 7.689 -10.602 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.201 7.824 -9.533 1.00 0.00 C ATOM 0 H PHE A 77 -1.198 9.902 -8.867 1.00 0.00 H new ATOM 0 HA PHE A 77 1.438 10.649 -7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.637 8.287 -8.297 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.540 8.607 -10.017 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.034 9.010 -7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.335 7.918 -11.299 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.403 8.410 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.704 7.319 -11.548 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.242 7.557 -9.641 1.00 0.00 H new ATOM 1174 N ARG A 78 1.884 12.357 -9.724 1.00 0.00 N ATOM 1175 CA ARG A 78 2.361 13.250 -10.772 1.00 0.00 C ATOM 1176 C ARG A 78 3.286 12.512 -11.736 1.00 0.00 C ATOM 1177 O ARG A 78 4.005 11.586 -11.358 1.00 0.00 O ATOM 1178 CB ARG A 78 3.094 14.445 -10.159 1.00 0.00 C ATOM 1179 CG ARG A 78 2.164 15.516 -9.615 1.00 0.00 C ATOM 1180 CD ARG A 78 2.901 16.481 -8.700 1.00 0.00 C ATOM 1181 NE ARG A 78 2.117 17.683 -8.426 1.00 0.00 N ATOM 1182 CZ ARG A 78 2.645 18.823 -7.996 1.00 0.00 C ATOM 1183 NH1 ARG A 78 3.952 18.917 -7.793 1.00 0.00 N ATOM 1184 NH2 ARG A 78 1.866 19.873 -7.769 1.00 0.00 N ATOM 0 H ARG A 78 2.037 12.700 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 78 1.496 13.610 -11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.738 14.091 -9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.743 14.889 -10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.718 16.067 -10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.347 15.046 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.138 15.981 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.849 16.763 -9.159 1.00 0.00 H new ATOM 0 HE ARG A 78 1.108 17.644 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.554 18.112 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.355 19.794 -7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.860 19.805 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.273 20.748 -7.439 1.00 0.00 H new ATOM 1198 N PRO A 79 3.268 12.929 -13.010 1.00 0.00 N ATOM 1199 CA PRO A 79 4.099 12.322 -14.054 1.00 0.00 C ATOM 1200 C PRO A 79 5.580 12.633 -13.870 1.00 0.00 C ATOM 1201 O PRO A 79 6.420 12.175 -14.644 1.00 0.00 O ATOM 1202 CB PRO A 79 3.574 12.961 -15.342 1.00 0.00 C ATOM 1203 CG PRO A 79 2.990 14.261 -14.909 1.00 0.00 C ATOM 1204 CD PRO A 79 2.436 14.027 -13.530 1.00 0.00 C ATOM 0 HA PRO A 79 4.034 11.234 -14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.375 13.109 -16.066 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.825 12.330 -15.820 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.748 15.045 -14.897 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.207 14.585 -15.595 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.514 14.919 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.382 13.752 -13.562 1.00 0.00 H new ATOM 1212 N GLU A 80 5.893 13.414 -12.841 1.00 0.00 N ATOM 1213 CA GLU A 80 7.274 13.786 -12.557 1.00 0.00 C ATOM 1214 C GLU A 80 7.943 12.750 -11.658 1.00 0.00 C ATOM 1215 O GLU A 80 9.168 12.626 -11.640 1.00 0.00 O ATOM 1216 CB GLU A 80 7.329 15.164 -11.893 1.00 0.00 C ATOM 1217 CG GLU A 80 6.861 15.161 -10.447 1.00 0.00 C ATOM 1218 CD GLU A 80 6.304 16.503 -10.012 1.00 0.00 C ATOM 1219 OE1 GLU A 80 5.416 17.031 -10.714 1.00 0.00 O ATOM 1220 OE2 GLU A 80 6.755 17.024 -8.971 1.00 0.00 O ATOM 0 H GLU A 80 5.209 13.801 -12.191 1.00 0.00 H new ATOM 0 HA GLU A 80 7.814 13.824 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.352 15.538 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.713 15.858 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.096 14.395 -10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.695 14.891 -9.799 1.00 0.00 H new ATOM 1227 N TYR A 81 7.130 12.008 -10.914 1.00 0.00 N ATOM 1228 CA TYR A 81 7.642 10.984 -10.011 1.00 0.00 C ATOM 1229 C TYR A 81 7.808 9.652 -10.736 1.00 0.00 C ATOM 1230 O TYR A 81 6.837 9.074 -11.225 1.00 0.00 O ATOM 1231 CB TYR A 81 6.703 10.814 -8.815 1.00 0.00 C ATOM 1232 CG TYR A 81 6.478 12.090 -8.036 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.508 13.004 -7.850 1.00 0.00 C ATOM 1234 CD2 TYR A 81 5.237 12.381 -7.484 1.00 0.00 C ATOM 1235 CE1 TYR A 81 7.307 14.171 -7.138 1.00 0.00 C ATOM 1236 CE2 TYR A 81 5.026 13.545 -6.772 1.00 0.00 C ATOM 1237 CZ TYR A 81 6.065 14.437 -6.602 1.00 0.00 C ATOM 1238 OH TYR A 81 5.860 15.598 -5.892 1.00 0.00 O ATOM 0 H TYR A 81 6.114 12.097 -10.918 1.00 0.00 H new ATOM 0 HA TYR A 81 8.620 11.306 -9.654 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.742 10.440 -9.168 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.113 10.057 -8.146 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.482 12.799 -8.269 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.422 11.684 -7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.118 14.871 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.054 13.756 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 81 4.930 15.633 -5.583 1.00 0.00 H new ATOM 1248 N SER A 82 9.045 9.170 -10.799 1.00 0.00 N ATOM 1249 CA SER A 82 9.340 7.907 -11.466 1.00 0.00 C ATOM 1250 C SER A 82 9.839 6.869 -10.466 1.00 0.00 C ATOM 1251 O SER A 82 10.055 7.173 -9.294 1.00 0.00 O ATOM 1252 CB SER A 82 10.385 8.118 -12.564 1.00 0.00 C ATOM 1253 OG SER A 82 11.586 8.646 -12.030 1.00 0.00 O ATOM 0 H SER A 82 9.859 9.635 -10.396 1.00 0.00 H new ATOM 0 HA SER A 82 8.419 7.538 -11.917 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.590 7.170 -13.062 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.990 8.796 -13.320 1.00 0.00 H new ATOM 0 HG SER A 82 12.232 8.785 -12.753 1.00 0.00 H new ATOM 1259 N ALA A 83 10.020 5.640 -10.940 1.00 0.00 N ATOM 1260 CA ALA A 83 10.495 4.556 -10.089 1.00 0.00 C ATOM 1261 C ALA A 83 11.895 4.846 -9.560 1.00 0.00 C ATOM 1262 O ALA A 83 12.217 4.522 -8.417 1.00 0.00 O ATOM 1263 CB ALA A 83 10.479 3.240 -10.853 1.00 0.00 C ATOM 0 H ALA A 83 9.845 5.371 -11.908 1.00 0.00 H new ATOM 0 HA ALA A 83 9.822 4.476 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.836 2.439 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.462 3.019 -11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.128 3.318 -11.725 1.00 0.00 H new ATOM 1269 N SER A 84 12.724 5.458 -10.399 1.00 0.00 N ATOM 1270 CA SER A 84 14.092 5.789 -10.017 1.00 0.00 C ATOM 1271 C SER A 84 14.113 6.627 -8.743 1.00 0.00 C ATOM 1272 O SER A 84 14.972 6.443 -7.881 1.00 0.00 O ATOM 1273 CB SER A 84 14.792 6.543 -11.149 1.00 0.00 C ATOM 1274 OG SER A 84 14.386 7.900 -11.186 1.00 0.00 O ATOM 0 H SER A 84 12.472 5.735 -11.348 1.00 0.00 H new ATOM 0 HA SER A 84 14.625 4.857 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.872 6.487 -11.014 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.565 6.066 -12.103 1.00 0.00 H new ATOM 0 HG SER A 84 13.449 7.953 -11.467 1.00 0.00 H new ATOM 1280 N GLN A 85 13.162 7.549 -8.633 1.00 0.00 N ATOM 1281 CA GLN A 85 13.071 8.416 -7.465 1.00 0.00 C ATOM 1282 C GLN A 85 12.487 7.665 -6.273 1.00 0.00 C ATOM 1283 O GLN A 85 12.881 7.894 -5.128 1.00 0.00 O ATOM 1284 CB GLN A 85 12.213 9.643 -7.780 1.00 0.00 C ATOM 1285 CG GLN A 85 12.963 10.734 -8.526 1.00 0.00 C ATOM 1286 CD GLN A 85 12.426 12.120 -8.228 1.00 0.00 C ATOM 1287 OE1 GLN A 85 13.157 12.994 -7.760 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.143 12.329 -8.496 1.00 0.00 N ATOM 0 H GLN A 85 12.444 7.715 -9.338 1.00 0.00 H new ATOM 0 HA GLN A 85 14.079 8.742 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.354 9.332 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.824 10.053 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.019 10.692 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.899 10.546 -9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.574 11.576 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.726 13.242 -8.315 1.00 0.00 H new ATOM 1297 N LEU A 86 11.547 6.769 -6.548 1.00 0.00 N ATOM 1298 CA LEU A 86 10.908 5.983 -5.498 1.00 0.00 C ATOM 1299 C LEU A 86 11.950 5.328 -4.597 1.00 0.00 C ATOM 1300 O LEU A 86 12.685 4.438 -5.026 1.00 0.00 O ATOM 1301 CB LEU A 86 10.003 4.914 -6.112 1.00 0.00 C ATOM 1302 CG LEU A 86 8.671 5.406 -6.679 1.00 0.00 C ATOM 1303 CD1 LEU A 86 7.918 4.263 -7.342 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.826 6.039 -5.583 1.00 0.00 C ATOM 0 H LEU A 86 11.210 6.568 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 86 10.303 6.657 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.553 4.416 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.795 4.162 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 86 8.878 6.164 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.973 4.632 -7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.519 3.855 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.722 3.482 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.882 6.383 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.628 5.302 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.362 6.886 -5.154 1.00 0.00 H new ATOM 1316 N LYS A 87 12.007 5.772 -3.346 1.00 0.00 N ATOM 1317 CA LYS A 87 12.957 5.228 -2.383 1.00 0.00 C ATOM 1318 C LYS A 87 13.048 3.710 -2.507 1.00 0.00 C ATOM 1319 O LYS A 87 12.086 3.051 -2.902 1.00 0.00 O ATOM 1320 CB LYS A 87 12.546 5.610 -0.959 1.00 0.00 C ATOM 1321 CG LYS A 87 13.695 5.580 0.034 1.00 0.00 C ATOM 1322 CD LYS A 87 13.389 6.416 1.266 1.00 0.00 C ATOM 1323 CE LYS A 87 14.204 5.959 2.466 1.00 0.00 C ATOM 1324 NZ LYS A 87 13.732 6.590 3.729 1.00 0.00 N ATOM 0 H LYS A 87 11.406 6.508 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 87 13.938 5.652 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.113 6.610 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.766 4.929 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.893 4.550 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.601 5.953 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.602 7.464 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.326 6.347 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.141 4.875 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.254 6.205 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.313 6.253 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.816 7.624 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.738 6.334 3.894 1.00 0.00 H new ATOM 1338 N GLY A 88 14.209 3.161 -2.166 1.00 0.00 N ATOM 1339 CA GLY A 88 14.403 1.725 -2.245 1.00 0.00 C ATOM 1340 C GLY A 88 14.733 1.261 -3.650 1.00 0.00 C ATOM 1341 O GLY A 88 15.522 0.334 -3.836 1.00 0.00 O ATOM 0 H GLY A 88 15.019 3.685 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.208 1.433 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.500 1.220 -1.902 1.00 0.00 H new ATOM 1345 N PHE A 89 14.127 1.905 -4.642 1.00 0.00 N ATOM 1346 CA PHE A 89 14.358 1.551 -6.037 1.00 0.00 C ATOM 1347 C PHE A 89 15.799 1.098 -6.252 1.00 0.00 C ATOM 1348 O PHE A 89 16.049 0.012 -6.775 1.00 0.00 O ATOM 1349 CB PHE A 89 14.045 2.742 -6.946 1.00 0.00 C ATOM 1350 CG PHE A 89 14.299 2.469 -8.401 1.00 0.00 C ATOM 1351 CD1 PHE A 89 13.311 1.912 -9.198 1.00 0.00 C ATOM 1352 CD2 PHE A 89 15.526 2.768 -8.972 1.00 0.00 C ATOM 1353 CE1 PHE A 89 13.543 1.659 -10.537 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.763 2.518 -10.311 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.770 1.963 -11.094 1.00 0.00 C ATOM 0 H PHE A 89 13.472 2.675 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 89 13.694 0.724 -6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 89 13.000 3.024 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.648 3.595 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 89 12.349 1.673 -8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 89 16.306 3.201 -8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.765 1.224 -11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.723 2.756 -10.744 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.952 1.767 -12.140 1.00 0.00 H new ATOM 1365 N SER A 90 16.744 1.940 -5.845 1.00 0.00 N ATOM 1366 CA SER A 90 18.161 1.629 -5.996 1.00 0.00 C ATOM 1367 C SER A 90 18.523 0.359 -5.232 1.00 0.00 C ATOM 1368 O SER A 90 19.260 -0.492 -5.732 1.00 0.00 O ATOM 1369 CB SER A 90 19.017 2.797 -5.501 1.00 0.00 C ATOM 1370 OG SER A 90 20.258 2.844 -6.182 1.00 0.00 O ATOM 0 H SER A 90 16.554 2.842 -5.408 1.00 0.00 H new ATOM 0 HA SER A 90 18.361 1.465 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.481 3.734 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.190 2.697 -4.430 1.00 0.00 H new ATOM 0 HG SER A 90 20.786 3.600 -5.849 1.00 0.00 H new ATOM 1376 N LEU A 91 18.000 0.238 -4.017 1.00 0.00 N ATOM 1377 CA LEU A 91 18.267 -0.928 -3.181 1.00 0.00 C ATOM 1378 C LEU A 91 17.766 -2.204 -3.851 1.00 0.00 C ATOM 1379 O LEU A 91 18.455 -3.226 -3.858 1.00 0.00 O ATOM 1380 CB LEU A 91 17.603 -0.763 -1.813 1.00 0.00 C ATOM 1381 CG LEU A 91 17.914 0.536 -1.069 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.163 0.588 0.252 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.412 0.674 -0.839 1.00 0.00 C ATOM 0 H LEU A 91 17.389 0.933 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 91 19.346 -1.009 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.523 -0.833 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.903 -1.600 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 91 17.583 1.372 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.397 1.520 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.091 0.537 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.462 -0.256 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.614 1.604 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.768 -0.168 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.928 0.684 -1.799 1.00 0.00 H new ATOM 1395 N LEU A 92 16.566 -2.138 -4.416 1.00 0.00 N ATOM 1396 CA LEU A 92 15.973 -3.287 -5.091 1.00 0.00 C ATOM 1397 C LEU A 92 16.966 -3.921 -6.059 1.00 0.00 C ATOM 1398 O LEU A 92 18.085 -3.435 -6.223 1.00 0.00 O ATOM 1399 CB LEU A 92 14.709 -2.866 -5.842 1.00 0.00 C ATOM 1400 CG LEU A 92 13.613 -2.215 -4.999 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.661 -1.421 -5.880 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.853 -3.268 -4.205 1.00 0.00 C ATOM 0 H LEU A 92 15.984 -1.300 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 92 15.709 -4.026 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.994 -2.170 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.290 -3.746 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 92 14.084 -1.528 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.888 -0.965 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.214 -0.641 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.198 -2.087 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.077 -2.786 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.395 -3.981 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.542 -3.793 -3.544 1.00 0.00 H new ATOM 1414 N ALA A 93 16.549 -5.008 -6.700 1.00 0.00 N ATOM 1415 CA ALA A 93 17.400 -5.706 -7.656 1.00 0.00 C ATOM 1416 C ALA A 93 17.160 -5.202 -9.075 1.00 0.00 C ATOM 1417 O ALA A 93 16.019 -4.977 -9.481 1.00 0.00 O ATOM 1418 CB ALA A 93 17.159 -7.206 -7.579 1.00 0.00 C ATOM 0 H ALA A 93 15.626 -5.425 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 93 18.439 -5.502 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.801 -7.715 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.388 -7.560 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.115 -7.419 -7.810 1.00 0.00 H new ATOM 1424 N THR A 94 18.242 -5.025 -9.826 1.00 0.00 N ATOM 1425 CA THR A 94 18.150 -4.546 -11.199 1.00 0.00 C ATOM 1426 C THR A 94 16.946 -5.151 -11.913 1.00 0.00 C ATOM 1427 O THR A 94 16.145 -4.435 -12.512 1.00 0.00 O ATOM 1428 CB THR A 94 19.425 -4.877 -11.997 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.578 -4.382 -11.306 1.00 0.00 O ATOM 1430 CG2 THR A 94 19.364 -4.272 -13.391 1.00 0.00 C ATOM 0 H THR A 94 19.193 -5.206 -9.506 1.00 0.00 H new ATOM 0 HA THR A 94 18.033 -3.463 -11.148 1.00 0.00 H new ATOM 0 HB THR A 94 19.496 -5.961 -12.092 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.385 -4.598 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.275 -4.519 -13.935 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.502 -4.674 -13.925 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.270 -3.189 -13.314 1.00 0.00 H new ATOM 1438 N GLU A 95 16.826 -6.473 -11.843 1.00 0.00 N ATOM 1439 CA GLU A 95 15.719 -7.173 -12.484 1.00 0.00 C ATOM 1440 C GLU A 95 14.391 -6.486 -12.179 1.00 0.00 C ATOM 1441 O GLU A 95 13.652 -6.108 -13.088 1.00 0.00 O ATOM 1442 CB GLU A 95 15.670 -8.630 -12.018 1.00 0.00 C ATOM 1443 CG GLU A 95 16.873 -9.449 -12.455 1.00 0.00 C ATOM 1444 CD GLU A 95 16.543 -10.917 -12.640 1.00 0.00 C ATOM 1445 OE1 GLU A 95 15.629 -11.225 -13.434 1.00 0.00 O ATOM 1446 OE2 GLU A 95 17.199 -11.759 -11.991 1.00 0.00 O ATOM 0 H GLU A 95 17.481 -7.080 -11.350 1.00 0.00 H new ATOM 0 HA GLU A 95 15.882 -7.148 -13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.601 -8.653 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.764 -9.096 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.261 -9.047 -13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.665 -9.349 -11.713 1.00 0.00 H new ATOM 1453 N ASP A 96 14.095 -6.328 -10.894 1.00 0.00 N ATOM 1454 CA ASP A 96 12.857 -5.685 -10.467 1.00 0.00 C ATOM 1455 C ASP A 96 12.799 -4.240 -10.953 1.00 0.00 C ATOM 1456 O ASP A 96 11.786 -3.794 -11.491 1.00 0.00 O ATOM 1457 CB ASP A 96 12.733 -5.730 -8.944 1.00 0.00 C ATOM 1458 CG ASP A 96 12.346 -7.104 -8.434 1.00 0.00 C ATOM 1459 OD1 ASP A 96 13.162 -8.040 -8.572 1.00 0.00 O ATOM 1460 OD2 ASP A 96 11.228 -7.244 -7.897 1.00 0.00 O ATOM 0 H ASP A 96 14.695 -6.636 -10.129 1.00 0.00 H new ATOM 0 HA ASP A 96 12.023 -6.231 -10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.682 -5.434 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.988 -5.003 -8.622 1.00 0.00 H new ATOM 1465 N LYS A 97 13.894 -3.512 -10.759 1.00 0.00 N ATOM 1466 CA LYS A 97 13.969 -2.117 -11.176 1.00 0.00 C ATOM 1467 C LYS A 97 13.325 -1.924 -12.545 1.00 0.00 C ATOM 1468 O LYS A 97 12.344 -1.195 -12.681 1.00 0.00 O ATOM 1469 CB LYS A 97 15.427 -1.654 -11.216 1.00 0.00 C ATOM 1470 CG LYS A 97 16.134 -1.753 -9.876 1.00 0.00 C ATOM 1471 CD LYS A 97 17.226 -0.705 -9.742 1.00 0.00 C ATOM 1472 CE LYS A 97 18.192 -1.046 -8.618 1.00 0.00 C ATOM 1473 NZ LYS A 97 19.232 -2.018 -9.057 1.00 0.00 N ATOM 0 H LYS A 97 14.742 -3.865 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 97 13.423 -1.516 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.969 -2.252 -11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.462 -0.620 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.409 -1.629 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.567 -2.747 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.773 -0.626 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.775 0.269 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.673 -0.134 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.638 -1.462 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.166 -1.697 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.027 -2.953 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.230 -2.084 -10.095 1.00 0.00 H new ATOM 1487 N GLU A 98 13.885 -2.582 -13.556 1.00 0.00 N ATOM 1488 CA GLU A 98 13.363 -2.482 -14.914 1.00 0.00 C ATOM 1489 C GLU A 98 11.861 -2.750 -14.941 1.00 0.00 C ATOM 1490 O GLU A 98 11.112 -2.075 -15.647 1.00 0.00 O ATOM 1491 CB GLU A 98 14.085 -3.467 -15.835 1.00 0.00 C ATOM 1492 CG GLU A 98 15.584 -3.234 -15.920 1.00 0.00 C ATOM 1493 CD GLU A 98 16.183 -3.753 -17.213 1.00 0.00 C ATOM 1494 OE1 GLU A 98 16.008 -4.954 -17.507 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.826 -2.959 -17.930 1.00 0.00 O ATOM 0 H GLU A 98 14.699 -3.189 -13.460 1.00 0.00 H new ATOM 0 HA GLU A 98 13.539 -1.467 -15.270 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.903 -4.482 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.658 -3.396 -16.835 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.787 -2.167 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.072 -3.722 -15.076 1.00 0.00 H new ATOM 1502 N ALA A 99 11.429 -3.740 -14.167 1.00 0.00 N ATOM 1503 CA ALA A 99 10.017 -4.097 -14.101 1.00 0.00 C ATOM 1504 C ALA A 99 9.148 -2.862 -13.890 1.00 0.00 C ATOM 1505 O ALA A 99 8.224 -2.601 -14.663 1.00 0.00 O ATOM 1506 CB ALA A 99 9.780 -5.108 -12.989 1.00 0.00 C ATOM 0 H ALA A 99 12.036 -4.309 -13.577 1.00 0.00 H new ATOM 0 HA ALA A 99 9.737 -4.548 -15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.722 -5.366 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.365 -6.007 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.083 -4.677 -12.035 1.00 0.00 H new ATOM 1512 N LEU A 100 9.447 -2.106 -12.840 1.00 0.00 N ATOM 1513 CA LEU A 100 8.692 -0.898 -12.527 1.00 0.00 C ATOM 1514 C LEU A 100 8.857 0.147 -13.626 1.00 0.00 C ATOM 1515 O LEU A 100 7.877 0.716 -14.109 1.00 0.00 O ATOM 1516 CB LEU A 100 9.149 -0.320 -11.187 1.00 0.00 C ATOM 1517 CG LEU A 100 8.497 -0.921 -9.940 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.102 -0.321 -8.680 1.00 0.00 C ATOM 1519 CD2 LEU A 100 6.991 -0.702 -9.968 1.00 0.00 C ATOM 0 H LEU A 100 10.207 -2.308 -12.191 1.00 0.00 H new ATOM 0 HA LEU A 100 7.638 -1.166 -12.460 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.228 -0.450 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.957 0.753 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 100 8.688 -1.994 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.626 -0.760 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.172 -0.529 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.942 0.757 -8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.544 -1.136 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.779 0.367 -9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.570 -1.180 -10.853 1.00 0.00 H new ATOM 1531 N LYS A 101 10.101 0.394 -14.020 1.00 0.00 N ATOM 1532 CA LYS A 101 10.396 1.367 -15.065 1.00 0.00 C ATOM 1533 C LYS A 101 9.364 1.291 -16.186 1.00 0.00 C ATOM 1534 O LYS A 101 8.824 2.310 -16.617 1.00 0.00 O ATOM 1535 CB LYS A 101 11.798 1.130 -15.631 1.00 0.00 C ATOM 1536 CG LYS A 101 12.913 1.560 -14.693 1.00 0.00 C ATOM 1537 CD LYS A 101 14.282 1.301 -15.299 1.00 0.00 C ATOM 1538 CE LYS A 101 14.768 2.494 -16.109 1.00 0.00 C ATOM 1539 NZ LYS A 101 14.357 2.399 -17.537 1.00 0.00 N ATOM 0 H LYS A 101 10.923 -0.067 -13.631 1.00 0.00 H new ATOM 0 HA LYS A 101 10.353 2.362 -14.622 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.914 0.070 -15.859 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.897 1.671 -16.572 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.810 2.621 -14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.824 1.022 -13.749 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.997 1.083 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.237 0.420 -15.939 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.371 3.412 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.854 2.557 -16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.148 2.690 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.093 1.417 -17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.542 3.023 -17.706 1.00 0.00 H new ATOM 1553 N LYS A 102 9.093 0.077 -16.653 1.00 0.00 N ATOM 1554 CA LYS A 102 8.124 -0.134 -17.722 1.00 0.00 C ATOM 1555 C LYS A 102 6.733 0.321 -17.292 1.00 0.00 C ATOM 1556 O LYS A 102 6.044 1.023 -18.032 1.00 0.00 O ATOM 1557 CB LYS A 102 8.088 -1.610 -18.122 1.00 0.00 C ATOM 1558 CG LYS A 102 9.283 -2.044 -18.954 1.00 0.00 C ATOM 1559 CD LYS A 102 9.604 -3.514 -18.744 1.00 0.00 C ATOM 1560 CE LYS A 102 11.075 -3.805 -18.999 1.00 0.00 C ATOM 1561 NZ LYS A 102 11.380 -5.258 -18.889 1.00 0.00 N ATOM 0 H LYS A 102 9.531 -0.777 -16.307 1.00 0.00 H new ATOM 0 HA LYS A 102 8.433 0.461 -18.581 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.042 -2.221 -17.221 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.175 -1.803 -18.685 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.078 -1.862 -20.009 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.151 -1.440 -18.689 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.346 -3.802 -17.725 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.991 -4.120 -19.411 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.348 -3.451 -19.993 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.684 -3.251 -18.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.392 -5.415 -19.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.143 -5.591 -17.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.818 -5.785 -19.588 1.00 0.00 H new ATOM 1575 N GLN A 103 6.327 -0.083 -16.092 1.00 0.00 N ATOM 1576 CA GLN A 103 5.019 0.285 -15.565 1.00 0.00 C ATOM 1577 C GLN A 103 4.874 1.800 -15.474 1.00 0.00 C ATOM 1578 O GLN A 103 3.874 2.367 -15.916 1.00 0.00 O ATOM 1579 CB GLN A 103 4.806 -0.343 -14.186 1.00 0.00 C ATOM 1580 CG GLN A 103 4.443 -1.818 -14.239 1.00 0.00 C ATOM 1581 CD GLN A 103 3.018 -2.053 -14.699 1.00 0.00 C ATOM 1582 OE1 GLN A 103 2.643 -1.681 -15.811 1.00 0.00 O ATOM 1583 NE2 GLN A 103 2.215 -2.674 -13.843 1.00 0.00 N ATOM 0 H GLN A 103 6.885 -0.665 -15.467 1.00 0.00 H new ATOM 0 HA GLN A 103 4.261 -0.093 -16.250 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.715 -0.222 -13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.015 0.199 -13.667 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.128 -2.333 -14.913 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.579 -2.257 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.568 -2.965 -12.931 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.245 -2.860 -14.097 1.00 0.00 H new ATOM 1592 N LEU A 104 5.879 2.452 -14.899 1.00 0.00 N ATOM 1593 CA LEU A 104 5.864 3.903 -14.750 1.00 0.00 C ATOM 1594 C LEU A 104 7.074 4.533 -15.433 1.00 0.00 C ATOM 1595 O LEU A 104 8.114 4.767 -14.816 1.00 0.00 O ATOM 1596 CB LEU A 104 5.846 4.283 -13.268 1.00 0.00 C ATOM 1597 CG LEU A 104 4.608 3.851 -12.480 1.00 0.00 C ATOM 1598 CD1 LEU A 104 4.951 3.660 -11.011 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.491 4.872 -12.641 1.00 0.00 C ATOM 0 H LEU A 104 6.714 1.999 -14.528 1.00 0.00 H new ATOM 0 HA LEU A 104 4.961 4.283 -15.228 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.725 3.849 -12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.942 5.366 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 104 4.261 2.897 -12.878 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.058 3.353 -10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.718 2.892 -10.913 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.323 4.598 -10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.618 4.549 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.827 5.840 -12.270 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.227 4.959 -13.695 1.00 0.00 H new ATOM 1611 N PRO A 105 6.937 4.816 -16.736 1.00 0.00 N ATOM 1612 CA PRO A 105 8.007 5.426 -17.531 1.00 0.00 C ATOM 1613 C PRO A 105 8.263 6.878 -17.142 1.00 0.00 C ATOM 1614 O PRO A 105 9.348 7.410 -17.371 1.00 0.00 O ATOM 1615 CB PRO A 105 7.477 5.341 -18.965 1.00 0.00 C ATOM 1616 CG PRO A 105 5.995 5.300 -18.818 1.00 0.00 C ATOM 1617 CD PRO A 105 5.726 4.564 -17.535 1.00 0.00 C ATOM 0 HA PRO A 105 8.962 4.921 -17.385 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.793 6.201 -19.556 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.849 4.451 -19.473 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.578 6.307 -18.785 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.533 4.791 -19.664 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.831 4.938 -17.037 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.573 3.499 -17.707 1.00 0.00 H new ATOM 1625 N GLY A 106 7.255 7.514 -16.552 1.00 0.00 N ATOM 1626 CA GLY A 106 7.392 8.899 -16.141 1.00 0.00 C ATOM 1627 C GLY A 106 6.673 9.854 -17.073 1.00 0.00 C ATOM 1628 O GLY A 106 5.444 9.868 -17.132 1.00 0.00 O ATOM 0 H GLY A 106 6.347 7.095 -16.352 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.998 9.016 -15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.449 9.161 -16.103 1.00 0.00 H new