USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 535 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -61:sc= 0.113 USER MOD Single : A 20 CYS SG : rot -37:sc= -3.16! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -132:sc=-0.000565 (180deg=-0.345) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc=0.000839 K(o=0.00084,f=-3.4!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.224 USER MOD Single : A 39 THR OG1 : rot 76:sc= -0.603 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.8!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.145) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot -37:sc= 1.02 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00161) USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= -0.0126 (180deg=-0.247) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -139:sc=-0.00702 (180deg=-0.174) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.366 17.009 1.957 1.00 0.00 N ATOM 137 CA PRO A 9 2.255 15.547 2.192 1.00 0.00 C ATOM 138 C PRO A 9 0.908 15.203 2.835 1.00 0.00 C ATOM 139 O PRO A 9 0.709 15.399 4.018 1.00 0.00 O ATOM 140 CB PRO A 9 3.409 15.245 3.145 1.00 0.00 C ATOM 141 CG PRO A 9 3.680 16.535 3.848 1.00 0.00 C ATOM 142 CD PRO A 9 3.316 17.642 2.891 1.00 0.00 C ATOM 0 HA PRO A 9 2.306 14.964 1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.142 14.459 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.289 14.899 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.092 16.607 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.729 16.604 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.862 18.486 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.194 18.024 2.370 1.00 0.00 H new ATOM 150 N LYS A 10 -0.018 14.694 2.056 1.00 0.00 N ATOM 151 CA LYS A 10 -1.359 14.333 2.613 1.00 0.00 C ATOM 152 C LYS A 10 -1.203 13.269 3.706 1.00 0.00 C ATOM 153 O LYS A 10 -0.131 13.084 4.249 1.00 0.00 O ATOM 154 CB LYS A 10 -2.163 13.786 1.423 1.00 0.00 C ATOM 155 CG LYS A 10 -1.490 12.525 0.859 1.00 0.00 C ATOM 156 CD LYS A 10 -1.452 12.592 -0.674 1.00 0.00 C ATOM 157 CE LYS A 10 -0.037 12.945 -1.144 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.116 12.947 -2.631 1.00 0.00 N ATOM 0 H LYS A 10 0.098 14.513 1.059 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.860 15.186 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.180 13.553 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.237 14.546 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.477 12.436 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.036 11.637 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.757 11.635 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.161 13.339 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.274 13.918 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.691 12.216 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.816 13.181 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.408 12.006 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.812 13.655 -2.941 1.00 0.00 H new ATOM 172 N ARG A 11 -2.259 12.569 4.033 1.00 0.00 N ATOM 173 CA ARG A 11 -2.160 11.519 5.096 1.00 0.00 C ATOM 174 C ARG A 11 -1.291 10.349 4.604 1.00 0.00 C ATOM 175 O ARG A 11 -1.380 9.968 3.454 1.00 0.00 O ATOM 176 CB ARG A 11 -3.603 11.045 5.341 1.00 0.00 C ATOM 177 CG ARG A 11 -4.017 11.364 6.781 1.00 0.00 C ATOM 178 CD ARG A 11 -4.241 12.872 6.924 1.00 0.00 C ATOM 179 NE ARG A 11 -4.012 13.158 8.368 1.00 0.00 N ATOM 180 CZ ARG A 11 -4.983 13.625 9.103 1.00 0.00 C ATOM 181 NH1 ARG A 11 -5.376 14.861 8.954 1.00 0.00 N ATOM 182 NH2 ARG A 11 -5.562 12.858 9.985 1.00 0.00 N ATOM 0 H ARG A 11 -3.182 12.677 3.613 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.701 11.903 6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.280 11.535 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.679 9.973 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.929 10.824 7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.245 11.033 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.551 13.435 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.250 13.152 6.621 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.095 12.989 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.924 15.460 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.135 15.227 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.255 11.892 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.321 13.224 10.559 1.00 0.00 H new ATOM 196 N PRO A 12 -0.478 9.804 5.486 1.00 0.00 N ATOM 197 CA PRO A 12 0.387 8.666 5.095 1.00 0.00 C ATOM 198 C PRO A 12 -0.456 7.383 4.992 1.00 0.00 C ATOM 199 O PRO A 12 -1.275 7.126 5.852 1.00 0.00 O ATOM 200 CB PRO A 12 1.394 8.563 6.236 1.00 0.00 C ATOM 201 CG PRO A 12 0.709 9.170 7.419 1.00 0.00 C ATOM 202 CD PRO A 12 -0.283 10.179 6.898 1.00 0.00 C ATOM 0 HA PRO A 12 0.870 8.803 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.667 7.525 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.315 9.096 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.204 8.403 8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.433 9.649 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.220 10.138 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.098 11.196 6.990 1.00 0.00 H new ATOM 210 N PRO A 13 -0.244 6.615 3.943 1.00 0.00 N ATOM 211 CA PRO A 13 -1.020 5.367 3.768 1.00 0.00 C ATOM 212 C PRO A 13 -0.435 4.253 4.638 1.00 0.00 C ATOM 213 O PRO A 13 0.501 4.467 5.386 1.00 0.00 O ATOM 214 CB PRO A 13 -0.859 5.050 2.285 1.00 0.00 C ATOM 215 CG PRO A 13 0.421 5.707 1.869 1.00 0.00 C ATOM 216 CD PRO A 13 0.712 6.822 2.845 1.00 0.00 C ATOM 0 HA PRO A 13 -2.065 5.463 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.820 3.974 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.701 5.433 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.236 4.983 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.336 6.100 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.741 6.777 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.577 7.799 2.382 1.00 0.00 H new ATOM 224 N SER A 14 -0.983 3.066 4.552 1.00 0.00 N ATOM 225 CA SER A 14 -0.464 1.937 5.380 1.00 0.00 C ATOM 226 C SER A 14 -0.877 0.591 4.771 1.00 0.00 C ATOM 227 O SER A 14 -1.559 -0.200 5.393 1.00 0.00 O ATOM 228 CB SER A 14 -1.108 2.129 6.752 1.00 0.00 C ATOM 229 OG SER A 14 -0.546 1.199 7.670 1.00 0.00 O ATOM 0 H SER A 14 -1.767 2.831 3.944 1.00 0.00 H new ATOM 0 HA SER A 14 0.625 1.932 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.945 3.148 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.186 1.984 6.684 1.00 0.00 H new ATOM 0 HG SER A 14 -0.734 0.286 7.367 1.00 0.00 H new ATOM 235 N ALA A 15 -0.476 0.329 3.546 1.00 0.00 N ATOM 236 CA ALA A 15 -0.839 -0.958 2.860 1.00 0.00 C ATOM 237 C ALA A 15 -2.341 -1.002 2.583 1.00 0.00 C ATOM 238 O ALA A 15 -2.770 -0.827 1.459 1.00 0.00 O ATOM 239 CB ALA A 15 -0.412 -2.104 3.794 1.00 0.00 C ATOM 0 H ALA A 15 0.095 0.961 2.985 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.333 -1.048 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.658 -3.060 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.663 -2.051 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.938 -2.014 4.745 1.00 0.00 H new ATOM 245 N PHE A 16 -3.147 -1.243 3.592 1.00 0.00 N ATOM 246 CA PHE A 16 -4.636 -1.306 3.387 1.00 0.00 C ATOM 247 C PHE A 16 -5.137 -0.104 2.585 1.00 0.00 C ATOM 248 O PHE A 16 -5.865 -0.250 1.620 1.00 0.00 O ATOM 249 CB PHE A 16 -5.224 -1.267 4.791 1.00 0.00 C ATOM 250 CG PHE A 16 -6.671 -1.697 4.742 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.652 -0.802 4.298 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.030 -2.991 5.138 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.992 -1.202 4.250 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.371 -3.390 5.090 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.352 -2.496 4.646 1.00 0.00 C ATOM 0 H PHE A 16 -2.839 -1.399 4.552 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.924 -2.197 2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.660 -1.925 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.146 -0.260 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.375 0.196 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.273 -3.681 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.749 -0.512 3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.649 -4.388 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.386 -2.804 4.609 1.00 0.00 H new ATOM 265 N PHE A 17 -4.738 1.083 2.968 1.00 0.00 N ATOM 266 CA PHE A 17 -5.176 2.301 2.220 1.00 0.00 C ATOM 267 C PHE A 17 -4.707 2.195 0.768 1.00 0.00 C ATOM 268 O PHE A 17 -5.427 2.524 -0.154 1.00 0.00 O ATOM 269 CB PHE A 17 -4.495 3.478 2.923 1.00 0.00 C ATOM 270 CG PHE A 17 -5.185 4.764 2.534 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.933 5.344 1.286 1.00 0.00 C ATOM 272 CD2 PHE A 17 -6.075 5.375 3.424 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.573 6.536 0.926 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.714 6.569 3.065 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.462 7.149 1.816 1.00 0.00 C ATOM 0 H PHE A 17 -4.128 1.261 3.766 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.259 2.420 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.536 3.343 4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.441 3.520 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.245 4.872 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.269 4.927 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.381 6.982 -0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.401 7.042 3.752 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.954 8.070 1.539 1.00 0.00 H new ATOM 285 N LEU A 18 -3.499 1.730 0.570 1.00 0.00 N ATOM 286 CA LEU A 18 -2.962 1.589 -0.817 1.00 0.00 C ATOM 287 C LEU A 18 -3.816 0.600 -1.610 1.00 0.00 C ATOM 288 O LEU A 18 -4.187 0.856 -2.739 1.00 0.00 O ATOM 289 CB LEU A 18 -1.534 1.038 -0.663 1.00 0.00 C ATOM 290 CG LEU A 18 -0.686 1.937 0.253 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.747 1.404 0.291 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.670 3.374 -0.285 1.00 0.00 C ATOM 0 H LEU A 18 -2.861 1.441 1.311 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.973 2.540 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.573 0.029 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.062 0.965 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.117 1.933 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.354 2.037 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.746 0.385 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.164 1.410 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.067 4.001 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.243 3.382 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.689 3.760 -0.321 1.00 0.00 H new ATOM 304 N PHE A 19 -4.129 -0.529 -1.024 1.00 0.00 N ATOM 305 CA PHE A 19 -4.960 -1.545 -1.739 1.00 0.00 C ATOM 306 C PHE A 19 -6.355 -0.982 -2.011 1.00 0.00 C ATOM 307 O PHE A 19 -6.838 -1.016 -3.126 1.00 0.00 O ATOM 308 CB PHE A 19 -5.043 -2.743 -0.792 1.00 0.00 C ATOM 309 CG PHE A 19 -5.708 -3.900 -1.499 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.099 -4.047 -1.444 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.934 -4.824 -2.210 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.716 -5.119 -2.099 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.550 -5.896 -2.866 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.941 -6.044 -2.810 1.00 0.00 C ATOM 0 H PHE A 19 -3.844 -0.791 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.530 -1.822 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.044 -3.030 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.608 -2.476 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.696 -3.333 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.861 -4.710 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.789 -5.233 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.953 -6.609 -3.415 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.417 -6.872 -3.315 1.00 0.00 H new ATOM 324 N CYS A 20 -6.994 -0.447 -1.004 1.00 0.00 N ATOM 325 CA CYS A 20 -8.357 0.137 -1.205 1.00 0.00 C ATOM 326 C CYS A 20 -8.271 1.404 -2.066 1.00 0.00 C ATOM 327 O CYS A 20 -9.256 1.854 -2.615 1.00 0.00 O ATOM 328 CB CYS A 20 -8.860 0.478 0.199 1.00 0.00 C ATOM 329 SG CYS A 20 -10.663 0.638 0.171 1.00 0.00 S ATOM 0 H CYS A 20 -6.633 -0.388 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.026 -0.553 -1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.564 -0.301 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.407 1.408 0.544 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.031 1.201 -0.941 1.00 0.00 H new ATOM 335 N SER A 21 -7.106 1.995 -2.167 1.00 0.00 N ATOM 336 CA SER A 21 -6.963 3.247 -2.973 1.00 0.00 C ATOM 337 C SER A 21 -6.935 2.953 -4.479 1.00 0.00 C ATOM 338 O SER A 21 -7.123 3.850 -5.282 1.00 0.00 O ATOM 339 CB SER A 21 -5.631 3.856 -2.531 1.00 0.00 C ATOM 340 OG SER A 21 -5.263 4.886 -3.437 1.00 0.00 O ATOM 0 H SER A 21 -6.248 1.664 -1.726 1.00 0.00 H new ATOM 0 HA SER A 21 -7.807 3.918 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.719 4.258 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.858 3.088 -2.502 1.00 0.00 H new ATOM 0 HG SER A 21 -4.411 5.280 -3.156 1.00 0.00 H new ATOM 346 N GLU A 22 -6.680 1.727 -4.880 1.00 0.00 N ATOM 347 CA GLU A 22 -6.622 1.430 -6.349 1.00 0.00 C ATOM 348 C GLU A 22 -7.507 0.237 -6.751 1.00 0.00 C ATOM 349 O GLU A 22 -7.759 0.031 -7.924 1.00 0.00 O ATOM 350 CB GLU A 22 -5.149 1.117 -6.629 1.00 0.00 C ATOM 351 CG GLU A 22 -4.704 -0.097 -5.807 1.00 0.00 C ATOM 352 CD GLU A 22 -3.241 -0.416 -6.117 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.383 0.317 -5.652 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.001 -1.389 -6.814 1.00 0.00 O ATOM 0 H GLU A 22 -6.512 0.931 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.998 2.274 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.007 0.919 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.532 1.980 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.825 0.107 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.332 -0.957 -6.040 1.00 0.00 H new ATOM 361 N TYR A 23 -7.967 -0.556 -5.813 1.00 0.00 N ATOM 362 CA TYR A 23 -8.817 -1.736 -6.185 1.00 0.00 C ATOM 363 C TYR A 23 -10.303 -1.361 -6.266 1.00 0.00 C ATOM 364 O TYR A 23 -11.154 -2.227 -6.312 1.00 0.00 O ATOM 365 CB TYR A 23 -8.589 -2.761 -5.074 1.00 0.00 C ATOM 366 CG TYR A 23 -7.429 -3.658 -5.444 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.115 -3.248 -5.186 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.670 -4.899 -6.045 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.043 -4.080 -5.530 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.597 -5.731 -6.388 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.283 -5.321 -6.130 1.00 0.00 C ATOM 372 OH TYR A 23 -4.226 -6.141 -6.468 1.00 0.00 O ATOM 0 H TYR A 23 -7.794 -0.441 -4.814 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.547 -2.120 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.383 -2.252 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.489 -3.357 -4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.929 -2.291 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.683 -5.215 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.030 -3.764 -5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.783 -6.689 -6.851 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.568 -6.965 -6.874 1.00 0.00 H new ATOM 382 N ARG A 24 -10.626 -0.090 -6.291 1.00 0.00 N ATOM 383 CA ARG A 24 -12.057 0.317 -6.375 1.00 0.00 C ATOM 384 C ARG A 24 -12.556 0.411 -7.830 1.00 0.00 C ATOM 385 O ARG A 24 -13.627 -0.079 -8.107 1.00 0.00 O ATOM 386 CB ARG A 24 -12.142 1.680 -5.701 1.00 0.00 C ATOM 387 CG ARG A 24 -11.710 1.557 -4.240 1.00 0.00 C ATOM 388 CD ARG A 24 -11.886 2.908 -3.542 1.00 0.00 C ATOM 389 NE ARG A 24 -13.263 2.870 -2.975 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.464 3.200 -1.728 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.622 4.453 -1.402 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.508 2.275 -0.809 1.00 0.00 N ATOM 0 H ARG A 24 -9.958 0.680 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.689 -0.427 -5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.504 2.394 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.161 2.063 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.305 0.795 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.669 1.239 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.140 3.049 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.771 3.734 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.048 2.586 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.589 5.175 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.779 4.711 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.385 1.295 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.665 2.531 0.166 1.00 0.00 H new ATOM 406 N PRO A 25 -11.795 1.037 -8.721 1.00 0.00 N ATOM 407 CA PRO A 25 -12.256 1.164 -10.133 1.00 0.00 C ATOM 408 C PRO A 25 -12.326 -0.210 -10.804 1.00 0.00 C ATOM 409 O PRO A 25 -12.972 -0.375 -11.822 1.00 0.00 O ATOM 410 CB PRO A 25 -11.217 2.073 -10.784 1.00 0.00 C ATOM 411 CG PRO A 25 -9.998 1.927 -9.943 1.00 0.00 C ATOM 412 CD PRO A 25 -10.466 1.650 -8.537 1.00 0.00 C ATOM 0 HA PRO A 25 -13.261 1.576 -10.221 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.023 1.776 -11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.558 3.108 -10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.372 1.113 -10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.394 2.834 -9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.785 0.979 -8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.526 2.565 -7.948 1.00 0.00 H new ATOM 420 N LYS A 26 -11.701 -1.204 -10.221 1.00 0.00 N ATOM 421 CA LYS A 26 -11.772 -2.575 -10.803 1.00 0.00 C ATOM 422 C LYS A 26 -13.166 -3.133 -10.536 1.00 0.00 C ATOM 423 O LYS A 26 -13.858 -3.583 -11.427 1.00 0.00 O ATOM 424 CB LYS A 26 -10.727 -3.387 -10.042 1.00 0.00 C ATOM 425 CG LYS A 26 -10.526 -4.740 -10.728 1.00 0.00 C ATOM 426 CD LYS A 26 -11.604 -5.717 -10.256 1.00 0.00 C ATOM 427 CE LYS A 26 -11.141 -7.152 -10.515 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.371 -7.983 -10.379 1.00 0.00 N ATOM 0 H LYS A 26 -11.146 -1.123 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.588 -2.597 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.784 -2.842 -10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.048 -3.535 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.576 -4.622 -11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.537 -5.134 -10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.800 -5.573 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.539 -5.525 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.704 -7.253 -11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.378 -7.456 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.135 -8.982 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.761 -7.872 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.077 -7.675 -11.078 1.00 0.00 H new ATOM 442 N ILE A 27 -13.578 -3.094 -9.292 1.00 0.00 N ATOM 443 CA ILE A 27 -14.933 -3.605 -8.909 1.00 0.00 C ATOM 444 C ILE A 27 -16.013 -2.963 -9.783 1.00 0.00 C ATOM 445 O ILE A 27 -17.053 -3.539 -10.027 1.00 0.00 O ATOM 446 CB ILE A 27 -15.154 -3.143 -7.453 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.037 -3.636 -6.517 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.497 -3.672 -6.947 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.882 -5.151 -6.618 1.00 0.00 C ATOM 0 H ILE A 27 -13.027 -2.726 -8.517 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.990 -4.687 -9.028 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.144 -2.053 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.096 -3.151 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.267 -3.356 -5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.653 -3.345 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.300 -3.287 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.497 -4.761 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.087 -5.481 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.818 -5.632 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.630 -5.423 -7.643 1.00 0.00 H new ATOM 461 N LYS A 28 -15.781 -1.751 -10.206 1.00 0.00 N ATOM 462 CA LYS A 28 -16.813 -1.027 -11.015 1.00 0.00 C ATOM 463 C LYS A 28 -16.884 -1.608 -12.429 1.00 0.00 C ATOM 464 O LYS A 28 -17.946 -1.698 -13.016 1.00 0.00 O ATOM 465 CB LYS A 28 -16.409 0.471 -11.075 1.00 0.00 C ATOM 466 CG LYS A 28 -15.689 0.978 -9.807 1.00 0.00 C ATOM 467 CD LYS A 28 -16.382 0.527 -8.511 1.00 0.00 C ATOM 468 CE LYS A 28 -17.842 0.989 -8.510 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.779 2.461 -8.292 1.00 0.00 N ATOM 0 H LYS A 28 -14.924 -1.228 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.795 -1.138 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.760 0.627 -11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.304 1.072 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.661 0.617 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.644 2.067 -9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.335 -0.558 -8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.861 0.940 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.332 0.750 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.411 0.497 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.452 2.731 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.816 2.728 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.025 2.953 -9.174 1.00 0.00 H new ATOM 483 N SER A 29 -15.763 -1.995 -12.983 1.00 0.00 N ATOM 484 CA SER A 29 -15.762 -2.565 -14.369 1.00 0.00 C ATOM 485 C SER A 29 -16.660 -3.805 -14.445 1.00 0.00 C ATOM 486 O SER A 29 -17.157 -4.153 -15.500 1.00 0.00 O ATOM 487 CB SER A 29 -14.308 -2.943 -14.647 1.00 0.00 C ATOM 488 OG SER A 29 -14.154 -3.231 -16.031 1.00 0.00 O ATOM 0 H SER A 29 -14.847 -1.942 -12.537 1.00 0.00 H new ATOM 0 HA SER A 29 -16.147 -1.853 -15.099 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.646 -2.127 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.025 -3.810 -14.050 1.00 0.00 H new ATOM 0 HG SER A 29 -13.222 -3.472 -16.213 1.00 0.00 H new ATOM 494 N GLU A 30 -16.862 -4.476 -13.339 1.00 0.00 N ATOM 495 CA GLU A 30 -17.719 -5.702 -13.348 1.00 0.00 C ATOM 496 C GLU A 30 -18.943 -5.522 -12.442 1.00 0.00 C ATOM 497 O GLU A 30 -19.947 -6.190 -12.611 1.00 0.00 O ATOM 498 CB GLU A 30 -16.812 -6.815 -12.814 1.00 0.00 C ATOM 499 CG GLU A 30 -16.363 -7.717 -13.968 1.00 0.00 C ATOM 500 CD GLU A 30 -17.516 -8.636 -14.376 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.376 -8.185 -15.113 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.517 -9.777 -13.944 1.00 0.00 O ATOM 0 H GLU A 30 -16.471 -4.228 -12.430 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.105 -5.923 -14.343 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.943 -6.382 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.344 -7.403 -12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.050 -7.110 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.500 -8.311 -13.665 1.00 0.00 H new ATOM 509 N HIS A 31 -18.872 -4.632 -11.485 1.00 0.00 N ATOM 510 CA HIS A 31 -20.036 -4.416 -10.570 1.00 0.00 C ATOM 511 C HIS A 31 -20.498 -2.952 -10.657 1.00 0.00 C ATOM 512 O HIS A 31 -19.939 -2.096 -10.002 1.00 0.00 O ATOM 513 CB HIS A 31 -19.537 -4.729 -9.150 1.00 0.00 C ATOM 514 CG HIS A 31 -18.811 -6.049 -9.116 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.432 -6.131 -9.215 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.256 -7.342 -8.994 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.097 -7.431 -9.152 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.171 -8.215 -9.016 1.00 0.00 N ATOM 0 H HIS A 31 -18.059 -4.045 -11.297 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.880 -5.052 -10.839 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.873 -3.935 -8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.381 -4.755 -8.461 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.788 -5.347 -9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.290 -7.637 -8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.083 -7.798 -9.205 1.00 0.00 H new ATOM 526 N PRO A 32 -21.504 -2.703 -11.467 1.00 0.00 N ATOM 527 CA PRO A 32 -22.016 -1.321 -11.620 1.00 0.00 C ATOM 528 C PRO A 32 -22.841 -0.917 -10.398 1.00 0.00 C ATOM 529 O PRO A 32 -22.819 0.223 -9.973 1.00 0.00 O ATOM 530 CB PRO A 32 -22.889 -1.395 -12.868 1.00 0.00 C ATOM 531 CG PRO A 32 -23.302 -2.829 -12.983 1.00 0.00 C ATOM 532 CD PRO A 32 -22.251 -3.662 -12.299 1.00 0.00 C ATOM 0 HA PRO A 32 -21.222 -0.579 -11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.758 -0.742 -12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.338 -1.073 -13.752 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.276 -2.985 -12.519 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.397 -3.117 -14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.700 -4.448 -11.692 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.599 -4.151 -13.023 1.00 0.00 H new ATOM 540 N GLY A 33 -23.563 -1.845 -9.831 1.00 0.00 N ATOM 541 CA GLY A 33 -24.392 -1.530 -8.631 1.00 0.00 C ATOM 542 C GLY A 33 -23.510 -1.460 -7.374 1.00 0.00 C ATOM 543 O GLY A 33 -23.953 -1.025 -6.329 1.00 0.00 O ATOM 0 H GLY A 33 -23.615 -2.813 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.906 -0.580 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.161 -2.292 -8.502 1.00 0.00 H new ATOM 547 N LEU A 34 -22.271 -1.890 -7.462 1.00 0.00 N ATOM 548 CA LEU A 34 -21.365 -1.850 -6.267 1.00 0.00 C ATOM 549 C LEU A 34 -21.108 -0.400 -5.834 1.00 0.00 C ATOM 550 O LEU A 34 -20.085 0.178 -6.151 1.00 0.00 O ATOM 551 CB LEU A 34 -20.055 -2.518 -6.730 1.00 0.00 C ATOM 552 CG LEU A 34 -19.807 -3.823 -5.953 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.554 -3.501 -4.479 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.018 -4.760 -6.077 1.00 0.00 C ATOM 0 H LEU A 34 -21.848 -2.267 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.801 -2.361 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.106 -2.729 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.219 -1.835 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.934 -4.322 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.378 -4.426 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.680 -2.856 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.423 -2.991 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.826 -5.678 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.902 -4.268 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.187 -4.999 -7.127 1.00 0.00 H new ATOM 566 N SER A 35 -22.027 0.184 -5.107 1.00 0.00 N ATOM 567 CA SER A 35 -21.836 1.593 -4.640 1.00 0.00 C ATOM 568 C SER A 35 -20.822 1.618 -3.495 1.00 0.00 C ATOM 569 O SER A 35 -20.393 0.583 -3.023 1.00 0.00 O ATOM 570 CB SER A 35 -23.212 2.046 -4.151 1.00 0.00 C ATOM 571 OG SER A 35 -23.103 3.340 -3.574 1.00 0.00 O ATOM 0 H SER A 35 -22.902 -0.253 -4.816 1.00 0.00 H new ATOM 0 HA SER A 35 -21.457 2.246 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.918 2.064 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.601 1.340 -3.417 1.00 0.00 H new ATOM 0 HG SER A 35 -23.984 3.634 -3.261 1.00 0.00 H new ATOM 577 N ILE A 36 -20.431 2.788 -3.039 1.00 0.00 N ATOM 578 CA ILE A 36 -19.434 2.871 -1.917 1.00 0.00 C ATOM 579 C ILE A 36 -19.874 1.988 -0.740 1.00 0.00 C ATOM 580 O ILE A 36 -19.054 1.440 -0.027 1.00 0.00 O ATOM 581 CB ILE A 36 -19.402 4.351 -1.500 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.859 5.210 -2.655 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.503 4.522 -0.265 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.440 4.767 -3.029 1.00 0.00 C ATOM 0 H ILE A 36 -20.758 3.687 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.450 2.519 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.415 4.674 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.515 5.122 -3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.854 6.261 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.483 5.572 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.896 3.924 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.492 4.192 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.070 5.384 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.784 4.879 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.455 3.723 -3.340 1.00 0.00 H new ATOM 596 N GLY A 37 -21.159 1.847 -0.541 1.00 0.00 N ATOM 597 CA GLY A 37 -21.656 0.997 0.581 1.00 0.00 C ATOM 598 C GLY A 37 -21.143 -0.431 0.396 1.00 0.00 C ATOM 599 O GLY A 37 -20.239 -0.866 1.078 1.00 0.00 O ATOM 0 H GLY A 37 -21.886 2.284 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.315 1.398 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.746 1.005 0.604 1.00 0.00 H new ATOM 603 N ASP A 38 -21.710 -1.154 -0.534 1.00 0.00 N ATOM 604 CA ASP A 38 -21.259 -2.558 -0.778 1.00 0.00 C ATOM 605 C ASP A 38 -19.800 -2.589 -1.241 1.00 0.00 C ATOM 606 O ASP A 38 -19.129 -3.587 -1.087 1.00 0.00 O ATOM 607 CB ASP A 38 -22.181 -3.092 -1.877 1.00 0.00 C ATOM 608 CG ASP A 38 -23.361 -3.829 -1.240 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.224 -5.012 -0.979 1.00 0.00 O ATOM 610 OD2 ASP A 38 -24.383 -3.196 -1.026 1.00 0.00 O ATOM 0 H ASP A 38 -22.468 -0.833 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.311 -3.161 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.543 -2.270 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.630 -3.765 -2.534 1.00 0.00 H new ATOM 615 N THR A 39 -19.302 -1.510 -1.800 1.00 0.00 N ATOM 616 CA THR A 39 -17.878 -1.492 -2.265 1.00 0.00 C ATOM 617 C THR A 39 -16.935 -1.445 -1.057 1.00 0.00 C ATOM 618 O THR A 39 -15.968 -2.180 -0.987 1.00 0.00 O ATOM 619 CB THR A 39 -17.746 -0.228 -3.129 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.529 -0.385 -4.302 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.283 -0.005 -3.533 1.00 0.00 C ATOM 0 H THR A 39 -19.819 -0.644 -1.954 1.00 0.00 H new ATOM 0 HA THR A 39 -17.613 -2.384 -2.833 1.00 0.00 H new ATOM 0 HB THR A 39 -18.091 0.631 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.476 -0.264 -4.082 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.207 0.894 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.672 0.112 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.928 -0.863 -4.104 1.00 0.00 H new ATOM 629 N ALA A 40 -17.213 -0.589 -0.104 1.00 0.00 N ATOM 630 CA ALA A 40 -16.337 -0.490 1.109 1.00 0.00 C ATOM 631 C ALA A 40 -16.166 -1.873 1.749 1.00 0.00 C ATOM 632 O ALA A 40 -15.066 -2.302 2.038 1.00 0.00 O ATOM 633 CB ALA A 40 -17.073 0.453 2.062 1.00 0.00 C ATOM 0 H ALA A 40 -18.010 0.047 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.340 -0.123 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.491 0.574 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.205 1.424 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.049 0.034 2.307 1.00 0.00 H new ATOM 639 N LYS A 41 -17.253 -2.566 1.964 1.00 0.00 N ATOM 640 CA LYS A 41 -17.171 -3.924 2.579 1.00 0.00 C ATOM 641 C LYS A 41 -16.659 -4.964 1.564 1.00 0.00 C ATOM 642 O LYS A 41 -16.302 -6.066 1.936 1.00 0.00 O ATOM 643 CB LYS A 41 -18.598 -4.253 3.043 1.00 0.00 C ATOM 644 CG LYS A 41 -19.553 -4.342 1.853 1.00 0.00 C ATOM 645 CD LYS A 41 -20.991 -4.184 2.357 1.00 0.00 C ATOM 646 CE LYS A 41 -21.228 -2.735 2.806 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.825 -2.844 4.168 1.00 0.00 N ATOM 0 H LYS A 41 -18.196 -2.250 1.740 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.466 -3.946 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.599 -5.198 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.945 -3.486 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.321 -3.565 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.435 -5.299 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.694 -4.449 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.172 -4.866 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.295 -2.171 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.899 -2.215 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.015 -1.892 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.715 -3.379 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.162 -3.337 4.799 1.00 0.00 H new ATOM 661 N LYS A 42 -16.606 -4.624 0.294 1.00 0.00 N ATOM 662 CA LYS A 42 -16.102 -5.601 -0.726 1.00 0.00 C ATOM 663 C LYS A 42 -14.585 -5.737 -0.601 1.00 0.00 C ATOM 664 O LYS A 42 -14.058 -6.813 -0.393 1.00 0.00 O ATOM 665 CB LYS A 42 -16.463 -4.989 -2.087 1.00 0.00 C ATOM 666 CG LYS A 42 -16.895 -6.083 -3.067 1.00 0.00 C ATOM 667 CD LYS A 42 -18.293 -6.587 -2.701 1.00 0.00 C ATOM 668 CE LYS A 42 -18.180 -7.907 -1.930 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.789 -8.936 -2.820 1.00 0.00 N ATOM 0 H LYS A 42 -16.889 -3.717 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.537 -6.592 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.267 -4.263 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.605 -4.450 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.894 -5.693 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.183 -6.908 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.811 -5.844 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.886 -6.732 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.140 -8.145 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.705 -7.852 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.746 -9.866 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.781 -8.688 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.265 -8.973 -3.718 1.00 0.00 H new ATOM 683 N LEU A 43 -13.883 -4.642 -0.735 1.00 0.00 N ATOM 684 CA LEU A 43 -12.391 -4.671 -0.637 1.00 0.00 C ATOM 685 C LEU A 43 -11.937 -5.316 0.680 1.00 0.00 C ATOM 686 O LEU A 43 -10.923 -5.986 0.730 1.00 0.00 O ATOM 687 CB LEU A 43 -11.965 -3.202 -0.687 1.00 0.00 C ATOM 688 CG LEU A 43 -12.164 -2.665 -2.106 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.308 -1.142 -2.062 1.00 0.00 C ATOM 690 CD2 LEU A 43 -10.954 -3.038 -2.965 1.00 0.00 C ATOM 0 H LEU A 43 -14.282 -3.720 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.945 -5.260 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.552 -2.617 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.920 -3.104 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.065 -3.102 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.450 -0.761 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.169 -0.876 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.408 -0.704 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.094 -2.656 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.053 -2.601 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.851 -4.123 -2.998 1.00 0.00 H new ATOM 702 N GLY A 44 -12.678 -5.115 1.742 1.00 0.00 N ATOM 703 CA GLY A 44 -12.289 -5.711 3.056 1.00 0.00 C ATOM 704 C GLY A 44 -12.258 -7.238 2.949 1.00 0.00 C ATOM 705 O GLY A 44 -11.300 -7.876 3.345 1.00 0.00 O ATOM 0 H GLY A 44 -13.536 -4.563 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.310 -5.339 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.997 -5.406 3.827 1.00 0.00 H new ATOM 709 N GLU A 45 -13.302 -7.830 2.421 1.00 0.00 N ATOM 710 CA GLU A 45 -13.346 -9.325 2.289 1.00 0.00 C ATOM 711 C GLU A 45 -12.107 -9.844 1.548 1.00 0.00 C ATOM 712 O GLU A 45 -11.590 -10.902 1.857 1.00 0.00 O ATOM 713 CB GLU A 45 -14.607 -9.617 1.475 1.00 0.00 C ATOM 714 CG GLU A 45 -15.128 -11.012 1.822 1.00 0.00 C ATOM 715 CD GLU A 45 -15.781 -10.985 3.205 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.841 -10.392 3.326 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.211 -11.557 4.120 1.00 0.00 O ATOM 0 H GLU A 45 -14.129 -7.343 2.074 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.359 -9.815 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.371 -8.869 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.387 -9.554 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.850 -11.338 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.309 -11.731 1.809 1.00 0.00 H new ATOM 724 N MET A 46 -11.627 -9.102 0.584 1.00 0.00 N ATOM 725 CA MET A 46 -10.415 -9.544 -0.172 1.00 0.00 C ATOM 726 C MET A 46 -9.191 -9.479 0.743 1.00 0.00 C ATOM 727 O MET A 46 -8.440 -10.428 0.862 1.00 0.00 O ATOM 728 CB MET A 46 -10.275 -8.554 -1.330 1.00 0.00 C ATOM 729 CG MET A 46 -11.448 -8.730 -2.297 1.00 0.00 C ATOM 730 SD MET A 46 -11.242 -10.274 -3.218 1.00 0.00 S ATOM 731 CE MET A 46 -12.936 -10.390 -3.847 1.00 0.00 C ATOM 0 H MET A 46 -12.021 -8.209 0.287 1.00 0.00 H new ATOM 0 HA MET A 46 -10.499 -10.569 -0.533 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.254 -7.533 -0.949 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.332 -8.719 -1.851 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.388 -8.745 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.495 -7.887 -2.986 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.037 -11.289 -4.456 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.632 -10.438 -3.010 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.159 -9.513 -4.455 1.00 0.00 H new ATOM 741 N TRP A 47 -8.990 -8.357 1.388 1.00 0.00 N ATOM 742 CA TRP A 47 -7.814 -8.203 2.307 1.00 0.00 C ATOM 743 C TRP A 47 -7.748 -9.365 3.308 1.00 0.00 C ATOM 744 O TRP A 47 -6.765 -10.080 3.374 1.00 0.00 O ATOM 745 CB TRP A 47 -8.056 -6.882 3.042 1.00 0.00 C ATOM 746 CG TRP A 47 -6.762 -6.369 3.586 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.457 -6.267 4.900 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.597 -5.884 2.857 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.180 -5.752 5.024 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.608 -5.500 3.792 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.305 -5.743 1.488 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.373 -4.993 3.386 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.063 -5.233 1.075 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.100 -4.858 2.021 1.00 0.00 C ATOM 0 H TRP A 47 -9.591 -7.536 1.319 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.870 -8.206 1.761 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.492 -6.150 2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.770 -7.030 3.852 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.105 -6.543 5.719 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.717 -5.579 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.040 -6.029 0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.634 -4.707 4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.849 -5.129 0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.148 -4.465 1.696 1.00 0.00 H new ATOM 765 N SER A 48 -8.785 -9.553 4.086 1.00 0.00 N ATOM 766 CA SER A 48 -8.784 -10.667 5.086 1.00 0.00 C ATOM 767 C SER A 48 -8.648 -12.018 4.379 1.00 0.00 C ATOM 768 O SER A 48 -8.035 -12.935 4.891 1.00 0.00 O ATOM 769 CB SER A 48 -10.133 -10.570 5.800 1.00 0.00 C ATOM 770 OG SER A 48 -10.124 -11.426 6.936 1.00 0.00 O ATOM 0 H SER A 48 -9.632 -8.984 4.073 1.00 0.00 H new ATOM 0 HA SER A 48 -7.950 -10.588 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.322 -9.541 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.938 -10.854 5.122 1.00 0.00 H new ATOM 0 HG SER A 48 -10.986 -11.366 7.398 1.00 0.00 H new ATOM 776 N GLU A 49 -9.220 -12.145 3.209 1.00 0.00 N ATOM 777 CA GLU A 49 -9.132 -13.440 2.460 1.00 0.00 C ATOM 778 C GLU A 49 -7.668 -13.813 2.207 1.00 0.00 C ATOM 779 O GLU A 49 -7.280 -14.959 2.338 1.00 0.00 O ATOM 780 CB GLU A 49 -9.859 -13.192 1.134 1.00 0.00 C ATOM 781 CG GLU A 49 -11.285 -13.739 1.220 1.00 0.00 C ATOM 782 CD GLU A 49 -12.073 -13.306 -0.018 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.867 -13.899 -1.063 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.870 -12.390 0.102 1.00 0.00 O ATOM 0 H GLU A 49 -9.745 -11.409 2.738 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.577 -14.264 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.881 -12.125 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.322 -13.675 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.265 -14.827 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.773 -13.371 2.122 1.00 0.00 H new ATOM 791 N GLN A 50 -6.853 -12.852 1.849 1.00 0.00 N ATOM 792 CA GLN A 50 -5.408 -13.146 1.589 1.00 0.00 C ATOM 793 C GLN A 50 -4.712 -13.548 2.892 1.00 0.00 C ATOM 794 O GLN A 50 -5.255 -13.388 3.968 1.00 0.00 O ATOM 795 CB GLN A 50 -4.821 -11.841 1.046 1.00 0.00 C ATOM 796 CG GLN A 50 -5.321 -11.613 -0.383 1.00 0.00 C ATOM 797 CD GLN A 50 -4.652 -12.615 -1.324 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.520 -12.429 -1.724 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.308 -13.680 -1.698 1.00 0.00 N ATOM 0 H GLN A 50 -7.125 -11.877 1.725 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.275 -13.970 0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.113 -11.006 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.732 -11.886 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.404 -11.728 -0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.096 -10.595 -0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.258 -13.837 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.870 -14.355 -2.325 1.00 0.00 H new ATOM 808 N SER A 51 -3.514 -14.071 2.800 1.00 0.00 N ATOM 809 CA SER A 51 -2.780 -14.489 4.033 1.00 0.00 C ATOM 810 C SER A 51 -1.291 -14.150 3.912 1.00 0.00 C ATOM 811 O SER A 51 -0.518 -14.899 3.346 1.00 0.00 O ATOM 812 CB SER A 51 -2.978 -16.002 4.116 1.00 0.00 C ATOM 813 OG SER A 51 -4.368 -16.295 4.095 1.00 0.00 O ATOM 0 H SER A 51 -3.014 -14.226 1.925 1.00 0.00 H new ATOM 0 HA SER A 51 -3.148 -13.977 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.479 -16.492 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.527 -16.390 5.029 1.00 0.00 H new ATOM 0 HG SER A 51 -4.499 -17.265 4.147 1.00 0.00 H new ATOM 819 N ALA A 52 -0.883 -13.023 4.448 1.00 0.00 N ATOM 820 CA ALA A 52 0.560 -12.615 4.383 1.00 0.00 C ATOM 821 C ALA A 52 1.087 -12.673 2.943 1.00 0.00 C ATOM 822 O ALA A 52 2.157 -13.194 2.688 1.00 0.00 O ATOM 823 CB ALA A 52 1.304 -13.620 5.266 1.00 0.00 C ATOM 0 H ALA A 52 -1.492 -12.363 4.932 1.00 0.00 H new ATOM 0 HA ALA A 52 0.700 -11.588 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.368 -13.385 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.919 -13.565 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.156 -14.627 4.876 1.00 0.00 H new ATOM 829 N LYS A 53 0.344 -12.141 2.006 1.00 0.00 N ATOM 830 CA LYS A 53 0.797 -12.160 0.583 1.00 0.00 C ATOM 831 C LYS A 53 0.430 -10.843 -0.108 1.00 0.00 C ATOM 832 O LYS A 53 1.290 -10.099 -0.538 1.00 0.00 O ATOM 833 CB LYS A 53 0.051 -13.333 -0.056 1.00 0.00 C ATOM 834 CG LYS A 53 0.718 -13.702 -1.383 1.00 0.00 C ATOM 835 CD LYS A 53 0.006 -12.984 -2.532 1.00 0.00 C ATOM 836 CE LYS A 53 0.925 -12.943 -3.756 1.00 0.00 C ATOM 837 NZ LYS A 53 0.194 -12.116 -4.757 1.00 0.00 N ATOM 0 H LYS A 53 -0.559 -11.694 2.166 1.00 0.00 H new ATOM 0 HA LYS A 53 1.878 -12.271 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.057 -14.191 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.992 -13.066 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.771 -13.422 -1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.678 -14.781 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.922 -13.500 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.262 -11.971 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.891 -12.503 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.119 -13.945 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.761 -12.041 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.719 -12.563 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.029 -11.166 -4.368 1.00 0.00 H new ATOM 851 N ASP A 54 -0.842 -10.555 -0.216 1.00 0.00 N ATOM 852 CA ASP A 54 -1.276 -9.287 -0.882 1.00 0.00 C ATOM 853 C ASP A 54 -0.749 -8.065 -0.126 1.00 0.00 C ATOM 854 O ASP A 54 -0.725 -6.973 -0.659 1.00 0.00 O ATOM 855 CB ASP A 54 -2.806 -9.316 -0.845 1.00 0.00 C ATOM 856 CG ASP A 54 -3.360 -8.277 -1.822 1.00 0.00 C ATOM 857 OD1 ASP A 54 -3.548 -7.144 -1.409 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.588 -8.632 -2.968 1.00 0.00 O ATOM 0 H ASP A 54 -1.601 -11.143 0.128 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.890 -9.215 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.168 -10.309 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.160 -9.107 0.164 1.00 0.00 H new ATOM 863 N LYS A 55 -0.335 -8.229 1.108 1.00 0.00 N ATOM 864 CA LYS A 55 0.178 -7.063 1.887 1.00 0.00 C ATOM 865 C LYS A 55 1.711 -7.036 1.879 1.00 0.00 C ATOM 866 O LYS A 55 2.309 -5.984 1.927 1.00 0.00 O ATOM 867 CB LYS A 55 -0.346 -7.275 3.309 1.00 0.00 C ATOM 868 CG LYS A 55 0.071 -6.098 4.194 1.00 0.00 C ATOM 869 CD LYS A 55 -0.788 -6.082 5.461 1.00 0.00 C ATOM 870 CE LYS A 55 -0.586 -4.756 6.198 1.00 0.00 C ATOM 871 NZ LYS A 55 0.757 -4.871 6.832 1.00 0.00 N ATOM 0 H LYS A 55 -0.331 -9.119 1.606 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.152 -6.114 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.432 -7.366 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.047 -8.206 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.125 -6.183 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.047 -5.161 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.839 -6.210 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.515 -6.915 6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.627 -3.911 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.363 -4.597 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.689 -4.614 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.098 -5.850 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.422 -4.230 6.355 1.00 0.00 H new ATOM 885 N GLN A 56 2.346 -8.184 1.842 1.00 0.00 N ATOM 886 CA GLN A 56 3.853 -8.242 1.859 1.00 0.00 C ATOM 887 C GLN A 56 4.491 -7.189 0.922 1.00 0.00 C ATOM 888 O GLN A 56 5.280 -6.384 1.371 1.00 0.00 O ATOM 889 CB GLN A 56 4.201 -9.658 1.393 1.00 0.00 C ATOM 890 CG GLN A 56 4.487 -10.546 2.607 1.00 0.00 C ATOM 891 CD GLN A 56 5.366 -11.724 2.183 1.00 0.00 C ATOM 892 OE1 GLN A 56 4.979 -12.516 1.347 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.543 -11.873 2.727 1.00 0.00 N ATOM 0 H GLN A 56 1.886 -9.093 1.800 1.00 0.00 H new ATOM 0 HA GLN A 56 4.241 -8.020 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.377 -10.073 0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.071 -9.632 0.737 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.986 -9.967 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.552 -10.911 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.868 -11.208 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.138 -12.654 2.450 1.00 0.00 H new ATOM 902 N PRO A 57 4.138 -7.218 -0.345 1.00 0.00 N ATOM 903 CA PRO A 57 4.707 -6.232 -1.299 1.00 0.00 C ATOM 904 C PRO A 57 4.000 -4.877 -1.163 1.00 0.00 C ATOM 905 O PRO A 57 4.598 -3.834 -1.341 1.00 0.00 O ATOM 906 CB PRO A 57 4.411 -6.841 -2.662 1.00 0.00 C ATOM 907 CG PRO A 57 3.211 -7.704 -2.450 1.00 0.00 C ATOM 908 CD PRO A 57 3.210 -8.146 -1.009 1.00 0.00 C ATOM 0 HA PRO A 57 5.768 -6.047 -1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.214 -6.068 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.257 -7.424 -3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.299 -7.154 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.239 -8.568 -3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.211 -8.088 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.541 -9.180 -0.909 1.00 0.00 H new ATOM 916 N TYR A 58 2.721 -4.892 -0.886 1.00 0.00 N ATOM 917 CA TYR A 58 1.952 -3.614 -0.774 1.00 0.00 C ATOM 918 C TYR A 58 2.079 -2.980 0.622 1.00 0.00 C ATOM 919 O TYR A 58 1.432 -1.991 0.907 1.00 0.00 O ATOM 920 CB TYR A 58 0.501 -4.019 -1.047 1.00 0.00 C ATOM 921 CG TYR A 58 0.165 -3.771 -2.499 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.291 -2.512 -2.908 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.309 -4.801 -3.436 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.603 -2.284 -4.253 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.003 -4.573 -4.781 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.459 -3.314 -5.191 1.00 0.00 C ATOM 927 OH TYR A 58 -0.767 -3.089 -6.516 1.00 0.00 O ATOM 0 H TYR A 58 2.173 -5.738 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 58 2.325 -2.862 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.356 -5.072 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.172 -3.449 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.402 -1.717 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.661 -5.772 -3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.955 -1.313 -4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.108 -5.368 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.546 -2.497 -6.575 1.00 0.00 H new ATOM 937 N GLU A 59 2.900 -3.525 1.492 1.00 0.00 N ATOM 938 CA GLU A 59 3.045 -2.924 2.857 1.00 0.00 C ATOM 939 C GLU A 59 4.330 -2.087 2.946 1.00 0.00 C ATOM 940 O GLU A 59 4.450 -1.216 3.786 1.00 0.00 O ATOM 941 CB GLU A 59 3.099 -4.113 3.830 1.00 0.00 C ATOM 942 CG GLU A 59 4.328 -4.990 3.534 1.00 0.00 C ATOM 943 CD GLU A 59 5.297 -4.944 4.718 1.00 0.00 C ATOM 944 OE1 GLU A 59 4.927 -5.415 5.781 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.394 -4.438 4.542 1.00 0.00 O ATOM 0 H GLU A 59 3.471 -4.352 1.317 1.00 0.00 H new ATOM 0 HA GLU A 59 2.219 -2.253 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.142 -3.750 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.190 -4.707 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.016 -6.018 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.827 -4.639 2.630 1.00 0.00 H new ATOM 952 N GLN A 60 5.283 -2.338 2.080 1.00 0.00 N ATOM 953 CA GLN A 60 6.551 -1.549 2.110 1.00 0.00 C ATOM 954 C GLN A 60 6.343 -0.183 1.444 1.00 0.00 C ATOM 955 O GLN A 60 7.059 0.762 1.716 1.00 0.00 O ATOM 956 CB GLN A 60 7.577 -2.389 1.336 1.00 0.00 C ATOM 957 CG GLN A 60 7.090 -2.637 -0.093 1.00 0.00 C ATOM 958 CD GLN A 60 8.284 -2.976 -0.989 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.001 -2.097 -1.422 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.528 -4.223 -1.285 1.00 0.00 N ATOM 0 H GLN A 60 5.236 -3.054 1.356 1.00 0.00 H new ATOM 0 HA GLN A 60 6.887 -1.353 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.538 -1.874 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.736 -3.340 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.369 -3.454 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.577 -1.753 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.925 -4.961 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.322 -4.460 -1.880 1.00 0.00 H new ATOM 969 N LYS A 61 5.365 -0.074 0.577 1.00 0.00 N ATOM 970 CA LYS A 61 5.102 1.231 -0.106 1.00 0.00 C ATOM 971 C LYS A 61 4.709 2.292 0.926 1.00 0.00 C ATOM 972 O LYS A 61 5.137 3.429 0.852 1.00 0.00 O ATOM 973 CB LYS A 61 3.939 0.953 -1.066 1.00 0.00 C ATOM 974 CG LYS A 61 3.574 2.230 -1.827 1.00 0.00 C ATOM 975 CD LYS A 61 2.691 1.877 -3.025 1.00 0.00 C ATOM 976 CE LYS A 61 2.629 3.069 -3.982 1.00 0.00 C ATOM 977 NZ LYS A 61 1.627 3.992 -3.381 1.00 0.00 N ATOM 0 H LYS A 61 4.737 -0.833 0.313 1.00 0.00 H new ATOM 0 HA LYS A 61 5.979 1.608 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.216 0.167 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.075 0.592 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.050 2.922 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.479 2.735 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.091 1.004 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.688 1.616 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.602 3.550 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.329 2.757 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.516 4.828 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.713 3.503 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.951 4.291 -2.439 1.00 0.00 H new ATOM 991 N ALA A 62 3.898 1.926 1.885 1.00 0.00 N ATOM 992 CA ALA A 62 3.474 2.910 2.929 1.00 0.00 C ATOM 993 C ALA A 62 4.639 3.245 3.871 1.00 0.00 C ATOM 994 O ALA A 62 4.545 4.156 4.672 1.00 0.00 O ATOM 995 CB ALA A 62 2.349 2.217 3.698 1.00 0.00 C ATOM 0 H ALA A 62 3.510 0.989 1.991 1.00 0.00 H new ATOM 0 HA ALA A 62 3.151 3.852 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.984 2.878 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.533 1.981 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.726 1.297 4.144 1.00 0.00 H new ATOM 1001 N ALA A 63 5.737 2.532 3.777 1.00 0.00 N ATOM 1002 CA ALA A 63 6.902 2.829 4.662 1.00 0.00 C ATOM 1003 C ALA A 63 7.824 3.871 4.012 1.00 0.00 C ATOM 1004 O ALA A 63 8.868 4.197 4.545 1.00 0.00 O ATOM 1005 CB ALA A 63 7.630 1.494 4.815 1.00 0.00 C ATOM 0 H ALA A 63 5.874 1.759 3.126 1.00 0.00 H new ATOM 0 HA ALA A 63 6.591 3.242 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.503 1.627 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.958 0.763 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.949 1.139 3.835 1.00 0.00 H new ATOM 1011 N LYS A 64 7.445 4.409 2.873 1.00 0.00 N ATOM 1012 CA LYS A 64 8.290 5.439 2.202 1.00 0.00 C ATOM 1013 C LYS A 64 7.652 6.815 2.372 1.00 0.00 C ATOM 1014 O LYS A 64 8.327 7.822 2.469 1.00 0.00 O ATOM 1015 CB LYS A 64 8.294 5.037 0.729 1.00 0.00 C ATOM 1016 CG LYS A 64 9.220 3.838 0.526 1.00 0.00 C ATOM 1017 CD LYS A 64 10.668 4.253 0.799 1.00 0.00 C ATOM 1018 CE LYS A 64 11.617 3.173 0.276 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.710 3.419 -1.189 1.00 0.00 N ATOM 0 H LYS A 64 6.582 4.174 2.382 1.00 0.00 H new ATOM 0 HA LYS A 64 9.297 5.493 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.283 4.787 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.626 5.874 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.932 3.026 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.125 3.461 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.882 5.205 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.820 4.399 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.596 3.244 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.232 2.175 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.609 2.518 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.952 4.069 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.634 3.842 -1.412 1.00 0.00 H new ATOM 1033 N LEU A 65 6.347 6.854 2.412 1.00 0.00 N ATOM 1034 CA LEU A 65 5.626 8.151 2.580 1.00 0.00 C ATOM 1035 C LEU A 65 5.631 8.599 4.052 1.00 0.00 C ATOM 1036 O LEU A 65 5.081 9.631 4.387 1.00 0.00 O ATOM 1037 CB LEU A 65 4.197 7.870 2.114 1.00 0.00 C ATOM 1038 CG LEU A 65 4.081 8.160 0.617 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.607 6.964 -0.177 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.614 8.403 0.259 1.00 0.00 C ATOM 0 H LEU A 65 5.743 6.035 2.335 1.00 0.00 H new ATOM 0 HA LEU A 65 6.098 8.952 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.936 6.831 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.494 8.489 2.671 1.00 0.00 H new ATOM 0 HG LEU A 65 4.668 9.045 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.524 7.171 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.652 6.789 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.020 6.079 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.529 8.610 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.028 7.517 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.238 9.255 0.825 1.00 0.00 H new ATOM 1052 N LYS A 66 6.254 7.844 4.930 1.00 0.00 N ATOM 1053 CA LYS A 66 6.299 8.241 6.368 1.00 0.00 C ATOM 1054 C LYS A 66 7.575 9.041 6.650 1.00 0.00 C ATOM 1055 O LYS A 66 7.637 9.814 7.588 1.00 0.00 O ATOM 1056 CB LYS A 66 6.307 6.925 7.144 1.00 0.00 C ATOM 1057 CG LYS A 66 5.915 7.188 8.600 1.00 0.00 C ATOM 1058 CD LYS A 66 5.712 5.856 9.324 1.00 0.00 C ATOM 1059 CE LYS A 66 5.325 6.120 10.781 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.811 4.817 11.284 1.00 0.00 N ATOM 0 H LYS A 66 6.732 6.971 4.708 1.00 0.00 H new ATOM 0 HA LYS A 66 5.457 8.872 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.611 6.219 6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.297 6.470 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.692 7.769 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.000 7.779 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.933 5.276 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.626 5.264 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.183 6.457 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.565 6.898 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.525 4.917 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.991 4.525 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.558 4.097 11.210 1.00 0.00 H new ATOM 1074 N GLU A 67 8.593 8.867 5.839 1.00 0.00 N ATOM 1075 CA GLU A 67 9.863 9.622 6.047 1.00 0.00 C ATOM 1076 C GLU A 67 9.788 11.004 5.378 1.00 0.00 C ATOM 1077 O GLU A 67 10.615 11.862 5.627 1.00 0.00 O ATOM 1078 CB GLU A 67 10.943 8.764 5.385 1.00 0.00 C ATOM 1079 CG GLU A 67 11.533 7.801 6.415 1.00 0.00 C ATOM 1080 CD GLU A 67 12.684 7.016 5.781 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.782 7.546 5.738 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.446 5.900 5.350 1.00 0.00 O ATOM 0 H GLU A 67 8.595 8.232 5.041 1.00 0.00 H new ATOM 0 HA GLU A 67 10.067 9.798 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.518 8.205 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.727 9.400 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.891 8.355 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.763 7.115 6.770 1.00 0.00 H new ATOM 1089 N LYS A 68 8.802 11.229 4.542 1.00 0.00 N ATOM 1090 CA LYS A 68 8.668 12.556 3.869 1.00 0.00 C ATOM 1091 C LYS A 68 7.563 13.366 4.551 1.00 0.00 C ATOM 1092 O LYS A 68 7.617 14.579 4.615 1.00 0.00 O ATOM 1093 CB LYS A 68 8.286 12.233 2.420 1.00 0.00 C ATOM 1094 CG LYS A 68 9.121 13.086 1.463 1.00 0.00 C ATOM 1095 CD LYS A 68 8.414 13.176 0.110 1.00 0.00 C ATOM 1096 CE LYS A 68 7.313 14.237 0.177 1.00 0.00 C ATOM 1097 NZ LYS A 68 8.020 15.536 -0.011 1.00 0.00 N ATOM 0 H LYS A 68 8.084 10.548 4.298 1.00 0.00 H new ATOM 0 HA LYS A 68 9.582 13.147 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.452 11.175 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.225 12.426 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.263 14.084 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.112 12.648 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.131 13.430 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.986 12.209 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.564 14.079 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.792 14.206 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.624 16.244 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.033 15.412 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.897 15.860 -0.992 1.00 0.00 H new ATOM 1111 N TYR A 69 6.568 12.692 5.068 1.00 0.00 N ATOM 1112 CA TYR A 69 5.451 13.402 5.762 1.00 0.00 C ATOM 1113 C TYR A 69 5.924 13.889 7.136 1.00 0.00 C ATOM 1114 O TYR A 69 5.826 15.056 7.457 1.00 0.00 O ATOM 1115 CB TYR A 69 4.342 12.347 5.907 1.00 0.00 C ATOM 1116 CG TYR A 69 3.169 12.918 6.676 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.225 13.012 8.072 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.027 13.351 5.993 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.140 13.539 8.784 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.942 13.878 6.704 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.999 13.971 8.100 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.070 14.490 8.801 1.00 0.00 O ATOM 0 H TYR A 69 6.481 11.676 5.039 1.00 0.00 H new ATOM 0 HA TYR A 69 5.103 14.278 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.013 12.017 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.731 11.469 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.106 12.678 8.600 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.982 13.279 4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.184 13.612 9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.061 14.213 6.176 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.780 14.743 8.175 1.00 0.00 H new ATOM 1132 N GLU A 70 6.428 12.993 7.944 1.00 0.00 N ATOM 1133 CA GLU A 70 6.902 13.384 9.310 1.00 0.00 C ATOM 1134 C GLU A 70 8.123 14.312 9.236 1.00 0.00 C ATOM 1135 O GLU A 70 8.513 14.901 10.227 1.00 0.00 O ATOM 1136 CB GLU A 70 7.275 12.068 9.996 1.00 0.00 C ATOM 1137 CG GLU A 70 6.001 11.309 10.369 1.00 0.00 C ATOM 1138 CD GLU A 70 6.363 10.094 11.226 1.00 0.00 C ATOM 1139 OE1 GLU A 70 7.011 10.281 12.242 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.986 8.995 10.851 1.00 0.00 O ATOM 0 H GLU A 70 6.533 12.004 7.718 1.00 0.00 H new ATOM 0 HA GLU A 70 6.134 13.933 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.891 11.461 9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.868 12.266 10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.322 11.963 10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.479 10.989 9.468 1.00 0.00 H new ATOM 1147 N LYS A 71 8.735 14.443 8.083 1.00 0.00 N ATOM 1148 CA LYS A 71 9.933 15.330 7.968 1.00 0.00 C ATOM 1149 C LYS A 71 9.564 16.648 7.281 1.00 0.00 C ATOM 1150 O LYS A 71 10.152 17.680 7.548 1.00 0.00 O ATOM 1151 CB LYS A 71 10.925 14.542 7.113 1.00 0.00 C ATOM 1152 CG LYS A 71 12.354 14.907 7.521 1.00 0.00 C ATOM 1153 CD LYS A 71 13.290 13.739 7.203 1.00 0.00 C ATOM 1154 CE LYS A 71 13.148 12.662 8.281 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.577 11.398 7.619 1.00 0.00 N ATOM 0 H LYS A 71 8.457 13.975 7.220 1.00 0.00 H new ATOM 0 HA LYS A 71 10.345 15.590 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.761 13.472 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.769 14.765 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.678 15.802 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.392 15.138 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.050 13.323 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.322 14.088 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.771 12.885 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.120 12.592 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.508 10.611 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.962 11.208 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.561 11.492 7.297 1.00 0.00 H new ATOM 1169 N ASP A 72 8.605 16.619 6.389 1.00 0.00 N ATOM 1170 CA ASP A 72 8.205 17.867 5.672 1.00 0.00 C ATOM 1171 C ASP A 72 7.058 18.574 6.401 1.00 0.00 C ATOM 1172 O ASP A 72 6.943 19.785 6.357 1.00 0.00 O ATOM 1173 CB ASP A 72 7.750 17.396 4.291 1.00 0.00 C ATOM 1174 CG ASP A 72 7.671 18.594 3.342 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.717 19.095 2.964 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.566 18.990 3.011 1.00 0.00 O ATOM 0 H ASP A 72 8.082 15.784 6.127 1.00 0.00 H new ATOM 0 HA ASP A 72 9.024 18.584 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.447 16.655 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.776 16.911 4.363 1.00 0.00 H new ATOM 1181 N ILE A 73 6.203 17.831 7.061 1.00 0.00 N ATOM 1182 CA ILE A 73 5.056 18.467 7.781 1.00 0.00 C ATOM 1183 C ILE A 73 5.556 19.325 8.958 1.00 0.00 C ATOM 1184 O ILE A 73 4.855 20.199 9.436 1.00 0.00 O ATOM 1185 CB ILE A 73 4.171 17.296 8.253 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.789 17.832 8.635 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.793 16.582 9.463 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.882 17.816 7.402 1.00 0.00 C ATOM 0 H ILE A 73 6.250 16.815 7.132 1.00 0.00 H new ATOM 0 HA ILE A 73 4.494 19.148 7.141 1.00 0.00 H new ATOM 0 HB ILE A 73 4.086 16.577 7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.356 17.222 9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.875 18.846 9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.146 15.761 9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.772 16.189 9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.902 17.289 10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.897 18.197 7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.315 18.445 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.788 16.795 7.033 1.00 0.00 H new