USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 11 LYS NZ :NH3+ 147:sc= 0.538 (180deg=-1.86!) USER MOD Set 1.2: A 58 TYR OH : rot 150:sc= -0.521! USER MOD Set 2.1: A 14 HIS : no HD1:sc= 0.0217 K(o=-0.51,f=-20!) USER MOD Set 2.2: A 49 SER OG : rot 73:sc= -0.794! USER MOD Set 2.3: A 86 SER OG : rot -136:sc= -0.614! USER MOD Set 2.4: A 91 HIS : no HE2:sc= 0.872 K(o=-0.51,f=-19!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -177:sc= -4.3! USER MOD Single : A 13 SER OG : rot 180:sc= -0.53 USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= -0.263 (180deg=-2.27!) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= 0.333 (180deg=-2.79!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 27 GLN :FLIP amide:sc= -5.84! C(o=-6.7!,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.725! (180deg=-1.21!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -0.337 (180deg=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0.993 (180deg=-0.185!) USER MOD Single : A 44 SER OG : rot -59:sc= 0.662 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.176 (180deg=-0.999) USER MOD Single : A 55 SER OG : rot 103:sc= 0.417 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0804 (180deg=-0.645) USER MOD Single : A 64 MET CE :methyl -106:sc= -4.81 (180deg=-12.1!) USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= -4.48! (180deg=-11!) USER MOD Single : A 76 GLN : amide:sc= 1.17 K(o=1.2,f=-0.43) USER MOD Single : A 81 SER OG : rot 86:sc= 0.944 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= 0.53! (180deg=-0.56!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.608 8.888 0.323 1.00 0.00 N ATOM 97 CA LYS A 9 -11.419 8.214 0.786 1.00 0.00 C ATOM 98 C LYS A 9 -10.981 7.166 -0.219 1.00 0.00 C ATOM 99 O LYS A 9 -11.767 6.740 -1.070 1.00 0.00 O ATOM 100 CB LYS A 9 -11.710 7.527 2.108 1.00 0.00 C ATOM 101 CG LYS A 9 -12.049 8.580 3.153 1.00 0.00 C ATOM 102 CD LYS A 9 -12.315 7.901 4.489 1.00 0.00 C ATOM 103 CE LYS A 9 -12.695 8.961 5.512 1.00 0.00 C ATOM 104 NZ LYS A 9 -14.139 9.250 5.388 1.00 0.00 N ATOM 0 HA LYS A 9 -10.626 8.952 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.540 6.829 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.846 6.945 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.227 9.289 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.925 9.149 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.117 7.170 4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.429 7.358 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.465 8.612 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.114 9.868 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.409 9.974 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.342 9.598 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.683 8.381 5.564 1.00 0.00 H new ATOM 118 N ILE A 10 -9.779 6.667 -0.036 1.00 0.00 N ATOM 119 CA ILE A 10 -9.260 5.589 -0.848 1.00 0.00 C ATOM 120 C ILE A 10 -9.149 4.366 0.038 1.00 0.00 C ATOM 121 O ILE A 10 -8.600 4.453 1.138 1.00 0.00 O ATOM 122 CB ILE A 10 -7.858 5.933 -1.385 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.881 7.269 -2.123 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.413 4.840 -2.372 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.450 7.694 -2.454 1.00 0.00 C ATOM 0 H ILE A 10 -9.133 6.997 0.681 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.923 5.418 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.168 5.996 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.466 7.181 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.364 8.028 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.421 5.078 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.383 3.878 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.120 4.788 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.466 8.648 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.879 7.799 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.983 6.938 -3.086 1.00 0.00 H new ATOM 137 N LYS A 11 -9.649 3.242 -0.427 1.00 0.00 N ATOM 138 CA LYS A 11 -9.524 2.004 0.317 1.00 0.00 C ATOM 139 C LYS A 11 -8.256 1.309 -0.133 1.00 0.00 C ATOM 140 O LYS A 11 -8.195 0.797 -1.254 1.00 0.00 O ATOM 141 CB LYS A 11 -10.702 1.093 0.002 1.00 0.00 C ATOM 142 CG LYS A 11 -12.011 1.701 0.484 1.00 0.00 C ATOM 143 CD LYS A 11 -13.178 0.827 -0.021 1.00 0.00 C ATOM 144 CE LYS A 11 -13.246 -0.479 0.792 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.614 -1.035 0.721 1.00 0.00 N ATOM 0 H LYS A 11 -10.145 3.158 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.500 2.218 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.753 0.918 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.552 0.123 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.024 1.756 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.114 2.720 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.118 1.372 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.043 0.600 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.528 -1.200 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.973 -0.288 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.568 -2.074 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.169 -0.695 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.068 -0.728 -0.163 1.00 0.00 H new ATOM 159 N CYS A 12 -7.233 1.301 0.689 1.00 0.00 N ATOM 160 CA CYS A 12 -5.981 0.688 0.267 1.00 0.00 C ATOM 161 C CYS A 12 -5.220 0.056 1.411 1.00 0.00 C ATOM 162 O CYS A 12 -5.510 0.295 2.589 1.00 0.00 O ATOM 163 CB CYS A 12 -5.103 1.707 -0.478 1.00 0.00 C ATOM 164 SG CYS A 12 -3.575 2.000 0.443 1.00 0.00 S ATOM 0 H CYS A 12 -7.232 1.698 1.629 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.242 -0.121 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.870 1.337 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.646 2.644 -0.604 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.868 2.906 -0.166 1.00 0.00 H new ATOM 170 N SER A 13 -4.230 -0.734 1.053 1.00 0.00 N ATOM 171 CA SER A 13 -3.345 -1.363 2.004 1.00 0.00 C ATOM 172 C SER A 13 -1.920 -1.210 1.507 1.00 0.00 C ATOM 173 O SER A 13 -1.698 -1.136 0.295 1.00 0.00 O ATOM 174 CB SER A 13 -3.697 -2.835 2.145 1.00 0.00 C ATOM 175 OG SER A 13 -5.105 -2.966 2.381 1.00 0.00 O ATOM 0 H SER A 13 -4.017 -0.959 0.081 1.00 0.00 H new ATOM 0 HA SER A 13 -3.449 -0.891 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.416 -3.376 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.136 -3.277 2.968 1.00 0.00 H new ATOM 0 HG SER A 13 -5.335 -3.914 2.471 1.00 0.00 H new ATOM 181 N HIS A 14 -0.958 -1.140 2.415 1.00 0.00 N ATOM 182 CA HIS A 14 0.425 -0.943 1.985 1.00 0.00 C ATOM 183 C HIS A 14 1.415 -1.783 2.764 1.00 0.00 C ATOM 184 O HIS A 14 1.223 -2.061 3.958 1.00 0.00 O ATOM 185 CB HIS A 14 0.826 0.553 1.994 1.00 0.00 C ATOM 186 CG HIS A 14 1.477 0.957 3.296 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.594 1.793 3.329 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.181 0.698 4.610 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.904 2.003 4.630 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.072 1.348 5.443 1.00 0.00 N ATOM 0 H HIS A 14 -1.097 -1.213 3.423 1.00 0.00 H new ATOM 0 HA HIS A 14 0.467 -1.293 0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.512 0.749 1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.059 1.167 1.826 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.366 0.074 4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.722 2.623 4.968 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.090 1.331 6.463 1.00 0.00 H new ATOM 198 N ILE A 15 2.480 -2.130 2.091 1.00 0.00 N ATOM 199 CA ILE A 15 3.572 -2.857 2.669 1.00 0.00 C ATOM 200 C ILE A 15 4.836 -2.046 2.443 1.00 0.00 C ATOM 201 O ILE A 15 5.169 -1.728 1.302 1.00 0.00 O ATOM 202 CB ILE A 15 3.677 -4.239 1.978 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.390 -5.026 2.242 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.873 -5.042 2.514 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.363 -6.284 1.379 1.00 0.00 C ATOM 0 H ILE A 15 2.612 -1.909 1.104 1.00 0.00 H new ATOM 0 HA ILE A 15 3.424 -3.016 3.737 1.00 0.00 H new ATOM 0 HB ILE A 15 3.821 -4.080 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.329 -5.296 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.522 -4.405 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.919 -6.007 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.794 -4.490 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.755 -5.199 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.445 -6.838 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.403 -6.004 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.222 -6.910 1.621 1.00 0.00 H new ATOM 217 N LEU A 16 5.537 -1.716 3.508 1.00 0.00 N ATOM 218 CA LEU A 16 6.766 -0.948 3.383 1.00 0.00 C ATOM 219 C LEU A 16 7.937 -1.903 3.335 1.00 0.00 C ATOM 220 O LEU A 16 8.057 -2.781 4.197 1.00 0.00 O ATOM 221 CB LEU A 16 6.915 0.019 4.575 1.00 0.00 C ATOM 222 CG LEU A 16 8.167 0.900 4.408 1.00 0.00 C ATOM 223 CD1 LEU A 16 8.003 1.830 3.198 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.369 1.747 5.667 1.00 0.00 C ATOM 0 H LEU A 16 5.283 -1.963 4.464 1.00 0.00 H new ATOM 0 HA LEU A 16 6.737 -0.358 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.029 0.649 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.984 -0.548 5.503 1.00 0.00 H new ATOM 0 HG LEU A 16 9.032 0.255 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.895 2.448 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.864 1.233 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.134 2.470 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.255 2.370 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.497 2.382 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.499 1.092 6.529 1.00 0.00 H new ATOM 236 N VAL A 17 8.769 -1.760 2.322 1.00 0.00 N ATOM 237 CA VAL A 17 9.906 -2.638 2.152 1.00 0.00 C ATOM 238 C VAL A 17 11.177 -1.831 1.932 1.00 0.00 C ATOM 239 O VAL A 17 11.136 -0.694 1.455 1.00 0.00 O ATOM 240 CB VAL A 17 9.666 -3.605 0.979 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.401 -4.430 1.246 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.485 -2.819 -0.328 1.00 0.00 C ATOM 0 H VAL A 17 8.677 -1.042 1.604 1.00 0.00 H new ATOM 0 HA VAL A 17 10.029 -3.225 3.062 1.00 0.00 H new ATOM 0 HB VAL A 17 10.528 -4.265 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.231 -5.115 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.526 -5.000 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.545 -3.762 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.316 -3.514 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.628 -2.151 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.382 -2.233 -0.527 1.00 0.00 H new ATOM 252 N LYS A 18 12.284 -2.399 2.351 1.00 0.00 N ATOM 253 CA LYS A 18 13.565 -1.730 2.270 1.00 0.00 C ATOM 254 C LYS A 18 14.011 -1.509 0.832 1.00 0.00 C ATOM 255 O LYS A 18 14.675 -0.509 0.531 1.00 0.00 O ATOM 256 CB LYS A 18 14.626 -2.509 3.050 1.00 0.00 C ATOM 257 CG LYS A 18 14.313 -2.452 4.558 1.00 0.00 C ATOM 258 CD LYS A 18 15.358 -3.268 5.337 1.00 0.00 C ATOM 259 CE LYS A 18 14.952 -4.744 5.361 1.00 0.00 C ATOM 260 NZ LYS A 18 13.734 -4.917 6.198 1.00 0.00 N ATOM 0 H LYS A 18 12.324 -3.334 2.756 1.00 0.00 H new ATOM 0 HA LYS A 18 13.444 -0.746 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.650 -3.545 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.613 -2.089 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.317 -1.417 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.315 -2.847 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.338 -3.159 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.444 -2.888 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.761 -5.095 4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.767 -5.349 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.783 -5.828 6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.677 -4.144 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.890 -4.900 5.591 1.00 0.00 H new ATOM 274 N LYS A 19 13.788 -2.509 -0.019 1.00 0.00 N ATOM 275 CA LYS A 19 14.322 -2.476 -1.381 1.00 0.00 C ATOM 276 C LYS A 19 13.248 -2.563 -2.454 1.00 0.00 C ATOM 277 O LYS A 19 12.195 -3.195 -2.277 1.00 0.00 O ATOM 278 CB LYS A 19 15.346 -3.589 -1.588 1.00 0.00 C ATOM 279 CG LYS A 19 16.553 -3.360 -0.673 1.00 0.00 C ATOM 280 CD LYS A 19 17.621 -4.432 -0.944 1.00 0.00 C ATOM 281 CE LYS A 19 17.150 -5.786 -0.398 1.00 0.00 C ATOM 282 NZ LYS A 19 16.892 -5.670 1.059 1.00 0.00 N ATOM 0 H LYS A 19 13.247 -3.344 0.206 1.00 0.00 H new ATOM 0 HA LYS A 19 14.803 -1.504 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.893 -4.557 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.667 -3.612 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.969 -2.367 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.242 -3.399 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.810 -4.507 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.562 -4.148 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.244 -6.103 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.906 -6.548 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.364 -6.451 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.263 -4.763 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.868 -5.715 1.235 1.00 0.00 H new ATOM 296 N GLN A 20 13.562 -1.986 -3.603 1.00 0.00 N ATOM 297 CA GLN A 20 12.677 -2.004 -4.748 1.00 0.00 C ATOM 298 C GLN A 20 12.447 -3.445 -5.197 1.00 0.00 C ATOM 299 O GLN A 20 11.321 -3.835 -5.505 1.00 0.00 O ATOM 300 CB GLN A 20 13.313 -1.192 -5.892 1.00 0.00 C ATOM 301 CG GLN A 20 12.332 -1.038 -7.060 1.00 0.00 C ATOM 302 CD GLN A 20 12.970 -0.188 -8.156 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.968 0.495 -7.911 1.00 0.00 O ATOM 304 NE2 GLN A 20 12.469 -0.191 -9.347 1.00 0.00 N ATOM 0 H GLN A 20 14.440 -1.492 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 20 11.718 -1.561 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.607 -0.208 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.220 -1.689 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.065 -2.018 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.410 -0.571 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.644 -0.755 -9.552 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.898 0.370 -10.082 1.00 0.00 H new ATOM 313 N GLY A 21 13.504 -4.240 -5.191 1.00 0.00 N ATOM 314 CA GLY A 21 13.403 -5.646 -5.577 1.00 0.00 C ATOM 315 C GLY A 21 12.444 -6.374 -4.662 1.00 0.00 C ATOM 316 O GLY A 21 11.612 -7.172 -5.121 1.00 0.00 O ATOM 0 H GLY A 21 14.442 -3.941 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.061 -5.723 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.386 -6.114 -5.531 1.00 0.00 H new ATOM 320 N GLU A 22 12.493 -6.040 -3.384 1.00 0.00 N ATOM 321 CA GLU A 22 11.577 -6.624 -2.430 1.00 0.00 C ATOM 322 C GLU A 22 10.158 -6.246 -2.810 1.00 0.00 C ATOM 323 O GLU A 22 9.250 -7.086 -2.800 1.00 0.00 O ATOM 324 CB GLU A 22 11.874 -6.099 -1.028 1.00 0.00 C ATOM 325 CG GLU A 22 13.224 -6.640 -0.530 1.00 0.00 C ATOM 326 CD GLU A 22 13.587 -6.021 0.813 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.837 -5.205 1.298 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.608 -6.387 1.348 1.00 0.00 O ATOM 0 H GLU A 22 13.154 -5.372 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 22 11.694 -7.708 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.892 -5.009 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.080 -6.399 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.174 -7.725 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.002 -6.419 -1.261 1.00 0.00 H new ATOM 335 N ALA A 23 9.980 -4.990 -3.196 1.00 0.00 N ATOM 336 CA ALA A 23 8.671 -4.519 -3.610 1.00 0.00 C ATOM 337 C ALA A 23 8.166 -5.313 -4.812 1.00 0.00 C ATOM 338 O ALA A 23 7.003 -5.724 -4.857 1.00 0.00 O ATOM 339 CB ALA A 23 8.701 -3.026 -3.923 1.00 0.00 C ATOM 0 H ALA A 23 10.719 -4.287 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 23 7.980 -4.676 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.708 -2.699 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.006 -2.474 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.411 -2.837 -4.728 1.00 0.00 H new ATOM 345 N LEU A 24 9.057 -5.589 -5.756 1.00 0.00 N ATOM 346 CA LEU A 24 8.693 -6.422 -6.907 1.00 0.00 C ATOM 347 C LEU A 24 8.308 -7.821 -6.449 1.00 0.00 C ATOM 348 O LEU A 24 7.321 -8.403 -6.929 1.00 0.00 O ATOM 349 CB LEU A 24 9.858 -6.515 -7.912 1.00 0.00 C ATOM 350 CG LEU A 24 9.863 -5.315 -8.883 1.00 0.00 C ATOM 351 CD1 LEU A 24 8.886 -5.574 -10.023 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.478 -4.025 -8.162 1.00 0.00 C ATOM 0 H LEU A 24 10.022 -5.258 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 24 7.840 -5.954 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.804 -6.552 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.778 -7.443 -8.479 1.00 0.00 H new ATOM 0 HG LEU A 24 10.872 -5.200 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.892 -4.725 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.184 -6.475 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.883 -5.708 -9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.489 -3.196 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.478 -4.128 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.191 -3.829 -7.361 1.00 0.00 H new ATOM 364 N ALA A 25 9.082 -8.356 -5.509 1.00 0.00 N ATOM 365 CA ALA A 25 8.834 -9.702 -4.995 1.00 0.00 C ATOM 366 C ALA A 25 7.438 -9.809 -4.410 1.00 0.00 C ATOM 367 O ALA A 25 6.685 -10.747 -4.726 1.00 0.00 O ATOM 368 CB ALA A 25 9.874 -10.080 -3.930 1.00 0.00 C ATOM 0 H ALA A 25 9.882 -7.883 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 25 8.918 -10.396 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.669 -11.085 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.871 -10.050 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.821 -9.373 -3.102 1.00 0.00 H new ATOM 374 N VAL A 26 7.081 -8.852 -3.566 1.00 0.00 N ATOM 375 CA VAL A 26 5.771 -8.867 -2.959 1.00 0.00 C ATOM 376 C VAL A 26 4.685 -8.700 -4.008 1.00 0.00 C ATOM 377 O VAL A 26 3.690 -9.417 -3.988 1.00 0.00 O ATOM 378 CB VAL A 26 5.641 -7.831 -1.828 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.684 -8.115 -0.743 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.867 -6.432 -2.367 1.00 0.00 C ATOM 0 H VAL A 26 7.675 -8.069 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 26 5.638 -9.845 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 26 4.637 -7.902 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.588 -7.379 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.524 -9.114 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.683 -8.054 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.772 -5.710 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.866 -6.365 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.126 -6.214 -3.136 1.00 0.00 H new ATOM 390 N GLN A 27 4.910 -7.816 -4.982 1.00 0.00 N ATOM 391 CA GLN A 27 3.929 -7.669 -6.052 1.00 0.00 C ATOM 392 C GLN A 27 3.745 -8.975 -6.773 1.00 0.00 C ATOM 393 O GLN A 27 2.623 -9.391 -7.036 1.00 0.00 O ATOM 394 CB GLN A 27 4.363 -6.634 -7.083 1.00 0.00 C ATOM 395 CG GLN A 27 4.271 -5.225 -6.539 1.00 0.00 C ATOM 396 CD GLN A 27 4.707 -4.282 -7.637 1.00 0.00 C ATOM 397 OE1 GLN A 27 3.831 -3.534 -8.223 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 5.881 -4.267 -8.010 1.00 0.00 N flip ATOM 0 H GLN A 27 5.730 -7.214 -5.051 1.00 0.00 H new ATOM 0 HA GLN A 27 3.000 -7.346 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.388 -6.838 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.738 -6.722 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.251 -5.002 -6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.907 -5.111 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.571 -4.858 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.163 -3.664 -8.782 1.00 0.00 H new ATOM 407 N GLU A 28 4.854 -9.605 -7.112 1.00 0.00 N ATOM 408 CA GLU A 28 4.810 -10.842 -7.855 1.00 0.00 C ATOM 409 C GLU A 28 4.134 -11.909 -7.009 1.00 0.00 C ATOM 410 O GLU A 28 3.261 -12.635 -7.483 1.00 0.00 O ATOM 411 CB GLU A 28 6.241 -11.280 -8.225 1.00 0.00 C ATOM 412 CG GLU A 28 6.203 -12.482 -9.190 1.00 0.00 C ATOM 413 CD GLU A 28 5.688 -12.069 -10.565 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.798 -10.903 -10.899 1.00 0.00 O ATOM 415 OE2 GLU A 28 5.200 -12.921 -11.271 1.00 0.00 O ATOM 0 H GLU A 28 5.793 -9.278 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 28 4.242 -10.699 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.774 -10.450 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.791 -11.547 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.202 -12.907 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.563 -13.262 -8.778 1.00 0.00 H new ATOM 422 N ARG A 29 4.510 -11.970 -5.749 1.00 0.00 N ATOM 423 CA ARG A 29 3.936 -12.938 -4.835 1.00 0.00 C ATOM 424 C ARG A 29 2.446 -12.675 -4.594 1.00 0.00 C ATOM 425 O ARG A 29 1.652 -13.604 -4.507 1.00 0.00 O ATOM 426 CB ARG A 29 4.731 -13.022 -3.520 1.00 0.00 C ATOM 427 CG ARG A 29 4.169 -14.161 -2.654 1.00 0.00 C ATOM 428 CD ARG A 29 5.078 -14.400 -1.442 1.00 0.00 C ATOM 429 NE ARG A 29 4.652 -15.610 -0.735 1.00 0.00 N ATOM 430 CZ ARG A 29 5.332 -16.118 0.294 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.440 -15.551 0.690 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.887 -17.183 0.899 1.00 0.00 N ATOM 0 H ARG A 29 5.213 -11.359 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 29 4.011 -13.916 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.786 -13.197 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.666 -12.076 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.162 -13.911 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.091 -15.073 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.113 -14.503 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.038 -13.542 -0.771 1.00 0.00 H new ATOM 0 HE ARG A 29 3.802 -16.083 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.786 -14.719 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.959 -15.940 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.023 -17.624 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.403 -17.575 1.686 1.00 0.00 H new ATOM 446 N LEU A 30 2.071 -11.405 -4.485 1.00 0.00 N ATOM 447 CA LEU A 30 0.680 -11.041 -4.208 1.00 0.00 C ATOM 448 C LEU A 30 -0.226 -11.636 -5.260 1.00 0.00 C ATOM 449 O LEU A 30 -1.406 -11.899 -5.003 1.00 0.00 O ATOM 450 CB LEU A 30 0.497 -9.508 -4.192 1.00 0.00 C ATOM 451 CG LEU A 30 0.174 -8.986 -2.773 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.842 -9.894 -2.058 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.454 -8.888 -1.945 1.00 0.00 C ATOM 0 H LEU A 30 2.705 -10.612 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 30 0.420 -11.434 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.405 -9.029 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.307 -9.230 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.269 -7.995 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.047 -9.498 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.768 -9.928 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.432 -10.900 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.215 -8.519 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.913 -9.873 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.149 -8.201 -2.429 1.00 0.00 H new ATOM 465 N LYS A 31 0.308 -11.813 -6.448 1.00 0.00 N ATOM 466 CA LYS A 31 -0.473 -12.342 -7.542 1.00 0.00 C ATOM 467 C LYS A 31 -0.919 -13.760 -7.182 1.00 0.00 C ATOM 468 O LYS A 31 -1.998 -14.212 -7.588 1.00 0.00 O ATOM 469 CB LYS A 31 0.354 -12.386 -8.828 1.00 0.00 C ATOM 470 CG LYS A 31 1.062 -11.038 -9.079 1.00 0.00 C ATOM 471 CD LYS A 31 0.068 -9.869 -9.144 1.00 0.00 C ATOM 472 CE LYS A 31 0.829 -8.596 -9.553 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.119 -7.495 -9.853 1.00 0.00 N ATOM 0 H LYS A 31 1.278 -11.599 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.336 -11.697 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.095 -13.183 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.293 -12.623 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.785 -10.855 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.621 -11.091 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.722 -10.084 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.412 -9.727 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.503 -8.295 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.446 -8.800 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.370 -6.753 -10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.913 -7.864 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.480 -7.095 -8.963 1.00 0.00 H new ATOM 487 N ALA A 32 -0.090 -14.440 -6.381 1.00 0.00 N ATOM 488 CA ALA A 32 -0.381 -15.789 -5.908 1.00 0.00 C ATOM 489 C ALA A 32 -1.696 -15.816 -5.154 1.00 0.00 C ATOM 490 O ALA A 32 -2.322 -16.868 -5.027 1.00 0.00 O ATOM 491 CB ALA A 32 0.743 -16.307 -5.007 1.00 0.00 C ATOM 0 H ALA A 32 0.798 -14.067 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.457 -16.439 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.502 -17.314 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.678 -16.327 -5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.850 -15.649 -4.144 1.00 0.00 H new ATOM 497 N GLY A 33 -2.112 -14.660 -4.655 1.00 0.00 N ATOM 498 CA GLY A 33 -3.365 -14.552 -3.929 1.00 0.00 C ATOM 499 C GLY A 33 -3.175 -14.718 -2.433 1.00 0.00 C ATOM 500 O GLY A 33 -4.154 -14.846 -1.689 1.00 0.00 O ATOM 0 H GLY A 33 -1.597 -13.784 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.818 -13.581 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.060 -15.309 -4.292 1.00 0.00 H new ATOM 504 N GLU A 34 -1.929 -14.658 -1.966 1.00 0.00 N ATOM 505 CA GLU A 34 -1.689 -14.734 -0.531 1.00 0.00 C ATOM 506 C GLU A 34 -2.275 -13.493 0.119 1.00 0.00 C ATOM 507 O GLU A 34 -2.452 -12.465 -0.544 1.00 0.00 O ATOM 508 CB GLU A 34 -0.194 -14.835 -0.196 1.00 0.00 C ATOM 509 CG GLU A 34 0.416 -16.085 -0.850 1.00 0.00 C ATOM 510 CD GLU A 34 1.872 -16.244 -0.440 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.266 -15.631 0.529 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.575 -16.999 -1.081 1.00 0.00 O ATOM 0 H GLU A 34 -1.094 -14.560 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.165 -15.638 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.325 -13.943 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.059 -14.879 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.149 -16.969 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.344 -16.007 -1.935 1.00 0.00 H new ATOM 519 N LYS A 35 -2.627 -13.590 1.383 1.00 0.00 N ATOM 520 CA LYS A 35 -3.236 -12.459 2.057 1.00 0.00 C ATOM 521 C LYS A 35 -2.261 -11.285 2.029 1.00 0.00 C ATOM 522 O LYS A 35 -1.117 -11.406 2.484 1.00 0.00 O ATOM 523 CB LYS A 35 -3.547 -12.824 3.514 1.00 0.00 C ATOM 524 CG LYS A 35 -4.749 -12.023 4.023 1.00 0.00 C ATOM 525 CD LYS A 35 -5.105 -12.490 5.440 1.00 0.00 C ATOM 526 CE LYS A 35 -6.299 -11.681 5.972 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.573 -12.286 5.494 1.00 0.00 N ATOM 0 H LYS A 35 -2.506 -14.424 1.958 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.163 -12.190 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.755 -13.891 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.677 -12.622 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.516 -10.958 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.601 -12.161 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.349 -13.552 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.247 -12.365 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.281 -11.663 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.228 -10.647 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.377 -11.735 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.591 -12.281 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.642 -13.265 5.837 1.00 0.00 H new ATOM 541 N PHE A 36 -2.729 -10.149 1.547 1.00 0.00 N ATOM 542 CA PHE A 36 -1.899 -8.952 1.489 1.00 0.00 C ATOM 543 C PHE A 36 -1.452 -8.619 2.896 1.00 0.00 C ATOM 544 O PHE A 36 -0.276 -8.352 3.151 1.00 0.00 O ATOM 545 CB PHE A 36 -2.706 -7.780 0.901 1.00 0.00 C ATOM 546 CG PHE A 36 -1.808 -6.576 0.676 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.028 -6.499 -0.484 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.756 -5.545 1.619 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.202 -5.392 -0.703 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.930 -4.439 1.400 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.151 -4.362 0.239 1.00 0.00 C ATOM 0 H PHE A 36 -3.676 -10.026 1.190 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.032 -9.126 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.163 -8.082 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.518 -7.514 1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.064 -7.296 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.354 -5.603 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.396 -5.334 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.892 -3.642 2.128 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.488 -3.508 0.072 1.00 0.00 H new ATOM 561 N GLY A 37 -2.395 -8.684 3.816 1.00 0.00 N ATOM 562 CA GLY A 37 -2.122 -8.401 5.207 1.00 0.00 C ATOM 563 C GLY A 37 -1.093 -9.357 5.776 1.00 0.00 C ATOM 564 O GLY A 37 -0.183 -8.945 6.516 1.00 0.00 O ATOM 0 H GLY A 37 -3.365 -8.933 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.763 -7.377 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.045 -8.473 5.782 1.00 0.00 H new ATOM 568 N LYS A 38 -1.164 -10.613 5.363 1.00 0.00 N ATOM 569 CA LYS A 38 -0.168 -11.577 5.787 1.00 0.00 C ATOM 570 C LYS A 38 1.186 -11.108 5.318 1.00 0.00 C ATOM 571 O LYS A 38 2.119 -11.001 6.107 1.00 0.00 O ATOM 572 CB LYS A 38 -0.460 -12.961 5.197 1.00 0.00 C ATOM 573 CG LYS A 38 0.570 -13.978 5.712 1.00 0.00 C ATOM 574 CD LYS A 38 0.289 -15.343 5.080 1.00 0.00 C ATOM 575 CE LYS A 38 1.287 -16.375 5.605 1.00 0.00 C ATOM 576 NZ LYS A 38 2.672 -15.906 5.344 1.00 0.00 N ATOM 0 H LYS A 38 -1.888 -10.981 4.746 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.190 -11.657 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.466 -13.278 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.427 -12.916 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.579 -13.649 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.517 -14.049 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.729 -15.658 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.362 -15.273 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.139 -16.528 6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.120 -17.337 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.264 -16.713 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.661 -15.200 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.062 -15.477 6.207 1.00 0.00 H new ATOM 590 N LEU A 39 1.255 -10.700 4.060 1.00 0.00 N ATOM 591 CA LEU A 39 2.496 -10.202 3.510 1.00 0.00 C ATOM 592 C LEU A 39 2.946 -8.982 4.277 1.00 0.00 C ATOM 593 O LEU A 39 4.141 -8.790 4.511 1.00 0.00 O ATOM 594 CB LEU A 39 2.382 -9.872 2.012 1.00 0.00 C ATOM 595 CG LEU A 39 2.192 -11.150 1.147 1.00 0.00 C ATOM 596 CD1 LEU A 39 3.024 -11.030 -0.130 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.609 -12.427 1.892 1.00 0.00 C ATOM 0 H LEU A 39 0.470 -10.705 3.409 1.00 0.00 H new ATOM 0 HA LEU A 39 3.237 -10.995 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.541 -9.198 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.279 -9.345 1.688 1.00 0.00 H new ATOM 0 HG LEU A 39 1.130 -11.228 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.891 -11.926 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.698 -10.157 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.077 -10.921 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.457 -13.291 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.661 -12.360 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.005 -12.537 2.792 1.00 0.00 H new ATOM 609 N ALA A 40 2.000 -8.162 4.686 1.00 0.00 N ATOM 610 CA ALA A 40 2.348 -7.000 5.464 1.00 0.00 C ATOM 611 C ALA A 40 3.127 -7.430 6.699 1.00 0.00 C ATOM 612 O ALA A 40 4.275 -7.036 6.886 1.00 0.00 O ATOM 613 CB ALA A 40 1.098 -6.213 5.864 1.00 0.00 C ATOM 0 H ALA A 40 1.005 -8.277 4.496 1.00 0.00 H new ATOM 0 HA ALA A 40 2.972 -6.344 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.389 -5.341 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.570 -5.888 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.443 -6.849 6.460 1.00 0.00 H new ATOM 619 N LYS A 41 2.584 -8.385 7.425 1.00 0.00 N ATOM 620 CA LYS A 41 3.314 -8.982 8.547 1.00 0.00 C ATOM 621 C LYS A 41 4.592 -9.696 8.109 1.00 0.00 C ATOM 622 O LYS A 41 5.582 -9.708 8.854 1.00 0.00 O ATOM 623 CB LYS A 41 2.432 -9.899 9.411 1.00 0.00 C ATOM 624 CG LYS A 41 1.474 -9.056 10.273 1.00 0.00 C ATOM 625 CD LYS A 41 0.607 -9.995 11.127 1.00 0.00 C ATOM 626 CE LYS A 41 -0.164 -9.194 12.188 1.00 0.00 C ATOM 627 NZ LYS A 41 -0.789 -7.992 11.584 1.00 0.00 N ATOM 0 H LYS A 41 1.651 -8.768 7.269 1.00 0.00 H new ATOM 0 HA LYS A 41 3.615 -8.143 9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.861 -10.573 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.058 -10.520 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.041 -8.381 10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.842 -8.436 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.093 -10.534 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.236 -10.741 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.932 -9.822 12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.513 -8.895 12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.514 -7.617 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.061 -7.267 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.231 -8.249 10.678 1.00 0.00 H new ATOM 641 N GLU A 42 4.547 -10.363 6.965 1.00 0.00 N ATOM 642 CA GLU A 42 5.688 -11.161 6.511 1.00 0.00 C ATOM 643 C GLU A 42 6.865 -10.271 6.100 1.00 0.00 C ATOM 644 O GLU A 42 8.023 -10.574 6.414 1.00 0.00 O ATOM 645 CB GLU A 42 5.285 -12.004 5.283 1.00 0.00 C ATOM 646 CG GLU A 42 4.235 -13.078 5.632 1.00 0.00 C ATOM 647 CD GLU A 42 4.788 -14.146 6.549 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.987 -14.278 6.628 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.996 -14.843 7.136 1.00 0.00 O ATOM 0 H GLU A 42 3.744 -10.371 6.336 1.00 0.00 H new ATOM 0 HA GLU A 42 5.988 -11.800 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.887 -11.348 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.171 -12.486 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.377 -12.603 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.874 -13.542 4.714 1.00 0.00 H new ATOM 656 N LEU A 43 6.585 -9.238 5.320 1.00 0.00 N ATOM 657 CA LEU A 43 7.650 -8.414 4.740 1.00 0.00 C ATOM 658 C LEU A 43 7.657 -6.993 5.258 1.00 0.00 C ATOM 659 O LEU A 43 8.720 -6.381 5.373 1.00 0.00 O ATOM 660 CB LEU A 43 7.508 -8.362 3.218 1.00 0.00 C ATOM 661 CG LEU A 43 7.407 -9.780 2.639 1.00 0.00 C ATOM 662 CD1 LEU A 43 5.981 -10.024 2.141 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.380 -9.914 1.469 1.00 0.00 C ATOM 0 H LEU A 43 5.639 -8.947 5.072 1.00 0.00 H new ATOM 0 HA LEU A 43 8.586 -8.887 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.621 -7.789 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.364 -7.846 2.784 1.00 0.00 H new ATOM 0 HG LEU A 43 7.654 -10.510 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.907 -11.030 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.283 -9.919 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.736 -9.296 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.313 -10.919 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.126 -9.185 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.396 -9.733 1.819 1.00 0.00 H new ATOM 675 N SER A 44 6.487 -6.414 5.392 1.00 0.00 N ATOM 676 CA SER A 44 6.394 -4.987 5.650 1.00 0.00 C ATOM 677 C SER A 44 7.197 -4.590 6.877 1.00 0.00 C ATOM 678 O SER A 44 7.207 -5.306 7.882 1.00 0.00 O ATOM 679 CB SER A 44 4.925 -4.569 5.788 1.00 0.00 C ATOM 680 OG SER A 44 4.481 -4.755 7.117 1.00 0.00 O ATOM 0 H SER A 44 5.592 -6.899 5.328 1.00 0.00 H new ATOM 0 HA SER A 44 6.825 -4.458 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.810 -3.523 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.308 -5.155 5.107 1.00 0.00 H new ATOM 0 HG SER A 44 4.587 -5.696 7.369 1.00 0.00 H new ATOM 686 N ILE A 45 7.899 -3.469 6.780 1.00 0.00 N ATOM 687 CA ILE A 45 8.697 -2.984 7.889 1.00 0.00 C ATOM 688 C ILE A 45 7.930 -1.918 8.660 1.00 0.00 C ATOM 689 O ILE A 45 8.346 -1.500 9.746 1.00 0.00 O ATOM 690 CB ILE A 45 10.062 -2.456 7.402 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.879 -1.285 6.433 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.824 -3.571 6.688 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.252 -0.691 6.094 1.00 0.00 C ATOM 0 H ILE A 45 7.930 -2.883 5.946 1.00 0.00 H new ATOM 0 HA ILE A 45 8.896 -3.816 8.564 1.00 0.00 H new ATOM 0 HB ILE A 45 10.623 -2.115 8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.382 -1.624 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.241 -0.523 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.787 -3.192 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.984 -4.401 7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.245 -3.916 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.127 0.143 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.731 -0.338 7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.875 -1.456 5.630 1.00 0.00 H new ATOM 705 N ASP A 46 6.760 -1.558 8.140 1.00 0.00 N ATOM 706 CA ASP A 46 5.872 -0.615 8.812 1.00 0.00 C ATOM 707 C ASP A 46 5.027 -1.360 9.822 1.00 0.00 C ATOM 708 O ASP A 46 3.960 -1.894 9.492 1.00 0.00 O ATOM 709 CB ASP A 46 4.961 0.091 7.786 1.00 0.00 C ATOM 710 CG ASP A 46 4.048 1.117 8.462 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.881 1.062 9.661 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.502 1.939 7.755 1.00 0.00 O ATOM 0 H ASP A 46 6.404 -1.907 7.250 1.00 0.00 H new ATOM 0 HA ASP A 46 6.471 0.141 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.574 0.587 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.355 -0.650 7.265 1.00 0.00 H new ATOM 717 N GLY A 47 5.505 -1.400 11.050 1.00 0.00 N ATOM 718 CA GLY A 47 4.808 -2.107 12.102 1.00 0.00 C ATOM 719 C GLY A 47 3.435 -1.513 12.326 1.00 0.00 C ATOM 720 O GLY A 47 2.440 -2.233 12.362 1.00 0.00 O ATOM 0 H GLY A 47 6.373 -0.951 11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.715 -3.161 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.386 -2.058 13.025 1.00 0.00 H new ATOM 724 N GLY A 48 3.370 -0.193 12.386 1.00 0.00 N ATOM 725 CA GLY A 48 2.107 0.490 12.610 1.00 0.00 C ATOM 726 C GLY A 48 1.085 0.052 11.595 1.00 0.00 C ATOM 727 O GLY A 48 -0.042 -0.304 11.951 1.00 0.00 O ATOM 0 H GLY A 48 4.175 0.425 12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.744 0.277 13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.253 1.568 12.546 1.00 0.00 H new ATOM 731 N SER A 49 1.496 -0.013 10.346 1.00 0.00 N ATOM 732 CA SER A 49 0.627 -0.519 9.308 1.00 0.00 C ATOM 733 C SER A 49 0.429 -2.033 9.460 1.00 0.00 C ATOM 734 O SER A 49 -0.665 -2.555 9.224 1.00 0.00 O ATOM 735 CB SER A 49 1.203 -0.191 7.938 1.00 0.00 C ATOM 736 OG SER A 49 1.188 1.226 7.758 1.00 0.00 O ATOM 0 H SER A 49 2.421 0.277 10.027 1.00 0.00 H new ATOM 0 HA SER A 49 -0.346 -0.037 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.221 -0.571 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.618 -0.677 7.157 1.00 0.00 H new ATOM 0 HG SER A 49 1.879 1.634 8.320 1.00 0.00 H new ATOM 742 N ALA A 50 1.467 -2.722 9.921 1.00 0.00 N ATOM 743 CA ALA A 50 1.405 -4.166 10.115 1.00 0.00 C ATOM 744 C ALA A 50 0.378 -4.526 11.171 1.00 0.00 C ATOM 745 O ALA A 50 -0.209 -5.618 11.138 1.00 0.00 O ATOM 746 CB ALA A 50 2.775 -4.725 10.483 1.00 0.00 C ATOM 0 H ALA A 50 2.363 -2.303 10.168 1.00 0.00 H new ATOM 0 HA ALA A 50 1.096 -4.618 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.702 -5.804 10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.483 -4.509 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.120 -4.262 11.407 1.00 0.00 H new ATOM 752 N LYS A 51 0.118 -3.582 12.067 1.00 0.00 N ATOM 753 CA LYS A 51 -0.893 -3.763 13.102 1.00 0.00 C ATOM 754 C LYS A 51 -2.244 -3.920 12.441 1.00 0.00 C ATOM 755 O LYS A 51 -3.047 -4.769 12.824 1.00 0.00 O ATOM 756 CB LYS A 51 -0.921 -2.560 14.054 1.00 0.00 C ATOM 757 CG LYS A 51 0.427 -2.416 14.776 1.00 0.00 C ATOM 758 CD LYS A 51 0.716 -3.657 15.638 1.00 0.00 C ATOM 759 CE LYS A 51 2.090 -3.506 16.304 1.00 0.00 C ATOM 760 NZ LYS A 51 2.209 -2.158 16.904 1.00 0.00 N ATOM 0 H LYS A 51 0.595 -2.681 12.098 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.652 -4.652 13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.140 -1.651 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.720 -2.685 14.784 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.224 -2.281 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.416 -1.525 15.404 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.057 -3.774 16.397 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.696 -4.555 15.021 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.218 -4.269 17.072 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.880 -3.658 15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.960 -2.163 17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.444 -1.468 16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.306 -1.895 17.348 1.00 0.00 H new ATOM 774 N ARG A 52 -2.436 -3.177 11.368 1.00 0.00 N ATOM 775 CA ARG A 52 -3.629 -3.296 10.554 1.00 0.00 C ATOM 776 C ARG A 52 -3.338 -4.202 9.374 1.00 0.00 C ATOM 777 O ARG A 52 -4.061 -4.206 8.382 1.00 0.00 O ATOM 778 CB ARG A 52 -4.090 -1.916 10.066 1.00 0.00 C ATOM 779 CG ARG A 52 -4.628 -1.105 11.254 1.00 0.00 C ATOM 780 CD ARG A 52 -6.095 -0.733 11.005 1.00 0.00 C ATOM 781 NE ARG A 52 -6.231 0.182 9.865 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.213 1.514 10.030 1.00 0.00 C ATOM 783 NH1 ARG A 52 -5.945 2.020 11.204 1.00 0.00 N ATOM 784 NH2 ARG A 52 -6.447 2.307 9.026 1.00 0.00 N ATOM 0 H ARG A 52 -1.772 -2.477 11.037 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.431 -3.726 11.154 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.259 -1.388 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.865 -2.027 9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.541 -1.686 12.172 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.032 -0.202 11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.674 -1.637 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.510 -0.267 11.899 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.342 -0.203 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.750 1.403 11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.931 3.032 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.646 1.918 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.431 3.318 9.160 1.00 0.00 H new ATOM 798 N ASP A 53 -2.236 -4.936 9.477 1.00 0.00 N ATOM 799 CA ASP A 53 -1.785 -5.837 8.423 1.00 0.00 C ATOM 800 C ASP A 53 -1.556 -5.055 7.145 1.00 0.00 C ATOM 801 O ASP A 53 -1.750 -5.558 6.060 1.00 0.00 O ATOM 802 CB ASP A 53 -2.834 -6.922 8.153 1.00 0.00 C ATOM 803 CG ASP A 53 -3.172 -7.668 9.414 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.379 -8.478 9.836 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.233 -7.432 9.946 1.00 0.00 O ATOM 0 H ASP A 53 -1.628 -4.923 10.296 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.857 -6.306 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.735 -6.468 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.458 -7.618 7.404 1.00 0.00 H new ATOM 810 N GLY A 54 -1.201 -3.806 7.284 1.00 0.00 N ATOM 811 CA GLY A 54 -1.016 -2.947 6.132 1.00 0.00 C ATOM 812 C GLY A 54 -2.354 -2.485 5.592 1.00 0.00 C ATOM 813 O GLY A 54 -2.407 -1.642 4.698 1.00 0.00 O ATOM 0 H GLY A 54 -1.032 -3.354 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.411 -2.083 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.470 -3.483 5.356 1.00 0.00 H new ATOM 817 N SER A 55 -3.438 -3.005 6.165 1.00 0.00 N ATOM 818 CA SER A 55 -4.773 -2.618 5.746 1.00 0.00 C ATOM 819 C SER A 55 -5.097 -1.222 6.251 1.00 0.00 C ATOM 820 O SER A 55 -5.722 -1.044 7.306 1.00 0.00 O ATOM 821 CB SER A 55 -5.810 -3.628 6.255 1.00 0.00 C ATOM 822 OG SER A 55 -5.192 -4.902 6.410 1.00 0.00 O ATOM 0 H SER A 55 -3.413 -3.693 6.918 1.00 0.00 H new ATOM 0 HA SER A 55 -4.808 -2.611 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.223 -3.294 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.641 -3.698 5.553 1.00 0.00 H new ATOM 0 HG SER A 55 -5.008 -5.063 7.359 1.00 0.00 H new ATOM 828 N LEU A 56 -4.664 -0.234 5.504 1.00 0.00 N ATOM 829 CA LEU A 56 -4.914 1.142 5.857 1.00 0.00 C ATOM 830 C LEU A 56 -6.405 1.394 5.846 1.00 0.00 C ATOM 831 O LEU A 56 -6.930 2.087 6.714 1.00 0.00 O ATOM 832 CB LEU A 56 -4.199 2.088 4.888 1.00 0.00 C ATOM 833 CG LEU A 56 -2.676 1.950 5.056 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.968 2.787 3.995 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.256 2.433 6.449 1.00 0.00 C ATOM 0 H LEU A 56 -4.133 -0.360 4.642 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.523 1.334 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.484 1.856 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.504 3.117 5.078 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.399 0.902 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.889 2.689 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.257 2.438 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.252 3.833 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.176 2.332 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.537 3.479 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.756 1.832 7.209 1.00 0.00 H new ATOM 847 N GLY A 57 -7.083 0.817 4.871 1.00 0.00 N ATOM 848 CA GLY A 57 -8.525 0.965 4.763 1.00 0.00 C ATOM 849 C GLY A 57 -8.855 2.202 3.975 1.00 0.00 C ATOM 850 O GLY A 57 -8.129 2.552 3.041 1.00 0.00 O ATOM 0 H GLY A 57 -6.660 0.242 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.954 0.089 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.968 1.027 5.757 1.00 0.00 H new ATOM 854 N TYR A 58 -9.913 2.891 4.374 1.00 0.00 N ATOM 855 CA TYR A 58 -10.313 4.123 3.715 1.00 0.00 C ATOM 856 C TYR A 58 -9.501 5.250 4.302 1.00 0.00 C ATOM 857 O TYR A 58 -9.481 5.425 5.521 1.00 0.00 O ATOM 858 CB TYR A 58 -11.784 4.456 4.036 1.00 0.00 C ATOM 859 CG TYR A 58 -12.735 3.348 3.636 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.774 2.155 4.370 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.585 3.516 2.540 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.658 1.139 4.008 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.473 2.497 2.183 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.504 1.307 2.915 1.00 0.00 C ATOM 865 OH TYR A 58 -15.371 0.298 2.554 1.00 0.00 O ATOM 0 H TYR A 58 -10.511 2.616 5.153 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.170 4.005 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.884 4.647 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.065 5.374 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.118 2.022 5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.556 4.432 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.686 0.221 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -15.136 2.630 1.341 1.00 0.00 H new ATOM 0 HH TYR A 58 -16.171 0.686 2.141 1.00 0.00 H new ATOM 875 N PHE A 59 -8.951 6.083 3.464 1.00 0.00 N ATOM 876 CA PHE A 59 -8.269 7.277 3.940 1.00 0.00 C ATOM 877 C PHE A 59 -8.478 8.411 2.967 1.00 0.00 C ATOM 878 O PHE A 59 -8.646 8.180 1.773 1.00 0.00 O ATOM 879 CB PHE A 59 -6.767 7.017 4.135 1.00 0.00 C ATOM 880 CG PHE A 59 -6.143 6.596 2.822 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.714 7.565 1.911 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.987 5.242 2.522 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.135 7.182 0.699 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.411 4.856 1.310 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.982 5.828 0.398 1.00 0.00 C ATOM 0 H PHE A 59 -8.955 5.968 2.451 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.692 7.549 4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.279 7.917 4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.618 6.240 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.830 8.613 2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.312 4.492 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.806 7.933 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.296 3.808 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.533 5.530 -0.538 1.00 0.00 H new ATOM 895 N GLY A 60 -8.445 9.630 3.463 1.00 0.00 N ATOM 896 CA GLY A 60 -8.588 10.788 2.600 1.00 0.00 C ATOM 897 C GLY A 60 -7.215 11.293 2.187 1.00 0.00 C ATOM 898 O GLY A 60 -6.202 10.897 2.773 1.00 0.00 O ATOM 0 H GLY A 60 -8.321 9.846 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.170 10.525 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.134 11.575 3.119 1.00 0.00 H new ATOM 902 N ARG A 61 -7.170 12.147 1.179 1.00 0.00 N ATOM 903 CA ARG A 61 -5.898 12.660 0.699 1.00 0.00 C ATOM 904 C ARG A 61 -5.374 13.735 1.630 1.00 0.00 C ATOM 905 O ARG A 61 -6.154 14.380 2.341 1.00 0.00 O ATOM 906 CB ARG A 61 -6.019 13.238 -0.710 1.00 0.00 C ATOM 907 CG ARG A 61 -6.510 12.162 -1.683 1.00 0.00 C ATOM 908 CD ARG A 61 -6.347 12.682 -3.109 1.00 0.00 C ATOM 909 NE ARG A 61 -4.920 12.765 -3.421 1.00 0.00 N ATOM 910 CZ ARG A 61 -4.454 13.018 -4.638 1.00 0.00 C ATOM 911 NH1 ARG A 61 -5.278 13.179 -5.639 1.00 0.00 N ATOM 912 NH2 ARG A 61 -3.172 13.086 -4.818 1.00 0.00 N ATOM 0 H ARG A 61 -7.989 12.497 0.682 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.203 11.821 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.712 14.080 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.053 13.621 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.940 11.242 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.555 11.922 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.849 12.018 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.813 13.662 -3.209 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.250 12.621 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.284 13.110 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.915 13.373 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.538 12.946 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.797 13.280 -5.747 1.00 0.00 H new ATOM 926 N GLY A 62 -4.072 13.968 1.591 1.00 0.00 N ATOM 927 CA GLY A 62 -3.467 15.039 2.381 1.00 0.00 C ATOM 928 C GLY A 62 -2.288 14.539 3.188 1.00 0.00 C ATOM 929 O GLY A 62 -1.138 14.755 2.815 1.00 0.00 O ATOM 0 H GLY A 62 -3.412 13.435 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.141 15.841 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.214 15.463 3.052 1.00 0.00 H new ATOM 933 N LYS A 63 -2.573 13.852 4.281 1.00 0.00 N ATOM 934 CA LYS A 63 -1.525 13.315 5.141 1.00 0.00 C ATOM 935 C LYS A 63 -0.676 12.329 4.356 1.00 0.00 C ATOM 936 O LYS A 63 0.544 12.237 4.543 1.00 0.00 O ATOM 937 CB LYS A 63 -2.142 12.601 6.347 1.00 0.00 C ATOM 938 CG LYS A 63 -1.035 12.167 7.314 1.00 0.00 C ATOM 939 CD LYS A 63 -1.646 11.410 8.497 1.00 0.00 C ATOM 940 CE LYS A 63 -0.546 11.067 9.507 1.00 0.00 C ATOM 941 NZ LYS A 63 0.563 10.352 8.818 1.00 0.00 N ATOM 0 H LYS A 63 -3.522 13.651 4.597 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.904 14.139 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.842 13.264 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.710 11.732 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.316 11.532 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.489 13.040 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.415 12.018 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.131 10.498 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.170 11.978 9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.952 10.445 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.149 9.859 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.168 9.660 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.149 11.037 8.300 1.00 0.00 H new ATOM 955 N MET A 64 -1.340 11.572 3.511 1.00 0.00 N ATOM 956 CA MET A 64 -0.700 10.526 2.730 1.00 0.00 C ATOM 957 C MET A 64 0.309 11.154 1.786 1.00 0.00 C ATOM 958 O MET A 64 0.090 12.258 1.275 1.00 0.00 O ATOM 959 CB MET A 64 -1.770 9.818 1.896 1.00 0.00 C ATOM 960 CG MET A 64 -2.902 9.311 2.809 1.00 0.00 C ATOM 961 SD MET A 64 -2.312 7.940 3.832 1.00 0.00 S ATOM 962 CE MET A 64 -2.542 6.639 2.591 1.00 0.00 C ATOM 0 H MET A 64 -2.342 11.661 3.343 1.00 0.00 H new ATOM 0 HA MET A 64 -0.200 9.820 3.393 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.173 10.503 1.150 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.327 8.982 1.355 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.257 10.122 3.445 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.749 8.985 2.205 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.410 6.035 2.854 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.699 7.093 1.613 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.655 6.006 2.559 1.00 0.00 H new ATOM 972 N VAL A 65 1.405 10.458 1.535 1.00 0.00 N ATOM 973 CA VAL A 65 2.403 10.978 0.622 1.00 0.00 C ATOM 974 C VAL A 65 1.893 10.867 -0.815 1.00 0.00 C ATOM 975 O VAL A 65 1.303 9.849 -1.196 1.00 0.00 O ATOM 976 CB VAL A 65 3.771 10.280 0.814 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.190 10.357 2.286 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.685 8.813 0.405 1.00 0.00 C ATOM 0 H VAL A 65 1.622 9.549 1.943 1.00 0.00 H new ATOM 0 HA VAL A 65 2.568 12.032 0.844 1.00 0.00 H new ATOM 0 HB VAL A 65 4.505 10.787 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.154 9.864 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.273 11.401 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.442 9.860 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.656 8.338 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.940 8.307 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.397 8.744 -0.644 1.00 0.00 H new ATOM 988 N LYS A 66 1.989 11.959 -1.557 1.00 0.00 N ATOM 989 CA LYS A 66 1.431 12.019 -2.903 1.00 0.00 C ATOM 990 C LYS A 66 1.760 10.764 -3.721 1.00 0.00 C ATOM 991 O LYS A 66 0.884 10.229 -4.408 1.00 0.00 O ATOM 992 CB LYS A 66 1.882 13.291 -3.635 1.00 0.00 C ATOM 993 CG LYS A 66 1.589 14.530 -2.768 1.00 0.00 C ATOM 994 CD LYS A 66 0.072 14.816 -2.728 1.00 0.00 C ATOM 995 CE LYS A 66 -0.397 14.941 -1.269 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.368 13.603 -0.614 1.00 0.00 N ATOM 0 H LYS A 66 2.448 12.817 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 66 0.347 12.057 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.948 13.235 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.363 13.374 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.962 14.369 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.118 15.395 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.148 15.736 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.472 14.014 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.247 15.635 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.406 15.351 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.284 13.420 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.185 12.870 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.386 13.583 0.102 1.00 0.00 H new ATOM 1010 N PRO A 67 2.967 10.242 -3.614 1.00 0.00 N ATOM 1011 CA PRO A 67 3.312 8.996 -4.335 1.00 0.00 C ATOM 1012 C PRO A 67 2.340 7.880 -3.965 1.00 0.00 C ATOM 1013 O PRO A 67 1.872 7.117 -4.822 1.00 0.00 O ATOM 1014 CB PRO A 67 4.711 8.649 -3.797 1.00 0.00 C ATOM 1015 CG PRO A 67 5.279 9.918 -3.224 1.00 0.00 C ATOM 1016 CD PRO A 67 4.180 10.990 -3.255 1.00 0.00 C ATOM 0 HA PRO A 67 3.273 9.112 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.651 7.873 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.348 8.265 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.622 9.754 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.144 10.243 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.074 11.482 -2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.401 11.768 -3.986 1.00 0.00 H new ATOM 1024 N PHE A 68 2.024 7.817 -2.683 1.00 0.00 N ATOM 1025 CA PHE A 68 1.092 6.838 -2.152 1.00 0.00 C ATOM 1026 C PHE A 68 -0.273 7.057 -2.759 1.00 0.00 C ATOM 1027 O PHE A 68 -0.929 6.122 -3.214 1.00 0.00 O ATOM 1028 CB PHE A 68 1.001 6.979 -0.631 1.00 0.00 C ATOM 1029 CG PHE A 68 0.299 5.788 -0.043 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -1.096 5.681 -0.113 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.046 4.784 0.570 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.734 4.560 0.431 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.412 3.673 1.108 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.979 3.559 1.042 1.00 0.00 C ATOM 0 H PHE A 68 2.408 8.446 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 68 1.445 5.837 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.001 7.068 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.463 7.891 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.677 6.460 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.121 4.871 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.809 4.470 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.995 2.895 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.470 2.695 1.465 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.690 8.314 -2.763 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.997 8.675 -3.285 1.00 0.00 C ATOM 1046 C GLU A 69 -2.071 8.323 -4.760 1.00 0.00 C ATOM 1047 O GLU A 69 -3.040 7.703 -5.217 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.236 10.180 -3.103 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.379 10.525 -1.605 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.513 12.034 -1.418 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -2.550 12.736 -2.403 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.549 12.478 -0.284 1.00 0.00 O ATOM 0 H GLU A 69 -0.142 9.099 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.763 8.123 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.407 10.741 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.137 10.479 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.253 10.022 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.511 10.160 -1.056 1.00 0.00 H new ATOM 1059 N ASP A 70 -1.005 8.629 -5.483 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.939 8.306 -6.899 1.00 0.00 C ATOM 1061 C ASP A 70 -1.137 6.825 -7.121 1.00 0.00 C ATOM 1062 O ASP A 70 -1.997 6.412 -7.905 1.00 0.00 O ATOM 1063 CB ASP A 70 0.422 8.708 -7.475 1.00 0.00 C ATOM 1064 CG ASP A 70 0.603 8.078 -8.841 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.072 8.487 -9.756 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.409 7.178 -8.947 1.00 0.00 O ATOM 0 H ASP A 70 -0.178 9.098 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.733 8.859 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.489 9.793 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.220 8.386 -6.806 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.372 6.026 -6.403 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.476 4.585 -6.526 1.00 0.00 C ATOM 1073 C ALA A 71 -1.850 4.119 -6.092 1.00 0.00 C ATOM 1074 O ALA A 71 -2.453 3.256 -6.732 1.00 0.00 O ATOM 1075 CB ALA A 71 0.602 3.895 -5.690 1.00 0.00 C ATOM 0 H ALA A 71 0.325 6.348 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.327 4.318 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.508 2.814 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.587 4.209 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.481 4.169 -4.642 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.357 4.719 -5.028 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.664 4.365 -4.517 1.00 0.00 C ATOM 1083 C ALA A 72 -4.725 4.579 -5.579 1.00 0.00 C ATOM 1084 O ALA A 72 -5.557 3.704 -5.825 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.990 5.194 -3.273 1.00 0.00 C ATOM 0 H ALA A 72 -1.881 5.453 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.653 3.310 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.976 4.917 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.243 5.003 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.984 6.253 -3.530 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.687 5.738 -6.223 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.653 6.043 -7.270 1.00 0.00 C ATOM 1093 C PHE A 73 -5.481 5.149 -8.487 1.00 0.00 C ATOM 1094 O PHE A 73 -6.457 4.796 -9.144 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.619 7.519 -7.675 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.267 8.331 -6.591 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.653 8.255 -6.405 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.492 9.144 -5.765 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.257 8.992 -5.392 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -6.097 9.883 -4.756 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.480 9.809 -4.565 1.00 0.00 C ATOM 0 H PHE A 73 -4.006 6.475 -6.042 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.635 5.838 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.590 7.845 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.143 7.664 -8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.251 7.625 -7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.423 9.199 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.325 8.933 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.498 10.516 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.948 10.383 -3.779 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.240 4.832 -8.818 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.974 3.999 -9.990 1.00 0.00 C ATOM 1113 C ARG A 74 -4.561 2.609 -9.831 1.00 0.00 C ATOM 1114 O ARG A 74 -4.849 1.940 -10.822 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.469 3.899 -10.304 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.952 5.239 -10.846 1.00 0.00 C ATOM 1117 CD ARG A 74 -0.460 5.118 -11.197 1.00 0.00 C ATOM 1118 NE ARG A 74 0.363 4.986 -9.992 1.00 0.00 N ATOM 1119 CZ ARG A 74 1.196 3.949 -9.805 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.235 2.975 -10.665 1.00 0.00 N ATOM 1121 NH2 ARG A 74 1.973 3.915 -8.761 1.00 0.00 N ATOM 0 H ARG A 74 -3.410 5.130 -8.305 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.462 4.491 -10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.919 3.626 -9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.294 3.110 -11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.521 5.528 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.098 6.023 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.305 4.253 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.145 5.996 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 74 0.301 5.705 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.631 2.996 -11.487 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.869 2.190 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.950 4.677 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.605 3.127 -8.621 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.526 2.099 -8.610 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.879 0.702 -8.354 1.00 0.00 C ATOM 1137 C LEU A 75 -6.310 0.517 -7.886 1.00 0.00 C ATOM 1138 O LEU A 75 -6.628 -0.496 -7.280 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.935 0.096 -7.345 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.508 0.255 -7.839 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.566 -0.283 -6.793 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.311 -0.511 -9.154 1.00 0.00 C ATOM 0 H LEU A 75 -4.258 2.626 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.788 0.188 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.054 0.585 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.167 -0.959 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.303 1.311 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.538 -0.173 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.698 0.272 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.780 -1.338 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.283 -0.388 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.516 -1.569 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.994 -0.120 -9.908 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.171 1.467 -8.160 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.563 1.349 -7.730 1.00 0.00 C ATOM 1156 C GLN A 76 -9.139 0.008 -8.192 1.00 0.00 C ATOM 1157 O GLN A 76 -10.005 -0.571 -7.535 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.377 2.515 -8.286 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.881 3.810 -7.632 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.539 5.012 -8.274 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.761 5.164 -8.218 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -8.810 5.863 -8.914 1.00 0.00 N ATOM 0 H GLN A 76 -6.948 2.322 -8.670 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.612 1.385 -6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.267 2.571 -9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.437 2.369 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.102 3.793 -6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.798 3.884 -7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.799 5.736 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.245 6.663 -9.374 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.553 -0.525 -9.253 1.00 0.00 N ATOM 1172 CA VAL A 77 -8.898 -1.832 -9.791 1.00 0.00 C ATOM 1173 C VAL A 77 -8.645 -2.955 -8.764 1.00 0.00 C ATOM 1174 O VAL A 77 -9.284 -4.014 -8.816 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.103 -2.078 -11.092 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.597 -2.117 -10.799 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.528 -3.396 -11.731 1.00 0.00 C ATOM 0 H VAL A 77 -7.812 -0.054 -9.773 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.964 -1.845 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.314 -1.260 -11.780 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.050 -2.291 -11.726 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.286 -1.166 -10.367 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.384 -2.922 -10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.959 -3.556 -12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.337 -4.215 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.592 -3.360 -11.966 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.712 -2.727 -7.844 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.396 -3.705 -6.802 1.00 0.00 C ATOM 1189 C GLY A 78 -5.985 -4.235 -6.939 1.00 0.00 C ATOM 1190 O GLY A 78 -5.595 -5.175 -6.245 1.00 0.00 O ATOM 0 H GLY A 78 -7.159 -1.871 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.518 -3.244 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.102 -4.533 -6.855 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.242 -3.680 -7.864 1.00 0.00 N ATOM 1195 CA GLU A 79 -3.909 -4.172 -8.145 1.00 0.00 C ATOM 1196 C GLU A 79 -2.898 -3.753 -7.079 1.00 0.00 C ATOM 1197 O GLU A 79 -3.224 -3.009 -6.151 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.438 -3.736 -9.528 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.488 -4.925 -10.506 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.586 -6.074 -10.047 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.834 -5.900 -9.098 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -2.666 -7.122 -10.638 1.00 0.00 O ATOM 0 H GLU A 79 -5.534 -2.888 -8.437 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.970 -5.260 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.068 -2.926 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.421 -3.347 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.514 -5.281 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.179 -4.594 -11.498 1.00 0.00 H new ATOM 1209 N VAL A 80 -1.683 -4.280 -7.212 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.584 -4.010 -6.288 1.00 0.00 C ATOM 1211 C VAL A 80 0.404 -3.032 -6.936 1.00 0.00 C ATOM 1212 O VAL A 80 0.804 -3.215 -8.094 1.00 0.00 O ATOM 1213 CB VAL A 80 0.122 -5.337 -5.956 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.090 -5.145 -4.794 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.918 -6.395 -5.578 1.00 0.00 C ATOM 0 H VAL A 80 -1.431 -4.913 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.967 -3.563 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 80 0.678 -5.665 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.582 -6.092 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.840 -4.401 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.541 -4.805 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.414 -7.333 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.480 -6.058 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.601 -6.549 -6.414 1.00 0.00 H new ATOM 1225 N SER A 81 0.713 -1.955 -6.231 1.00 0.00 N ATOM 1226 CA SER A 81 1.538 -0.877 -6.769 1.00 0.00 C ATOM 1227 C SER A 81 2.956 -1.307 -6.985 1.00 0.00 C ATOM 1228 O SER A 81 3.527 -2.022 -6.156 1.00 0.00 O ATOM 1229 CB SER A 81 1.532 0.327 -5.809 1.00 0.00 C ATOM 1230 OG SER A 81 2.302 0.012 -4.640 1.00 0.00 O ATOM 0 H SER A 81 0.402 -1.801 -5.272 1.00 0.00 H new ATOM 0 HA SER A 81 1.109 -0.600 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.948 1.204 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.509 0.576 -5.527 1.00 0.00 H new ATOM 0 HG SER A 81 3.247 0.208 -4.808 1.00 0.00 H new ATOM 1236 N GLU A 82 3.592 -0.679 -7.961 1.00 0.00 N ATOM 1237 CA GLU A 82 5.019 -0.793 -8.107 1.00 0.00 C ATOM 1238 C GLU A 82 5.636 -0.177 -6.872 1.00 0.00 C ATOM 1239 O GLU A 82 4.946 0.532 -6.128 1.00 0.00 O ATOM 1240 CB GLU A 82 5.485 -0.047 -9.366 1.00 0.00 C ATOM 1241 CG GLU A 82 4.431 -0.208 -10.471 1.00 0.00 C ATOM 1242 CD GLU A 82 3.503 0.987 -10.471 1.00 0.00 C ATOM 1243 OE1 GLU A 82 3.828 1.961 -11.102 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.478 0.921 -9.829 1.00 0.00 O ATOM 0 H GLU A 82 3.137 -0.089 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 82 5.319 -1.835 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.635 1.009 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.444 -0.441 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.919 -0.301 -11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.861 -1.123 -10.312 1.00 0.00 H new ATOM 1251 N PRO A 83 6.874 -0.425 -6.607 1.00 0.00 N ATOM 1252 CA PRO A 83 7.485 0.134 -5.393 1.00 0.00 C ATOM 1253 C PRO A 83 7.291 1.643 -5.369 1.00 0.00 C ATOM 1254 O PRO A 83 7.626 2.330 -6.340 1.00 0.00 O ATOM 1255 CB PRO A 83 8.976 -0.208 -5.545 1.00 0.00 C ATOM 1256 CG PRO A 83 9.068 -1.237 -6.654 1.00 0.00 C ATOM 1257 CD PRO A 83 7.645 -1.553 -7.113 1.00 0.00 C ATOM 0 HA PRO A 83 7.053 -0.260 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.555 0.682 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.381 -0.604 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.661 -0.853 -7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.565 -2.140 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.580 -1.631 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.291 -2.499 -6.704 1.00 0.00 H new ATOM 1265 N VAL A 84 6.772 2.151 -4.268 1.00 0.00 N ATOM 1266 CA VAL A 84 6.553 3.578 -4.111 1.00 0.00 C ATOM 1267 C VAL A 84 7.701 4.163 -3.321 1.00 0.00 C ATOM 1268 O VAL A 84 7.895 3.807 -2.157 1.00 0.00 O ATOM 1269 CB VAL A 84 5.233 3.829 -3.350 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.857 5.313 -3.399 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.091 2.995 -3.952 1.00 0.00 C ATOM 0 H VAL A 84 6.492 1.592 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 84 6.493 4.047 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 84 5.384 3.531 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.924 5.470 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.648 5.904 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.731 5.622 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.170 3.187 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.952 3.270 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.340 1.936 -3.885 1.00 0.00 H new ATOM 1281 N LYS A 85 8.445 5.063 -3.933 1.00 0.00 N ATOM 1282 CA LYS A 85 9.544 5.712 -3.259 1.00 0.00 C ATOM 1283 C LYS A 85 9.044 6.783 -2.329 1.00 0.00 C ATOM 1284 O LYS A 85 8.204 7.606 -2.699 1.00 0.00 O ATOM 1285 CB LYS A 85 10.534 6.325 -4.262 1.00 0.00 C ATOM 1286 CG LYS A 85 11.649 5.333 -4.609 1.00 0.00 C ATOM 1287 CD LYS A 85 12.499 5.074 -3.351 1.00 0.00 C ATOM 1288 CE LYS A 85 13.939 4.743 -3.756 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.675 6.002 -4.023 1.00 0.00 N ATOM 0 H LYS A 85 8.305 5.360 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 85 10.063 4.948 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.005 6.615 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.968 7.233 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.222 4.399 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.272 5.732 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.486 5.952 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.074 4.250 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.432 4.181 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.943 4.111 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.653 5.781 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.207 6.521 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.681 6.589 -3.165 1.00 0.00 H new ATOM 1303 N SER A 86 9.620 6.821 -1.163 1.00 0.00 N ATOM 1304 CA SER A 86 9.340 7.838 -0.201 1.00 0.00 C ATOM 1305 C SER A 86 10.560 7.975 0.684 1.00 0.00 C ATOM 1306 O SER A 86 11.438 7.101 0.669 1.00 0.00 O ATOM 1307 CB SER A 86 8.106 7.457 0.621 1.00 0.00 C ATOM 1308 OG SER A 86 8.505 6.592 1.679 1.00 0.00 O ATOM 0 H SER A 86 10.307 6.134 -0.852 1.00 0.00 H new ATOM 0 HA SER A 86 9.126 8.788 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.631 8.351 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.369 6.963 -0.012 1.00 0.00 H new ATOM 0 HG SER A 86 7.867 5.852 1.755 1.00 0.00 H new ATOM 1314 N GLU A 87 10.621 9.026 1.476 1.00 0.00 N ATOM 1315 CA GLU A 87 11.732 9.183 2.388 1.00 0.00 C ATOM 1316 C GLU A 87 11.813 7.960 3.295 1.00 0.00 C ATOM 1317 O GLU A 87 12.905 7.520 3.678 1.00 0.00 O ATOM 1318 CB GLU A 87 11.574 10.466 3.205 1.00 0.00 C ATOM 1319 CG GLU A 87 10.300 10.398 4.057 1.00 0.00 C ATOM 1320 CD GLU A 87 10.090 11.692 4.823 1.00 0.00 C ATOM 1321 OE1 GLU A 87 10.966 12.538 4.798 1.00 0.00 O ATOM 1322 OE2 GLU A 87 9.041 11.831 5.415 1.00 0.00 O ATOM 0 H GLU A 87 9.926 9.772 1.507 1.00 0.00 H new ATOM 0 HA GLU A 87 12.660 9.264 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.443 10.606 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.529 11.327 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.439 10.206 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.369 9.564 4.756 1.00 0.00 H new ATOM 1329 N PHE A 88 10.646 7.380 3.570 1.00 0.00 N ATOM 1330 CA PHE A 88 10.537 6.171 4.369 1.00 0.00 C ATOM 1331 C PHE A 88 11.228 5.007 3.678 1.00 0.00 C ATOM 1332 O PHE A 88 11.900 4.202 4.320 1.00 0.00 O ATOM 1333 CB PHE A 88 9.061 5.811 4.587 1.00 0.00 C ATOM 1334 CG PHE A 88 8.401 6.813 5.503 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.722 6.840 6.859 1.00 0.00 C ATOM 1336 CD2 PHE A 88 7.461 7.715 4.988 1.00 0.00 C ATOM 1337 CE1 PHE A 88 8.106 7.767 7.704 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.845 8.641 5.834 1.00 0.00 C ATOM 1339 CZ PHE A 88 7.170 8.668 7.192 1.00 0.00 C ATOM 0 H PHE A 88 9.750 7.740 3.242 1.00 0.00 H new ATOM 0 HA PHE A 88 11.018 6.359 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.541 5.788 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.984 4.812 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.447 6.145 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.212 7.695 3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.354 7.787 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.118 9.335 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.697 9.386 7.846 1.00 0.00 H new ATOM 1349 N GLY A 89 11.022 4.898 2.373 1.00 0.00 N ATOM 1350 CA GLY A 89 11.582 3.792 1.603 1.00 0.00 C ATOM 1351 C GLY A 89 10.666 3.409 0.460 1.00 0.00 C ATOM 1352 O GLY A 89 10.185 4.280 -0.278 1.00 0.00 O ATOM 0 H GLY A 89 10.473 5.560 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.559 4.075 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.736 2.932 2.254 1.00 0.00 H new ATOM 1356 N TYR A 90 10.422 2.114 0.315 1.00 0.00 N ATOM 1357 CA TYR A 90 9.558 1.609 -0.740 1.00 0.00 C ATOM 1358 C TYR A 90 8.237 1.137 -0.161 1.00 0.00 C ATOM 1359 O TYR A 90 8.217 0.230 0.666 1.00 0.00 O ATOM 1360 CB TYR A 90 10.223 0.401 -1.420 1.00 0.00 C ATOM 1361 CG TYR A 90 11.444 0.810 -2.205 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.305 1.386 -3.471 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.715 0.592 -1.671 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.439 1.750 -4.196 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.848 0.950 -2.396 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.713 1.529 -3.659 1.00 0.00 C ATOM 1367 OH TYR A 90 14.831 1.888 -4.374 1.00 0.00 O ATOM 0 H TYR A 90 10.813 1.391 0.919 1.00 0.00 H new ATOM 0 HA TYR A 90 9.390 2.415 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.504 -0.333 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.507 -0.083 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.322 1.549 -3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.820 0.145 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.335 2.202 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.831 0.780 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 90 15.634 1.667 -3.858 1.00 0.00 H new ATOM 1377 N HIS A 91 7.134 1.624 -0.712 1.00 0.00 N ATOM 1378 CA HIS A 91 5.825 1.099 -0.331 1.00 0.00 C ATOM 1379 C HIS A 91 5.256 0.273 -1.457 1.00 0.00 C ATOM 1380 O HIS A 91 5.297 0.688 -2.615 1.00 0.00 O ATOM 1381 CB HIS A 91 4.801 2.203 0.009 1.00 0.00 C ATOM 1382 CG HIS A 91 5.372 3.217 0.952 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.792 3.479 2.186 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.442 4.068 0.851 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.515 4.453 2.777 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.529 4.846 2.004 1.00 0.00 N ATOM 0 H HIS A 91 7.114 2.367 -1.411 1.00 0.00 H new ATOM 0 HA HIS A 91 5.990 0.500 0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.482 2.698 -0.908 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.914 1.752 0.453 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.969 3.019 2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.114 4.127 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.300 4.863 3.753 1.00 0.00 H new ATOM 1394 N VAL A 92 4.622 -0.817 -1.103 1.00 0.00 N ATOM 1395 CA VAL A 92 3.863 -1.608 -2.047 1.00 0.00 C ATOM 1396 C VAL A 92 2.407 -1.491 -1.653 1.00 0.00 C ATOM 1397 O VAL A 92 2.052 -1.793 -0.508 1.00 0.00 O ATOM 1398 CB VAL A 92 4.324 -3.071 -2.002 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.933 -3.787 -3.304 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.850 -3.120 -1.838 1.00 0.00 C ATOM 0 H VAL A 92 4.616 -1.184 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 92 4.012 -1.252 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 92 3.844 -3.569 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.264 -4.825 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.850 -3.757 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.407 -3.288 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.179 -4.159 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.323 -2.615 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.133 -2.621 -0.911 1.00 0.00 H new ATOM 1410 N ILE A 93 1.610 -0.905 -2.519 1.00 0.00 N ATOM 1411 CA ILE A 93 0.241 -0.586 -2.176 1.00 0.00 C ATOM 1412 C ILE A 93 -0.726 -1.439 -2.969 1.00 0.00 C ATOM 1413 O ILE A 93 -0.760 -1.367 -4.194 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.024 0.900 -2.463 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.931 1.756 -1.629 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.474 1.261 -2.104 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.828 3.211 -2.080 1.00 0.00 C ATOM 0 H ILE A 93 1.885 -0.640 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 93 0.090 -0.791 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 93 0.137 1.090 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.683 1.673 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.954 1.399 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.648 2.317 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.158 0.656 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.646 1.067 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.507 3.824 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.097 3.285 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.194 3.564 -1.941 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.605 -2.127 -2.275 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.685 -2.834 -2.932 1.00 0.00 C ATOM 1431 C LYS A 94 -3.988 -2.178 -2.554 1.00 0.00 C ATOM 1432 O LYS A 94 -4.174 -1.765 -1.399 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.705 -4.322 -2.563 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.776 -5.039 -3.407 1.00 0.00 C ATOM 1435 CD LYS A 94 -3.761 -6.536 -3.096 1.00 0.00 C ATOM 1436 CE LYS A 94 -4.834 -7.261 -3.928 1.00 0.00 C ATOM 1437 NZ LYS A 94 -4.554 -7.105 -5.380 1.00 0.00 N ATOM 0 H LYS A 94 -1.595 -2.213 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.534 -2.780 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.726 -4.767 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.920 -4.443 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.760 -4.623 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.586 -4.876 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.777 -6.951 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.944 -6.696 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.854 -8.319 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.819 -6.857 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.768 -7.996 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.147 -6.344 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.551 -6.867 -5.516 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.881 -2.051 -3.509 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.148 -1.405 -3.243 1.00 0.00 C ATOM 1453 C ARG A 95 -7.080 -2.356 -2.536 1.00 0.00 C ATOM 1454 O ARG A 95 -7.054 -3.563 -2.779 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.789 -0.852 -4.514 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.485 0.481 -4.195 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.949 0.229 -3.815 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.692 -0.320 -4.939 1.00 0.00 N ATOM 1459 CZ ARG A 95 -10.920 -0.808 -4.786 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.448 -0.900 -3.596 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.577 -1.212 -5.825 1.00 0.00 N ATOM 0 H ARG A 95 -4.757 -2.382 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.955 -0.553 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.030 -0.704 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.510 -1.566 -4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.969 0.983 -3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.434 1.144 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.996 -0.460 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.410 1.162 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.262 -0.331 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.919 -0.597 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.390 -1.275 -3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.153 -1.155 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.519 -1.588 -5.718 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.827 -1.816 -1.606 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.703 -2.588 -0.765 1.00 0.00 C ATOM 1477 C LEU A 96 -10.150 -2.306 -1.119 1.00 0.00 C ATOM 1478 O LEU A 96 -10.527 -1.164 -1.355 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.423 -2.231 0.698 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.419 -2.923 1.629 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.237 -4.441 1.546 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.155 -2.465 3.065 1.00 0.00 C ATOM 0 H LEU A 96 -7.843 -0.815 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.522 -3.652 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.407 -2.527 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.485 -1.151 0.831 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.436 -2.665 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.949 -4.930 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.410 -4.773 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.222 -4.703 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.860 -2.953 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.137 -2.731 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.279 -1.384 3.131 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.937 -3.346 -1.232 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.350 -3.214 -1.574 1.00 0.00 C ATOM 1496 C GLY A 97 -13.225 -3.779 -0.465 1.00 0.00 C ATOM 1497 O GLY A 97 -12.826 -4.742 0.138 1.00 0.00 O ATOM 1498 OXT GLY A 97 -14.277 -3.234 -0.225 1.00 0.00 O ATOM 0 H GLY A 97 -10.628 -4.308 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.594 -2.164 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.554 -3.738 -2.508 1.00 0.00 H new