USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 89 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 34 CYS SG : rot 56:sc= 0.139 USER MOD Set 2.2: A 69 MET CE :methyl -170:sc= -0.0529 (180deg=-0.426) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0.722 (180deg=0.444) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.311 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 1.15 K(o=1.2,f=-0.059) USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.421 K(o=0.42,f=-1.8!) USER MOD Single : A 44 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.068) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0185 (180deg=-0.196) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -144:sc= -1.59 (180deg=-5.61!) USER MOD Single : A 77 SER OG : rot 55:sc= 0.645 USER MOD Single : A 78 MET CE :methyl 149:sc= -0.622 (180deg=-2.24!) USER MOD Single : A 80 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.14) USER MOD Single : A 82 TYR OH : rot -61:sc= 0.29 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.144 USER MOD Single : A 93 MET CE :methyl 157:sc= -0.0438 (180deg=-0.5) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.314 -3.690 2.261 1.00 0.00 N ATOM 127 CA PHE A 11 -12.229 -3.225 0.884 1.00 0.00 C ATOM 128 C PHE A 11 -11.074 -2.241 0.736 1.00 0.00 C ATOM 129 O PHE A 11 -11.213 -1.172 0.148 1.00 0.00 O ATOM 130 CB PHE A 11 -13.566 -2.667 0.395 1.00 0.00 C ATOM 131 CG PHE A 11 -14.764 -3.542 0.696 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.644 -4.940 0.701 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.004 -2.949 0.973 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.762 -5.740 0.974 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.122 -3.749 1.251 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.000 -5.145 1.251 1.00 0.00 C ATOM 0 HA PHE A 11 -12.014 -4.074 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.724 -1.689 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.508 -2.512 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.689 -5.400 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.099 -1.873 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.669 -6.816 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.076 -3.290 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.860 -5.762 1.464 1.00 0.00 H new ATOM 146 N VAL A 12 -9.924 -2.630 1.287 1.00 0.00 N ATOM 147 CA VAL A 12 -8.694 -1.855 1.239 1.00 0.00 C ATOM 148 C VAL A 12 -7.585 -2.777 0.753 1.00 0.00 C ATOM 149 O VAL A 12 -7.667 -3.991 0.935 1.00 0.00 O ATOM 150 CB VAL A 12 -8.367 -1.311 2.637 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.078 -0.492 2.654 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.489 -0.409 3.141 1.00 0.00 C ATOM 0 H VAL A 12 -9.824 -3.512 1.789 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.798 -1.006 0.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.249 -2.184 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.890 -0.130 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.245 -1.117 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.177 0.356 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.237 -0.034 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.616 0.431 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.417 -0.978 3.193 1.00 0.00 H new ATOM 162 N VAL A 13 -6.550 -2.206 0.138 1.00 0.00 N ATOM 163 CA VAL A 13 -5.399 -2.984 -0.297 1.00 0.00 C ATOM 164 C VAL A 13 -4.102 -2.243 -0.018 1.00 0.00 C ATOM 165 O VAL A 13 -4.073 -1.018 0.083 1.00 0.00 O ATOM 166 CB VAL A 13 -5.493 -3.330 -1.787 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.668 -4.273 -2.038 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.649 -2.081 -2.655 1.00 0.00 C ATOM 0 H VAL A 13 -6.488 -1.209 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.401 -3.912 0.274 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.560 -3.820 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.723 -4.511 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.526 -5.191 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.594 -3.791 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.712 -2.372 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.558 -1.551 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.788 -1.428 -2.511 1.00 0.00 H new ATOM 178 N LYS A 14 -3.022 -3.015 0.104 1.00 0.00 N ATOM 179 CA LYS A 14 -1.678 -2.501 0.286 1.00 0.00 C ATOM 180 C LYS A 14 -1.051 -2.263 -1.082 1.00 0.00 C ATOM 181 O LYS A 14 -1.515 -2.809 -2.082 1.00 0.00 O ATOM 182 CB LYS A 14 -0.832 -3.520 1.060 1.00 0.00 C ATOM 183 CG LYS A 14 -1.619 -4.182 2.193 1.00 0.00 C ATOM 184 CD LYS A 14 -0.685 -5.024 3.063 1.00 0.00 C ATOM 185 CE LYS A 14 -1.506 -5.853 4.049 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.636 -6.555 5.011 1.00 0.00 N ATOM 0 H LYS A 14 -3.065 -4.034 0.078 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.717 -1.568 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.472 -4.287 0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.046 -3.023 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.106 -3.420 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.407 -4.811 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.082 -5.680 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.005 -4.377 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.197 -5.204 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.109 -6.579 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.223 -7.041 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.053 -7.253 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.018 -5.867 5.487 1.00 0.00 H new ATOM 200 N LEU A 15 0.002 -1.451 -1.121 1.00 0.00 N ATOM 201 CA LEU A 15 0.779 -1.197 -2.317 1.00 0.00 C ATOM 202 C LEU A 15 2.248 -1.177 -1.904 1.00 0.00 C ATOM 203 O LEU A 15 2.573 -0.689 -0.822 1.00 0.00 O ATOM 204 CB LEU A 15 0.330 0.165 -2.853 1.00 0.00 C ATOM 205 CG LEU A 15 0.416 0.356 -4.367 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.784 -0.005 -4.937 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.655 -0.468 -5.077 1.00 0.00 C ATOM 0 H LEU A 15 0.341 -0.944 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 15 0.641 -1.952 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.702 0.331 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.933 0.937 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 15 0.252 1.419 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.782 0.152 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.546 0.626 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.003 -1.051 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.576 -0.317 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.514 -1.524 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.642 -0.152 -4.738 1.00 0.00 H new ATOM 219 N ARG A 16 3.143 -1.700 -2.745 1.00 0.00 N ATOM 220 CA ARG A 16 4.575 -1.683 -2.464 1.00 0.00 C ATOM 221 C ARG A 16 5.351 -1.485 -3.757 1.00 0.00 C ATOM 222 O ARG A 16 4.822 -1.725 -4.842 1.00 0.00 O ATOM 223 CB ARG A 16 5.032 -2.990 -1.806 1.00 0.00 C ATOM 224 CG ARG A 16 4.138 -3.470 -0.663 1.00 0.00 C ATOM 225 CD ARG A 16 4.813 -4.682 -0.022 1.00 0.00 C ATOM 226 NE ARG A 16 4.022 -5.213 1.093 1.00 0.00 N ATOM 227 CZ ARG A 16 3.400 -6.395 1.092 1.00 0.00 C ATOM 228 NH1 ARG A 16 3.430 -7.197 0.031 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.730 -6.790 2.172 1.00 0.00 N ATOM 0 H ARG A 16 2.896 -2.142 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 16 4.769 -0.860 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.077 -3.769 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.045 -2.856 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.998 -2.677 0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.149 -3.736 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.954 -5.460 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.804 -4.401 0.335 1.00 0.00 H new ATOM 0 HE ARG A 16 3.941 -4.637 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.937 -6.914 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.946 -8.095 0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.693 -6.191 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.254 -7.692 2.175 1.00 0.00 H new ATOM 243 N GLY A 17 6.607 -1.048 -3.644 1.00 0.00 N ATOM 244 CA GLY A 17 7.453 -0.845 -4.805 1.00 0.00 C ATOM 245 C GLY A 17 7.512 0.623 -5.203 1.00 0.00 C ATOM 246 O GLY A 17 7.252 1.508 -4.388 1.00 0.00 O ATOM 0 H GLY A 17 7.055 -0.829 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.459 -1.206 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.074 -1.434 -5.640 1.00 0.00 H new ATOM 250 N LEU A 18 7.861 0.852 -6.473 1.00 0.00 N ATOM 251 CA LEU A 18 7.899 2.157 -7.129 1.00 0.00 C ATOM 252 C LEU A 18 9.255 2.857 -6.937 1.00 0.00 C ATOM 253 O LEU A 18 9.987 2.517 -6.013 1.00 0.00 O ATOM 254 CB LEU A 18 6.742 3.058 -6.664 1.00 0.00 C ATOM 255 CG LEU A 18 5.380 2.349 -6.633 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.276 3.386 -6.471 1.00 0.00 C ATOM 257 CD2 LEU A 18 5.129 1.553 -7.907 1.00 0.00 C ATOM 0 H LEU A 18 8.137 0.095 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 18 7.773 1.977 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.967 3.437 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.677 3.921 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 18 5.383 1.655 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.308 2.886 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.424 3.932 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.305 4.083 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.156 1.066 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.146 2.225 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.906 0.797 -8.023 1.00 0.00 H new ATOM 269 N PRO A 19 9.586 3.828 -7.805 1.00 0.00 N ATOM 270 CA PRO A 19 10.747 4.724 -7.760 1.00 0.00 C ATOM 271 C PRO A 19 10.950 5.543 -6.474 1.00 0.00 C ATOM 272 O PRO A 19 11.314 6.716 -6.556 1.00 0.00 O ATOM 273 CB PRO A 19 10.577 5.667 -8.957 1.00 0.00 C ATOM 274 CG PRO A 19 9.717 4.872 -9.928 1.00 0.00 C ATOM 275 CD PRO A 19 8.793 4.117 -8.983 1.00 0.00 C ATOM 0 HA PRO A 19 11.641 4.101 -7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.093 6.599 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.538 5.931 -9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.164 5.520 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.312 4.197 -10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.919 4.716 -8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.427 3.199 -9.443 1.00 0.00 H new ATOM 283 N TRP A 20 10.726 4.961 -5.291 1.00 0.00 N ATOM 284 CA TRP A 20 10.883 5.628 -4.000 1.00 0.00 C ATOM 285 C TRP A 20 9.948 6.828 -3.829 1.00 0.00 C ATOM 286 O TRP A 20 10.096 7.585 -2.872 1.00 0.00 O ATOM 287 CB TRP A 20 12.342 6.047 -3.774 1.00 0.00 C ATOM 288 CG TRP A 20 13.382 5.142 -4.354 1.00 0.00 C ATOM 289 CD1 TRP A 20 14.006 5.348 -5.533 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.943 3.900 -3.826 1.00 0.00 C ATOM 291 NE1 TRP A 20 14.866 4.310 -5.802 1.00 0.00 N ATOM 292 CE2 TRP A 20 14.859 3.380 -4.787 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.804 3.179 -2.624 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.551 2.184 -4.593 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.531 1.998 -2.407 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.364 1.482 -3.402 1.00 0.00 C ATOM 0 H TRP A 20 10.424 3.991 -5.206 1.00 0.00 H new ATOM 0 HA TRP A 20 10.600 4.898 -3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.482 7.044 -4.193 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.515 6.125 -2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.852 6.205 -6.173 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.436 4.238 -6.645 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.130 3.539 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.220 1.808 -5.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.445 1.483 -1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.865 0.537 -3.249 1.00 0.00 H new ATOM 307 N SER A 21 8.991 7.007 -4.744 1.00 0.00 N ATOM 308 CA SER A 21 8.031 8.101 -4.694 1.00 0.00 C ATOM 309 C SER A 21 6.808 7.751 -5.539 1.00 0.00 C ATOM 310 O SER A 21 6.886 6.893 -6.419 1.00 0.00 O ATOM 311 CB SER A 21 8.693 9.371 -5.229 1.00 0.00 C ATOM 312 OG SER A 21 7.809 10.465 -5.108 1.00 0.00 O ATOM 0 H SER A 21 8.864 6.389 -5.545 1.00 0.00 H new ATOM 0 HA SER A 21 7.711 8.265 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.611 9.572 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.973 9.233 -6.273 1.00 0.00 H new ATOM 0 HG SER A 21 8.242 11.275 -5.451 1.00 0.00 H new ATOM 318 N CYS A 22 5.677 8.413 -5.274 1.00 0.00 N ATOM 319 CA CYS A 22 4.429 8.165 -5.980 1.00 0.00 C ATOM 320 C CYS A 22 3.435 9.300 -5.720 1.00 0.00 C ATOM 321 O CYS A 22 3.700 10.191 -4.913 1.00 0.00 O ATOM 322 CB CYS A 22 3.859 6.833 -5.486 1.00 0.00 C ATOM 323 SG CYS A 22 2.496 6.288 -6.550 1.00 0.00 S ATOM 0 H CYS A 22 5.608 9.138 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 22 4.609 8.119 -7.054 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.644 6.077 -5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.506 6.940 -4.460 1.00 0.00 H new ATOM 0 HG CYS A 22 2.030 5.156 -6.113 1.00 0.00 H new ATOM 329 N SER A 23 2.289 9.261 -6.404 1.00 0.00 N ATOM 330 CA SER A 23 1.199 10.212 -6.225 1.00 0.00 C ATOM 331 C SER A 23 -0.125 9.469 -6.371 1.00 0.00 C ATOM 332 O SER A 23 -0.175 8.384 -6.950 1.00 0.00 O ATOM 333 CB SER A 23 1.292 11.336 -7.258 1.00 0.00 C ATOM 334 OG SER A 23 2.539 11.995 -7.165 1.00 0.00 O ATOM 0 H SER A 23 2.093 8.552 -7.111 1.00 0.00 H new ATOM 0 HA SER A 23 1.265 10.661 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.164 10.927 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.484 12.051 -7.100 1.00 0.00 H new ATOM 0 HG SER A 23 2.582 12.710 -7.834 1.00 0.00 H new ATOM 340 N VAL A 24 -1.209 10.047 -5.845 1.00 0.00 N ATOM 341 CA VAL A 24 -2.495 9.363 -5.793 1.00 0.00 C ATOM 342 C VAL A 24 -3.064 9.091 -7.182 1.00 0.00 C ATOM 343 O VAL A 24 -3.901 8.203 -7.332 1.00 0.00 O ATOM 344 CB VAL A 24 -3.504 10.128 -4.919 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.844 11.228 -4.086 1.00 0.00 C ATOM 346 CG2 VAL A 24 -4.641 10.759 -5.714 1.00 0.00 C ATOM 0 H VAL A 24 -1.217 10.987 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.315 8.394 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.915 9.362 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.601 11.736 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.097 10.786 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.363 11.947 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.314 11.282 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.232 11.467 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.192 9.980 -6.242 1.00 0.00 H new ATOM 356 N GLU A 25 -2.626 9.839 -8.198 1.00 0.00 N ATOM 357 CA GLU A 25 -3.134 9.665 -9.548 1.00 0.00 C ATOM 358 C GLU A 25 -2.446 8.505 -10.260 1.00 0.00 C ATOM 359 O GLU A 25 -3.031 7.919 -11.167 1.00 0.00 O ATOM 360 CB GLU A 25 -2.915 10.949 -10.346 1.00 0.00 C ATOM 361 CG GLU A 25 -3.686 12.114 -9.726 1.00 0.00 C ATOM 362 CD GLU A 25 -3.538 13.376 -10.573 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.574 14.132 -10.319 1.00 0.00 O ATOM 364 OE2 GLU A 25 -4.388 13.575 -11.469 1.00 0.00 O ATOM 0 H GLU A 25 -1.920 10.569 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.198 9.440 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.852 11.186 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.238 10.801 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.740 11.852 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.319 12.303 -8.717 1.00 0.00 H new ATOM 371 N ASP A 26 -1.216 8.165 -9.867 1.00 0.00 N ATOM 372 CA ASP A 26 -0.487 7.074 -10.499 1.00 0.00 C ATOM 373 C ASP A 26 -0.926 5.733 -9.920 1.00 0.00 C ATOM 374 O ASP A 26 -0.954 4.732 -10.634 1.00 0.00 O ATOM 375 CB ASP A 26 1.014 7.264 -10.283 1.00 0.00 C ATOM 376 CG ASP A 26 1.522 8.510 -11.000 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.569 8.475 -12.251 1.00 0.00 O ATOM 378 OD2 ASP A 26 1.859 9.487 -10.295 1.00 0.00 O ATOM 0 H ASP A 26 -0.709 8.631 -9.115 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.704 7.080 -11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.223 7.345 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.550 6.388 -10.647 1.00 0.00 H new ATOM 383 N VAL A 27 -1.272 5.703 -8.630 1.00 0.00 N ATOM 384 CA VAL A 27 -1.707 4.466 -8.002 1.00 0.00 C ATOM 385 C VAL A 27 -3.107 4.088 -8.483 1.00 0.00 C ATOM 386 O VAL A 27 -3.378 2.909 -8.700 1.00 0.00 O ATOM 387 CB VAL A 27 -1.623 4.609 -6.479 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.593 5.656 -5.944 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.901 3.273 -5.797 1.00 0.00 C ATOM 0 H VAL A 27 -1.258 6.514 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.047 3.648 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.609 4.937 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.497 5.721 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.364 6.625 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.613 5.372 -6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.836 3.396 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.900 2.929 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.165 2.538 -6.123 1.00 0.00 H new ATOM 399 N GLN A 28 -4.008 5.060 -8.660 1.00 0.00 N ATOM 400 CA GLN A 28 -5.329 4.750 -9.189 1.00 0.00 C ATOM 401 C GLN A 28 -5.269 4.487 -10.695 1.00 0.00 C ATOM 402 O GLN A 28 -6.170 3.856 -11.244 1.00 0.00 O ATOM 403 CB GLN A 28 -6.313 5.872 -8.852 1.00 0.00 C ATOM 404 CG GLN A 28 -5.943 7.190 -9.528 1.00 0.00 C ATOM 405 CD GLN A 28 -6.886 8.310 -9.107 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.591 8.874 -9.938 1.00 0.00 O ATOM 407 NE2 GLN A 28 -6.916 8.648 -7.818 1.00 0.00 N ATOM 0 H GLN A 28 -3.848 6.045 -8.449 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.687 3.836 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.316 5.577 -9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.341 6.016 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.918 7.458 -9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.979 7.069 -10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.319 8.162 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.536 9.393 -7.500 1.00 0.00 H new ATOM 416 N ASN A 29 -4.217 4.962 -11.370 1.00 0.00 N ATOM 417 CA ASN A 29 -3.994 4.662 -12.778 1.00 0.00 C ATOM 418 C ASN A 29 -3.619 3.189 -12.960 1.00 0.00 C ATOM 419 O ASN A 29 -3.915 2.601 -13.999 1.00 0.00 O ATOM 420 CB ASN A 29 -2.888 5.581 -13.311 1.00 0.00 C ATOM 421 CG ASN A 29 -1.831 4.833 -14.112 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.922 4.717 -15.331 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.818 4.322 -13.416 1.00 0.00 N ATOM 0 H ASN A 29 -3.504 5.561 -10.954 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.910 4.839 -13.341 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.334 6.352 -13.939 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.410 6.089 -12.474 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.077 3.810 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.783 4.442 -12.404 1.00 0.00 H new ATOM 430 N PHE A 30 -2.971 2.597 -11.954 1.00 0.00 N ATOM 431 CA PHE A 30 -2.547 1.206 -12.006 1.00 0.00 C ATOM 432 C PHE A 30 -3.667 0.265 -11.559 1.00 0.00 C ATOM 433 O PHE A 30 -3.647 -0.925 -11.868 1.00 0.00 O ATOM 434 CB PHE A 30 -1.312 1.059 -11.127 1.00 0.00 C ATOM 435 CG PHE A 30 -0.833 -0.364 -10.969 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.240 -1.039 -12.045 1.00 0.00 C ATOM 437 CD2 PHE A 30 -0.986 -1.010 -9.736 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.192 -2.365 -11.889 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.563 -2.336 -9.583 1.00 0.00 C ATOM 440 CZ PHE A 30 0.030 -3.013 -10.657 1.00 0.00 C ATOM 0 H PHE A 30 -2.728 3.072 -11.084 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.306 0.929 -13.032 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.505 1.658 -11.550 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.530 1.469 -10.141 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.116 -0.539 -12.994 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.430 -0.485 -8.903 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.649 -2.886 -12.718 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.694 -2.838 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.362 -4.033 -10.535 1.00 0.00 H new ATOM 450 N LEU A 31 -4.647 0.801 -10.828 1.00 0.00 N ATOM 451 CA LEU A 31 -5.818 0.064 -10.374 1.00 0.00 C ATOM 452 C LEU A 31 -6.995 0.392 -11.291 1.00 0.00 C ATOM 453 O LEU A 31 -8.008 0.937 -10.857 1.00 0.00 O ATOM 454 CB LEU A 31 -6.119 0.406 -8.909 1.00 0.00 C ATOM 455 CG LEU A 31 -5.316 -0.430 -7.909 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.824 -0.455 -8.220 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.523 0.131 -6.504 1.00 0.00 C ATOM 0 H LEU A 31 -4.645 1.777 -10.532 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.633 -1.009 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.908 1.462 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.183 0.260 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.680 -1.455 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.308 -1.063 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.666 -0.881 -9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.430 0.561 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.953 -0.461 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.182 1.166 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.582 0.089 -6.248 1.00 0.00 H new ATOM 469 N SER A 32 -6.857 0.056 -12.575 1.00 0.00 N ATOM 470 CA SER A 32 -7.904 0.255 -13.559 1.00 0.00 C ATOM 471 C SER A 32 -9.214 -0.375 -13.093 1.00 0.00 C ATOM 472 O SER A 32 -9.219 -1.405 -12.421 1.00 0.00 O ATOM 473 CB SER A 32 -7.466 -0.357 -14.888 1.00 0.00 C ATOM 474 OG SER A 32 -6.250 0.224 -15.309 1.00 0.00 O ATOM 0 H SER A 32 -6.009 -0.363 -12.956 1.00 0.00 H new ATOM 0 HA SER A 32 -8.073 1.324 -13.687 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.345 -1.435 -14.779 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.236 -0.197 -15.643 1.00 0.00 H new ATOM 0 HG SER A 32 -5.975 -0.175 -16.161 1.00 0.00 H new ATOM 480 N ASP A 33 -10.322 0.269 -13.466 1.00 0.00 N ATOM 481 CA ASP A 33 -11.690 -0.114 -13.134 1.00 0.00 C ATOM 482 C ASP A 33 -11.991 -0.156 -11.630 1.00 0.00 C ATOM 483 O ASP A 33 -13.145 -0.359 -11.256 1.00 0.00 O ATOM 484 CB ASP A 33 -12.044 -1.439 -13.816 1.00 0.00 C ATOM 485 CG ASP A 33 -11.865 -1.352 -15.329 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.693 -0.666 -15.970 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.903 -1.972 -15.835 1.00 0.00 O ATOM 0 H ASP A 33 -10.284 1.114 -14.036 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.332 0.678 -13.520 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.413 -2.234 -13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.076 -1.705 -13.585 1.00 0.00 H new ATOM 492 N CYS A 34 -10.991 0.029 -10.762 1.00 0.00 N ATOM 493 CA CYS A 34 -11.212 0.080 -9.324 1.00 0.00 C ATOM 494 C CYS A 34 -11.784 1.440 -8.923 1.00 0.00 C ATOM 495 O CYS A 34 -12.049 2.297 -9.766 1.00 0.00 O ATOM 496 CB CYS A 34 -9.885 -0.159 -8.599 1.00 0.00 C ATOM 497 SG CYS A 34 -9.248 -1.807 -9.003 1.00 0.00 S ATOM 0 H CYS A 34 -10.016 0.146 -11.039 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.927 -0.694 -9.045 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.160 0.602 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.028 -0.069 -7.522 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.138 -1.926 -10.293 1.00 0.00 H new ATOM 503 N THR A 35 -11.970 1.627 -7.614 1.00 0.00 N ATOM 504 CA THR A 35 -12.439 2.870 -7.028 1.00 0.00 C ATOM 505 C THR A 35 -11.554 3.162 -5.821 1.00 0.00 C ATOM 506 O THR A 35 -10.979 2.242 -5.245 1.00 0.00 O ATOM 507 CB THR A 35 -13.914 2.720 -6.642 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.682 2.470 -7.801 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.454 3.983 -5.978 1.00 0.00 C ATOM 0 H THR A 35 -11.793 0.898 -6.923 1.00 0.00 H new ATOM 0 HA THR A 35 -12.374 3.703 -7.727 1.00 0.00 H new ATOM 0 HB THR A 35 -13.986 1.892 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.625 2.372 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.503 3.838 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.882 4.192 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.363 4.823 -6.666 1.00 0.00 H new ATOM 517 N ILE A 36 -11.438 4.434 -5.435 1.00 0.00 N ATOM 518 CA ILE A 36 -10.473 4.879 -4.433 1.00 0.00 C ATOM 519 C ILE A 36 -11.203 5.390 -3.192 1.00 0.00 C ATOM 520 O ILE A 36 -10.711 6.264 -2.482 1.00 0.00 O ATOM 521 CB ILE A 36 -9.562 5.950 -5.057 1.00 0.00 C ATOM 522 CG1 ILE A 36 -9.082 5.572 -6.465 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.349 6.225 -4.172 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.228 4.309 -6.457 1.00 0.00 C ATOM 0 H ILE A 36 -12.014 5.186 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.847 4.046 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.171 6.851 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.945 5.422 -7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.506 6.396 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.723 6.986 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.683 6.578 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.773 5.308 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.910 4.078 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.351 4.467 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.812 3.478 -6.062 1.00 0.00 H new ATOM 536 N HIS A 37 -12.389 4.834 -2.939 1.00 0.00 N ATOM 537 CA HIS A 37 -13.295 5.238 -1.869 1.00 0.00 C ATOM 538 C HIS A 37 -13.744 6.707 -1.962 1.00 0.00 C ATOM 539 O HIS A 37 -14.741 7.082 -1.349 1.00 0.00 O ATOM 540 CB HIS A 37 -12.634 4.907 -0.532 1.00 0.00 C ATOM 541 CG HIS A 37 -13.595 4.881 0.625 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.170 3.759 1.172 1.00 0.00 N ATOM 543 CD2 HIS A 37 -14.058 5.958 1.328 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.958 4.154 2.185 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.926 5.492 2.324 1.00 0.00 N ATOM 0 H HIS A 37 -12.756 4.062 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 37 -14.224 4.676 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.145 3.936 -0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.855 5.642 -0.330 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -14.024 2.798 0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.799 6.991 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.539 3.487 2.805 1.00 0.00 H new ATOM 553 N ASP A 38 -13.017 7.535 -2.722 1.00 0.00 N ATOM 554 CA ASP A 38 -13.331 8.939 -2.961 1.00 0.00 C ATOM 555 C ASP A 38 -12.758 9.409 -4.301 1.00 0.00 C ATOM 556 O ASP A 38 -13.311 10.317 -4.917 1.00 0.00 O ATOM 557 CB ASP A 38 -12.721 9.797 -1.854 1.00 0.00 C ATOM 558 CG ASP A 38 -13.459 9.648 -0.525 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.621 10.106 -0.456 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.853 9.078 0.410 1.00 0.00 O ATOM 0 H ASP A 38 -12.169 7.232 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.416 9.042 -2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.676 9.520 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.737 10.843 -2.159 1.00 0.00 H new ATOM 565 N GLY A 39 -11.656 8.799 -4.757 1.00 0.00 N ATOM 566 CA GLY A 39 -11.052 9.111 -6.047 1.00 0.00 C ATOM 567 C GLY A 39 -9.734 9.864 -5.930 1.00 0.00 C ATOM 568 O GLY A 39 -9.053 10.084 -6.928 1.00 0.00 O ATOM 0 H GLY A 39 -11.162 8.075 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.885 8.184 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.752 9.707 -6.633 1.00 0.00 H new ATOM 572 N ALA A 40 -9.389 10.253 -4.705 1.00 0.00 N ATOM 573 CA ALA A 40 -8.183 10.993 -4.368 1.00 0.00 C ATOM 574 C ALA A 40 -8.087 11.217 -2.857 1.00 0.00 C ATOM 575 O ALA A 40 -7.178 11.904 -2.392 1.00 0.00 O ATOM 576 CB ALA A 40 -8.202 12.347 -5.078 1.00 0.00 C ATOM 0 H ALA A 40 -9.968 10.051 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.319 10.413 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.299 12.903 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.244 12.192 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.077 12.913 -4.759 1.00 0.00 H new ATOM 582 N ALA A 41 -9.020 10.642 -2.088 1.00 0.00 N ATOM 583 CA ALA A 41 -9.084 10.852 -0.646 1.00 0.00 C ATOM 584 C ALA A 41 -9.122 9.530 0.125 1.00 0.00 C ATOM 585 O ALA A 41 -9.495 9.502 1.296 1.00 0.00 O ATOM 586 CB ALA A 41 -10.275 11.753 -0.312 1.00 0.00 C ATOM 0 H ALA A 41 -9.745 10.023 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.172 11.355 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.322 11.909 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.156 12.714 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.196 11.279 -0.650 1.00 0.00 H new ATOM 592 N GLY A 42 -8.734 8.436 -0.537 1.00 0.00 N ATOM 593 CA GLY A 42 -8.631 7.120 0.079 1.00 0.00 C ATOM 594 C GLY A 42 -7.203 6.591 -0.056 1.00 0.00 C ATOM 595 O GLY A 42 -6.907 5.474 0.362 1.00 0.00 O ATOM 0 H GLY A 42 -8.481 8.445 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.908 7.179 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.329 6.431 -0.396 1.00 0.00 H new ATOM 599 N VAL A 43 -6.320 7.403 -0.645 1.00 0.00 N ATOM 600 CA VAL A 43 -4.916 7.075 -0.825 1.00 0.00 C ATOM 601 C VAL A 43 -4.167 7.211 0.503 1.00 0.00 C ATOM 602 O VAL A 43 -4.604 7.934 1.398 1.00 0.00 O ATOM 603 CB VAL A 43 -4.322 8.034 -1.869 1.00 0.00 C ATOM 604 CG1 VAL A 43 -4.192 9.441 -1.285 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.957 7.529 -2.339 1.00 0.00 C ATOM 0 H VAL A 43 -6.572 8.320 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.817 6.045 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.994 8.073 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.770 10.109 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.176 9.804 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.537 9.414 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.549 8.218 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.279 7.467 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.069 6.542 -2.787 1.00 0.00 H new ATOM 615 N HIS A 44 -3.035 6.514 0.625 1.00 0.00 N ATOM 616 CA HIS A 44 -2.114 6.649 1.744 1.00 0.00 C ATOM 617 C HIS A 44 -0.714 6.261 1.281 1.00 0.00 C ATOM 618 O HIS A 44 -0.557 5.616 0.247 1.00 0.00 O ATOM 619 CB HIS A 44 -2.518 5.727 2.893 1.00 0.00 C ATOM 620 CG HIS A 44 -3.664 6.241 3.719 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.616 7.261 4.640 1.00 0.00 N ATOM 622 CD2 HIS A 44 -4.950 5.777 3.695 1.00 0.00 C ATOM 623 CE1 HIS A 44 -4.846 7.398 5.162 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.701 6.515 4.615 1.00 0.00 N ATOM 0 H HIS A 44 -2.732 5.829 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.137 7.682 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.787 4.752 2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.656 5.574 3.542 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.322 4.977 3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.113 8.120 5.919 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.693 6.406 4.828 1.00 0.00 H new ATOM 632 N PHE A 45 0.303 6.658 2.050 1.00 0.00 N ATOM 633 CA PHE A 45 1.695 6.351 1.764 1.00 0.00 C ATOM 634 C PHE A 45 2.459 6.209 3.080 1.00 0.00 C ATOM 635 O PHE A 45 1.957 6.607 4.131 1.00 0.00 O ATOM 636 CB PHE A 45 2.291 7.477 0.918 1.00 0.00 C ATOM 637 CG PHE A 45 1.645 7.640 -0.441 1.00 0.00 C ATOM 638 CD1 PHE A 45 1.903 6.707 -1.457 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.789 8.723 -0.689 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.296 6.848 -2.712 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.189 8.868 -1.948 1.00 0.00 C ATOM 642 CZ PHE A 45 0.439 7.929 -2.958 1.00 0.00 C ATOM 0 H PHE A 45 0.174 7.209 2.899 1.00 0.00 H new ATOM 0 HA PHE A 45 1.769 5.415 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.200 8.415 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.356 7.289 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.571 5.879 -1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.592 9.445 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.489 6.124 -3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.467 9.704 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.029 8.039 -3.925 1.00 0.00 H new ATOM 652 N ILE A 46 3.670 5.644 3.032 1.00 0.00 N ATOM 653 CA ILE A 46 4.467 5.422 4.233 1.00 0.00 C ATOM 654 C ILE A 46 5.900 5.882 3.975 1.00 0.00 C ATOM 655 O ILE A 46 6.500 5.510 2.969 1.00 0.00 O ATOM 656 CB ILE A 46 4.419 3.941 4.619 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.968 3.447 4.569 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.994 3.751 6.026 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.886 1.963 4.888 1.00 0.00 C ATOM 0 H ILE A 46 4.117 5.333 2.169 1.00 0.00 H new ATOM 0 HA ILE A 46 4.062 5.999 5.064 1.00 0.00 H new ATOM 0 HB ILE A 46 5.018 3.363 3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.364 4.009 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.551 3.633 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.957 2.695 6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.028 4.094 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.406 4.328 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.846 1.639 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.471 1.401 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.282 1.783 5.888 1.00 0.00 H new ATOM 826 N ALA A 57 2.674 1.441 0.932 1.00 0.00 N ATOM 827 CA ALA A 57 1.557 2.369 0.927 1.00 0.00 C ATOM 828 C ALA A 57 0.240 1.589 1.014 1.00 0.00 C ATOM 829 O ALA A 57 0.247 0.361 1.089 1.00 0.00 O ATOM 830 CB ALA A 57 1.621 3.172 -0.374 1.00 0.00 C ATOM 0 HA ALA A 57 1.609 3.043 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.792 3.879 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.564 3.716 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.552 2.493 -1.224 1.00 0.00 H new ATOM 836 N PHE A 58 -0.892 2.300 1.004 1.00 0.00 N ATOM 837 CA PHE A 58 -2.213 1.678 1.023 1.00 0.00 C ATOM 838 C PHE A 58 -3.181 2.442 0.124 1.00 0.00 C ATOM 839 O PHE A 58 -2.931 3.588 -0.248 1.00 0.00 O ATOM 840 CB PHE A 58 -2.789 1.676 2.439 1.00 0.00 C ATOM 841 CG PHE A 58 -1.990 0.937 3.481 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.057 -0.460 3.590 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.181 1.671 4.351 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.329 -1.118 4.592 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.468 1.014 5.357 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.536 -0.380 5.483 1.00 0.00 C ATOM 0 H PHE A 58 -0.915 3.320 0.983 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.095 0.655 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.903 2.710 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.788 1.242 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.668 -1.028 2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.107 2.743 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.379 -2.193 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.140 1.585 6.043 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.019 -0.883 6.261 1.00 0.00 H new ATOM 856 N VAL A 59 -4.294 1.790 -0.219 1.00 0.00 N ATOM 857 CA VAL A 59 -5.359 2.380 -1.017 1.00 0.00 C ATOM 858 C VAL A 59 -6.700 1.823 -0.553 1.00 0.00 C ATOM 859 O VAL A 59 -6.956 0.626 -0.687 1.00 0.00 O ATOM 860 CB VAL A 59 -5.159 2.045 -2.500 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.221 2.752 -3.342 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.787 2.484 -3.007 1.00 0.00 C ATOM 0 H VAL A 59 -4.479 0.825 0.056 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.340 3.463 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.241 0.962 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.072 2.509 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.212 2.422 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.137 3.830 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.689 2.227 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.682 3.562 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.009 1.977 -2.436 1.00 0.00 H new ATOM 872 N GLU A 60 -7.564 2.681 -0.005 1.00 0.00 N ATOM 873 CA GLU A 60 -8.916 2.277 0.348 1.00 0.00 C ATOM 874 C GLU A 60 -9.759 2.214 -0.921 1.00 0.00 C ATOM 875 O GLU A 60 -9.512 2.971 -1.860 1.00 0.00 O ATOM 876 CB GLU A 60 -9.536 3.285 1.318 1.00 0.00 C ATOM 877 CG GLU A 60 -8.756 3.361 2.630 1.00 0.00 C ATOM 878 CD GLU A 60 -9.479 4.264 3.626 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.297 5.498 3.530 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.211 3.712 4.479 1.00 0.00 O ATOM 0 H GLU A 60 -7.347 3.656 0.201 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.885 1.300 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.561 4.270 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.569 3.004 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.642 2.362 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.753 3.745 2.443 1.00 0.00 H new ATOM 887 N LEU A 61 -10.752 1.320 -0.960 1.00 0.00 N ATOM 888 CA LEU A 61 -11.603 1.189 -2.135 1.00 0.00 C ATOM 889 C LEU A 61 -13.076 1.315 -1.755 1.00 0.00 C ATOM 890 O LEU A 61 -13.406 1.634 -0.612 1.00 0.00 O ATOM 891 CB LEU A 61 -11.358 -0.157 -2.816 1.00 0.00 C ATOM 892 CG LEU A 61 -9.875 -0.544 -2.899 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.771 -2.027 -3.211 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.167 0.221 -4.013 1.00 0.00 C ATOM 0 H LEU A 61 -10.981 0.684 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.353 1.993 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.897 -0.933 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.773 -0.126 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.406 -0.303 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.721 -2.313 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.258 -2.600 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.260 -2.234 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.118 -0.074 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.640 -0.007 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.236 1.292 -3.820 1.00 0.00 H new ATOM 906 N GLY A 62 -13.966 1.066 -2.718 1.00 0.00 N ATOM 907 CA GLY A 62 -15.389 1.284 -2.531 1.00 0.00 C ATOM 908 C GLY A 62 -16.190 -0.001 -2.318 1.00 0.00 C ATOM 909 O GLY A 62 -17.274 0.058 -1.741 1.00 0.00 O ATOM 0 H GLY A 62 -13.716 0.710 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.536 1.939 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.784 1.807 -3.402 1.00 0.00 H new ATOM 913 N SER A 63 -15.684 -1.155 -2.767 1.00 0.00 N ATOM 914 CA SER A 63 -16.398 -2.411 -2.578 1.00 0.00 C ATOM 915 C SER A 63 -15.469 -3.613 -2.678 1.00 0.00 C ATOM 916 O SER A 63 -14.292 -3.481 -3.011 1.00 0.00 O ATOM 917 CB SER A 63 -17.483 -2.550 -3.648 1.00 0.00 C ATOM 918 OG SER A 63 -18.441 -3.503 -3.241 1.00 0.00 O ATOM 0 H SER A 63 -14.794 -1.240 -3.257 1.00 0.00 H new ATOM 0 HA SER A 63 -16.835 -2.391 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.965 -1.587 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.036 -2.853 -4.595 1.00 0.00 H new ATOM 0 HG SER A 63 -19.133 -3.586 -3.930 1.00 0.00 H new ATOM 924 N GLU A 64 -16.018 -4.794 -2.384 1.00 0.00 N ATOM 925 CA GLU A 64 -15.326 -6.064 -2.516 1.00 0.00 C ATOM 926 C GLU A 64 -14.882 -6.284 -3.960 1.00 0.00 C ATOM 927 O GLU A 64 -13.874 -6.942 -4.210 1.00 0.00 O ATOM 928 CB GLU A 64 -16.301 -7.164 -2.101 1.00 0.00 C ATOM 929 CG GLU A 64 -15.719 -8.557 -2.339 1.00 0.00 C ATOM 930 CD GLU A 64 -16.675 -9.637 -1.840 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.535 -10.065 -2.642 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.540 -10.029 -0.659 1.00 0.00 O ATOM 0 H GLU A 64 -16.974 -4.889 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.436 -6.075 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.551 -7.050 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.230 -7.057 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.527 -8.699 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.761 -8.648 -1.827 1.00 0.00 H new ATOM 939 N ASP A 65 -15.627 -5.739 -4.923 1.00 0.00 N ATOM 940 CA ASP A 65 -15.285 -5.923 -6.320 1.00 0.00 C ATOM 941 C ASP A 65 -14.001 -5.170 -6.663 1.00 0.00 C ATOM 942 O ASP A 65 -13.251 -5.592 -7.541 1.00 0.00 O ATOM 943 CB ASP A 65 -16.450 -5.430 -7.179 1.00 0.00 C ATOM 944 CG ASP A 65 -16.236 -5.739 -8.659 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.032 -6.932 -8.977 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.277 -4.779 -9.460 1.00 0.00 O ATOM 0 H ASP A 65 -16.460 -5.174 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.109 -6.980 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.374 -5.898 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.570 -4.355 -7.046 1.00 0.00 H new ATOM 951 N ASP A 66 -13.740 -4.054 -5.976 1.00 0.00 N ATOM 952 CA ASP A 66 -12.551 -3.257 -6.222 1.00 0.00 C ATOM 953 C ASP A 66 -11.321 -3.929 -5.620 1.00 0.00 C ATOM 954 O ASP A 66 -10.248 -3.882 -6.219 1.00 0.00 O ATOM 955 CB ASP A 66 -12.741 -1.876 -5.599 1.00 0.00 C ATOM 956 CG ASP A 66 -13.906 -1.120 -6.231 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.963 -1.081 -7.479 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.727 -0.587 -5.452 1.00 0.00 O ATOM 0 H ASP A 66 -14.345 -3.686 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.400 -3.163 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.916 -1.982 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.826 -1.296 -5.717 1.00 0.00 H new ATOM 963 N VAL A 67 -11.459 -4.552 -4.444 1.00 0.00 N ATOM 964 CA VAL A 67 -10.325 -5.212 -3.815 1.00 0.00 C ATOM 965 C VAL A 67 -9.957 -6.458 -4.606 1.00 0.00 C ATOM 966 O VAL A 67 -8.775 -6.749 -4.762 1.00 0.00 O ATOM 967 CB VAL A 67 -10.594 -5.509 -2.332 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.000 -6.016 -2.053 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.605 -6.526 -1.768 1.00 0.00 C ATOM 0 H VAL A 67 -12.333 -4.609 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.467 -4.539 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.472 -4.545 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.114 -6.203 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.726 -5.267 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.169 -6.941 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.830 -6.708 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.687 -7.460 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.591 -6.137 -1.860 1.00 0.00 H new ATOM 979 N LYS A 68 -10.945 -7.200 -5.110 1.00 0.00 N ATOM 980 CA LYS A 68 -10.660 -8.347 -5.951 1.00 0.00 C ATOM 981 C LYS A 68 -9.900 -7.905 -7.199 1.00 0.00 C ATOM 982 O LYS A 68 -8.889 -8.513 -7.547 1.00 0.00 O ATOM 983 CB LYS A 68 -11.976 -9.027 -6.319 1.00 0.00 C ATOM 984 CG LYS A 68 -12.526 -9.788 -5.114 1.00 0.00 C ATOM 985 CD LYS A 68 -13.883 -10.394 -5.475 1.00 0.00 C ATOM 986 CE LYS A 68 -14.436 -11.214 -4.312 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.610 -12.407 -4.044 1.00 0.00 N ATOM 0 H LYS A 68 -11.937 -7.024 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.032 -9.058 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.700 -8.282 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.820 -9.712 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.831 -10.574 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.630 -9.116 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.584 -9.600 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.781 -11.027 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.480 -10.593 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.457 -11.521 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.124 -13.049 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.406 -12.896 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.717 -12.118 -3.596 1.00 0.00 H new ATOM 1001 N MET A 69 -10.377 -6.854 -7.873 1.00 0.00 N ATOM 1002 CA MET A 69 -9.746 -6.355 -9.087 1.00 0.00 C ATOM 1003 C MET A 69 -8.336 -5.833 -8.820 1.00 0.00 C ATOM 1004 O MET A 69 -7.492 -5.859 -9.712 1.00 0.00 O ATOM 1005 CB MET A 69 -10.603 -5.244 -9.692 1.00 0.00 C ATOM 1006 CG MET A 69 -11.796 -5.841 -10.439 1.00 0.00 C ATOM 1007 SD MET A 69 -12.706 -4.664 -11.474 1.00 0.00 S ATOM 1008 CE MET A 69 -13.149 -3.421 -10.235 1.00 0.00 C ATOM 0 H MET A 69 -11.206 -6.332 -7.590 1.00 0.00 H new ATOM 0 HA MET A 69 -9.665 -7.186 -9.788 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.955 -4.577 -8.905 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.002 -4.643 -10.374 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.442 -6.659 -11.067 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.484 -6.272 -9.712 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.861 -2.717 -10.665 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.599 -3.912 -9.372 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.253 -2.885 -9.921 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.067 -5.359 -7.601 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.746 -4.865 -7.252 1.00 0.00 C ATOM 1020 C ALA A 70 -5.756 -6.011 -7.036 1.00 0.00 C ATOM 1021 O ALA A 70 -4.560 -5.841 -7.261 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.863 -4.007 -5.994 1.00 0.00 C ATOM 0 H ALA A 70 -8.750 -5.310 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.361 -4.265 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.879 -3.628 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.533 -3.169 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.261 -4.610 -5.178 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.239 -7.176 -6.602 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.396 -8.339 -6.373 1.00 0.00 C ATOM 1030 C LEU A 71 -5.070 -9.070 -7.677 1.00 0.00 C ATOM 1031 O LEU A 71 -4.190 -9.927 -7.697 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.113 -9.262 -5.388 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.310 -8.548 -4.047 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.250 -9.356 -3.161 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.977 -8.342 -3.337 1.00 0.00 C ATOM 0 H LEU A 71 -7.226 -7.335 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.442 -8.017 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.079 -9.561 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.532 -10.173 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.749 -7.570 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.385 -8.842 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.215 -9.462 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.823 -10.343 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.145 -7.833 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.510 -9.309 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.321 -7.736 -3.962 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.769 -8.740 -8.769 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.508 -9.342 -10.077 1.00 0.00 C ATOM 1049 C LYS A 72 -4.180 -8.913 -10.701 1.00 0.00 C ATOM 1050 O LYS A 72 -3.768 -9.503 -11.698 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.624 -8.987 -11.060 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.002 -9.451 -10.586 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.044 -10.956 -10.314 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.397 -11.312 -9.705 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.519 -12.769 -9.493 1.00 0.00 N ATOM 0 H LYS A 72 -6.524 -8.054 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.462 -10.416 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.641 -7.907 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.407 -9.439 -12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.272 -8.912 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.747 -9.199 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.890 -11.511 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.239 -11.239 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.520 -10.792 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.196 -10.969 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.448 -12.983 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.425 -13.261 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.770 -13.090 -8.847 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.505 -7.903 -10.140 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.237 -7.420 -10.674 1.00 0.00 C ATOM 1071 C LYS A 73 -1.206 -7.268 -9.560 1.00 0.00 C ATOM 1072 O LYS A 73 -0.345 -6.390 -9.599 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.432 -6.141 -11.485 1.00 0.00 C ATOM 1074 CG LYS A 73 -2.857 -4.958 -10.626 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.369 -4.884 -10.466 1.00 0.00 C ATOM 1076 CE LYS A 73 -4.699 -3.561 -9.798 1.00 0.00 C ATOM 1077 NZ LYS A 73 -4.020 -3.440 -8.495 1.00 0.00 N ATOM 0 H LYS A 73 -3.824 -7.404 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.843 -8.163 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.502 -5.896 -11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.185 -6.315 -12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.392 -5.038 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.494 -4.034 -11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.860 -4.955 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.731 -5.717 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.398 -2.738 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.777 -3.479 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.639 -2.940 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.806 -4.388 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.135 -2.906 -8.613 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.318 -8.146 -8.565 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.553 -8.126 -7.329 1.00 0.00 C ATOM 1093 C ASP A 74 0.972 -8.045 -7.452 1.00 0.00 C ATOM 1094 O ASP A 74 1.628 -7.885 -6.425 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.946 -9.343 -6.501 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.400 -10.634 -7.104 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.047 -11.158 -8.038 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.663 -11.087 -6.624 1.00 0.00 O ATOM 0 H ASP A 74 -1.976 -8.925 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.815 -7.183 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.570 -9.229 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.032 -9.403 -6.435 1.00 0.00 H new ATOM 1103 N ARG A 75 1.554 -8.145 -8.652 1.00 0.00 N ATOM 1104 CA ARG A 75 2.993 -7.954 -8.834 1.00 0.00 C ATOM 1105 C ARG A 75 3.357 -7.606 -10.278 1.00 0.00 C ATOM 1106 O ARG A 75 4.459 -7.913 -10.731 1.00 0.00 O ATOM 1107 CB ARG A 75 3.786 -9.147 -8.301 1.00 0.00 C ATOM 1108 CG ARG A 75 3.345 -10.482 -8.890 1.00 0.00 C ATOM 1109 CD ARG A 75 4.125 -11.571 -8.164 1.00 0.00 C ATOM 1110 NE ARG A 75 3.922 -12.890 -8.772 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.837 -13.655 -8.613 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.804 -13.254 -7.874 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.781 -14.847 -9.203 1.00 0.00 N ATOM 0 H ARG A 75 1.048 -8.358 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 75 3.280 -7.088 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.844 -8.996 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.684 -9.186 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.272 -10.625 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.544 -10.515 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.187 -11.326 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.817 -11.602 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 75 4.669 -13.253 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.829 -12.344 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.988 -13.857 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.563 -15.172 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.956 -15.436 -9.086 1.00 0.00 H new ATOM 1127 N GLU A 76 2.437 -6.965 -11.006 1.00 0.00 N ATOM 1128 CA GLU A 76 2.683 -6.527 -12.376 1.00 0.00 C ATOM 1129 C GLU A 76 3.626 -5.322 -12.414 1.00 0.00 C ATOM 1130 O GLU A 76 4.408 -5.091 -11.493 1.00 0.00 O ATOM 1131 CB GLU A 76 1.370 -6.176 -13.077 1.00 0.00 C ATOM 1132 CG GLU A 76 0.377 -7.324 -12.996 1.00 0.00 C ATOM 1133 CD GLU A 76 0.996 -8.666 -13.386 1.00 0.00 C ATOM 1134 OE1 GLU A 76 1.415 -8.790 -14.559 1.00 0.00 O ATOM 1135 OE2 GLU A 76 1.045 -9.556 -12.507 1.00 0.00 O ATOM 0 H GLU A 76 1.505 -6.738 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 76 3.158 -7.355 -12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.938 -5.286 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.566 -5.935 -14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.014 -7.390 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.469 -7.114 -13.651 1.00 0.00 H new ATOM 1142 N SER A 77 3.539 -4.553 -13.502 1.00 0.00 N ATOM 1143 CA SER A 77 4.367 -3.379 -13.731 1.00 0.00 C ATOM 1144 C SER A 77 3.535 -2.259 -14.346 1.00 0.00 C ATOM 1145 O SER A 77 2.674 -2.511 -15.188 1.00 0.00 O ATOM 1146 CB SER A 77 5.518 -3.752 -14.666 1.00 0.00 C ATOM 1147 OG SER A 77 6.275 -2.602 -14.984 1.00 0.00 O ATOM 0 H SER A 77 2.879 -4.736 -14.258 1.00 0.00 H new ATOM 0 HA SER A 77 4.769 -3.028 -12.780 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.156 -4.497 -14.191 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.125 -4.202 -15.578 1.00 0.00 H new ATOM 0 HG SER A 77 6.575 -2.169 -14.158 1.00 0.00 H new ATOM 1153 N MET A 78 3.793 -1.017 -13.924 1.00 0.00 N ATOM 1154 CA MET A 78 3.158 0.156 -14.513 1.00 0.00 C ATOM 1155 C MET A 78 3.704 0.399 -15.918 1.00 0.00 C ATOM 1156 O MET A 78 3.135 1.186 -16.674 1.00 0.00 O ATOM 1157 CB MET A 78 3.429 1.386 -13.643 1.00 0.00 C ATOM 1158 CG MET A 78 2.574 1.379 -12.377 1.00 0.00 C ATOM 1159 SD MET A 78 2.965 2.740 -11.246 1.00 0.00 S ATOM 1160 CE MET A 78 1.615 2.549 -10.055 1.00 0.00 C ATOM 0 H MET A 78 4.444 -0.802 -13.169 1.00 0.00 H new ATOM 0 HA MET A 78 2.084 -0.019 -14.571 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.484 1.414 -13.370 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.224 2.290 -14.216 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.522 1.438 -12.656 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.713 0.431 -11.857 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.951 2.872 -9.070 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.766 3.158 -10.366 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.314 1.502 -10.011 1.00 0.00 H new ATOM 1170 N GLY A 79 4.803 -0.275 -16.269 1.00 0.00 N ATOM 1171 CA GLY A 79 5.439 -0.146 -17.570 1.00 0.00 C ATOM 1172 C GLY A 79 6.941 0.099 -17.441 1.00 0.00 C ATOM 1173 O GLY A 79 7.647 0.096 -18.447 1.00 0.00 O ATOM 0 H GLY A 79 5.276 -0.931 -15.647 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.266 -1.052 -18.151 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.982 0.677 -18.119 1.00 0.00 H new ATOM 1177 N HIS A 80 7.436 0.313 -16.215 1.00 0.00 N ATOM 1178 CA HIS A 80 8.845 0.613 -16.003 1.00 0.00 C ATOM 1179 C HIS A 80 9.364 0.166 -14.631 1.00 0.00 C ATOM 1180 O HIS A 80 10.570 0.240 -14.394 1.00 0.00 O ATOM 1181 CB HIS A 80 9.044 2.120 -16.182 1.00 0.00 C ATOM 1182 CG HIS A 80 10.490 2.537 -16.188 1.00 0.00 C ATOM 1183 ND1 HIS A 80 11.059 3.531 -15.424 1.00 0.00 N ATOM 1184 CD2 HIS A 80 11.485 1.999 -16.958 1.00 0.00 C ATOM 1185 CE1 HIS A 80 12.368 3.584 -15.731 1.00 0.00 C ATOM 1186 NE2 HIS A 80 12.679 2.668 -16.666 1.00 0.00 N ATOM 0 H HIS A 80 6.878 0.283 -15.362 1.00 0.00 H new ATOM 0 HA HIS A 80 9.423 0.049 -16.735 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.580 2.431 -17.118 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.526 2.645 -15.380 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.369 1.195 -17.670 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.074 4.270 -15.287 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.596 2.496 -17.077 1.00 0.00 H new ATOM 1194 N ARG A 81 8.498 -0.294 -13.717 1.00 0.00 N ATOM 1195 CA ARG A 81 8.961 -0.730 -12.404 1.00 0.00 C ATOM 1196 C ARG A 81 8.026 -1.761 -11.773 1.00 0.00 C ATOM 1197 O ARG A 81 6.841 -1.828 -12.089 1.00 0.00 O ATOM 1198 CB ARG A 81 9.115 0.498 -11.491 1.00 0.00 C ATOM 1199 CG ARG A 81 9.777 0.172 -10.143 1.00 0.00 C ATOM 1200 CD ARG A 81 11.185 -0.396 -10.334 1.00 0.00 C ATOM 1201 NE ARG A 81 11.730 -0.934 -9.082 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.020 -1.242 -8.911 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.902 -1.041 -9.888 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.439 -1.757 -7.758 1.00 0.00 N ATOM 0 H ARG A 81 7.492 -0.371 -13.864 1.00 0.00 H new ATOM 0 HA ARG A 81 9.926 -1.222 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.708 1.253 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.132 0.933 -11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.827 1.074 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.164 -0.547 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.160 -1.183 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.844 0.386 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 81 11.091 -1.081 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.596 -0.648 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.883 -1.280 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.775 -1.918 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.424 -1.991 -7.632 1.00 0.00 H new ATOM 1218 N TYR A 82 8.600 -2.560 -10.870 1.00 0.00 N ATOM 1219 CA TYR A 82 7.949 -3.609 -10.103 1.00 0.00 C ATOM 1220 C TYR A 82 6.968 -2.988 -9.113 1.00 0.00 C ATOM 1221 O TYR A 82 7.301 -2.054 -8.381 1.00 0.00 O ATOM 1222 CB TYR A 82 9.102 -4.364 -9.432 1.00 0.00 C ATOM 1223 CG TYR A 82 8.859 -5.534 -8.497 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.617 -6.178 -8.331 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.973 -5.979 -7.771 1.00 0.00 C ATOM 1226 CE1 TYR A 82 7.507 -7.258 -7.439 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.871 -7.050 -6.878 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.633 -7.702 -6.714 1.00 0.00 C ATOM 1229 OH TYR A 82 8.530 -8.755 -5.855 1.00 0.00 O ATOM 0 H TYR A 82 9.592 -2.482 -10.646 1.00 0.00 H new ATOM 0 HA TYR A 82 7.350 -4.293 -10.704 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.747 -4.729 -10.232 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.676 -3.627 -8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.754 -5.843 -8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.925 -5.487 -7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.555 -7.751 -7.308 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.735 -7.375 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 82 7.886 -8.539 -5.148 1.00 0.00 H new ATOM 1239 N ILE A 83 5.748 -3.528 -9.106 1.00 0.00 N ATOM 1240 CA ILE A 83 4.668 -3.071 -8.249 1.00 0.00 C ATOM 1241 C ILE A 83 4.214 -4.254 -7.405 1.00 0.00 C ATOM 1242 O ILE A 83 4.586 -5.390 -7.690 1.00 0.00 O ATOM 1243 CB ILE A 83 3.478 -2.569 -9.089 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.890 -1.872 -10.393 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.596 -1.636 -8.252 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.607 -0.541 -10.185 1.00 0.00 C ATOM 0 H ILE A 83 5.485 -4.308 -9.708 1.00 0.00 H new ATOM 0 HA ILE A 83 5.019 -2.249 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 83 2.917 -3.457 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.540 -2.539 -10.960 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.000 -1.703 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.758 -1.288 -8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.217 -2.175 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.184 -0.780 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.865 -0.112 -11.153 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.953 0.145 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.516 -0.704 -9.606 1.00 0.00 H new ATOM 1258 N GLU A 84 3.415 -4.005 -6.370 1.00 0.00 N ATOM 1259 CA GLU A 84 2.820 -5.072 -5.584 1.00 0.00 C ATOM 1260 C GLU A 84 1.478 -4.616 -5.019 1.00 0.00 C ATOM 1261 O GLU A 84 1.284 -3.428 -4.775 1.00 0.00 O ATOM 1262 CB GLU A 84 3.760 -5.454 -4.445 1.00 0.00 C ATOM 1263 CG GLU A 84 4.584 -6.689 -4.808 1.00 0.00 C ATOM 1264 CD GLU A 84 5.346 -7.228 -3.598 1.00 0.00 C ATOM 1265 OE1 GLU A 84 4.809 -7.133 -2.472 1.00 0.00 O ATOM 1266 OE2 GLU A 84 6.467 -7.736 -3.819 1.00 0.00 O ATOM 0 H GLU A 84 3.166 -3.066 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 84 2.658 -5.940 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.426 -4.620 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.182 -5.650 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.926 -7.465 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.289 -6.438 -5.601 1.00 0.00 H new ATOM 1273 N VAL A 85 0.554 -5.561 -4.813 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.771 -5.265 -4.285 1.00 0.00 C ATOM 1275 C VAL A 85 -1.261 -6.430 -3.442 1.00 0.00 C ATOM 1276 O VAL A 85 -1.396 -7.543 -3.944 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.790 -5.052 -5.406 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.992 -4.294 -4.849 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.187 -4.273 -6.565 1.00 0.00 C ATOM 0 H VAL A 85 0.709 -6.550 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.684 -4.354 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.098 -6.027 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.723 -4.138 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.447 -4.873 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.666 -3.329 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.938 -4.140 -7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.852 -3.297 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.338 -4.823 -6.970 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.527 -6.177 -2.164 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.918 -7.222 -1.228 1.00 0.00 C ATOM 1291 C PHE A 86 -3.204 -6.794 -0.528 1.00 0.00 C ATOM 1292 O PHE A 86 -3.523 -5.609 -0.490 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.762 -7.468 -0.252 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.856 -8.725 0.586 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.562 -8.694 1.793 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -0.240 -9.919 0.174 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.664 -9.844 2.585 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -0.356 -11.075 0.954 1.00 0.00 C ATOM 1299 CZ PHE A 86 -1.066 -11.039 2.163 1.00 0.00 C ATOM 0 H PHE A 86 -1.477 -5.246 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.120 -8.164 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.167 -7.504 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.691 -6.612 0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.032 -7.777 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.324 -9.944 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.203 -9.810 3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.102 -11.996 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.152 -11.930 2.767 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.955 -7.745 0.028 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.249 -7.446 0.611 1.00 0.00 C ATOM 1311 C LYS A 87 -5.088 -6.789 1.981 1.00 0.00 C ATOM 1312 O LYS A 87 -4.105 -7.030 2.679 1.00 0.00 O ATOM 1313 CB LYS A 87 -6.052 -8.743 0.671 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.541 -8.439 0.787 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.347 -9.737 0.753 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.842 -9.413 0.734 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.656 -10.644 0.756 1.00 0.00 N ATOM 0 H LYS A 87 -3.683 -8.727 0.084 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.791 -6.727 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.864 -9.337 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.728 -9.340 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.739 -7.903 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.852 -7.788 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.080 -10.320 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.108 -10.348 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.093 -8.793 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.080 -8.833 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.665 -10.393 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.432 -11.223 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.445 -11.184 1.619 1.00 0.00 H new ATOM 1331 N SER A 88 -6.051 -5.957 2.373 1.00 0.00 N ATOM 1332 CA SER A 88 -5.982 -5.220 3.631 1.00 0.00 C ATOM 1333 C SER A 88 -7.355 -5.106 4.295 1.00 0.00 C ATOM 1334 O SER A 88 -8.354 -5.593 3.767 1.00 0.00 O ATOM 1335 CB SER A 88 -5.372 -3.842 3.376 1.00 0.00 C ATOM 1336 OG SER A 88 -5.111 -3.185 4.600 1.00 0.00 O ATOM 0 H SER A 88 -6.896 -5.776 1.831 1.00 0.00 H new ATOM 0 HA SER A 88 -5.345 -5.770 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.448 -3.946 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.052 -3.242 2.772 1.00 0.00 H new ATOM 0 HG SER A 88 -4.719 -2.305 4.422 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.398 -4.458 5.463 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.583 -4.427 6.311 1.00 0.00 C ATOM 1344 C HIS A 89 -8.745 -3.130 7.107 1.00 0.00 C ATOM 1345 O HIS A 89 -9.810 -2.936 7.688 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.498 -5.616 7.272 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.121 -5.796 7.863 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.709 -5.419 9.121 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.042 -6.368 7.242 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.405 -5.732 9.234 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.953 -6.323 8.117 1.00 0.00 N ATOM 0 H HIS A 89 -6.606 -3.940 5.844 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.457 -4.484 5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.219 -5.477 8.078 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.783 -6.525 6.743 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.034 -6.783 6.245 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.802 -5.534 10.108 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.009 -6.668 7.943 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.716 -2.266 7.131 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.691 -0.913 7.709 1.00 0.00 C ATOM 1361 C ARG A 90 -6.957 -0.880 9.046 1.00 0.00 C ATOM 1362 O ARG A 90 -6.408 0.157 9.411 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.084 -0.300 7.912 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.822 -0.108 6.587 1.00 0.00 C ATOM 1365 CD ARG A 90 -11.292 0.224 6.836 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.990 -0.911 7.450 1.00 0.00 N ATOM 1367 CZ ARG A 90 -13.300 -0.936 7.706 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -14.073 0.106 7.404 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.848 -2.012 8.268 1.00 0.00 N ATOM 0 H ARG A 90 -6.817 -2.513 6.718 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.159 -0.314 6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.672 -0.945 8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.987 0.662 8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.354 0.694 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.745 -1.014 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.367 1.096 7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.774 0.486 5.894 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.439 -1.733 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.665 0.935 6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.073 0.075 7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.267 -2.817 8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.849 -2.031 8.464 1.00 0.00 H new ATOM 1383 N THR A 91 -6.936 -1.993 9.784 1.00 0.00 N ATOM 1384 CA THR A 91 -6.282 -2.025 11.086 1.00 0.00 C ATOM 1385 C THR A 91 -4.777 -1.859 10.926 1.00 0.00 C ATOM 1386 O THR A 91 -4.142 -1.148 11.702 1.00 0.00 O ATOM 1387 CB THR A 91 -6.575 -3.351 11.789 1.00 0.00 C ATOM 1388 OG1 THR A 91 -7.963 -3.604 11.789 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.061 -3.317 13.225 1.00 0.00 C ATOM 0 H THR A 91 -7.362 -2.876 9.501 1.00 0.00 H new ATOM 0 HA THR A 91 -6.671 -1.203 11.687 1.00 0.00 H new ATOM 0 HB THR A 91 -6.064 -4.148 11.249 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.140 -4.456 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.277 -4.268 13.712 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.984 -3.148 13.222 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.554 -2.511 13.769 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.203 -2.515 9.914 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.785 -2.377 9.625 1.00 0.00 C ATOM 1399 C GLU A 92 -2.512 -0.998 9.037 1.00 0.00 C ATOM 1400 O GLU A 92 -1.471 -0.406 9.308 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.371 -3.471 8.641 1.00 0.00 C ATOM 1402 CG GLU A 92 -0.851 -3.481 8.485 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.396 -4.589 7.539 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.480 -5.769 7.942 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.033 -4.249 6.414 1.00 0.00 O ATOM 0 H GLU A 92 -4.703 -3.144 9.286 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.205 -2.481 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.715 -4.442 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.844 -3.300 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.516 -2.516 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.384 -3.619 9.460 1.00 0.00 H new ATOM 1412 N MET A 93 -3.450 -0.491 8.234 1.00 0.00 N ATOM 1413 CA MET A 93 -3.309 0.804 7.592 1.00 0.00 C ATOM 1414 C MET A 93 -3.244 1.911 8.639 1.00 0.00 C ATOM 1415 O MET A 93 -2.487 2.864 8.484 1.00 0.00 O ATOM 1416 CB MET A 93 -4.504 1.018 6.665 1.00 0.00 C ATOM 1417 CG MET A 93 -4.389 2.340 5.907 1.00 0.00 C ATOM 1418 SD MET A 93 -5.853 2.739 4.922 1.00 0.00 S ATOM 1419 CE MET A 93 -7.017 3.074 6.269 1.00 0.00 C ATOM 0 H MET A 93 -4.324 -0.970 8.015 1.00 0.00 H new ATOM 0 HA MET A 93 -2.384 0.832 7.016 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.568 0.194 5.955 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.425 1.009 7.248 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.211 3.144 6.621 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.520 2.299 5.251 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.822 3.712 5.904 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.434 2.134 6.632 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.496 3.578 7.083 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.034 1.799 9.708 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.049 2.800 10.763 1.00 0.00 C ATOM 1431 C ASP A 94 -2.772 2.751 11.598 1.00 0.00 C ATOM 1432 O ASP A 94 -2.361 3.758 12.174 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.246 2.525 11.663 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.473 3.659 12.659 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.805 4.774 12.198 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.314 3.402 13.873 1.00 0.00 O ATOM 0 H ASP A 94 -4.673 1.019 9.862 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.116 3.789 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.139 2.393 11.052 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.089 1.592 12.203 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.148 1.573 11.663 1.00 0.00 N ATOM 1442 CA TRP A 95 -0.979 1.351 12.498 1.00 0.00 C ATOM 1443 C TRP A 95 0.307 1.903 11.887 1.00 0.00 C ATOM 1444 O TRP A 95 0.919 2.804 12.457 1.00 0.00 O ATOM 1445 CB TRP A 95 -0.826 -0.151 12.738 1.00 0.00 C ATOM 1446 CG TRP A 95 0.336 -0.516 13.606 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.411 -0.336 14.943 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.606 -1.124 13.220 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.634 -0.775 15.405 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.418 -1.264 14.380 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.154 -1.566 12.002 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.710 -1.798 14.332 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.452 -2.098 11.942 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.231 -2.215 13.102 1.00 0.00 C ATOM 0 H TRP A 95 -2.443 0.751 11.137 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.137 1.887 13.434 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.740 -0.530 13.195 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.719 -0.653 11.776 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.369 0.088 15.557 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.923 -0.742 16.383 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.567 -1.495 11.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.298 -1.887 15.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.854 -2.420 10.993 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.229 -2.625 13.046 1.00 0.00 H new ATOM 1465 N VAL A 96 0.729 1.375 10.734 1.00 0.00 N ATOM 1466 CA VAL A 96 2.018 1.733 10.149 1.00 0.00 C ATOM 1467 C VAL A 96 2.025 3.173 9.625 1.00 0.00 C ATOM 1468 O VAL A 96 3.097 3.742 9.423 1.00 0.00 O ATOM 1469 CB VAL A 96 2.394 0.702 9.080 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.384 0.737 7.950 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.805 0.937 8.545 1.00 0.00 C ATOM 0 H VAL A 96 0.194 0.698 10.190 1.00 0.00 H new ATOM 0 HA VAL A 96 2.785 1.707 10.923 1.00 0.00 H new ATOM 0 HB VAL A 96 2.380 -0.285 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.658 0.001 7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.393 0.504 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.373 1.731 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.037 0.187 7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.865 1.931 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.522 0.861 9.363 1.00 0.00 H new ATOM 1481 N LEU A 97 0.852 3.776 9.404 1.00 0.00 N ATOM 1482 CA LEU A 97 0.760 5.184 9.033 1.00 0.00 C ATOM 1483 C LEU A 97 1.243 6.083 10.179 1.00 0.00 C ATOM 1484 O LEU A 97 1.385 7.290 9.992 1.00 0.00 O ATOM 1485 CB LEU A 97 -0.694 5.535 8.688 1.00 0.00 C ATOM 1486 CG LEU A 97 -0.989 5.704 7.190 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.213 6.895 6.626 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.652 4.468 6.357 1.00 0.00 C ATOM 0 H LEU A 97 -0.049 3.304 9.477 1.00 0.00 H new ATOM 0 HA LEU A 97 1.397 5.352 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.343 4.754 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.959 6.460 9.201 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.064 5.868 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.432 7.002 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.509 7.803 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.856 6.730 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.886 4.660 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.410 4.241 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.239 3.620 6.710 1.00 0.00 H new ATOM 1500 N LYS A 98 1.497 5.505 11.361 1.00 0.00 N ATOM 1501 CA LYS A 98 1.905 6.235 12.552 1.00 0.00 C ATOM 1502 C LYS A 98 3.032 5.521 13.302 1.00 0.00 C ATOM 1503 O LYS A 98 3.377 5.919 14.413 1.00 0.00 O ATOM 1504 CB LYS A 98 0.690 6.397 13.461 1.00 0.00 C ATOM 1505 CG LYS A 98 -0.396 7.219 12.767 1.00 0.00 C ATOM 1506 CD LYS A 98 -1.499 7.528 13.771 1.00 0.00 C ATOM 1507 CE LYS A 98 -2.615 8.321 13.092 1.00 0.00 C ATOM 1508 NZ LYS A 98 -3.704 8.626 14.040 1.00 0.00 N ATOM 0 H LYS A 98 1.421 4.499 11.511 1.00 0.00 H new ATOM 0 HA LYS A 98 2.289 7.209 12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.296 5.417 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.986 6.886 14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.025 8.144 12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.802 6.667 11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.898 6.601 14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.093 8.098 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.211 9.249 12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.010 7.751 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.448 9.165 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.103 7.739 14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.329 9.190 14.830 1.00 0.00 H new