USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 54 CYS SG : rot 1:sc= 0.493 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.478 X(o=-0.14,f=-0.12) USER MOD Set 1.3: A 57 CYS SG : rot -54:sc= -0.337 USER MOD Set 1.4: A 75 CYS SG : rot -124:sc= -0.191 USER MOD Set 1.5: A 78 CYS SG : rot 82:sc= 0.374 USER MOD Set 2.1: A 28 CYS SG : rot 142:sc= 0.175 USER MOD Set 2.2: A 31 CYS SG : rot -119:sc= -0.909 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -1.61! C(o=-2.3!,f=-7.8!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 18 HIS : no HD1:sc= 0.133 K(o=0.13,f=-0.56) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 60:sc= 0.143 USER MOD Single : A 27 MET CE :methyl -134:sc= -6.22! (180deg=-8.17!) USER MOD Single : A 30 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1.5!) USER MOD Single : A 33 GLN : amide:sc= -0.0197 K(o=-0.02,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.111 (180deg=-0.576) USER MOD Single : A 46 SER OG : rot 150:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.08 K(o=-2.1,f=-5.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.348 F(o=-2.4,f=-0.35) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -130:sc= -0.45 (180deg=-2.87) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 122:sc= 0.461 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.291 5.745 7.128 1.00 0.00 N ATOM 122 CA LEU A 12 6.200 6.402 6.415 1.00 0.00 C ATOM 123 C LEU A 12 5.068 5.420 6.128 1.00 0.00 C ATOM 124 O LEU A 12 3.892 5.781 6.177 1.00 0.00 O ATOM 125 CB LEU A 12 6.711 7.007 5.107 1.00 0.00 C ATOM 126 CG LEU A 12 7.691 8.173 5.244 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.645 8.210 4.060 1.00 0.00 C ATOM 128 CD2 LEU A 12 6.939 9.490 5.368 1.00 0.00 C ATOM 0 HA LEU A 12 5.812 7.199 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.194 6.219 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.853 7.346 4.527 1.00 0.00 H new ATOM 0 HG LEU A 12 8.277 8.026 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.335 9.046 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.208 7.278 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.076 8.333 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.652 10.309 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.327 9.645 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.298 9.461 6.249 1.00 0.00 H new ATOM 140 N VAL A 13 5.432 4.177 5.829 1.00 0.00 N ATOM 141 CA VAL A 13 4.447 3.142 5.537 1.00 0.00 C ATOM 142 C VAL A 13 3.187 3.330 6.374 1.00 0.00 C ATOM 143 O VAL A 13 3.218 3.198 7.597 1.00 0.00 O ATOM 144 CB VAL A 13 5.018 1.735 5.797 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.933 0.681 5.640 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.186 1.453 4.864 1.00 0.00 C ATOM 0 H VAL A 13 6.401 3.862 5.783 1.00 0.00 H new ATOM 0 HA VAL A 13 4.194 3.234 4.481 1.00 0.00 H new ATOM 0 HB VAL A 13 5.384 1.695 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.355 -0.306 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.132 0.875 6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.533 0.718 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.577 0.455 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.848 1.512 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.971 2.190 5.031 1.00 0.00 H new ATOM 156 N GLN A 14 2.080 3.639 5.705 1.00 0.00 N ATOM 157 CA GLN A 14 0.809 3.845 6.388 1.00 0.00 C ATOM 158 C GLN A 14 -0.149 2.690 6.116 1.00 0.00 C ATOM 159 O GLN A 14 0.190 1.743 5.406 1.00 0.00 O ATOM 160 CB GLN A 14 0.176 5.165 5.944 1.00 0.00 C ATOM 161 CG GLN A 14 0.945 6.393 6.402 1.00 0.00 C ATOM 162 CD GLN A 14 0.137 7.670 6.272 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.940 7.798 6.854 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.655 8.623 5.506 1.00 0.00 N ATOM 0 H GLN A 14 2.038 3.752 4.692 1.00 0.00 H new ATOM 0 HA GLN A 14 1.003 3.886 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.104 5.176 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.842 5.219 6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.246 6.262 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.859 6.484 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.551 8.474 5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.157 9.504 5.381 1.00 0.00 H new ATOM 173 N ARG A 15 -1.348 2.776 6.684 1.00 0.00 N ATOM 174 CA ARG A 15 -2.355 1.737 6.503 1.00 0.00 C ATOM 175 C ARG A 15 -3.739 2.349 6.313 1.00 0.00 C ATOM 176 O ARG A 15 -4.256 3.027 7.201 1.00 0.00 O ATOM 177 CB ARG A 15 -2.364 0.791 7.706 1.00 0.00 C ATOM 178 CG ARG A 15 -1.217 -0.206 7.705 1.00 0.00 C ATOM 179 CD ARG A 15 -1.291 -1.141 8.902 1.00 0.00 C ATOM 180 NE ARG A 15 -1.312 -0.412 10.167 1.00 0.00 N ATOM 181 CZ ARG A 15 -2.426 0.023 10.746 1.00 0.00 C ATOM 182 NH1 ARG A 15 -3.603 -0.197 10.176 1.00 0.00 N ATOM 183 NH2 ARG A 15 -2.364 0.680 11.897 1.00 0.00 N ATOM 0 H ARG A 15 -1.645 3.554 7.273 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.101 1.171 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.321 1.381 8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.308 0.246 7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.241 -0.789 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.268 0.330 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.186 -1.758 8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.436 -1.817 8.887 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.423 -0.227 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.655 -0.701 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.457 0.138 10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.461 0.852 12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.220 1.014 12.341 1.00 0.00 H new ATOM 197 N ALA A 16 -4.334 2.106 5.150 1.00 0.00 N ATOM 198 CA ALA A 16 -5.659 2.631 4.844 1.00 0.00 C ATOM 199 C ALA A 16 -6.715 2.025 5.762 1.00 0.00 C ATOM 200 O ALA A 16 -6.871 0.806 5.822 1.00 0.00 O ATOM 201 CB ALA A 16 -6.008 2.367 3.387 1.00 0.00 C ATOM 0 H ALA A 16 -3.919 1.548 4.404 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.644 3.708 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.000 2.764 3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.275 2.854 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.999 1.293 3.199 1.00 0.00 H new ATOM 207 N GLU A 17 -7.438 2.884 6.474 1.00 0.00 N ATOM 208 CA GLU A 17 -8.478 2.431 7.389 1.00 0.00 C ATOM 209 C GLU A 17 -9.574 1.679 6.638 1.00 0.00 C ATOM 210 O GLU A 17 -10.359 2.276 5.902 1.00 0.00 O ATOM 211 CB GLU A 17 -9.083 3.620 8.138 1.00 0.00 C ATOM 212 CG GLU A 17 -9.638 3.259 9.506 1.00 0.00 C ATOM 213 CD GLU A 17 -9.640 4.435 10.463 1.00 0.00 C ATOM 214 OE1 GLU A 17 -8.635 5.175 10.497 1.00 0.00 O ATOM 215 OE2 GLU A 17 -10.647 4.615 11.179 1.00 0.00 O ATOM 0 H GLU A 17 -7.322 3.897 6.434 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.022 1.751 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.321 4.390 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.881 4.051 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.656 2.885 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.046 2.449 9.932 1.00 0.00 H new ATOM 222 N HIS A 18 -9.619 0.364 6.830 1.00 0.00 N ATOM 223 CA HIS A 18 -10.618 -0.470 6.172 1.00 0.00 C ATOM 224 C HIS A 18 -12.015 -0.170 6.705 1.00 0.00 C ATOM 225 O HIS A 18 -12.356 -0.549 7.826 1.00 0.00 O ATOM 226 CB HIS A 18 -10.290 -1.950 6.374 1.00 0.00 C ATOM 227 CG HIS A 18 -9.239 -2.464 5.437 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.522 -3.287 4.368 1.00 0.00 N ATOM 229 CD2 HIS A 18 -7.901 -2.265 5.414 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.402 -3.574 3.728 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.404 -2.966 4.342 1.00 0.00 N ATOM 0 H HIS A 18 -8.976 -0.146 7.435 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.599 -0.242 5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.956 -2.103 7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.200 -2.536 6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.330 -1.667 6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.318 -4.200 2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.423 -3.010 4.065 1.00 0.00 H new ATOM 240 N ILE A 19 -12.817 0.515 5.897 1.00 0.00 N ATOM 241 CA ILE A 19 -14.177 0.866 6.289 1.00 0.00 C ATOM 242 C ILE A 19 -15.186 -0.124 5.716 1.00 0.00 C ATOM 243 O ILE A 19 -15.245 -0.360 4.510 1.00 0.00 O ATOM 244 CB ILE A 19 -14.547 2.286 5.824 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.523 3.299 6.342 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.946 2.651 6.298 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.584 3.508 7.839 1.00 0.00 C ATOM 0 H ILE A 19 -12.549 0.838 4.967 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.212 0.828 7.378 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.535 2.310 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.522 2.963 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.685 4.254 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.193 3.658 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.666 1.944 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -15.983 2.613 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.831 4.238 8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.573 3.874 8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.392 2.563 8.346 1.00 0.00 H new ATOM 259 N PRO A 20 -16.002 -0.715 6.602 1.00 0.00 N ATOM 260 CA PRO A 20 -17.027 -1.687 6.208 1.00 0.00 C ATOM 261 C PRO A 20 -18.172 -1.040 5.436 1.00 0.00 C ATOM 262 O PRO A 20 -18.236 0.182 5.309 1.00 0.00 O ATOM 263 CB PRO A 20 -17.527 -2.237 7.546 1.00 0.00 C ATOM 264 CG PRO A 20 -17.246 -1.154 8.529 1.00 0.00 C ATOM 265 CD PRO A 20 -15.988 -0.480 8.055 1.00 0.00 C ATOM 0 HA PRO A 20 -16.630 -2.451 5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.591 -2.469 7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.010 -3.158 7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.074 -0.446 8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.116 -1.561 9.532 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.989 0.584 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.102 -0.909 8.523 1.00 0.00 H new ATOM 273 N ALA A 21 -19.075 -1.869 4.922 1.00 0.00 N ATOM 274 CA ALA A 21 -20.219 -1.378 4.164 1.00 0.00 C ATOM 275 C ALA A 21 -21.297 -0.828 5.093 1.00 0.00 C ATOM 276 O ALA A 21 -21.228 -0.999 6.309 1.00 0.00 O ATOM 277 CB ALA A 21 -20.788 -2.485 3.290 1.00 0.00 C ATOM 0 H ALA A 21 -19.036 -2.884 5.017 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.877 -0.565 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.642 -2.104 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.022 -2.830 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.108 -3.316 3.918 1.00 0.00 H new ATOM 283 N GLY A 22 -22.293 -0.167 4.510 1.00 0.00 N ATOM 284 CA GLY A 22 -23.370 0.398 5.301 1.00 0.00 C ATOM 285 C GLY A 22 -22.875 1.405 6.320 1.00 0.00 C ATOM 286 O GLY A 22 -23.427 1.515 7.415 1.00 0.00 O ATOM 0 H GLY A 22 -22.373 -0.013 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.089 0.880 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.899 -0.405 5.815 1.00 0.00 H new ATOM 290 N LYS A 23 -21.829 2.142 5.962 1.00 0.00 N ATOM 291 CA LYS A 23 -21.258 3.145 6.852 1.00 0.00 C ATOM 292 C LYS A 23 -21.173 4.502 6.160 1.00 0.00 C ATOM 293 O LYS A 23 -21.860 5.449 6.543 1.00 0.00 O ATOM 294 CB LYS A 23 -19.867 2.710 7.319 1.00 0.00 C ATOM 295 CG LYS A 23 -19.884 1.884 8.593 1.00 0.00 C ATOM 296 CD LYS A 23 -20.251 2.729 9.801 1.00 0.00 C ATOM 297 CE LYS A 23 -20.034 1.968 11.100 1.00 0.00 C ATOM 298 NZ LYS A 23 -21.016 0.861 11.265 1.00 0.00 N ATOM 0 H LYS A 23 -21.359 2.063 5.060 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.912 3.240 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.392 2.131 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.253 3.596 7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.598 1.067 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.904 1.432 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.650 3.639 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.294 3.036 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.023 1.562 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.117 2.655 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.835 0.367 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.980 1.251 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.920 0.191 10.475 1.00 0.00 H new ATOM 312 N ARG A 24 -20.326 4.588 5.139 1.00 0.00 N ATOM 313 CA ARG A 24 -20.152 5.829 4.394 1.00 0.00 C ATOM 314 C ARG A 24 -20.090 5.558 2.894 1.00 0.00 C ATOM 315 O ARG A 24 -19.510 4.564 2.454 1.00 0.00 O ATOM 316 CB ARG A 24 -18.878 6.546 4.846 1.00 0.00 C ATOM 317 CG ARG A 24 -18.926 8.053 4.654 1.00 0.00 C ATOM 318 CD ARG A 24 -17.579 8.695 4.944 1.00 0.00 C ATOM 319 NE ARG A 24 -17.710 10.104 5.305 1.00 0.00 N ATOM 320 CZ ARG A 24 -17.866 11.079 4.417 1.00 0.00 C ATOM 321 NH1 ARG A 24 -17.910 10.799 3.122 1.00 0.00 N ATOM 322 NH2 ARG A 24 -17.978 12.337 4.823 1.00 0.00 N ATOM 0 H ARG A 24 -19.750 3.813 4.809 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.012 6.468 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.703 6.328 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.029 6.145 4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.226 8.281 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.683 8.481 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.088 8.157 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.938 8.604 4.067 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.680 10.353 6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.824 9.833 2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.030 11.550 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.944 12.557 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.098 13.085 4.140 1.00 0.00 H new ATOM 336 N THR A 25 -20.692 6.448 2.111 1.00 0.00 N ATOM 337 CA THR A 25 -20.708 6.304 0.661 1.00 0.00 C ATOM 338 C THR A 25 -19.967 7.453 -0.013 1.00 0.00 C ATOM 339 O THR A 25 -20.537 8.224 -0.785 1.00 0.00 O ATOM 340 CB THR A 25 -22.148 6.248 0.117 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.885 7.392 0.563 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.849 4.978 0.573 1.00 0.00 C ATOM 0 H THR A 25 -21.175 7.277 2.458 1.00 0.00 H new ATOM 0 HA THR A 25 -20.204 5.365 0.431 1.00 0.00 H new ATOM 0 HB THR A 25 -22.102 6.248 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.453 8.208 0.235 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.864 4.960 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 25 -22.302 4.109 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.884 4.953 1.662 1.00 0.00 H new ATOM 350 N PRO A 26 -18.664 7.573 0.283 1.00 0.00 N ATOM 351 CA PRO A 26 -17.816 8.625 -0.286 1.00 0.00 C ATOM 352 C PRO A 26 -17.560 8.422 -1.775 1.00 0.00 C ATOM 353 O PRO A 26 -17.855 7.361 -2.325 1.00 0.00 O ATOM 354 CB PRO A 26 -16.512 8.495 0.505 1.00 0.00 C ATOM 355 CG PRO A 26 -16.484 7.077 0.960 1.00 0.00 C ATOM 356 CD PRO A 26 -17.918 6.690 1.195 1.00 0.00 C ATOM 0 HA PRO A 26 -18.280 9.608 -0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.647 8.728 -0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.492 9.182 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.024 6.435 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.897 6.971 1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.093 5.638 0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.211 6.845 2.233 1.00 0.00 H new ATOM 364 N MET A 27 -17.008 9.444 -2.421 1.00 0.00 N ATOM 365 CA MET A 27 -16.710 9.375 -3.847 1.00 0.00 C ATOM 366 C MET A 27 -15.248 9.010 -4.080 1.00 0.00 C ATOM 367 O MET A 27 -14.343 9.737 -3.670 1.00 0.00 O ATOM 368 CB MET A 27 -17.028 10.711 -4.521 1.00 0.00 C ATOM 369 CG MET A 27 -18.487 10.857 -4.923 1.00 0.00 C ATOM 370 SD MET A 27 -19.607 10.782 -3.513 1.00 0.00 S ATOM 371 CE MET A 27 -20.791 9.567 -4.086 1.00 0.00 C ATOM 0 H MET A 27 -16.758 10.329 -1.980 1.00 0.00 H new ATOM 0 HA MET A 27 -17.334 8.597 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.763 11.523 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.403 10.819 -5.407 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.624 11.806 -5.441 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.746 10.069 -5.630 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.802 9.922 -3.887 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.665 9.413 -5.158 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.628 8.625 -3.563 1.00 0.00 H new ATOM 381 N CYS A 28 -15.023 7.878 -4.740 1.00 0.00 N ATOM 382 CA CYS A 28 -13.671 7.415 -5.026 1.00 0.00 C ATOM 383 C CYS A 28 -12.800 8.562 -5.533 1.00 0.00 C ATOM 384 O CYS A 28 -13.303 9.627 -5.889 1.00 0.00 O ATOM 385 CB CYS A 28 -13.704 6.289 -6.062 1.00 0.00 C ATOM 386 SG CYS A 28 -12.146 5.355 -6.193 1.00 0.00 S ATOM 0 H CYS A 28 -15.761 7.265 -5.087 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.239 7.035 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.509 5.599 -5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.944 6.713 -7.037 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.409 4.095 -6.378 1.00 0.00 H new ATOM 391 N ALA A 29 -11.491 8.334 -5.562 1.00 0.00 N ATOM 392 CA ALA A 29 -10.550 9.346 -6.027 1.00 0.00 C ATOM 393 C ALA A 29 -10.073 9.043 -7.444 1.00 0.00 C ATOM 394 O ALA A 29 -9.781 9.953 -8.219 1.00 0.00 O ATOM 395 CB ALA A 29 -9.364 9.439 -5.078 1.00 0.00 C ATOM 0 H ALA A 29 -11.058 7.458 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.066 10.306 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.669 10.198 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.715 9.710 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.857 8.475 -5.034 1.00 0.00 H new ATOM 401 N HIS A 30 -9.996 7.758 -7.775 1.00 0.00 N ATOM 402 CA HIS A 30 -9.555 7.335 -9.099 1.00 0.00 C ATOM 403 C HIS A 30 -10.712 7.363 -10.093 1.00 0.00 C ATOM 404 O HIS A 30 -10.744 8.194 -11.001 1.00 0.00 O ATOM 405 CB HIS A 30 -8.956 5.929 -9.036 1.00 0.00 C ATOM 406 CG HIS A 30 -8.636 5.353 -10.381 1.00 0.00 C ATOM 407 ND1 HIS A 30 -7.436 5.567 -11.025 1.00 0.00 N ATOM 408 CD2 HIS A 30 -9.367 4.564 -11.203 1.00 0.00 C ATOM 409 CE1 HIS A 30 -7.443 4.937 -12.186 1.00 0.00 C ATOM 410 NE2 HIS A 30 -8.604 4.320 -12.318 1.00 0.00 N ATOM 0 H HIS A 30 -10.233 6.992 -7.145 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.790 8.033 -9.439 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.046 5.957 -8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.655 5.268 -8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.365 4.195 -11.016 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.637 4.928 -12.905 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.887 3.754 -13.118 1.00 0.00 H new ATOM 419 N CYS A 31 -11.661 6.450 -9.915 1.00 0.00 N ATOM 420 CA CYS A 31 -12.820 6.370 -10.796 1.00 0.00 C ATOM 421 C CYS A 31 -13.829 7.467 -10.470 1.00 0.00 C ATOM 422 O CYS A 31 -14.595 7.896 -11.331 1.00 0.00 O ATOM 423 CB CYS A 31 -13.485 4.997 -10.673 1.00 0.00 C ATOM 424 SG CYS A 31 -14.287 4.701 -9.064 1.00 0.00 S ATOM 0 H CYS A 31 -11.650 5.755 -9.168 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.477 6.511 -11.821 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.229 4.894 -11.462 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.734 4.225 -10.840 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.725 3.685 -8.479 1.00 0.00 H new ATOM 429 N ASN A 32 -13.821 7.918 -9.219 1.00 0.00 N ATOM 430 CA ASN A 32 -14.735 8.965 -8.779 1.00 0.00 C ATOM 431 C ASN A 32 -16.184 8.495 -8.866 1.00 0.00 C ATOM 432 O ASN A 32 -17.038 9.185 -9.422 1.00 0.00 O ATOM 433 CB ASN A 32 -14.545 10.226 -9.624 1.00 0.00 C ATOM 434 CG ASN A 32 -15.104 11.464 -8.951 1.00 0.00 C ATOM 435 OD1 ASN A 32 -15.230 11.515 -7.727 1.00 0.00 O ATOM 436 ND2 ASN A 32 -15.442 12.470 -9.749 1.00 0.00 N ATOM 0 H ASN A 32 -13.192 7.575 -8.493 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.508 9.196 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.483 10.371 -9.821 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.032 10.090 -10.589 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.823 13.329 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.320 12.384 -10.758 1.00 0.00 H new ATOM 443 N GLN A 33 -16.452 7.317 -8.313 1.00 0.00 N ATOM 444 CA GLN A 33 -17.797 6.754 -8.329 1.00 0.00 C ATOM 445 C GLN A 33 -18.266 6.423 -6.916 1.00 0.00 C ATOM 446 O GLN A 33 -17.517 5.856 -6.119 1.00 0.00 O ATOM 447 CB GLN A 33 -17.838 5.498 -9.200 1.00 0.00 C ATOM 448 CG GLN A 33 -17.386 5.735 -10.632 1.00 0.00 C ATOM 449 CD GLN A 33 -17.900 4.677 -11.588 1.00 0.00 C ATOM 450 OE1 GLN A 33 -18.489 3.680 -11.171 1.00 0.00 O ATOM 451 NE2 GLN A 33 -17.679 4.890 -12.880 1.00 0.00 N ATOM 0 H GLN A 33 -15.756 6.734 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.470 7.501 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.205 4.733 -8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.855 5.105 -9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.732 6.715 -10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.297 5.753 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.186 5.731 -13.181 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.002 4.213 -13.571 1.00 0.00 H new ATOM 460 N VAL A 34 -19.509 6.782 -6.610 1.00 0.00 N ATOM 461 CA VAL A 34 -20.077 6.523 -5.293 1.00 0.00 C ATOM 462 C VAL A 34 -19.790 5.095 -4.842 1.00 0.00 C ATOM 463 O VAL A 34 -20.002 4.142 -5.593 1.00 0.00 O ATOM 464 CB VAL A 34 -21.599 6.756 -5.282 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.296 5.783 -6.222 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.148 6.631 -3.869 1.00 0.00 C ATOM 0 H VAL A 34 -20.142 7.253 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.605 7.222 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.796 7.768 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.371 5.963 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.924 5.927 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -22.093 4.761 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.225 6.799 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.941 5.632 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.672 7.372 -3.227 1.00 0.00 H new ATOM 476 N ILE A 35 -19.308 4.954 -3.612 1.00 0.00 N ATOM 477 CA ILE A 35 -18.994 3.642 -3.060 1.00 0.00 C ATOM 478 C ILE A 35 -20.086 3.171 -2.106 1.00 0.00 C ATOM 479 O ILE A 35 -20.484 3.897 -1.195 1.00 0.00 O ATOM 480 CB ILE A 35 -17.646 3.653 -2.315 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.547 4.226 -3.212 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.284 2.249 -1.855 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.447 4.928 -2.447 1.00 0.00 C ATOM 0 H ILE A 35 -19.126 5.733 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.929 2.953 -3.902 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.739 4.290 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.111 3.418 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.993 4.928 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.329 2.273 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.057 1.875 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.206 1.591 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.703 5.309 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.870 5.757 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.974 4.224 -1.762 1.00 0.00 H new ATOM 495 N ARG A 36 -20.565 1.950 -2.321 1.00 0.00 N ATOM 496 CA ARG A 36 -21.611 1.381 -1.479 1.00 0.00 C ATOM 497 C ARG A 36 -21.019 0.428 -0.446 1.00 0.00 C ATOM 498 O ARG A 36 -21.263 0.565 0.752 1.00 0.00 O ATOM 499 CB ARG A 36 -22.641 0.644 -2.338 1.00 0.00 C ATOM 500 CG ARG A 36 -23.539 1.570 -3.141 1.00 0.00 C ATOM 501 CD ARG A 36 -24.817 0.868 -3.575 1.00 0.00 C ATOM 502 NE ARG A 36 -25.836 0.890 -2.529 1.00 0.00 N ATOM 503 CZ ARG A 36 -26.658 1.913 -2.326 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.582 2.992 -3.092 1.00 0.00 N ATOM 505 NH2 ARG A 36 -27.560 1.857 -1.354 1.00 0.00 N ATOM 0 H ARG A 36 -20.246 1.336 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.104 2.198 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.119 -0.025 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.260 0.021 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.789 2.446 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -23.002 1.927 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -25.208 1.349 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -24.591 -0.165 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.921 0.075 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -25.890 3.038 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -27.215 3.776 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -27.622 1.028 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -28.191 2.643 -1.198 1.00 0.00 H new ATOM 519 N GLY A 37 -20.238 -0.540 -0.919 1.00 0.00 N ATOM 520 CA GLY A 37 -19.624 -1.502 -0.023 1.00 0.00 C ATOM 521 C GLY A 37 -18.464 -0.912 0.754 1.00 0.00 C ATOM 522 O GLY A 37 -18.370 0.301 0.946 1.00 0.00 O ATOM 0 H GLY A 37 -20.020 -0.674 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.374 -1.873 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.273 -2.358 -0.599 1.00 0.00 H new ATOM 526 N PRO A 38 -17.555 -1.782 1.219 1.00 0.00 N ATOM 527 CA PRO A 38 -16.379 -1.363 1.989 1.00 0.00 C ATOM 528 C PRO A 38 -15.366 -0.609 1.135 1.00 0.00 C ATOM 529 O PRO A 38 -15.107 -0.979 -0.011 1.00 0.00 O ATOM 530 CB PRO A 38 -15.786 -2.686 2.479 1.00 0.00 C ATOM 531 CG PRO A 38 -16.246 -3.698 1.488 1.00 0.00 C ATOM 532 CD PRO A 38 -17.604 -3.241 1.029 1.00 0.00 C ATOM 0 HA PRO A 38 -16.642 -0.675 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.698 -2.640 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.135 -2.928 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.553 -3.766 0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.299 -4.689 1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.786 -3.505 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.401 -3.696 1.617 1.00 0.00 H new ATOM 540 N PHE A 39 -14.794 0.450 1.699 1.00 0.00 N ATOM 541 CA PHE A 39 -13.809 1.256 0.988 1.00 0.00 C ATOM 542 C PHE A 39 -12.580 1.505 1.859 1.00 0.00 C ATOM 543 O PHE A 39 -12.550 1.132 3.032 1.00 0.00 O ATOM 544 CB PHE A 39 -14.423 2.591 0.561 1.00 0.00 C ATOM 545 CG PHE A 39 -14.813 3.469 1.716 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.884 4.308 2.309 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.108 3.454 2.208 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.239 5.118 3.371 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.469 4.261 3.270 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.533 5.093 3.853 1.00 0.00 C ATOM 0 H PHE A 39 -14.996 0.770 2.646 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.499 0.706 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.710 3.125 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.304 2.397 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.870 4.329 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.843 2.805 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.506 5.769 3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.482 4.241 3.644 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.813 5.723 4.684 1.00 0.00 H new ATOM 560 N LEU A 40 -11.568 2.136 1.275 1.00 0.00 N ATOM 561 CA LEU A 40 -10.335 2.435 1.996 1.00 0.00 C ATOM 562 C LEU A 40 -10.075 3.937 2.030 1.00 0.00 C ATOM 563 O LEU A 40 -9.981 4.586 0.988 1.00 0.00 O ATOM 564 CB LEU A 40 -9.153 1.716 1.343 1.00 0.00 C ATOM 565 CG LEU A 40 -9.475 0.398 0.639 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.446 0.105 -0.442 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.534 -0.744 1.644 1.00 0.00 C ATOM 0 H LEU A 40 -11.576 2.451 0.305 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.447 2.081 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.699 2.391 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.403 1.521 2.110 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.453 0.491 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.691 -0.837 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.452 0.909 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.456 0.032 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.764 -1.674 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.571 -0.837 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.309 -0.539 2.382 1.00 0.00 H new ATOM 579 N VAL A 41 -9.956 4.485 3.236 1.00 0.00 N ATOM 580 CA VAL A 41 -9.703 5.910 3.406 1.00 0.00 C ATOM 581 C VAL A 41 -8.235 6.174 3.720 1.00 0.00 C ATOM 582 O VAL A 41 -7.739 5.798 4.781 1.00 0.00 O ATOM 583 CB VAL A 41 -10.571 6.504 4.532 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.696 5.520 5.686 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.993 7.827 5.009 1.00 0.00 C ATOM 0 H VAL A 41 -10.031 3.963 4.109 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.963 6.392 2.463 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.569 6.692 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.312 5.957 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.160 4.600 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.706 5.298 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.619 8.232 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.983 7.668 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.962 8.531 4.178 1.00 0.00 H new ATOM 595 N ALA A 42 -7.545 6.824 2.788 1.00 0.00 N ATOM 596 CA ALA A 42 -6.133 7.141 2.966 1.00 0.00 C ATOM 597 C ALA A 42 -5.768 8.439 2.253 1.00 0.00 C ATOM 598 O ALA A 42 -6.534 8.946 1.432 1.00 0.00 O ATOM 599 CB ALA A 42 -5.267 5.997 2.459 1.00 0.00 C ATOM 0 H ALA A 42 -7.941 7.141 1.903 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.948 7.277 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.215 6.247 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.501 5.089 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.464 5.834 1.399 1.00 0.00 H new ATOM 605 N LEU A 43 -4.594 8.974 2.572 1.00 0.00 N ATOM 606 CA LEU A 43 -4.128 10.214 1.963 1.00 0.00 C ATOM 607 C LEU A 43 -5.228 11.270 1.965 1.00 0.00 C ATOM 608 O LEU A 43 -5.299 12.110 1.069 1.00 0.00 O ATOM 609 CB LEU A 43 -3.656 9.956 0.531 1.00 0.00 C ATOM 610 CG LEU A 43 -2.279 9.308 0.384 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.209 10.178 1.024 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.276 7.916 1.000 1.00 0.00 C ATOM 0 H LEU A 43 -3.948 8.568 3.249 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.291 10.587 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.390 9.319 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.647 10.906 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.054 9.214 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.236 9.701 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.194 11.153 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.429 10.304 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.288 7.470 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.522 7.986 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.015 7.294 0.496 1.00 0.00 H new ATOM 624 N GLY A 44 -6.086 11.222 2.980 1.00 0.00 N ATOM 625 CA GLY A 44 -7.170 12.180 3.082 1.00 0.00 C ATOM 626 C GLY A 44 -8.185 12.029 1.965 1.00 0.00 C ATOM 627 O GLY A 44 -8.740 13.015 1.482 1.00 0.00 O ATOM 0 H GLY A 44 -6.049 10.536 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.670 12.057 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.761 13.190 3.063 1.00 0.00 H new ATOM 631 N LYS A 45 -8.427 10.789 1.553 1.00 0.00 N ATOM 632 CA LYS A 45 -9.380 10.510 0.486 1.00 0.00 C ATOM 633 C LYS A 45 -9.831 9.053 0.527 1.00 0.00 C ATOM 634 O LYS A 45 -9.277 8.242 1.269 1.00 0.00 O ATOM 635 CB LYS A 45 -8.759 10.824 -0.877 1.00 0.00 C ATOM 636 CG LYS A 45 -8.982 12.256 -1.331 1.00 0.00 C ATOM 637 CD LYS A 45 -8.833 12.394 -2.837 1.00 0.00 C ATOM 638 CE LYS A 45 -8.744 13.853 -3.257 1.00 0.00 C ATOM 639 NZ LYS A 45 -7.554 14.528 -2.670 1.00 0.00 N ATOM 0 H LYS A 45 -7.976 9.961 1.942 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.252 11.147 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.688 10.628 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.176 10.146 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.978 12.582 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.268 12.912 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.938 11.865 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.682 11.923 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.697 13.916 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.648 14.376 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.302 15.353 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.774 14.839 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.754 13.864 -2.647 1.00 0.00 H new ATOM 653 N SER A 46 -10.840 8.728 -0.276 1.00 0.00 N ATOM 654 CA SER A 46 -11.366 7.369 -0.329 1.00 0.00 C ATOM 655 C SER A 46 -11.020 6.704 -1.658 1.00 0.00 C ATOM 656 O SER A 46 -10.966 7.361 -2.698 1.00 0.00 O ATOM 657 CB SER A 46 -12.883 7.379 -0.131 1.00 0.00 C ATOM 658 OG SER A 46 -13.549 7.799 -1.309 1.00 0.00 O ATOM 0 H SER A 46 -11.309 9.387 -0.898 1.00 0.00 H new ATOM 0 HA SER A 46 -10.905 6.796 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.223 6.381 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.141 8.044 0.693 1.00 0.00 H new ATOM 0 HG SER A 46 -14.429 7.370 -1.358 1.00 0.00 H new ATOM 664 N TRP A 47 -10.787 5.397 -1.615 1.00 0.00 N ATOM 665 CA TRP A 47 -10.446 4.642 -2.816 1.00 0.00 C ATOM 666 C TRP A 47 -11.124 3.277 -2.811 1.00 0.00 C ATOM 667 O TRP A 47 -11.592 2.809 -1.772 1.00 0.00 O ATOM 668 CB TRP A 47 -8.930 4.472 -2.922 1.00 0.00 C ATOM 669 CG TRP A 47 -8.163 5.674 -2.460 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.077 6.150 -1.182 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.376 6.553 -3.271 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.285 7.272 -1.151 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.842 7.539 -2.419 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.070 6.602 -4.634 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.020 8.561 -2.887 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.254 7.617 -5.097 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.736 8.585 -4.226 1.00 0.00 C ATOM 0 H TRP A 47 -10.828 4.838 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.803 5.201 -3.681 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.627 3.607 -2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.667 4.259 -3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.560 5.709 -0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.063 7.818 -0.318 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.464 5.860 -5.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.621 9.308 -2.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.011 7.665 -6.148 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.100 9.365 -4.619 1.00 0.00 H new ATOM 688 N HIS A 48 -11.174 2.641 -3.977 1.00 0.00 N ATOM 689 CA HIS A 48 -11.795 1.328 -4.107 1.00 0.00 C ATOM 690 C HIS A 48 -10.799 0.221 -3.774 1.00 0.00 C ATOM 691 O HIS A 48 -9.632 0.266 -4.164 1.00 0.00 O ATOM 692 CB HIS A 48 -12.337 1.134 -5.523 1.00 0.00 C ATOM 693 CG HIS A 48 -13.726 1.663 -5.710 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.034 2.672 -6.598 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.893 1.316 -5.119 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.329 2.924 -6.543 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.874 2.114 -5.654 1.00 0.00 N ATOM 0 H HIS A 48 -10.792 3.014 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.622 1.273 -3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.670 1.629 -6.229 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.326 0.071 -5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.028 0.553 -4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.853 3.667 -7.126 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.863 2.086 -5.405 1.00 0.00 H new ATOM 705 N PRO A 49 -11.268 -0.796 -3.037 1.00 0.00 N ATOM 706 CA PRO A 49 -10.434 -1.933 -2.636 1.00 0.00 C ATOM 707 C PRO A 49 -10.069 -2.829 -3.815 1.00 0.00 C ATOM 708 O PRO A 49 -9.275 -3.759 -3.677 1.00 0.00 O ATOM 709 CB PRO A 49 -11.321 -2.691 -1.644 1.00 0.00 C ATOM 710 CG PRO A 49 -12.714 -2.328 -2.027 1.00 0.00 C ATOM 711 CD PRO A 49 -12.648 -0.915 -2.537 1.00 0.00 C ATOM 0 HA PRO A 49 -9.480 -1.611 -2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.160 -3.767 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.104 -2.399 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.096 -3.002 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.386 -2.403 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.378 -0.739 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.853 -0.193 -1.747 1.00 0.00 H new ATOM 719 N GLU A 50 -10.653 -2.541 -4.974 1.00 0.00 N ATOM 720 CA GLU A 50 -10.388 -3.321 -6.177 1.00 0.00 C ATOM 721 C GLU A 50 -9.464 -2.562 -7.125 1.00 0.00 C ATOM 722 O GLU A 50 -8.721 -3.166 -7.898 1.00 0.00 O ATOM 723 CB GLU A 50 -11.698 -3.663 -6.889 1.00 0.00 C ATOM 724 CG GLU A 50 -12.697 -2.518 -6.909 1.00 0.00 C ATOM 725 CD GLU A 50 -14.002 -2.894 -7.584 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.080 -2.786 -8.826 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.944 -3.295 -6.870 1.00 0.00 O ATOM 0 H GLU A 50 -11.312 -1.774 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.894 -4.245 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.478 -3.960 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.154 -4.523 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.900 -2.200 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.257 -1.666 -7.427 1.00 0.00 H new ATOM 734 N GLU A 51 -9.518 -1.236 -7.059 1.00 0.00 N ATOM 735 CA GLU A 51 -8.687 -0.394 -7.913 1.00 0.00 C ATOM 736 C GLU A 51 -7.383 -0.027 -7.211 1.00 0.00 C ATOM 737 O GLU A 51 -6.314 -0.035 -7.821 1.00 0.00 O ATOM 738 CB GLU A 51 -9.443 0.877 -8.305 1.00 0.00 C ATOM 739 CG GLU A 51 -10.488 0.655 -9.386 1.00 0.00 C ATOM 740 CD GLU A 51 -11.330 1.888 -9.645 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.253 2.839 -8.839 1.00 0.00 O ATOM 742 OE2 GLU A 51 -12.068 1.903 -10.653 1.00 0.00 O ATOM 0 H GLU A 51 -10.128 -0.721 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.448 -0.958 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.929 1.288 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.728 1.623 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.992 0.358 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.138 -0.170 -9.094 1.00 0.00 H new ATOM 749 N PHE A 52 -7.480 0.294 -5.925 1.00 0.00 N ATOM 750 CA PHE A 52 -6.308 0.665 -5.140 1.00 0.00 C ATOM 751 C PHE A 52 -5.151 -0.294 -5.402 1.00 0.00 C ATOM 752 O PHE A 52 -5.166 -1.439 -4.950 1.00 0.00 O ATOM 753 CB PHE A 52 -6.650 0.675 -3.648 1.00 0.00 C ATOM 754 CG PHE A 52 -5.747 1.554 -2.832 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.494 2.860 -3.220 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.152 1.076 -1.676 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.662 3.671 -2.472 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.319 1.882 -0.923 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.075 3.182 -1.321 1.00 0.00 C ATOM 0 H PHE A 52 -8.357 0.305 -5.405 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.001 1.666 -5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.680 1.009 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.596 -0.344 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.952 3.249 -4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.341 0.061 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.471 4.686 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.860 1.496 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.427 3.815 -0.733 1.00 0.00 H new ATOM 769 N ASN A 53 -4.150 0.182 -6.135 1.00 0.00 N ATOM 770 CA ASN A 53 -2.985 -0.634 -6.459 1.00 0.00 C ATOM 771 C ASN A 53 -1.729 0.227 -6.558 1.00 0.00 C ATOM 772 O ASN A 53 -1.796 1.403 -6.920 1.00 0.00 O ATOM 773 CB ASN A 53 -3.209 -1.382 -7.774 1.00 0.00 C ATOM 774 CG ASN A 53 -4.233 -2.492 -7.640 1.00 0.00 C ATOM 775 OD1 ASN A 53 -4.318 -3.152 -6.604 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.017 -2.705 -8.691 1.00 0.00 N ATOM 0 H ASN A 53 -4.122 1.128 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.846 -1.359 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.538 -0.678 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.263 -1.803 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.724 -3.440 -8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.912 -2.134 -9.530 1.00 0.00 H new ATOM 783 N CYS A 54 -0.585 -0.366 -6.236 1.00 0.00 N ATOM 784 CA CYS A 54 0.687 0.345 -6.289 1.00 0.00 C ATOM 785 C CYS A 54 0.863 1.047 -7.633 1.00 0.00 C ATOM 786 O CYS A 54 0.043 0.892 -8.537 1.00 0.00 O ATOM 787 CB CYS A 54 1.847 -0.624 -6.051 1.00 0.00 C ATOM 788 SG CYS A 54 3.350 0.164 -5.388 1.00 0.00 S ATOM 0 H CYS A 54 -0.512 -1.338 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 54 0.686 1.100 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.521 -1.401 -5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.093 -1.117 -6.991 1.00 0.00 H new ATOM 0 HG CYS A 54 3.138 1.436 -5.226 1.00 0.00 H new ATOM 793 N ALA A 55 1.937 1.819 -7.755 1.00 0.00 N ATOM 794 CA ALA A 55 2.222 2.542 -8.988 1.00 0.00 C ATOM 795 C ALA A 55 3.384 1.904 -9.743 1.00 0.00 C ATOM 796 O ALA A 55 3.578 2.157 -10.932 1.00 0.00 O ATOM 797 CB ALA A 55 2.526 4.002 -8.685 1.00 0.00 C ATOM 0 H ALA A 55 2.624 1.960 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 55 1.338 2.490 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.737 4.530 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.666 4.459 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.393 4.064 -8.027 1.00 0.00 H new ATOM 803 N HIS A 56 4.154 1.076 -9.044 1.00 0.00 N ATOM 804 CA HIS A 56 5.297 0.401 -9.649 1.00 0.00 C ATOM 805 C HIS A 56 4.986 -1.070 -9.907 1.00 0.00 C ATOM 806 O HIS A 56 4.955 -1.517 -11.054 1.00 0.00 O ATOM 807 CB HIS A 56 6.525 0.525 -8.747 1.00 0.00 C ATOM 808 CG HIS A 56 7.687 -0.305 -9.200 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.748 0.212 -9.912 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.951 -1.622 -9.037 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.614 -0.752 -10.169 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.154 -1.875 -9.648 1.00 0.00 N ATOM 0 H HIS A 56 4.007 0.856 -8.059 1.00 0.00 H new ATOM 0 HA HIS A 56 5.507 0.882 -10.604 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.830 1.570 -8.705 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.252 0.231 -7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.331 -2.341 -8.522 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.541 -0.641 -10.713 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.617 -2.783 -9.692 1.00 0.00 H new ATOM 821 N CYS A 57 4.756 -1.818 -8.833 1.00 0.00 N ATOM 822 CA CYS A 57 4.448 -3.239 -8.942 1.00 0.00 C ATOM 823 C CYS A 57 2.988 -3.451 -9.329 1.00 0.00 C ATOM 824 O CYS A 57 2.598 -4.539 -9.754 1.00 0.00 O ATOM 825 CB CYS A 57 4.745 -3.949 -7.620 1.00 0.00 C ATOM 826 SG CYS A 57 3.745 -3.357 -6.217 1.00 0.00 S ATOM 0 H CYS A 57 4.777 -1.463 -7.877 1.00 0.00 H new ATOM 0 HA CYS A 57 5.078 -3.663 -9.724 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.575 -5.018 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.800 -3.820 -7.380 1.00 0.00 H new ATOM 0 HG CYS A 57 3.876 -2.069 -6.104 1.00 0.00 H new ATOM 831 N LYS A 58 2.184 -2.404 -9.179 1.00 0.00 N ATOM 832 CA LYS A 58 0.766 -2.473 -9.514 1.00 0.00 C ATOM 833 C LYS A 58 0.097 -3.648 -8.809 1.00 0.00 C ATOM 834 O LYS A 58 -0.648 -4.410 -9.423 1.00 0.00 O ATOM 835 CB LYS A 58 0.584 -2.603 -11.028 1.00 0.00 C ATOM 836 CG LYS A 58 1.226 -1.474 -11.817 1.00 0.00 C ATOM 837 CD LYS A 58 0.278 -0.297 -11.977 1.00 0.00 C ATOM 838 CE LYS A 58 -0.708 -0.527 -13.112 1.00 0.00 C ATOM 839 NZ LYS A 58 -1.776 0.510 -13.137 1.00 0.00 N ATOM 0 H LYS A 58 2.490 -1.497 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 58 0.293 -1.551 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.008 -3.552 -11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.481 -2.634 -11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.134 -1.145 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.524 -1.839 -12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.267 -0.138 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.851 0.610 -12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.175 -0.522 -14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.161 -1.513 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.428 0.318 -13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.301 0.489 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.346 1.448 -13.264 1.00 0.00 H new ATOM 853 N ASN A 59 0.368 -3.788 -7.515 1.00 0.00 N ATOM 854 CA ASN A 59 -0.209 -4.870 -6.726 1.00 0.00 C ATOM 855 C ASN A 59 -1.206 -4.328 -5.706 1.00 0.00 C ATOM 856 O ASN A 59 -1.202 -3.138 -5.388 1.00 0.00 O ATOM 857 CB ASN A 59 0.894 -5.652 -6.011 1.00 0.00 C ATOM 858 CG ASN A 59 1.532 -6.700 -6.903 1.00 0.00 C ATOM 859 OD1 ASN A 59 2.457 -6.269 -7.753 1.00 0.00 O flip ATOM 860 ND2 ASN A 59 1.196 -7.882 -6.829 1.00 0.00 N flip ATOM 0 H ASN A 59 0.983 -3.166 -6.991 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.738 -5.539 -7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.660 -4.959 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.478 -6.136 -5.127 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.481 -8.168 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.633 -8.575 -7.436 1.00 0.00 H new ATOM 867 N THR A 60 -2.061 -5.210 -5.195 1.00 0.00 N ATOM 868 CA THR A 60 -3.064 -4.821 -4.212 1.00 0.00 C ATOM 869 C THR A 60 -2.421 -4.130 -3.015 1.00 0.00 C ATOM 870 O THR A 60 -1.579 -4.711 -2.330 1.00 0.00 O ATOM 871 CB THR A 60 -3.868 -6.038 -3.718 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.784 -5.637 -2.693 1.00 0.00 O ATOM 873 CG2 THR A 60 -2.940 -7.118 -3.183 1.00 0.00 C ATOM 0 H THR A 60 -2.078 -6.198 -5.446 1.00 0.00 H new ATOM 0 HA THR A 60 -3.741 -4.126 -4.709 1.00 0.00 H new ATOM 0 HB THR A 60 -4.425 -6.445 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.292 -6.416 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.530 -7.968 -2.840 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.264 -7.442 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.360 -6.720 -2.351 1.00 0.00 H new ATOM 881 N MET A 61 -2.824 -2.889 -2.767 1.00 0.00 N ATOM 882 CA MET A 61 -2.288 -2.120 -1.649 1.00 0.00 C ATOM 883 C MET A 61 -3.328 -1.969 -0.544 1.00 0.00 C ATOM 884 O MET A 61 -3.472 -0.898 0.043 1.00 0.00 O ATOM 885 CB MET A 61 -1.828 -0.741 -2.125 1.00 0.00 C ATOM 886 CG MET A 61 -0.545 -0.775 -2.939 1.00 0.00 C ATOM 887 SD MET A 61 0.414 0.744 -2.788 1.00 0.00 S ATOM 888 CE MET A 61 -0.768 1.952 -3.382 1.00 0.00 C ATOM 0 H MET A 61 -3.520 -2.394 -3.325 1.00 0.00 H new ATOM 0 HA MET A 61 -1.432 -2.661 -1.246 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.618 -0.291 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.681 -0.097 -1.258 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.064 -1.618 -2.614 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.789 -0.943 -3.988 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.297 2.581 -4.137 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.624 1.439 -3.820 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.103 2.572 -2.551 1.00 0.00 H new ATOM 898 N ALA A 62 -4.052 -3.049 -0.267 1.00 0.00 N ATOM 899 CA ALA A 62 -5.078 -3.036 0.768 1.00 0.00 C ATOM 900 C ALA A 62 -4.553 -3.634 2.069 1.00 0.00 C ATOM 901 O ALA A 62 -4.455 -2.945 3.085 1.00 0.00 O ATOM 902 CB ALA A 62 -6.312 -3.793 0.298 1.00 0.00 C ATOM 0 H ALA A 62 -3.947 -3.944 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.352 -1.999 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.070 -3.775 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.708 -3.321 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.043 -4.826 0.077 1.00 0.00 H new ATOM 908 N TYR A 63 -4.216 -4.918 2.031 1.00 0.00 N ATOM 909 CA TYR A 63 -3.704 -5.610 3.208 1.00 0.00 C ATOM 910 C TYR A 63 -2.204 -5.380 3.364 1.00 0.00 C ATOM 911 O TYR A 63 -1.468 -6.274 3.784 1.00 0.00 O ATOM 912 CB TYR A 63 -3.995 -7.108 3.112 1.00 0.00 C ATOM 913 CG TYR A 63 -5.382 -7.424 2.601 1.00 0.00 C ATOM 914 CD1 TYR A 63 -6.488 -7.343 3.440 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.588 -7.805 1.281 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.757 -7.632 2.978 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.854 -8.094 0.810 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.936 -8.006 1.662 1.00 0.00 C ATOM 919 OH TYR A 63 -9.198 -8.294 1.198 1.00 0.00 O ATOM 0 H TYR A 63 -4.288 -5.501 1.197 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.209 -5.205 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.260 -7.571 2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.868 -7.558 4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.352 -7.049 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.744 -7.876 0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.605 -7.566 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.996 -8.387 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.150 -8.539 0.250 1.00 0.00 H new ATOM 929 N ILE A 64 -1.757 -4.176 3.024 1.00 0.00 N ATOM 930 CA ILE A 64 -0.346 -3.827 3.127 1.00 0.00 C ATOM 931 C ILE A 64 -0.166 -2.338 3.398 1.00 0.00 C ATOM 932 O ILE A 64 -1.138 -1.586 3.462 1.00 0.00 O ATOM 933 CB ILE A 64 0.422 -4.201 1.846 1.00 0.00 C ATOM 934 CG1 ILE A 64 -0.160 -3.458 0.642 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.375 -5.705 1.620 1.00 0.00 C ATOM 936 CD1 ILE A 64 0.843 -3.224 -0.467 1.00 0.00 C ATOM 0 H ILE A 64 -2.352 -3.425 2.674 1.00 0.00 H new ATOM 0 HA ILE A 64 0.059 -4.397 3.963 1.00 0.00 H new ATOM 0 HB ILE A 64 1.464 -3.904 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.001 -4.027 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.553 -2.497 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.922 -5.954 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.831 -6.215 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.662 -6.025 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.361 -2.693 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.673 -2.628 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.218 -4.182 -0.826 1.00 0.00 H new ATOM 948 N GLY A 65 1.086 -1.917 3.555 1.00 0.00 N ATOM 949 CA GLY A 65 1.371 -0.518 3.816 1.00 0.00 C ATOM 950 C GLY A 65 1.990 0.180 2.621 1.00 0.00 C ATOM 951 O GLY A 65 2.759 -0.422 1.871 1.00 0.00 O ATOM 0 H GLY A 65 1.907 -2.520 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.448 -0.008 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.046 -0.441 4.668 1.00 0.00 H new ATOM 955 N PHE A 66 1.653 1.453 2.441 1.00 0.00 N ATOM 956 CA PHE A 66 2.179 2.233 1.327 1.00 0.00 C ATOM 957 C PHE A 66 2.790 3.541 1.819 1.00 0.00 C ATOM 958 O PHE A 66 2.574 3.950 2.960 1.00 0.00 O ATOM 959 CB PHE A 66 1.071 2.524 0.313 1.00 0.00 C ATOM 960 CG PHE A 66 -0.212 2.985 0.943 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.367 4.302 1.346 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.263 2.103 1.132 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.547 4.729 1.927 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.445 2.524 1.712 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.587 3.839 2.109 1.00 0.00 C ATOM 0 H PHE A 66 1.018 1.966 3.052 1.00 0.00 H new ATOM 0 HA PHE A 66 2.961 1.647 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.419 3.286 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.877 1.624 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.443 5.003 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.158 1.074 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.655 5.758 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.256 1.825 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.510 4.171 2.561 1.00 0.00 H new ATOM 975 N VAL A 67 3.556 4.193 0.951 1.00 0.00 N ATOM 976 CA VAL A 67 4.199 5.456 1.296 1.00 0.00 C ATOM 977 C VAL A 67 3.975 6.502 0.209 1.00 0.00 C ATOM 978 O VAL A 67 4.093 6.210 -0.980 1.00 0.00 O ATOM 979 CB VAL A 67 5.713 5.273 1.513 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.362 6.597 1.890 1.00 0.00 C ATOM 981 CG2 VAL A 67 5.975 4.220 2.578 1.00 0.00 C ATOM 0 H VAL A 67 3.747 3.868 0.003 1.00 0.00 H new ATOM 0 HA VAL A 67 3.745 5.800 2.225 1.00 0.00 H new ATOM 0 HB VAL A 67 6.158 4.930 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.431 6.448 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.204 7.320 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.916 6.972 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.050 4.104 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.518 4.531 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.545 3.269 2.263 1.00 0.00 H new ATOM 991 N GLU A 68 3.651 7.721 0.627 1.00 0.00 N ATOM 992 CA GLU A 68 3.410 8.811 -0.311 1.00 0.00 C ATOM 993 C GLU A 68 4.706 9.550 -0.632 1.00 0.00 C ATOM 994 O GLU A 68 5.399 10.027 0.267 1.00 0.00 O ATOM 995 CB GLU A 68 2.381 9.788 0.261 1.00 0.00 C ATOM 996 CG GLU A 68 2.402 11.153 -0.406 1.00 0.00 C ATOM 997 CD GLU A 68 1.497 12.154 0.286 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.732 12.440 1.479 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.555 12.652 -0.365 1.00 0.00 O ATOM 0 H GLU A 68 3.549 7.979 1.609 1.00 0.00 H new ATOM 0 HA GLU A 68 3.019 8.382 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.385 9.357 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.564 9.912 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.423 11.535 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.095 11.050 -1.447 1.00 0.00 H new ATOM 1006 N GLU A 69 5.027 9.639 -1.919 1.00 0.00 N ATOM 1007 CA GLU A 69 6.241 10.318 -2.357 1.00 0.00 C ATOM 1008 C GLU A 69 6.090 10.831 -3.786 1.00 0.00 C ATOM 1009 O GLU A 69 5.876 10.056 -4.718 1.00 0.00 O ATOM 1010 CB GLU A 69 7.441 9.373 -2.267 1.00 0.00 C ATOM 1011 CG GLU A 69 8.739 9.989 -2.764 1.00 0.00 C ATOM 1012 CD GLU A 69 9.416 10.848 -1.715 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.700 11.531 -0.953 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.664 10.837 -1.655 1.00 0.00 O ATOM 0 H GLU A 69 4.464 9.250 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 69 6.409 11.170 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.570 9.061 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.230 8.474 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.419 9.195 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.535 10.594 -3.647 1.00 0.00 H new ATOM 1021 N LYS A 70 6.204 12.145 -3.952 1.00 0.00 N ATOM 1022 CA LYS A 70 6.082 12.765 -5.266 1.00 0.00 C ATOM 1023 C LYS A 70 4.762 12.381 -5.928 1.00 0.00 C ATOM 1024 O LYS A 70 4.735 11.973 -7.088 1.00 0.00 O ATOM 1025 CB LYS A 70 7.253 12.350 -6.159 1.00 0.00 C ATOM 1026 CG LYS A 70 8.565 13.023 -5.794 1.00 0.00 C ATOM 1027 CD LYS A 70 8.760 14.318 -6.563 1.00 0.00 C ATOM 1028 CE LYS A 70 8.292 15.521 -5.758 1.00 0.00 C ATOM 1029 NZ LYS A 70 7.734 16.591 -6.630 1.00 0.00 N ATOM 0 H LYS A 70 6.381 12.801 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 70 6.100 13.847 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.380 11.269 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.010 12.585 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.584 13.228 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.393 12.346 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.813 14.436 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.209 14.271 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.534 15.205 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.128 15.920 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.427 17.392 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.464 16.911 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.920 16.218 -7.160 1.00 0.00 H new ATOM 1043 N GLY A 71 3.670 12.515 -5.182 1.00 0.00 N ATOM 1044 CA GLY A 71 2.362 12.179 -5.715 1.00 0.00 C ATOM 1045 C GLY A 71 2.286 10.746 -6.203 1.00 0.00 C ATOM 1046 O GLY A 71 1.645 10.461 -7.214 1.00 0.00 O ATOM 0 H GLY A 71 3.667 12.850 -4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.607 12.338 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.124 12.853 -6.538 1.00 0.00 H new ATOM 1050 N ALA A 72 2.942 9.842 -5.483 1.00 0.00 N ATOM 1051 CA ALA A 72 2.945 8.430 -5.849 1.00 0.00 C ATOM 1052 C ALA A 72 2.987 7.543 -4.610 1.00 0.00 C ATOM 1053 O ALA A 72 3.795 7.758 -3.705 1.00 0.00 O ATOM 1054 CB ALA A 72 4.125 8.124 -6.760 1.00 0.00 C ATOM 0 H ALA A 72 3.478 10.062 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 72 2.021 8.216 -6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.115 7.067 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.051 8.726 -7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.055 8.359 -6.242 1.00 0.00 H new ATOM 1060 N LEU A 73 2.111 6.545 -4.573 1.00 0.00 N ATOM 1061 CA LEU A 73 2.046 5.624 -3.444 1.00 0.00 C ATOM 1062 C LEU A 73 2.843 4.355 -3.730 1.00 0.00 C ATOM 1063 O LEU A 73 2.609 3.675 -4.730 1.00 0.00 O ATOM 1064 CB LEU A 73 0.592 5.267 -3.133 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.326 6.438 -2.781 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.766 5.967 -2.649 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.137 7.111 -1.498 1.00 0.00 C ATOM 0 H LEU A 73 1.435 6.353 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 73 2.485 6.120 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.173 4.750 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.582 4.561 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.277 7.168 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.404 6.814 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.095 5.532 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.833 5.217 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.528 7.942 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.119 6.389 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.153 7.485 -1.629 1.00 0.00 H new ATOM 1079 N TYR A 74 3.783 4.041 -2.845 1.00 0.00 N ATOM 1080 CA TYR A 74 4.615 2.853 -3.003 1.00 0.00 C ATOM 1081 C TYR A 74 4.459 1.917 -1.808 1.00 0.00 C ATOM 1082 O TYR A 74 4.550 2.341 -0.656 1.00 0.00 O ATOM 1083 CB TYR A 74 6.083 3.251 -3.166 1.00 0.00 C ATOM 1084 CG TYR A 74 6.329 4.199 -4.318 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.361 3.737 -5.628 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.530 5.556 -4.096 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.586 4.599 -6.684 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.755 6.425 -5.146 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.782 5.942 -6.438 1.00 0.00 C ATOM 1090 OH TYR A 74 7.007 6.805 -7.486 1.00 0.00 O ATOM 0 H TYR A 74 3.988 4.592 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 74 4.287 2.326 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.429 3.716 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.681 2.351 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.207 2.686 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.510 5.938 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.608 4.223 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.909 7.477 -4.956 1.00 0.00 H new ATOM 0 HH TYR A 74 7.124 7.715 -7.141 1.00 0.00 H new ATOM 1100 N CYS A 75 4.225 0.640 -2.092 1.00 0.00 N ATOM 1101 CA CYS A 75 4.057 -0.358 -1.044 1.00 0.00 C ATOM 1102 C CYS A 75 5.366 -0.585 -0.293 1.00 0.00 C ATOM 1103 O CYS A 75 6.449 -0.400 -0.846 1.00 0.00 O ATOM 1104 CB CYS A 75 3.564 -1.678 -1.641 1.00 0.00 C ATOM 1105 SG CYS A 75 4.756 -2.478 -2.763 1.00 0.00 S ATOM 0 H CYS A 75 4.147 0.272 -3.040 1.00 0.00 H new ATOM 0 HA CYS A 75 3.314 0.015 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.328 -2.366 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.637 -1.495 -2.184 1.00 0.00 H new ATOM 0 HG CYS A 75 4.197 -2.676 -3.920 1.00 0.00 H new ATOM 1110 N GLU A 76 5.256 -0.986 0.969 1.00 0.00 N ATOM 1111 CA GLU A 76 6.431 -1.237 1.795 1.00 0.00 C ATOM 1112 C GLU A 76 7.490 -2.011 1.015 1.00 0.00 C ATOM 1113 O GLU A 76 8.687 -1.751 1.144 1.00 0.00 O ATOM 1114 CB GLU A 76 6.041 -2.014 3.054 1.00 0.00 C ATOM 1115 CG GLU A 76 5.417 -3.369 2.764 1.00 0.00 C ATOM 1116 CD GLU A 76 5.284 -4.228 4.007 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.267 -4.088 4.719 1.00 0.00 O ATOM 1118 OE2 GLU A 76 6.196 -5.040 4.267 1.00 0.00 O ATOM 0 H GLU A 76 4.366 -1.144 1.442 1.00 0.00 H new ATOM 0 HA GLU A 76 6.850 -0.274 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.927 -2.156 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.339 -1.417 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.432 -3.224 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.024 -3.894 2.027 1.00 0.00 H new ATOM 1125 N LEU A 77 7.040 -2.964 0.205 1.00 0.00 N ATOM 1126 CA LEU A 77 7.948 -3.777 -0.597 1.00 0.00 C ATOM 1127 C LEU A 77 8.804 -2.902 -1.506 1.00 0.00 C ATOM 1128 O LEU A 77 10.033 -2.984 -1.487 1.00 0.00 O ATOM 1129 CB LEU A 77 7.157 -4.783 -1.436 1.00 0.00 C ATOM 1130 CG LEU A 77 6.901 -6.144 -0.787 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.815 -6.898 -1.539 1.00 0.00 C ATOM 1132 CD2 LEU A 77 8.185 -6.961 -0.739 1.00 0.00 C ATOM 0 H LEU A 77 6.053 -3.192 0.087 1.00 0.00 H new ATOM 0 HA LEU A 77 8.608 -4.318 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.195 -4.337 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.691 -4.944 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 77 6.559 -5.980 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.646 -7.864 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.892 -6.319 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.128 -7.052 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.985 -7.926 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.556 -7.116 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.935 -6.426 -0.156 1.00 0.00 H new ATOM 1144 N CYS A 78 8.148 -2.063 -2.300 1.00 0.00 N ATOM 1145 CA CYS A 78 8.848 -1.170 -3.216 1.00 0.00 C ATOM 1146 C CYS A 78 9.757 -0.211 -2.452 1.00 0.00 C ATOM 1147 O CYS A 78 10.965 -0.165 -2.686 1.00 0.00 O ATOM 1148 CB CYS A 78 7.845 -0.379 -4.057 1.00 0.00 C ATOM 1149 SG CYS A 78 7.027 -1.359 -5.356 1.00 0.00 S ATOM 0 H CYS A 78 7.132 -1.983 -2.328 1.00 0.00 H new ATOM 0 HA CYS A 78 9.465 -1.779 -3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.084 0.038 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.360 0.462 -4.521 1.00 0.00 H new ATOM 0 HG CYS A 78 6.042 -2.031 -4.837 1.00 0.00 H new ATOM 1154 N TYR A 79 9.167 0.553 -1.539 1.00 0.00 N ATOM 1155 CA TYR A 79 9.922 1.513 -0.743 1.00 0.00 C ATOM 1156 C TYR A 79 11.119 0.844 -0.074 1.00 0.00 C ATOM 1157 O TYR A 79 12.262 1.257 -0.267 1.00 0.00 O ATOM 1158 CB TYR A 79 9.020 2.148 0.318 1.00 0.00 C ATOM 1159 CG TYR A 79 9.752 3.083 1.253 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.599 2.590 2.238 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.598 4.460 1.151 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.269 3.442 3.096 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.265 5.319 2.003 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.099 4.805 2.974 1.00 0.00 C ATOM 1165 OH TYR A 79 11.766 5.656 3.825 1.00 0.00 O ATOM 0 H TYR A 79 8.169 0.526 -1.332 1.00 0.00 H new ATOM 0 HA TYR A 79 10.290 2.291 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.220 2.697 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.549 1.358 0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.736 1.523 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.945 4.866 0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.922 3.042 3.858 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.134 6.387 1.909 1.00 0.00 H new ATOM 0 HH TYR A 79 12.325 6.269 3.303 1.00 0.00 H new ATOM 1175 N GLU A 80 10.846 -0.193 0.712 1.00 0.00 N ATOM 1176 CA GLU A 80 11.901 -0.920 1.410 1.00 0.00 C ATOM 1177 C GLU A 80 12.973 -1.393 0.433 1.00 0.00 C ATOM 1178 O GLU A 80 14.105 -1.679 0.825 1.00 0.00 O ATOM 1179 CB GLU A 80 11.315 -2.117 2.160 1.00 0.00 C ATOM 1180 CG GLU A 80 12.338 -2.877 2.989 1.00 0.00 C ATOM 1181 CD GLU A 80 11.701 -3.909 3.898 1.00 0.00 C ATOM 1182 OE1 GLU A 80 10.719 -4.551 3.471 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.185 -4.075 5.038 1.00 0.00 O ATOM 0 H GLU A 80 9.905 -0.548 0.881 1.00 0.00 H new ATOM 0 HA GLU A 80 12.362 -0.241 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.516 -1.769 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.863 -2.800 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.045 -3.372 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.909 -2.171 3.592 1.00 0.00 H new ATOM 1190 N LYS A 81 12.609 -1.474 -0.842 1.00 0.00 N ATOM 1191 CA LYS A 81 13.538 -1.911 -1.878 1.00 0.00 C ATOM 1192 C LYS A 81 14.343 -0.734 -2.420 1.00 0.00 C ATOM 1193 O LYS A 81 15.563 -0.815 -2.561 1.00 0.00 O ATOM 1194 CB LYS A 81 12.779 -2.593 -3.018 1.00 0.00 C ATOM 1195 CG LYS A 81 12.632 -4.094 -2.840 1.00 0.00 C ATOM 1196 CD LYS A 81 11.920 -4.729 -4.022 1.00 0.00 C ATOM 1197 CE LYS A 81 11.931 -6.247 -3.929 1.00 0.00 C ATOM 1198 NZ LYS A 81 11.825 -6.886 -5.270 1.00 0.00 N ATOM 0 H LYS A 81 11.676 -1.243 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 81 14.230 -2.626 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.788 -2.147 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.297 -2.396 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.617 -4.545 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.076 -4.300 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.890 -4.373 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.401 -4.417 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.850 -6.574 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.103 -6.578 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.836 -7.920 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.936 -6.594 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.629 -6.590 -5.860 1.00 0.00 H new ATOM 1212 N PHE A 82 13.651 0.360 -2.722 1.00 0.00 N ATOM 1213 CA PHE A 82 14.301 1.555 -3.248 1.00 0.00 C ATOM 1214 C PHE A 82 14.856 2.415 -2.116 1.00 0.00 C ATOM 1215 O PHE A 82 16.063 2.641 -2.028 1.00 0.00 O ATOM 1216 CB PHE A 82 13.315 2.370 -4.087 1.00 0.00 C ATOM 1217 CG PHE A 82 12.866 1.666 -5.335 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.686 1.614 -6.451 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.623 1.056 -5.394 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.274 0.968 -7.601 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.206 0.408 -6.541 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.033 0.363 -7.646 1.00 0.00 C ATOM 0 H PHE A 82 12.640 0.444 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 82 15.131 1.239 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.442 2.607 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.779 3.317 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.658 2.084 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.972 1.087 -4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.922 0.936 -8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.235 -0.063 -6.573 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.710 -0.144 -8.543 1.00 0.00 H new ATOM 1232 N PHE A 83 13.966 2.893 -1.253 1.00 0.00 N ATOM 1233 CA PHE A 83 14.366 3.730 -0.128 1.00 0.00 C ATOM 1234 C PHE A 83 15.434 3.037 0.713 1.00 0.00 C ATOM 1235 O PHE A 83 16.592 3.453 0.730 1.00 0.00 O ATOM 1236 CB PHE A 83 13.152 4.064 0.742 1.00 0.00 C ATOM 1237 CG PHE A 83 12.441 5.319 0.323 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.512 5.293 -0.705 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.701 6.523 0.956 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.855 6.446 -1.093 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.047 7.679 0.572 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.124 7.640 -0.454 1.00 0.00 C ATOM 0 H PHE A 83 12.963 2.715 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 83 14.785 4.654 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.451 3.230 0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.475 4.168 1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.299 4.362 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.423 6.559 1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.132 6.413 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.258 8.612 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.613 8.542 -0.756 1.00 0.00 H new ATOM 1252 N ALA A 84 15.035 1.978 1.410 1.00 0.00 N ATOM 1253 CA ALA A 84 15.957 1.226 2.252 1.00 0.00 C ATOM 1254 C ALA A 84 16.995 0.492 1.410 1.00 0.00 C ATOM 1255 O ALA A 84 16.846 -0.696 1.122 1.00 0.00 O ATOM 1256 CB ALA A 84 15.192 0.244 3.126 1.00 0.00 C ATOM 0 H ALA A 84 14.079 1.622 1.408 1.00 0.00 H new ATOM 0 HA ALA A 84 16.483 1.933 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.893 -0.311 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.494 0.790 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.640 -0.451 2.494 1.00 0.00 H new