USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 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 108 HIS : no HD1:sc= -6.99! C(o=-17!,f=-18!) USER MOD Set 1.2: A 121 GLN : amide:sc= -10.4! C(o=-17!,f=-25!) USER MOD Set 2.1: A 52 GLN : amide:sc= -2.38! X(o=-2.9!,f=-2.6) USER MOD Set 2.2: A 116 MET CE :methyl -118:sc= -0.514 (180deg=-0.868) USER MOD Single : A 43 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-4.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.814 (180deg=-2!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00508) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 86 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-7.6!) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.0178 (180deg=-0.228) USER MOD Single : A 89 CYS SG : rot -6:sc= -1.07 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 3:sc= 1.17 USER MOD Single : A 95 CYS SG : rot -84:sc= 0.653 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc=-0.00793 F(o=-0.57,f=-0.0079) USER MOD Single : A 105 SER OG : rot -26:sc= 0.35 USER MOD Single : A 110 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -127:sc= -0.0114 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 0.877 14.335 -7.105 1.00 0.00 N ATOM 136 CA ASP A 42 0.519 15.669 -6.638 1.00 0.00 C ATOM 137 C ASP A 42 1.423 16.103 -5.488 1.00 0.00 C ATOM 138 O ASP A 42 2.007 15.268 -4.795 1.00 0.00 O ATOM 139 CB ASP A 42 -0.944 15.702 -6.193 1.00 0.00 C ATOM 140 CG ASP A 42 -1.284 14.575 -5.238 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.078 13.401 -5.610 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.758 14.867 -4.120 1.00 0.00 O ATOM 0 HA ASP A 42 0.654 16.365 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.153 16.658 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.589 15.639 -7.069 1.00 0.00 H new ATOM 147 N HIS A 43 1.534 17.412 -5.290 1.00 0.00 N ATOM 148 CA HIS A 43 2.368 17.957 -4.224 1.00 0.00 C ATOM 149 C HIS A 43 1.826 17.558 -2.854 1.00 0.00 C ATOM 150 O HIS A 43 2.590 17.327 -1.917 1.00 0.00 O ATOM 151 CB HIS A 43 2.441 19.480 -4.333 1.00 0.00 C ATOM 152 CG HIS A 43 1.159 20.169 -3.981 1.00 0.00 C ATOM 153 ND1 HIS A 43 -0.072 19.745 -4.436 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.920 21.256 -3.211 1.00 0.00 C ATOM 155 CE1 HIS A 43 -1.012 20.544 -3.963 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.437 21.469 -3.216 1.00 0.00 N ATOM 0 H HIS A 43 1.057 18.116 -5.854 1.00 0.00 H new ATOM 0 HA HIS A 43 3.371 17.545 -4.333 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.232 19.845 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.721 19.750 -5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.659 21.846 -2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.071 20.456 -4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.922 22.219 -2.723 1.00 0.00 H new ATOM 165 N ASP A 44 0.504 17.481 -2.746 1.00 0.00 N ATOM 166 CA ASP A 44 -0.139 17.110 -1.491 1.00 0.00 C ATOM 167 C ASP A 44 -0.413 15.610 -1.443 1.00 0.00 C ATOM 168 O ASP A 44 -1.114 15.126 -0.555 1.00 0.00 O ATOM 169 CB ASP A 44 -1.446 17.886 -1.315 1.00 0.00 C ATOM 170 CG ASP A 44 -1.247 19.195 -0.577 1.00 0.00 C ATOM 171 OD1 ASP A 44 -0.216 19.859 -0.814 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.121 19.557 0.238 1.00 0.00 O ATOM 0 H ASP A 44 -0.143 17.670 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 44 0.538 17.363 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.881 18.087 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.161 17.270 -0.769 1.00 0.00 H new ATOM 177 N ALA A 45 0.143 14.881 -2.405 1.00 0.00 N ATOM 178 CA ALA A 45 -0.040 13.437 -2.471 1.00 0.00 C ATOM 179 C ALA A 45 0.125 12.798 -1.096 1.00 0.00 C ATOM 180 O ALA A 45 0.631 13.427 -0.167 1.00 0.00 O ATOM 181 CB ALA A 45 0.941 12.825 -3.460 1.00 0.00 C ATOM 0 H ALA A 45 0.724 15.267 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.056 13.241 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.793 11.746 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.773 13.250 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.961 13.040 -3.141 1.00 0.00 H new ATOM 187 N ILE A 46 -0.307 11.548 -0.974 1.00 0.00 N ATOM 188 CA ILE A 46 -0.207 10.825 0.287 1.00 0.00 C ATOM 189 C ILE A 46 0.277 9.396 0.066 1.00 0.00 C ATOM 190 O ILE A 46 0.005 8.790 -0.971 1.00 0.00 O ATOM 191 CB ILE A 46 -1.559 10.788 1.024 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.150 12.196 1.121 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.391 10.181 2.409 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.527 12.232 1.747 1.00 0.00 C ATOM 0 H ILE A 46 -0.730 11.015 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 46 0.518 11.361 0.900 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.249 10.163 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.478 12.824 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.203 12.629 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.355 10.162 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.009 9.164 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.688 10.781 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.883 13.261 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.214 11.631 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.477 11.829 2.759 1.00 0.00 H new ATOM 206 N LYS A 47 0.997 8.862 1.047 1.00 0.00 N ATOM 207 CA LYS A 47 1.517 7.503 0.962 1.00 0.00 C ATOM 208 C LYS A 47 0.745 6.566 1.885 1.00 0.00 C ATOM 209 O LYS A 47 0.952 6.563 3.099 1.00 0.00 O ATOM 210 CB LYS A 47 3.004 7.481 1.324 1.00 0.00 C ATOM 211 CG LYS A 47 3.565 6.081 1.506 1.00 0.00 C ATOM 212 CD LYS A 47 5.058 6.038 1.227 1.00 0.00 C ATOM 213 CE LYS A 47 5.749 4.964 2.054 1.00 0.00 C ATOM 214 NZ LYS A 47 7.109 4.653 1.534 1.00 0.00 N ATOM 0 H LYS A 47 1.234 9.350 1.911 1.00 0.00 H new ATOM 0 HA LYS A 47 1.393 7.157 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.567 7.990 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.154 8.046 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.374 5.741 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.049 5.392 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.226 5.847 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.499 7.010 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.823 5.295 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.143 4.058 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.546 3.917 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.037 4.313 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.695 5.512 1.560 1.00 0.00 H new ATOM 228 N LEU A 48 -0.145 5.770 1.302 1.00 0.00 N ATOM 229 CA LEU A 48 -0.948 4.826 2.072 1.00 0.00 C ATOM 230 C LEU A 48 -0.141 3.579 2.416 1.00 0.00 C ATOM 231 O LEU A 48 0.690 3.126 1.628 1.00 0.00 O ATOM 232 CB LEU A 48 -2.202 4.436 1.288 1.00 0.00 C ATOM 233 CG LEU A 48 -3.322 5.477 1.250 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.352 5.114 0.192 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.979 5.603 2.617 1.00 0.00 C ATOM 0 H LEU A 48 -0.329 5.759 0.299 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.244 5.312 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.909 4.209 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.602 3.517 1.716 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.887 6.442 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.141 5.866 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.871 5.076 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.783 4.140 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.773 6.348 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.400 4.641 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.235 5.911 3.351 1.00 0.00 H new ATOM 247 N PHE A 49 -0.391 3.026 3.598 1.00 0.00 N ATOM 248 CA PHE A 49 0.311 1.829 4.047 1.00 0.00 C ATOM 249 C PHE A 49 -0.676 0.744 4.465 1.00 0.00 C ATOM 250 O PHE A 49 -1.556 0.975 5.294 1.00 0.00 O ATOM 251 CB PHE A 49 1.241 2.166 5.215 1.00 0.00 C ATOM 252 CG PHE A 49 1.494 1.005 6.133 1.00 0.00 C ATOM 253 CD1 PHE A 49 0.571 0.661 7.107 1.00 0.00 C ATOM 254 CD2 PHE A 49 2.656 0.258 6.023 1.00 0.00 C ATOM 255 CE1 PHE A 49 0.801 -0.407 7.954 1.00 0.00 C ATOM 256 CE2 PHE A 49 2.891 -0.811 6.866 1.00 0.00 C ATOM 257 CZ PHE A 49 1.963 -1.143 7.834 1.00 0.00 C ATOM 0 H PHE A 49 -1.075 3.388 4.263 1.00 0.00 H new ATOM 0 HA PHE A 49 0.906 1.453 3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.193 2.521 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.808 2.985 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.339 1.234 7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.386 0.514 5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.073 -0.665 8.709 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.800 -1.387 6.768 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.146 -1.977 8.496 1.00 0.00 H new ATOM 267 N VAL A 50 -0.523 -0.442 3.885 1.00 0.00 N ATOM 268 CA VAL A 50 -1.400 -1.565 4.197 1.00 0.00 C ATOM 269 C VAL A 50 -0.710 -2.560 5.123 1.00 0.00 C ATOM 270 O VAL A 50 0.468 -2.869 4.952 1.00 0.00 O ATOM 271 CB VAL A 50 -1.851 -2.297 2.919 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.736 -3.484 3.267 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.573 -1.339 1.984 1.00 0.00 C ATOM 0 H VAL A 50 0.200 -0.650 3.196 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.276 -1.153 4.699 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.966 -2.673 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.045 -3.989 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.180 -4.180 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.618 -3.135 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.885 -1.873 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.450 -0.932 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.902 -0.525 1.708 1.00 0.00 H new ATOM 283 N GLY A 51 -1.454 -3.060 6.106 1.00 0.00 N ATOM 284 CA GLY A 51 -0.897 -4.016 7.045 1.00 0.00 C ATOM 285 C GLY A 51 -1.752 -5.260 7.181 1.00 0.00 C ATOM 286 O GLY A 51 -1.847 -5.840 8.262 1.00 0.00 O ATOM 0 H GLY A 51 -2.432 -2.820 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.103 -4.300 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.792 -3.543 8.021 1.00 0.00 H new ATOM 290 N GLN A 52 -2.377 -5.670 6.081 1.00 0.00 N ATOM 291 CA GLN A 52 -3.230 -6.853 6.084 1.00 0.00 C ATOM 292 C GLN A 52 -2.941 -7.735 4.874 1.00 0.00 C ATOM 293 O GLN A 52 -3.860 -8.251 4.237 1.00 0.00 O ATOM 294 CB GLN A 52 -4.704 -6.444 6.093 1.00 0.00 C ATOM 295 CG GLN A 52 -5.649 -7.583 6.436 1.00 0.00 C ATOM 296 CD GLN A 52 -5.576 -7.982 7.897 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.675 -7.138 8.788 1.00 0.00 O ATOM 298 NE2 GLN A 52 -5.403 -9.273 8.151 1.00 0.00 N ATOM 0 H GLN A 52 -2.309 -5.201 5.178 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.014 -7.425 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.844 -5.637 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.968 -6.046 5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.670 -7.288 6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.411 -8.447 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.326 -9.938 7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.347 -9.600 9.116 1.00 0.00 H new ATOM 307 N ILE A 53 -1.661 -7.903 4.562 1.00 0.00 N ATOM 308 CA ILE A 53 -1.252 -8.723 3.429 1.00 0.00 C ATOM 309 C ILE A 53 -0.733 -10.080 3.891 1.00 0.00 C ATOM 310 O ILE A 53 0.313 -10.187 4.531 1.00 0.00 O ATOM 311 CB ILE A 53 -0.162 -8.026 2.593 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.613 -6.619 2.199 1.00 0.00 C ATOM 313 CG2 ILE A 53 0.165 -8.850 1.357 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.488 -5.780 1.589 1.00 0.00 C ATOM 0 H ILE A 53 -0.889 -7.482 5.078 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.137 -8.867 2.809 1.00 0.00 H new ATOM 0 HB ILE A 53 0.741 -7.941 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.436 -6.696 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.000 -6.110 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.937 -8.345 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.524 -9.833 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.732 -8.963 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.096 -4.795 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.303 -5.672 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.860 -6.267 0.688 1.00 0.00 H new ATOM 326 N PRO A 54 -1.480 -11.144 3.559 1.00 0.00 N ATOM 327 CA PRO A 54 -1.114 -12.515 3.928 1.00 0.00 C ATOM 328 C PRO A 54 0.109 -13.013 3.166 1.00 0.00 C ATOM 329 O PRO A 54 0.665 -12.299 2.331 1.00 0.00 O ATOM 330 CB PRO A 54 -2.352 -13.328 3.543 1.00 0.00 C ATOM 331 CG PRO A 54 -3.009 -12.533 2.469 1.00 0.00 C ATOM 332 CD PRO A 54 -2.739 -11.090 2.798 1.00 0.00 C ATOM 0 HA PRO A 54 -0.845 -12.596 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.078 -14.322 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.016 -13.466 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.606 -12.792 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.080 -12.732 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.639 -10.484 1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.546 -10.654 3.387 1.00 0.00 H new ATOM 340 N ARG A 55 0.523 -14.241 3.459 1.00 0.00 N ATOM 341 CA ARG A 55 1.682 -14.834 2.802 1.00 0.00 C ATOM 342 C ARG A 55 1.256 -15.663 1.593 1.00 0.00 C ATOM 343 O ARG A 55 0.544 -16.657 1.729 1.00 0.00 O ATOM 344 CB ARG A 55 2.460 -15.710 3.785 1.00 0.00 C ATOM 345 CG ARG A 55 3.219 -14.918 4.837 1.00 0.00 C ATOM 346 CD ARG A 55 3.545 -15.773 6.051 1.00 0.00 C ATOM 347 NE ARG A 55 4.689 -15.254 6.796 1.00 0.00 N ATOM 348 CZ ARG A 55 5.096 -15.751 7.959 1.00 0.00 C ATOM 349 NH1 ARG A 55 4.456 -16.774 8.507 1.00 0.00 N ATOM 350 NH2 ARG A 55 6.146 -15.224 8.576 1.00 0.00 N ATOM 0 H ARG A 55 0.073 -14.845 4.147 1.00 0.00 H new ATOM 0 HA ARG A 55 2.327 -14.025 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.766 -16.387 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.165 -16.328 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.142 -14.530 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.625 -14.058 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.676 -15.817 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.754 -16.793 5.730 1.00 0.00 H new ATOM 0 HE ARG A 55 5.204 -14.467 6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.649 -17.182 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.771 -17.153 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.641 -14.437 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.458 -15.606 9.469 1.00 0.00 H new ATOM 364 N GLY A 56 1.697 -15.245 0.410 1.00 0.00 N ATOM 365 CA GLY A 56 1.351 -15.959 -0.805 1.00 0.00 C ATOM 366 C GLY A 56 1.013 -15.026 -1.950 1.00 0.00 C ATOM 367 O GLY A 56 1.223 -15.361 -3.117 1.00 0.00 O ATOM 0 H GLY A 56 2.287 -14.425 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.184 -16.599 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.500 -16.612 -0.609 1.00 0.00 H new ATOM 371 N LEU A 57 0.488 -13.851 -1.619 1.00 0.00 N ATOM 372 CA LEU A 57 0.119 -12.866 -2.629 1.00 0.00 C ATOM 373 C LEU A 57 1.173 -11.768 -2.730 1.00 0.00 C ATOM 374 O LEU A 57 1.984 -11.587 -1.821 1.00 0.00 O ATOM 375 CB LEU A 57 -1.243 -12.252 -2.297 1.00 0.00 C ATOM 376 CG LEU A 57 -2.380 -13.241 -2.039 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.605 -12.517 -1.500 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.725 -14.001 -3.312 1.00 0.00 C ATOM 0 H LEU A 57 0.308 -13.558 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 57 0.057 -13.374 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.130 -11.621 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.535 -11.600 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.048 -13.959 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.404 -13.237 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.351 -12.019 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.939 -11.776 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.536 -14.700 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.037 -13.297 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.849 -14.551 -3.656 1.00 0.00 H new ATOM 390 N ASP A 58 1.155 -11.038 -3.839 1.00 0.00 N ATOM 391 CA ASP A 58 2.107 -9.955 -4.058 1.00 0.00 C ATOM 392 C ASP A 58 1.409 -8.725 -4.629 1.00 0.00 C ATOM 393 O ASP A 58 0.186 -8.700 -4.762 1.00 0.00 O ATOM 394 CB ASP A 58 3.221 -10.410 -5.002 1.00 0.00 C ATOM 395 CG ASP A 58 3.779 -11.769 -4.627 1.00 0.00 C ATOM 396 OD1 ASP A 58 3.095 -12.783 -4.883 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.899 -11.819 -4.079 1.00 0.00 O ATOM 0 H ASP A 58 0.491 -11.176 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 58 2.544 -9.688 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.837 -10.447 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.025 -9.675 -4.991 1.00 0.00 H new ATOM 402 N GLU A 59 2.196 -7.707 -4.964 1.00 0.00 N ATOM 403 CA GLU A 59 1.653 -6.473 -5.519 1.00 0.00 C ATOM 404 C GLU A 59 0.804 -6.759 -6.755 1.00 0.00 C ATOM 405 O GLU A 59 -0.010 -5.933 -7.165 1.00 0.00 O ATOM 406 CB GLU A 59 2.784 -5.507 -5.877 1.00 0.00 C ATOM 407 CG GLU A 59 3.718 -5.207 -4.716 1.00 0.00 C ATOM 408 CD GLU A 59 4.891 -6.165 -4.649 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.816 -7.239 -5.282 1.00 0.00 O ATOM 410 OE2 GLU A 59 5.883 -5.841 -3.963 1.00 0.00 O ATOM 0 H GLU A 59 3.211 -7.713 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 59 1.018 -6.013 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.363 -5.927 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.353 -4.573 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.091 -4.187 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.158 -5.258 -3.782 1.00 0.00 H new ATOM 417 N GLN A 60 1.003 -7.935 -7.342 1.00 0.00 N ATOM 418 CA GLN A 60 0.257 -8.330 -8.531 1.00 0.00 C ATOM 419 C GLN A 60 -1.195 -8.644 -8.184 1.00 0.00 C ATOM 420 O GLN A 60 -2.078 -8.564 -9.038 1.00 0.00 O ATOM 421 CB GLN A 60 0.911 -9.547 -9.188 1.00 0.00 C ATOM 422 CG GLN A 60 0.989 -10.762 -8.277 1.00 0.00 C ATOM 423 CD GLN A 60 2.026 -11.769 -8.735 1.00 0.00 C ATOM 424 OE1 GLN A 60 3.275 -11.556 -8.338 1.00 0.00 O flip ATOM 425 NE2 GLN A 60 1.707 -12.728 -9.438 1.00 0.00 N flip ATOM 0 H GLN A 60 1.674 -8.630 -7.014 1.00 0.00 H new ATOM 0 HA GLN A 60 0.272 -7.495 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.350 -9.811 -10.084 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.917 -9.279 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.226 -10.437 -7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.012 -11.245 -8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.735 -12.853 -9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.415 -13.398 -9.739 1.00 0.00 H new ATOM 434 N ASP A 61 -1.433 -9.000 -6.927 1.00 0.00 N ATOM 435 CA ASP A 61 -2.779 -9.325 -6.467 1.00 0.00 C ATOM 436 C ASP A 61 -3.405 -8.140 -5.740 1.00 0.00 C ATOM 437 O ASP A 61 -4.606 -8.131 -5.464 1.00 0.00 O ATOM 438 CB ASP A 61 -2.744 -10.545 -5.544 1.00 0.00 C ATOM 439 CG ASP A 61 -4.101 -11.209 -5.412 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.413 -12.093 -6.237 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.851 -10.845 -4.482 1.00 0.00 O ATOM 0 H ASP A 61 -0.713 -9.071 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.389 -9.556 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.025 -11.268 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.394 -10.241 -4.558 1.00 0.00 H new ATOM 446 N LEU A 62 -2.586 -7.141 -5.431 1.00 0.00 N ATOM 447 CA LEU A 62 -3.059 -5.950 -4.735 1.00 0.00 C ATOM 448 C LEU A 62 -3.367 -4.828 -5.722 1.00 0.00 C ATOM 449 O LEU A 62 -4.281 -4.032 -5.508 1.00 0.00 O ATOM 450 CB LEU A 62 -2.015 -5.479 -3.720 1.00 0.00 C ATOM 451 CG LEU A 62 -1.570 -6.514 -2.686 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.336 -6.028 -1.942 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.700 -6.813 -1.711 1.00 0.00 C ATOM 0 H LEU A 62 -1.590 -7.132 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.978 -6.209 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.135 -5.138 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.416 -4.615 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.314 -7.436 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.034 -6.777 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.476 -5.865 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.564 -5.093 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.366 -7.551 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.987 -5.897 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.558 -7.205 -2.257 1.00 0.00 H new ATOM 465 N LYS A 63 -2.600 -4.773 -6.805 1.00 0.00 N ATOM 466 CA LYS A 63 -2.792 -3.752 -7.828 1.00 0.00 C ATOM 467 C LYS A 63 -4.250 -3.695 -8.272 1.00 0.00 C ATOM 468 O LYS A 63 -4.844 -2.624 -8.397 1.00 0.00 O ATOM 469 CB LYS A 63 -1.891 -4.033 -9.033 1.00 0.00 C ATOM 470 CG LYS A 63 -1.413 -2.777 -9.741 1.00 0.00 C ATOM 471 CD LYS A 63 -0.293 -3.082 -10.722 1.00 0.00 C ATOM 472 CE LYS A 63 1.069 -3.029 -10.047 1.00 0.00 C ATOM 473 NZ LYS A 63 1.313 -4.226 -9.196 1.00 0.00 N ATOM 0 H LYS A 63 -1.839 -5.424 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.523 -2.787 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.025 -4.606 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.433 -4.657 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.247 -2.317 -10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.065 -2.053 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.447 -4.070 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.322 -2.365 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.848 -2.958 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.137 -2.129 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.335 -4.411 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.941 -4.054 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.833 -5.050 -9.611 1.00 0.00 H new ATOM 487 N PRO A 64 -4.842 -4.873 -8.516 1.00 0.00 N ATOM 488 CA PRO A 64 -6.239 -4.983 -8.948 1.00 0.00 C ATOM 489 C PRO A 64 -7.178 -4.139 -8.092 1.00 0.00 C ATOM 490 O PRO A 64 -7.913 -3.295 -8.607 1.00 0.00 O ATOM 491 CB PRO A 64 -6.549 -6.471 -8.772 1.00 0.00 C ATOM 492 CG PRO A 64 -5.228 -7.150 -8.892 1.00 0.00 C ATOM 493 CD PRO A 64 -4.195 -6.189 -8.387 1.00 0.00 C ATOM 0 HA PRO A 64 -6.380 -4.622 -9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.009 -6.668 -7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.246 -6.823 -9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.214 -8.072 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.027 -7.423 -9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.924 -6.401 -7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.278 -6.243 -8.974 1.00 0.00 H new ATOM 501 N LEU A 65 -7.149 -4.371 -6.785 1.00 0.00 N ATOM 502 CA LEU A 65 -7.998 -3.631 -5.857 1.00 0.00 C ATOM 503 C LEU A 65 -7.682 -2.139 -5.901 1.00 0.00 C ATOM 504 O LEU A 65 -8.566 -1.313 -6.129 1.00 0.00 O ATOM 505 CB LEU A 65 -7.815 -4.161 -4.434 1.00 0.00 C ATOM 506 CG LEU A 65 -8.521 -5.479 -4.113 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.119 -5.977 -2.733 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.031 -5.310 -4.201 1.00 0.00 C ATOM 0 H LEU A 65 -6.547 -5.066 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.035 -3.773 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.748 -4.289 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.170 -3.402 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.215 -6.222 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.631 -6.916 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.041 -6.137 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.396 -5.236 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.517 -6.258 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.355 -4.552 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.304 -4.999 -5.209 1.00 0.00 H new ATOM 520 N PHE A 66 -6.415 -1.802 -5.684 1.00 0.00 N ATOM 521 CA PHE A 66 -5.981 -0.409 -5.700 1.00 0.00 C ATOM 522 C PHE A 66 -6.341 0.257 -7.025 1.00 0.00 C ATOM 523 O PHE A 66 -6.581 1.463 -7.079 1.00 0.00 O ATOM 524 CB PHE A 66 -4.472 -0.320 -5.465 1.00 0.00 C ATOM 525 CG PHE A 66 -4.047 -0.809 -4.110 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.731 -0.416 -2.971 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.963 -1.662 -3.975 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.341 -0.864 -1.723 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.569 -2.114 -2.729 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.260 -1.715 -1.602 1.00 0.00 C ATOM 0 H PHE A 66 -5.671 -2.474 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.498 0.116 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.958 -0.902 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.154 0.716 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.578 0.248 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.420 -1.977 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.881 -0.549 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.722 -2.778 -2.637 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.956 -2.068 -0.628 1.00 0.00 H new ATOM 540 N GLU A 67 -6.376 -0.538 -8.090 1.00 0.00 N ATOM 541 CA GLU A 67 -6.704 -0.024 -9.415 1.00 0.00 C ATOM 542 C GLU A 67 -8.205 0.222 -9.546 1.00 0.00 C ATOM 543 O GLU A 67 -8.660 0.844 -10.505 1.00 0.00 O ATOM 544 CB GLU A 67 -6.241 -1.004 -10.495 1.00 0.00 C ATOM 545 CG GLU A 67 -4.771 -0.865 -10.852 1.00 0.00 C ATOM 546 CD GLU A 67 -4.461 -1.361 -12.251 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.148 -2.296 -12.714 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.532 -0.816 -12.883 1.00 0.00 O ATOM 0 H GLU A 67 -6.182 -1.539 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.184 0.925 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.429 -2.022 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.840 -0.852 -11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.478 0.182 -10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.172 -1.422 -10.132 1.00 0.00 H new ATOM 555 N GLU A 68 -8.967 -0.272 -8.574 1.00 0.00 N ATOM 556 CA GLU A 68 -10.415 -0.106 -8.582 1.00 0.00 C ATOM 557 C GLU A 68 -10.806 1.293 -8.115 1.00 0.00 C ATOM 558 O GLU A 68 -11.929 1.744 -8.341 1.00 0.00 O ATOM 559 CB GLU A 68 -11.076 -1.158 -7.688 1.00 0.00 C ATOM 560 CG GLU A 68 -12.574 -1.289 -7.906 1.00 0.00 C ATOM 561 CD GLU A 68 -13.286 -1.899 -6.715 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.316 -1.254 -5.646 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.813 -3.023 -6.851 1.00 0.00 O ATOM 0 H GLU A 68 -8.605 -0.789 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.764 -0.238 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.605 -2.124 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.890 -0.904 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.995 -0.305 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.757 -1.904 -8.787 1.00 0.00 H new ATOM 570 N PHE A 69 -9.871 1.974 -7.461 1.00 0.00 N ATOM 571 CA PHE A 69 -10.117 3.321 -6.960 1.00 0.00 C ATOM 572 C PHE A 69 -9.396 4.359 -7.814 1.00 0.00 C ATOM 573 O PHE A 69 -9.991 5.345 -8.247 1.00 0.00 O ATOM 574 CB PHE A 69 -9.662 3.437 -5.503 1.00 0.00 C ATOM 575 CG PHE A 69 -10.372 2.493 -4.576 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.644 2.784 -4.110 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.768 1.313 -4.172 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.299 1.917 -3.256 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.418 0.442 -3.318 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.686 0.744 -2.861 1.00 0.00 C ATOM 0 H PHE A 69 -8.936 1.615 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.189 3.512 -7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.590 3.248 -5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.823 4.459 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.129 3.699 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.778 1.071 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.289 2.156 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.935 -0.473 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.197 0.064 -2.196 1.00 0.00 H new ATOM 590 N GLY A 70 -8.108 4.130 -8.052 1.00 0.00 N ATOM 591 CA GLY A 70 -7.325 5.054 -8.853 1.00 0.00 C ATOM 592 C GLY A 70 -6.035 4.436 -9.355 1.00 0.00 C ATOM 593 O GLY A 70 -5.672 3.330 -8.956 1.00 0.00 O ATOM 0 H GLY A 70 -7.593 3.321 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.920 5.387 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.094 5.939 -8.260 1.00 0.00 H new ATOM 597 N ARG A 71 -5.342 5.152 -10.234 1.00 0.00 N ATOM 598 CA ARG A 71 -4.086 4.666 -10.794 1.00 0.00 C ATOM 599 C ARG A 71 -2.966 4.740 -9.761 1.00 0.00 C ATOM 600 O ARG A 71 -2.650 5.815 -9.250 1.00 0.00 O ATOM 601 CB ARG A 71 -3.707 5.480 -12.033 1.00 0.00 C ATOM 602 CG ARG A 71 -2.833 4.719 -13.017 1.00 0.00 C ATOM 603 CD ARG A 71 -1.911 5.656 -13.782 1.00 0.00 C ATOM 604 NE ARG A 71 -0.896 4.927 -14.539 1.00 0.00 N ATOM 605 CZ ARG A 71 0.173 5.503 -15.078 1.00 0.00 C ATOM 606 NH1 ARG A 71 0.367 6.808 -14.943 1.00 0.00 N ATOM 607 NH2 ARG A 71 1.051 4.773 -15.753 1.00 0.00 N ATOM 0 H ARG A 71 -5.628 6.070 -10.574 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.224 3.623 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.617 5.799 -12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.184 6.383 -11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.239 3.979 -12.481 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.463 4.173 -13.719 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.501 6.269 -14.463 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.424 6.336 -13.083 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.015 3.921 -14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.306 7.373 -14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.189 7.247 -15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.906 3.769 -15.858 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.872 5.216 -16.167 1.00 0.00 H new ATOM 621 N ILE A 72 -2.370 3.592 -9.459 1.00 0.00 N ATOM 622 CA ILE A 72 -1.285 3.527 -8.488 1.00 0.00 C ATOM 623 C ILE A 72 -0.044 4.250 -9.000 1.00 0.00 C ATOM 624 O ILE A 72 0.265 4.206 -10.191 1.00 0.00 O ATOM 625 CB ILE A 72 -0.914 2.070 -8.154 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.164 1.281 -7.757 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.121 2.029 -7.039 1.00 0.00 C ATOM 628 CD1 ILE A 72 -1.912 -0.199 -7.577 1.00 0.00 C ATOM 0 H ILE A 72 -2.620 2.694 -9.873 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.643 4.019 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.482 1.608 -9.042 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.562 1.689 -6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.930 1.421 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.373 0.993 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.019 2.560 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.286 2.505 -6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.841 -0.695 -7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.543 -0.622 -8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.170 -0.349 -6.793 1.00 0.00 H new ATOM 640 N TYR A 73 0.664 4.914 -8.094 1.00 0.00 N ATOM 641 CA TYR A 73 1.871 5.648 -8.454 1.00 0.00 C ATOM 642 C TYR A 73 3.121 4.842 -8.113 1.00 0.00 C ATOM 643 O TYR A 73 4.148 4.959 -8.780 1.00 0.00 O ATOM 644 CB TYR A 73 1.908 6.997 -7.733 1.00 0.00 C ATOM 645 CG TYR A 73 3.142 7.814 -8.040 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.383 7.455 -7.529 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.067 8.947 -8.841 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.513 8.199 -7.807 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.192 9.697 -9.126 1.00 0.00 C ATOM 650 CZ TYR A 73 5.412 9.319 -8.606 1.00 0.00 C ATOM 651 OH TYR A 73 6.535 10.064 -8.886 1.00 0.00 O ATOM 0 H TYR A 73 0.423 4.959 -7.104 1.00 0.00 H new ATOM 0 HA TYR A 73 1.853 5.819 -9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.024 7.572 -8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.854 6.826 -6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.466 6.579 -6.903 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.113 9.247 -9.248 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.470 7.906 -7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.116 10.574 -9.752 1.00 0.00 H new ATOM 0 HH TYR A 73 6.292 10.818 -9.462 1.00 0.00 H new ATOM 661 N GLU A 74 3.023 4.024 -7.070 1.00 0.00 N ATOM 662 CA GLU A 74 4.145 3.198 -6.639 1.00 0.00 C ATOM 663 C GLU A 74 3.713 2.217 -5.553 1.00 0.00 C ATOM 664 O GLU A 74 3.171 2.615 -4.521 1.00 0.00 O ATOM 665 CB GLU A 74 5.286 4.078 -6.124 1.00 0.00 C ATOM 666 CG GLU A 74 6.430 3.291 -5.506 1.00 0.00 C ATOM 667 CD GLU A 74 7.636 4.157 -5.200 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.688 4.730 -4.092 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.527 4.263 -6.069 1.00 0.00 O ATOM 0 H GLU A 74 2.179 3.915 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 74 4.496 2.628 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.672 4.677 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.892 4.773 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.085 2.817 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.725 2.491 -6.186 1.00 0.00 H new ATOM 676 N LEU A 75 3.957 0.933 -5.793 1.00 0.00 N ATOM 677 CA LEU A 75 3.594 -0.106 -4.836 1.00 0.00 C ATOM 678 C LEU A 75 4.807 -0.954 -4.466 1.00 0.00 C ATOM 679 O LEU A 75 5.519 -1.453 -5.338 1.00 0.00 O ATOM 680 CB LEU A 75 2.493 -0.997 -5.414 1.00 0.00 C ATOM 681 CG LEU A 75 1.854 -1.990 -4.443 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.318 -1.267 -3.217 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.744 -2.770 -5.132 1.00 0.00 C ATOM 0 H LEU A 75 4.404 0.587 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 75 3.224 0.380 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.708 -0.356 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.908 -1.556 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 75 2.619 -2.695 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.867 -1.989 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.136 -0.754 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.567 -0.539 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.300 -3.472 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.021 -2.079 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.156 -3.319 -5.979 1.00 0.00 H new ATOM 695 N THR A 76 5.037 -1.114 -3.167 1.00 0.00 N ATOM 696 CA THR A 76 6.162 -1.902 -2.681 1.00 0.00 C ATOM 697 C THR A 76 5.783 -2.690 -1.433 1.00 0.00 C ATOM 698 O THR A 76 5.098 -2.179 -0.547 1.00 0.00 O ATOM 699 CB THR A 76 7.376 -1.009 -2.361 1.00 0.00 C ATOM 700 OG1 THR A 76 7.972 -0.539 -3.575 1.00 0.00 O ATOM 701 CG2 THR A 76 8.410 -1.772 -1.546 1.00 0.00 C ATOM 0 H THR A 76 4.458 -0.708 -2.432 1.00 0.00 H new ATOM 0 HA THR A 76 6.430 -2.596 -3.478 1.00 0.00 H new ATOM 0 HB THR A 76 7.028 -0.159 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.742 0.029 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.258 -1.121 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.962 -2.104 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.752 -2.639 -2.112 1.00 0.00 H new ATOM 709 N VAL A 77 6.235 -3.939 -1.368 1.00 0.00 N ATOM 710 CA VAL A 77 5.944 -4.799 -0.226 1.00 0.00 C ATOM 711 C VAL A 77 7.113 -4.826 0.752 1.00 0.00 C ATOM 712 O VAL A 77 8.273 -4.918 0.349 1.00 0.00 O ATOM 713 CB VAL A 77 5.629 -6.239 -0.674 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.363 -7.126 0.533 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.445 -6.252 -1.628 1.00 0.00 C ATOM 0 H VAL A 77 6.804 -4.378 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 77 5.068 -4.382 0.271 1.00 0.00 H new ATOM 0 HB VAL A 77 6.496 -6.636 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.142 -8.140 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.243 -7.140 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.512 -6.735 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.236 -7.277 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.570 -5.837 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.679 -5.651 -2.507 1.00 0.00 H new ATOM 725 N LEU A 78 6.800 -4.747 2.041 1.00 0.00 N ATOM 726 CA LEU A 78 7.824 -4.763 3.079 1.00 0.00 C ATOM 727 C LEU A 78 8.145 -6.192 3.505 1.00 0.00 C ATOM 728 O LEU A 78 7.255 -7.038 3.602 1.00 0.00 O ATOM 729 CB LEU A 78 7.365 -3.949 4.290 1.00 0.00 C ATOM 730 CG LEU A 78 7.333 -2.432 4.105 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.373 -1.793 5.097 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.729 -1.846 4.260 1.00 0.00 C ATOM 0 H LEU A 78 5.845 -4.671 2.392 1.00 0.00 H new ATOM 0 HA LEU A 78 8.728 -4.313 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.365 -4.282 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.023 -4.179 5.128 1.00 0.00 H new ATOM 0 HG LEU A 78 6.979 -2.216 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.364 -0.713 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.370 -2.189 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.697 -2.018 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.687 -0.765 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.110 -2.073 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.391 -2.280 3.510 1.00 0.00 H new ATOM 744 N LYS A 79 9.422 -6.455 3.761 1.00 0.00 N ATOM 745 CA LYS A 79 9.861 -7.781 4.181 1.00 0.00 C ATOM 746 C LYS A 79 10.879 -7.684 5.313 1.00 0.00 C ATOM 747 O LYS A 79 11.387 -6.603 5.613 1.00 0.00 O ATOM 748 CB LYS A 79 10.469 -8.538 2.998 1.00 0.00 C ATOM 749 CG LYS A 79 9.434 -9.158 2.076 1.00 0.00 C ATOM 750 CD LYS A 79 10.070 -9.695 0.804 1.00 0.00 C ATOM 751 CE LYS A 79 9.105 -9.631 -0.370 1.00 0.00 C ATOM 752 NZ LYS A 79 7.932 -10.527 -0.174 1.00 0.00 N ATOM 0 H LYS A 79 10.171 -5.767 3.685 1.00 0.00 H new ATOM 0 HA LYS A 79 8.990 -8.326 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.093 -7.855 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.122 -9.324 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.920 -9.966 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.680 -8.413 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.966 -9.119 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.386 -10.726 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.760 -8.605 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.627 -9.911 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.316 -10.480 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.260 -11.505 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.399 -10.223 0.666 1.00 0.00 H new ATOM 766 N ASP A 80 11.174 -8.819 5.936 1.00 0.00 N ATOM 767 CA ASP A 80 12.134 -8.862 7.034 1.00 0.00 C ATOM 768 C ASP A 80 13.564 -8.785 6.508 1.00 0.00 C ATOM 769 O ASP A 80 13.787 -8.652 5.305 1.00 0.00 O ATOM 770 CB ASP A 80 11.946 -10.140 7.853 1.00 0.00 C ATOM 771 CG ASP A 80 10.811 -10.027 8.851 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.039 -9.478 9.949 1.00 0.00 O ATOM 773 OD2 ASP A 80 9.694 -10.487 8.534 1.00 0.00 O ATOM 0 H ASP A 80 10.763 -9.722 5.700 1.00 0.00 H new ATOM 0 HA ASP A 80 11.955 -7.999 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.752 -10.974 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.871 -10.367 8.383 1.00 0.00 H new ATOM 778 N ARG A 81 14.528 -8.869 7.418 1.00 0.00 N ATOM 779 CA ARG A 81 15.937 -8.806 7.047 1.00 0.00 C ATOM 780 C ARG A 81 16.666 -10.080 7.463 1.00 0.00 C ATOM 781 O ARG A 81 17.223 -10.791 6.625 1.00 0.00 O ATOM 782 CB ARG A 81 16.603 -7.590 7.694 1.00 0.00 C ATOM 783 CG ARG A 81 16.300 -6.281 6.984 1.00 0.00 C ATOM 784 CD ARG A 81 16.458 -5.091 7.918 1.00 0.00 C ATOM 785 NE ARG A 81 15.586 -3.981 7.543 1.00 0.00 N ATOM 786 CZ ARG A 81 15.176 -3.048 8.396 1.00 0.00 C ATOM 787 NH1 ARG A 81 15.559 -3.091 9.664 1.00 0.00 N ATOM 788 NH2 ARG A 81 14.383 -2.070 7.979 1.00 0.00 N ATOM 0 H ARG A 81 14.360 -8.981 8.418 1.00 0.00 H new ATOM 0 HA ARG A 81 15.997 -8.711 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.275 -7.516 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.682 -7.743 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.968 -6.166 6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.283 -6.305 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.233 -5.399 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.495 -4.757 7.907 1.00 0.00 H new ATOM 0 HE ARG A 81 15.275 -3.918 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.170 -3.841 9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.243 -2.374 10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.088 -2.034 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.068 -1.354 8.634 1.00 0.00 H new ATOM 802 N LEU A 82 16.659 -10.362 8.761 1.00 0.00 N ATOM 803 CA LEU A 82 17.320 -11.551 9.289 1.00 0.00 C ATOM 804 C LEU A 82 16.707 -12.820 8.706 1.00 0.00 C ATOM 805 O LEU A 82 17.415 -13.775 8.386 1.00 0.00 O ATOM 806 CB LEU A 82 17.221 -11.578 10.815 1.00 0.00 C ATOM 807 CG LEU A 82 18.125 -10.597 11.564 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.488 -10.185 12.882 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.497 -11.211 11.801 1.00 0.00 C ATOM 0 H LEU A 82 16.203 -9.784 9.467 1.00 0.00 H new ATOM 0 HA LEU A 82 18.370 -11.511 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.187 -11.375 11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.452 -12.587 11.156 1.00 0.00 H new ATOM 0 HG LEU A 82 18.250 -9.705 10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.145 -9.487 13.401 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.529 -9.705 12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.333 -11.067 13.503 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.127 -10.499 12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.392 -12.119 12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.957 -11.455 10.843 1.00 0.00 H new ATOM 821 N THR A 83 15.385 -12.822 8.568 1.00 0.00 N ATOM 822 CA THR A 83 14.676 -13.973 8.022 1.00 0.00 C ATOM 823 C THR A 83 14.300 -13.745 6.562 1.00 0.00 C ATOM 824 O THR A 83 14.488 -14.620 5.719 1.00 0.00 O ATOM 825 CB THR A 83 13.399 -14.279 8.827 1.00 0.00 C ATOM 826 OG1 THR A 83 12.501 -13.166 8.765 1.00 0.00 O ATOM 827 CG2 THR A 83 13.735 -14.586 10.279 1.00 0.00 C ATOM 0 H THR A 83 14.784 -12.040 8.827 1.00 0.00 H new ATOM 0 HA THR A 83 15.354 -14.824 8.091 1.00 0.00 H new ATOM 0 HB THR A 83 12.921 -15.155 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.691 -13.370 9.278 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.817 -14.799 10.828 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.394 -15.453 10.324 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.234 -13.727 10.727 1.00 0.00 H new ATOM 835 N GLY A 84 13.767 -12.562 6.270 1.00 0.00 N ATOM 836 CA GLY A 84 13.374 -12.241 4.911 1.00 0.00 C ATOM 837 C GLY A 84 12.022 -12.821 4.546 1.00 0.00 C ATOM 838 O GLY A 84 11.751 -13.095 3.376 1.00 0.00 O ATOM 0 H GLY A 84 13.601 -11.821 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.346 -11.158 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.127 -12.619 4.219 1.00 0.00 H new ATOM 842 N LEU A 85 11.172 -13.012 5.548 1.00 0.00 N ATOM 843 CA LEU A 85 9.840 -13.566 5.327 1.00 0.00 C ATOM 844 C LEU A 85 8.801 -12.456 5.213 1.00 0.00 C ATOM 845 O LEU A 85 8.779 -11.524 6.018 1.00 0.00 O ATOM 846 CB LEU A 85 9.466 -14.515 6.467 1.00 0.00 C ATOM 847 CG LEU A 85 10.194 -15.859 6.488 1.00 0.00 C ATOM 848 CD1 LEU A 85 9.956 -16.575 7.809 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.746 -16.727 5.321 1.00 0.00 C ATOM 0 H LEU A 85 11.381 -12.792 6.522 1.00 0.00 H new ATOM 0 HA LEU A 85 9.855 -14.122 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.656 -14.007 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.394 -14.706 6.417 1.00 0.00 H new ATOM 0 HG LEU A 85 11.263 -15.672 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.482 -17.530 7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.327 -15.959 8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.888 -16.750 7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.275 -17.680 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.673 -16.905 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.969 -16.219 4.383 1.00 0.00 H new ATOM 861 N HIS A 86 7.938 -12.562 4.207 1.00 0.00 N ATOM 862 CA HIS A 86 6.893 -11.568 3.988 1.00 0.00 C ATOM 863 C HIS A 86 6.227 -11.180 5.305 1.00 0.00 C ATOM 864 O HIS A 86 5.337 -11.877 5.792 1.00 0.00 O ATOM 865 CB HIS A 86 5.845 -12.105 3.013 1.00 0.00 C ATOM 866 CG HIS A 86 4.934 -11.047 2.471 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.270 -10.143 3.272 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.579 -10.751 1.198 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.545 -9.337 2.516 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.715 -9.685 1.254 1.00 0.00 N ATOM 0 H HIS A 86 7.942 -13.326 3.531 1.00 0.00 H new ATOM 0 HA HIS A 86 7.356 -10.679 3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.351 -12.597 2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.247 -12.864 3.517 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.913 -11.259 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.920 -8.531 2.870 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.276 -9.235 0.451 1.00 0.00 H new ATOM 879 N LYS A 87 6.666 -10.064 5.878 1.00 0.00 N ATOM 880 CA LYS A 87 6.113 -9.583 7.139 1.00 0.00 C ATOM 881 C LYS A 87 4.590 -9.522 7.077 1.00 0.00 C ATOM 882 O LYS A 87 3.904 -9.953 8.004 1.00 0.00 O ATOM 883 CB LYS A 87 6.676 -8.199 7.471 1.00 0.00 C ATOM 884 CG LYS A 87 8.142 -8.218 7.867 1.00 0.00 C ATOM 885 CD LYS A 87 8.807 -6.877 7.609 1.00 0.00 C ATOM 886 CE LYS A 87 8.382 -5.837 8.635 1.00 0.00 C ATOM 887 NZ LYS A 87 8.920 -6.143 9.990 1.00 0.00 N ATOM 0 H LYS A 87 7.403 -9.476 5.489 1.00 0.00 H new ATOM 0 HA LYS A 87 6.400 -10.283 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.550 -7.548 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.094 -7.765 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.231 -8.472 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.661 -8.996 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.890 -6.996 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.550 -6.529 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.729 -4.853 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.294 -5.792 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.847 -5.298 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.372 -6.919 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.918 -6.427 9.912 1.00 0.00 H new ATOM 901 N GLY A 88 4.067 -8.985 5.979 1.00 0.00 N ATOM 902 CA GLY A 88 2.629 -8.880 5.817 1.00 0.00 C ATOM 903 C GLY A 88 2.165 -7.443 5.681 1.00 0.00 C ATOM 904 O GLY A 88 1.088 -7.084 6.158 1.00 0.00 O ATOM 0 H GLY A 88 4.614 -8.621 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.324 -9.442 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.135 -9.339 6.674 1.00 0.00 H new ATOM 908 N CYS A 89 2.979 -6.620 5.030 1.00 0.00 N ATOM 909 CA CYS A 89 2.647 -5.213 4.835 1.00 0.00 C ATOM 910 C CYS A 89 3.252 -4.686 3.539 1.00 0.00 C ATOM 911 O CYS A 89 4.149 -5.303 2.965 1.00 0.00 O ATOM 912 CB CYS A 89 3.143 -4.381 6.019 1.00 0.00 C ATOM 913 SG CYS A 89 2.467 -4.894 7.616 1.00 0.00 S ATOM 0 H CYS A 89 3.873 -6.902 4.628 1.00 0.00 H new ATOM 0 HA CYS A 89 1.562 -5.127 4.769 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.231 -4.440 6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.887 -3.335 5.847 1.00 0.00 H new ATOM 0 HG CYS A 89 1.566 -5.813 7.431 1.00 0.00 H new ATOM 919 N ALA A 90 2.755 -3.541 3.081 1.00 0.00 N ATOM 920 CA ALA A 90 3.248 -2.931 1.853 1.00 0.00 C ATOM 921 C ALA A 90 2.908 -1.446 1.803 1.00 0.00 C ATOM 922 O ALA A 90 1.872 -1.018 2.312 1.00 0.00 O ATOM 923 CB ALA A 90 2.671 -3.647 0.640 1.00 0.00 C ATOM 0 H ALA A 90 2.011 -3.018 3.543 1.00 0.00 H new ATOM 0 HA ALA A 90 4.333 -3.029 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.047 -3.181 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.968 -4.695 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.583 -3.578 0.660 1.00 0.00 H new ATOM 929 N PHE A 91 3.787 -0.663 1.187 1.00 0.00 N ATOM 930 CA PHE A 91 3.581 0.777 1.072 1.00 0.00 C ATOM 931 C PHE A 91 2.962 1.132 -0.276 1.00 0.00 C ATOM 932 O PHE A 91 3.584 0.951 -1.324 1.00 0.00 O ATOM 933 CB PHE A 91 4.907 1.519 1.249 1.00 0.00 C ATOM 934 CG PHE A 91 5.312 1.689 2.686 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.446 2.267 3.600 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.559 1.270 3.122 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.817 2.425 4.922 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.935 1.425 4.443 1.00 0.00 C ATOM 939 CZ PHE A 91 6.062 2.002 5.344 1.00 0.00 C ATOM 0 H PHE A 91 4.649 -1.001 0.759 1.00 0.00 H new ATOM 0 HA PHE A 91 2.893 1.084 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.691 0.977 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.829 2.501 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.470 2.598 3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.245 0.817 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.134 2.879 5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.910 1.095 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.352 2.122 6.377 1.00 0.00 H new ATOM 949 N LEU A 92 1.734 1.637 -0.242 1.00 0.00 N ATOM 950 CA LEU A 92 1.029 2.017 -1.462 1.00 0.00 C ATOM 951 C LEU A 92 0.978 3.535 -1.610 1.00 0.00 C ATOM 952 O LEU A 92 0.725 4.256 -0.644 1.00 0.00 O ATOM 953 CB LEU A 92 -0.389 1.446 -1.454 1.00 0.00 C ATOM 954 CG LEU A 92 -1.351 2.021 -2.494 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.102 1.391 -3.856 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.794 1.809 -2.062 1.00 0.00 C ATOM 0 H LEU A 92 1.206 1.793 0.616 1.00 0.00 H new ATOM 0 HA LEU A 92 1.574 1.605 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.326 0.368 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.818 1.606 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.171 3.093 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.796 1.812 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.078 1.595 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.253 0.313 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.464 2.225 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.988 0.742 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.965 2.308 -1.108 1.00 0.00 H new ATOM 968 N THR A 93 1.217 4.014 -2.826 1.00 0.00 N ATOM 969 CA THR A 93 1.197 5.445 -3.102 1.00 0.00 C ATOM 970 C THR A 93 0.325 5.760 -4.312 1.00 0.00 C ATOM 971 O THR A 93 0.521 5.203 -5.392 1.00 0.00 O ATOM 972 CB THR A 93 2.616 5.990 -3.350 1.00 0.00 C ATOM 973 OG1 THR A 93 3.441 5.748 -2.205 1.00 0.00 O ATOM 974 CG2 THR A 93 2.579 7.481 -3.649 1.00 0.00 C ATOM 0 H THR A 93 1.427 3.431 -3.636 1.00 0.00 H new ATOM 0 HA THR A 93 0.779 5.930 -2.220 1.00 0.00 H new ATOM 0 HB THR A 93 3.034 5.473 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.342 6.096 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.593 7.843 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.975 7.659 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.143 8.011 -2.802 1.00 0.00 H new ATOM 982 N TYR A 94 -0.638 6.656 -4.124 1.00 0.00 N ATOM 983 CA TYR A 94 -1.541 7.044 -5.201 1.00 0.00 C ATOM 984 C TYR A 94 -1.048 8.308 -5.897 1.00 0.00 C ATOM 985 O TYR A 94 -0.381 9.146 -5.288 1.00 0.00 O ATOM 986 CB TYR A 94 -2.953 7.266 -4.656 1.00 0.00 C ATOM 987 CG TYR A 94 -3.800 6.013 -4.640 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.263 5.450 -5.823 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.138 5.394 -3.443 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.038 4.306 -5.814 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.911 4.249 -3.425 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.359 3.709 -4.613 1.00 0.00 C ATOM 993 OH TYR A 94 -6.130 2.570 -4.598 1.00 0.00 O ATOM 0 H TYR A 94 -0.813 7.127 -3.236 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.563 6.235 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.884 7.661 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.452 8.024 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.013 5.914 -6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.791 5.815 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.390 3.882 -6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.163 3.779 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.324 2.294 -5.518 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.381 8.440 -7.176 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.973 9.602 -7.957 1.00 0.00 C ATOM 1005 C CYS A 95 -1.816 10.822 -7.598 1.00 0.00 C ATOM 1006 O CYS A 95 -1.348 11.957 -7.677 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.093 9.306 -9.453 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.772 8.908 -9.993 1.00 0.00 S ATOM 0 H CYS A 95 -1.933 7.756 -7.694 1.00 0.00 H new ATOM 0 HA CYS A 95 0.068 9.820 -7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.738 10.171 -10.013 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.436 8.473 -9.702 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.003 7.644 -9.797 1.00 0.00 H new ATOM 1014 N ALA A 96 -3.062 10.578 -7.206 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.970 11.656 -6.835 1.00 0.00 C ATOM 1016 C ALA A 96 -4.301 11.608 -5.347 1.00 0.00 C ATOM 1017 O ALA A 96 -4.405 10.531 -4.759 1.00 0.00 O ATOM 1018 CB ALA A 96 -5.244 11.582 -7.663 1.00 0.00 C ATOM 0 H ALA A 96 -3.465 9.644 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.471 12.603 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.913 12.393 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.996 11.674 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.737 10.626 -7.488 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.464 12.780 -4.743 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.781 12.871 -3.323 1.00 0.00 C ATOM 1026 C ARG A 97 -6.123 12.210 -3.022 1.00 0.00 C ATOM 1027 O ARG A 97 -6.331 11.671 -1.935 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.810 14.334 -2.877 1.00 0.00 C ATOM 1029 CG ARG A 97 -6.067 15.076 -3.301 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.794 16.555 -3.521 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.892 17.217 -4.220 1.00 0.00 N ATOM 1032 CZ ARG A 97 -6.856 18.486 -4.611 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -5.783 19.227 -4.372 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -7.895 19.017 -5.243 1.00 0.00 N ATOM 0 H ARG A 97 -4.382 13.680 -5.215 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.004 12.345 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.723 14.376 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.940 14.847 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.458 14.637 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.836 14.957 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.632 17.041 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.875 16.672 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.733 16.675 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.982 18.823 -3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.758 20.201 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.723 18.451 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.866 19.992 -5.543 1.00 0.00 H new ATOM 1048 N ASP A 98 -7.030 12.257 -3.992 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.352 11.663 -3.831 1.00 0.00 C ATOM 1050 C ASP A 98 -8.276 10.141 -3.900 1.00 0.00 C ATOM 1051 O ASP A 98 -8.744 9.445 -2.999 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.304 12.188 -4.907 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.740 13.616 -4.649 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.300 13.878 -3.564 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -9.521 14.473 -5.531 1.00 0.00 O ATOM 0 H ASP A 98 -6.874 12.700 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.734 11.945 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.815 12.131 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.183 11.546 -4.954 1.00 0.00 H new ATOM 1060 N SER A 99 -7.684 9.631 -4.975 1.00 0.00 N ATOM 1061 CA SER A 99 -7.550 8.192 -5.164 1.00 0.00 C ATOM 1062 C SER A 99 -7.141 7.509 -3.863 1.00 0.00 C ATOM 1063 O SER A 99 -7.579 6.397 -3.568 1.00 0.00 O ATOM 1064 CB SER A 99 -6.521 7.892 -6.256 1.00 0.00 C ATOM 1065 OG SER A 99 -6.968 8.356 -7.518 1.00 0.00 O ATOM 0 H SER A 99 -7.289 10.194 -5.729 1.00 0.00 H new ATOM 0 HA SER A 99 -8.519 7.800 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.572 8.366 -6.006 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.339 6.818 -6.303 1.00 0.00 H new ATOM 0 HG SER A 99 -6.293 8.154 -8.199 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.297 8.183 -3.088 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.829 7.643 -1.817 1.00 0.00 C ATOM 1073 C ALA A 100 -6.925 7.703 -0.759 1.00 0.00 C ATOM 1074 O ALA A 100 -7.281 6.686 -0.161 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.596 8.398 -1.346 1.00 0.00 C ATOM 0 H ALA A 100 -5.923 9.104 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.565 6.597 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.257 7.985 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.804 8.300 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.842 9.452 -1.216 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.457 8.898 -0.531 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.513 9.091 0.456 1.00 0.00 C ATOM 1083 C LEU A 101 -9.636 8.078 0.257 1.00 0.00 C ATOM 1084 O LEU A 101 -10.065 7.415 1.202 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.071 10.512 0.366 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.081 11.641 0.655 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.583 12.953 0.074 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.846 11.774 2.153 1.00 0.00 C ATOM 0 H LEU A 101 -7.174 9.749 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.082 8.939 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.477 10.659 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.904 10.599 1.064 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.132 11.396 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.865 13.745 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.699 12.852 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.545 13.204 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.139 12.582 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.790 11.995 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.441 10.840 2.542 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.108 7.962 -0.980 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.179 7.028 -1.306 1.00 0.00 C ATOM 1102 C LYS A 102 -10.792 5.602 -0.927 1.00 0.00 C ATOM 1103 O LYS A 102 -11.356 5.020 -0.001 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.509 7.099 -2.799 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.879 8.493 -3.274 1.00 0.00 C ATOM 1106 CD LYS A 102 -11.944 8.566 -4.791 1.00 0.00 C ATOM 1107 CE LYS A 102 -12.894 9.659 -5.256 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.001 9.706 -6.740 1.00 0.00 N ATOM 0 H LYS A 102 -9.765 8.504 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.061 7.311 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.650 6.746 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.335 6.420 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.843 8.778 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.146 9.211 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.947 8.754 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.270 7.605 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.881 9.489 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.547 10.624 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.657 10.464 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.064 9.893 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.357 8.794 -7.091 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.825 5.045 -1.649 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.359 3.689 -1.386 1.00 0.00 C ATOM 1124 C ALA A 103 -9.088 3.480 0.100 1.00 0.00 C ATOM 1125 O ALA A 103 -9.328 2.399 0.637 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.108 3.393 -2.200 1.00 0.00 C ATOM 0 H ALA A 103 -9.349 5.512 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.146 2.997 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.771 2.377 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.333 3.492 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.322 4.098 -1.929 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.586 4.520 0.757 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.281 4.449 2.181 1.00 0.00 C ATOM 1134 C GLN A 104 -9.547 4.210 2.997 1.00 0.00 C ATOM 1135 O GLN A 104 -9.643 3.235 3.742 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.597 5.737 2.643 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.258 5.747 4.125 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.257 7.145 4.713 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -6.402 8.010 4.181 1.00 0.00 O flip ATOM 1140 NE2 GLN A 104 -8.015 7.443 5.635 1.00 0.00 N flip ATOM 0 H GLN A 104 -8.382 5.422 0.326 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.604 3.610 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.682 5.879 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.247 6.584 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.978 5.131 4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.278 5.294 4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.656 6.746 6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.002 8.387 6.021 1.00 0.00 H new ATOM 1149 N SER A 105 -10.516 5.108 2.853 1.00 0.00 N ATOM 1150 CA SER A 105 -11.775 4.998 3.580 1.00 0.00 C ATOM 1151 C SER A 105 -12.710 4.002 2.900 1.00 0.00 C ATOM 1152 O SER A 105 -13.780 3.685 3.419 1.00 0.00 O ATOM 1153 CB SER A 105 -12.453 6.366 3.679 1.00 0.00 C ATOM 1154 OG SER A 105 -13.592 6.311 4.521 1.00 0.00 O ATOM 0 H SER A 105 -10.453 5.920 2.239 1.00 0.00 H new ATOM 0 HA SER A 105 -11.555 4.636 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.745 7.099 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.748 6.702 2.685 1.00 0.00 H new ATOM 0 HG SER A 105 -13.948 5.398 4.530 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.297 3.513 1.736 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.095 2.552 0.985 1.00 0.00 C ATOM 1162 C ALA A 106 -12.603 1.127 1.220 1.00 0.00 C ATOM 1163 O ALA A 106 -13.336 0.162 1.000 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.064 2.885 -0.499 1.00 0.00 C ATOM 0 H ALA A 106 -11.414 3.766 1.292 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.124 2.616 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.664 2.159 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.470 3.884 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.035 2.851 -0.858 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.358 1.002 1.666 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.768 -0.305 1.929 1.00 0.00 C ATOM 1172 C LEU A 107 -10.535 -0.506 3.423 1.00 0.00 C ATOM 1173 O LEU A 107 -10.843 -1.564 3.974 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.447 -0.452 1.171 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.553 -0.541 -0.351 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.172 -0.510 -0.986 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.302 -1.801 -0.761 1.00 0.00 C ATOM 0 H LEU A 107 -10.738 1.790 1.853 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.465 -1.068 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.811 0.397 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.941 -1.347 1.533 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.113 0.323 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.268 -0.574 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.670 0.421 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.586 -1.354 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.368 -1.848 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.769 -2.677 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.306 -1.782 -0.337 1.00 0.00 H new ATOM 1189 N HIS A 108 -9.990 0.516 4.075 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.719 0.453 5.507 1.00 0.00 C ATOM 1191 C HIS A 108 -10.927 -0.088 6.265 1.00 0.00 C ATOM 1192 O HIS A 108 -11.943 0.593 6.399 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.346 1.837 6.038 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.879 1.827 7.461 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.646 1.344 7.845 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.487 2.246 8.596 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.516 1.464 9.154 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.620 2.009 9.634 1.00 0.00 N ATOM 0 H HIS A 108 -9.727 1.398 3.635 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.881 -0.226 5.664 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.561 2.259 5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.211 2.495 5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.471 2.685 8.671 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.654 1.167 9.733 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.799 2.219 10.616 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.808 -1.317 6.759 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.891 -1.949 7.502 1.00 0.00 C ATOM 1208 C GLU A 109 -13.150 -2.054 6.646 1.00 0.00 C ATOM 1209 O GLU A 109 -14.264 -1.876 7.138 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.193 -1.159 8.777 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.003 -1.035 9.713 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.413 -0.935 11.169 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.504 -1.436 11.513 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -10.645 -0.355 11.964 1.00 0.00 O ATOM 0 H GLU A 109 -9.973 -1.894 6.658 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.572 -2.955 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.535 -0.161 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.013 -1.642 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.351 -1.899 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.423 -0.153 9.442 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.963 -2.344 5.362 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.082 -2.471 4.437 1.00 0.00 C ATOM 1223 C GLN A 110 -13.983 -3.766 3.637 1.00 0.00 C ATOM 1224 O GLN A 110 -14.971 -4.482 3.468 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.125 -1.273 3.487 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.527 -0.918 3.019 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.643 0.524 2.565 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.159 0.807 1.483 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.164 1.446 3.392 1.00 0.00 N ATOM 0 H GLN A 110 -12.047 -2.495 4.939 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.002 -2.495 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.688 -0.408 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.504 -1.487 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.810 -1.577 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.233 -1.098 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.745 1.167 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.216 2.433 3.140 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.784 -4.061 3.145 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.554 -5.270 2.363 1.00 0.00 C ATOM 1240 C LYS A 111 -11.911 -6.357 3.219 1.00 0.00 C ATOM 1241 O LYS A 111 -11.267 -6.068 4.228 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.664 -4.961 1.158 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.943 -5.842 -0.047 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.263 -5.481 -0.708 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.232 -5.760 -2.203 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.580 -5.622 -2.821 1.00 0.00 N ATOM 0 H LYS A 111 -11.956 -3.479 3.274 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.519 -5.634 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.801 -3.918 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.620 -5.078 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.133 -5.739 -0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.964 -6.887 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -14.070 -6.051 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.480 -4.426 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.539 -5.072 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.854 -6.768 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.517 -5.820 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.236 -6.296 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.930 -4.653 -2.678 1.00 0.00 H new ATOM 1260 N THR A 112 -12.087 -7.609 2.808 1.00 0.00 N ATOM 1261 CA THR A 112 -11.524 -8.739 3.536 1.00 0.00 C ATOM 1262 C THR A 112 -10.828 -9.710 2.590 1.00 0.00 C ATOM 1263 O THR A 112 -11.475 -10.538 1.946 1.00 0.00 O ATOM 1264 CB THR A 112 -12.609 -9.496 4.324 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.163 -8.647 5.335 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.034 -10.749 4.968 1.00 0.00 C ATOM 0 H THR A 112 -12.615 -7.866 1.974 1.00 0.00 H new ATOM 0 HA THR A 112 -10.794 -8.332 4.236 1.00 0.00 H new ATOM 0 HB THR A 112 -13.394 -9.791 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.853 -9.136 5.830 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.818 -11.268 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.639 -11.407 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.232 -10.471 5.652 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.506 -9.606 2.510 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.721 -10.477 1.642 1.00 0.00 C ATOM 1276 C LEU A 113 -8.988 -11.945 1.958 1.00 0.00 C ATOM 1277 O LEU A 113 -9.398 -12.303 3.062 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.229 -10.174 1.797 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.736 -8.880 1.148 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.248 -8.690 1.400 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -7.030 -8.887 -0.345 1.00 0.00 C ATOM 0 H LEU A 113 -8.955 -8.927 3.036 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.020 -10.286 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.995 -10.135 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.664 -11.006 1.377 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.269 -8.043 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.915 -7.764 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.064 -8.640 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.697 -9.530 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.672 -7.959 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.524 -9.732 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.105 -8.975 -0.504 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.750 -12.817 0.966 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.956 -14.261 1.115 1.00 0.00 C ATOM 1295 C PRO A 114 -7.937 -14.898 2.053 1.00 0.00 C ATOM 1296 O PRO A 114 -6.733 -14.849 1.803 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.779 -14.793 -0.309 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.907 -13.790 -0.983 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.261 -12.460 -0.376 1.00 0.00 C ATOM 0 HA PRO A 114 -9.927 -14.491 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.318 -15.781 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.738 -14.889 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.853 -14.022 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.077 -13.785 -2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.396 -11.798 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.024 -11.943 -0.958 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.427 -15.497 3.134 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.544 -16.136 4.093 1.00 0.00 C ATOM 1309 C GLY A 115 -7.292 -15.273 5.313 1.00 0.00 C ATOM 1310 O GLY A 115 -6.592 -15.684 6.238 1.00 0.00 O ATOM 0 H GLY A 115 -9.419 -15.551 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.979 -17.085 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.594 -16.365 3.611 1.00 0.00 H new ATOM 1314 N MET A 116 -7.862 -14.073 5.316 1.00 0.00 N ATOM 1315 CA MET A 116 -7.695 -13.150 6.432 1.00 0.00 C ATOM 1316 C MET A 116 -9.010 -12.958 7.181 1.00 0.00 C ATOM 1317 O MET A 116 -9.991 -12.477 6.617 1.00 0.00 O ATOM 1318 CB MET A 116 -7.177 -11.799 5.932 1.00 0.00 C ATOM 1319 CG MET A 116 -5.710 -11.820 5.536 1.00 0.00 C ATOM 1320 SD MET A 116 -4.624 -12.238 6.914 1.00 0.00 S ATOM 1321 CE MET A 116 -3.250 -11.131 6.609 1.00 0.00 C ATOM 0 H MET A 116 -8.444 -13.717 4.558 1.00 0.00 H new ATOM 0 HA MET A 116 -6.966 -13.579 7.119 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.772 -11.486 5.074 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.324 -11.052 6.712 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.565 -12.542 4.732 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.430 -10.843 5.141 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.346 -11.714 6.430 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.465 -10.517 5.735 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.101 -10.488 7.477 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.021 -13.337 8.454 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.217 -13.208 9.280 1.00 0.00 C ATOM 1333 C ASN A 117 -10.589 -11.740 9.471 1.00 0.00 C ATOM 1334 O ASN A 117 -11.767 -11.396 9.571 1.00 0.00 O ATOM 1335 CB ASN A 117 -9.997 -13.871 10.641 1.00 0.00 C ATOM 1336 CG ASN A 117 -9.809 -15.372 10.528 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -8.726 -15.895 10.793 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -10.866 -16.073 10.134 1.00 0.00 N ATOM 0 H ASN A 117 -8.216 -13.736 8.937 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.038 -13.710 8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.121 -13.433 11.119 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.850 -13.662 11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.800 -17.087 10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.744 -15.598 9.925 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.577 -10.881 9.521 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.797 -9.451 9.701 1.00 0.00 C ATOM 1347 C ARG A 118 -9.702 -8.714 8.368 1.00 0.00 C ATOM 1348 O ARG A 118 -9.072 -9.178 7.418 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.779 -8.876 10.688 1.00 0.00 C ATOM 1350 CG ARG A 118 -7.363 -9.384 10.466 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.072 -10.611 11.316 1.00 0.00 C ATOM 1352 NE ARG A 118 -5.664 -10.694 11.693 1.00 0.00 N ATOM 1353 CZ ARG A 118 -5.197 -11.531 12.614 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -6.023 -12.352 13.246 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -3.902 -11.547 12.902 1.00 0.00 N ATOM 0 H ARG A 118 -8.597 -11.150 9.439 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.801 -9.312 10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.783 -7.789 10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.090 -9.123 11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.224 -9.628 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.650 -8.595 10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.687 -10.583 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.353 -11.509 10.765 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.002 -10.076 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.019 -12.342 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.663 -12.994 13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.264 -10.917 12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.545 -12.190 13.609 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.342 -7.538 8.295 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.344 -6.712 7.084 1.00 0.00 C ATOM 1371 C PRO A 119 -8.978 -6.097 6.799 1.00 0.00 C ATOM 1372 O PRO A 119 -8.041 -6.253 7.582 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.367 -5.618 7.402 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.376 -5.530 8.889 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.113 -6.923 9.389 1.00 0.00 C ATOM 0 HA PRO A 119 -10.585 -7.294 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.083 -4.667 6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.353 -5.873 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.612 -4.838 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.335 -5.160 9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.550 -6.915 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.040 -7.463 9.580 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.872 -5.398 5.674 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.621 -4.758 5.287 1.00 0.00 C ATOM 1385 C ILE A 120 -7.500 -3.368 5.903 1.00 0.00 C ATOM 1386 O ILE A 120 -8.423 -2.559 5.816 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.497 -4.642 3.757 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.400 -3.642 3.386 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.828 -4.226 3.148 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.203 -3.487 1.895 1.00 0.00 C ATOM 0 H ILE A 120 -9.638 -5.260 5.014 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.815 -5.390 5.661 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.224 -5.618 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.645 -2.670 3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.461 -3.962 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.724 -4.148 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.586 -4.971 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.128 -3.260 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.410 -2.763 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.927 -4.449 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.130 -3.137 1.440 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.357 -3.099 6.524 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.115 -1.806 7.154 1.00 0.00 C ATOM 1404 C GLN A 121 -5.195 -0.946 6.294 1.00 0.00 C ATOM 1405 O GLN A 121 -4.055 -1.321 6.019 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.504 -1.998 8.543 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.521 -2.376 9.608 1.00 0.00 C ATOM 1408 CD GLN A 121 -7.468 -1.239 9.940 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -8.417 -0.971 9.203 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -7.214 -0.564 11.055 1.00 0.00 N ATOM 0 H GLN A 121 -5.583 -3.759 6.605 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.072 -1.294 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.740 -2.774 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.003 -1.077 8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.097 -3.236 9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -5.997 -2.683 10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.416 -0.821 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -7.817 0.211 11.330 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.697 0.210 5.872 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.919 1.125 5.044 1.00 0.00 C ATOM 1421 C VAL A 122 -4.958 2.542 5.606 1.00 0.00 C ATOM 1422 O VAL A 122 -6.001 3.195 5.603 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.436 1.145 3.593 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.544 2.016 2.721 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.521 -0.269 3.039 1.00 0.00 C ATOM 0 H VAL A 122 -6.639 0.535 6.090 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.891 0.763 5.051 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.438 1.573 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.924 2.018 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.539 3.035 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.529 1.620 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.888 -0.236 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.532 -0.727 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.204 -0.859 3.650 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.812 3.012 6.087 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.712 4.353 6.651 1.00 0.00 C ATOM 1437 C LYS A 123 -2.612 5.153 5.961 1.00 0.00 C ATOM 1438 O LYS A 123 -1.666 4.598 5.402 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.436 4.277 8.154 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.314 3.320 8.519 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.484 2.771 9.925 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.742 1.455 10.103 1.00 0.00 C ATOM 1443 NZ LYS A 123 -2.394 0.345 9.353 1.00 0.00 N ATOM 0 H LYS A 123 -2.939 2.484 6.098 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.663 4.861 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.186 5.273 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.347 3.968 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.291 2.496 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.356 3.835 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.115 3.499 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.544 2.624 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.713 1.569 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.700 1.202 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.573 -0.451 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -3.295 0.678 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -1.769 0.033 8.583 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.737 6.488 6.000 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.761 7.392 5.385 1.00 0.00 C ATOM 1459 C PRO A 124 -0.427 7.397 6.125 1.00 0.00 C ATOM 1460 O PRO A 124 -0.205 8.215 7.017 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.434 8.763 5.487 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.363 8.644 6.645 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.839 7.217 6.648 1.00 0.00 C ATOM 0 HA PRO A 124 -1.518 7.096 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.700 9.553 5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -2.972 9.009 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.856 8.889 7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.200 9.335 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.019 6.856 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.773 7.104 6.098 1.00 0.00 H new ATOM 1471 N ALA A 125 0.456 6.479 5.748 1.00 0.00 N ATOM 1472 CA ALA A 125 1.769 6.379 6.374 1.00 0.00 C ATOM 1473 C ALA A 125 2.355 7.761 6.644 1.00 0.00 C ATOM 1474 O ALA A 125 2.335 8.634 5.777 1.00 0.00 O ATOM 1475 CB ALA A 125 2.711 5.566 5.499 1.00 0.00 C ATOM 0 H ALA A 125 0.286 5.793 5.012 1.00 0.00 H new ATOM 0 HA ALA A 125 1.650 5.870 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.687 5.500 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.306 4.564 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.816 6.051 4.529 1.00 0.00 H new