USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 933 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 65 SER OG : rot 170:sc= -0.173 USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 36 CYS SG : rot 180:sc= -0.174 USER MOD Set 2.2: A 39 CYS SG : rot 170:sc= -0.872 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 120:sc= -0.811 USER MOD Single : A 14 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc=-0.00669 (180deg=-0.448) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -1.92! (180deg=-3.84!) USER MOD Single : A 34 SER OG : rot -118:sc= 0.817 USER MOD Single : A 41 SER OG : rot -52:sc= 0.212 USER MOD Single : A 45 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.024) USER MOD Single : A 46 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00172) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot -106:sc= -0.597 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.91! C(o=-1.9!,f=-3.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 50:sc= 0.0657 USER MOD Single : A 95 ASN : amide:sc= 0.293 K(o=0.29,f=-1.8!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 102 SER OG : rot 87:sc= 0.637 USER MOD Single : A 104 ASN : amide:sc= -1! C(o=-1!,f=-1.2!) USER MOD Single : A 106 SER OG : rot 41:sc= 0.087 USER MOD Single : A 110 SER OG : rot -130:sc= -0.0434 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0811 K(o=-0.081,f=-3.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -151:sc= -1.16 USER MOD Single : A 129 ASN : amide:sc= 0.458 K(o=0.46,f=-6.6!) USER MOD Single : A 132 GLN : amide:sc= -2.04! C(o=-2!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 0.942 -1.287 12.108 1.00 0.00 N ATOM 125 CA LEU A 9 0.739 -0.055 11.364 1.00 0.00 C ATOM 126 C LEU A 9 -0.760 0.239 11.273 1.00 0.00 C ATOM 127 O LEU A 9 -1.553 -0.649 10.964 1.00 0.00 O ATOM 128 CB LEU A 9 1.435 -0.131 10.003 1.00 0.00 C ATOM 129 CG LEU A 9 2.617 0.820 9.801 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.202 2.272 10.047 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.806 0.408 10.672 1.00 0.00 C ATOM 0 HA LEU A 9 1.198 0.785 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.786 -1.152 9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.696 0.070 9.227 1.00 0.00 H new ATOM 0 HG LEU A 9 2.938 0.750 8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.061 2.926 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.410 2.547 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.839 2.379 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.633 1.100 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.514 0.432 11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.120 -0.601 10.406 1.00 0.00 H new ATOM 143 N LYS A 10 -1.103 1.488 11.548 1.00 0.00 N ATOM 144 CA LYS A 10 -2.493 1.911 11.502 1.00 0.00 C ATOM 145 C LYS A 10 -2.719 2.766 10.253 1.00 0.00 C ATOM 146 O LYS A 10 -1.786 3.381 9.739 1.00 0.00 O ATOM 147 CB LYS A 10 -2.884 2.610 12.805 1.00 0.00 C ATOM 148 CG LYS A 10 -2.940 1.615 13.965 1.00 0.00 C ATOM 149 CD LYS A 10 -4.298 1.673 14.670 1.00 0.00 C ATOM 150 CE LYS A 10 -4.294 0.815 15.937 1.00 0.00 C ATOM 151 NZ LYS A 10 -5.117 1.445 16.992 1.00 0.00 N ATOM 0 H LYS A 10 -0.442 2.222 11.804 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.152 1.047 11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.164 3.397 13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.855 3.091 12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.762 0.606 13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.146 1.837 14.678 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.535 2.706 14.926 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.078 1.325 13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.680 -0.179 15.711 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.272 0.687 16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.103 0.850 17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.731 2.384 17.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.096 1.545 16.655 1.00 0.00 H new ATOM 164 N THR A 11 -3.964 2.775 9.801 1.00 0.00 N ATOM 165 CA THR A 11 -4.326 3.546 8.622 1.00 0.00 C ATOM 166 C THR A 11 -4.747 4.962 9.018 1.00 0.00 C ATOM 167 O THR A 11 -4.823 5.282 10.203 1.00 0.00 O ATOM 168 CB THR A 11 -5.413 2.776 7.870 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.415 2.539 8.856 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.960 1.374 7.457 1.00 0.00 C ATOM 0 H THR A 11 -4.735 2.262 10.229 1.00 0.00 H new ATOM 0 HA THR A 11 -3.474 3.670 7.954 1.00 0.00 H new ATOM 0 HB THR A 11 -5.708 3.338 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.256 2.956 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.769 0.872 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.091 1.450 6.804 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.697 0.800 8.346 1.00 0.00 H new ATOM 178 N ALA A 12 -5.008 5.772 8.002 1.00 0.00 N ATOM 179 CA ALA A 12 -5.421 7.147 8.229 1.00 0.00 C ATOM 180 C ALA A 12 -6.733 7.158 9.014 1.00 0.00 C ATOM 181 O ALA A 12 -7.128 8.190 9.557 1.00 0.00 O ATOM 182 CB ALA A 12 -5.535 7.873 6.888 1.00 0.00 C ATOM 0 H ALA A 12 -4.942 5.503 7.020 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.678 7.678 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.845 8.904 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.568 7.863 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.274 7.370 6.264 1.00 0.00 H new ATOM 188 N ASP A 13 -7.376 6.001 9.048 1.00 0.00 N ATOM 189 CA ASP A 13 -8.638 5.865 9.757 1.00 0.00 C ATOM 190 C ASP A 13 -8.371 5.322 11.162 1.00 0.00 C ATOM 191 O ASP A 13 -9.258 4.738 11.784 1.00 0.00 O ATOM 192 CB ASP A 13 -9.569 4.887 9.040 1.00 0.00 C ATOM 193 CG ASP A 13 -10.885 5.490 8.547 1.00 0.00 C ATOM 194 OD1 ASP A 13 -11.933 5.355 9.196 1.00 0.00 O ATOM 195 OD2 ASP A 13 -10.807 6.131 7.430 1.00 0.00 O ATOM 0 H ASP A 13 -7.047 5.148 8.596 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.110 6.846 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.039 4.463 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.795 4.062 9.716 1.00 0.00 H new ATOM 201 N ASN A 14 -7.146 5.532 11.621 1.00 0.00 N ATOM 202 CA ASN A 14 -6.752 5.070 12.941 1.00 0.00 C ATOM 203 C ASN A 14 -7.166 3.607 13.110 1.00 0.00 C ATOM 204 O ASN A 14 -7.453 3.161 14.220 1.00 0.00 O ATOM 205 CB ASN A 14 -7.441 5.884 14.038 1.00 0.00 C ATOM 206 CG ASN A 14 -6.414 6.505 14.988 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.348 7.708 15.172 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.620 5.617 15.579 1.00 0.00 N ATOM 0 H ASN A 14 -6.413 6.016 11.102 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.672 5.186 13.029 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.046 6.670 13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.120 5.242 14.600 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.902 5.930 16.232 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.729 4.623 15.380 1.00 0.00 H new ATOM 215 N ARG A 15 -7.183 2.896 11.991 1.00 0.00 N ATOM 216 CA ARG A 15 -7.556 1.492 12.001 1.00 0.00 C ATOM 217 C ARG A 15 -6.308 0.611 11.912 1.00 0.00 C ATOM 218 O ARG A 15 -5.316 0.993 11.294 1.00 0.00 O ATOM 219 CB ARG A 15 -8.488 1.162 10.833 1.00 0.00 C ATOM 220 CG ARG A 15 -9.950 1.404 11.214 1.00 0.00 C ATOM 221 CD ARG A 15 -10.894 0.814 10.163 1.00 0.00 C ATOM 222 NE ARG A 15 -11.633 1.900 9.481 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.551 1.698 8.513 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.853 0.447 8.102 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.151 2.743 7.972 1.00 0.00 N ATOM 0 H ARG A 15 -6.944 3.267 11.071 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.079 1.294 12.937 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.227 1.775 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.353 0.122 10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.156 0.955 12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.132 2.474 11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.325 0.236 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.595 0.127 10.637 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.436 2.861 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.386 -0.355 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.548 0.305 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.918 3.685 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.847 2.608 7.239 1.00 0.00 H new ATOM 238 N PRO A 16 -6.402 -0.582 12.558 1.00 0.00 N ATOM 239 CA PRO A 16 -5.293 -1.522 12.558 1.00 0.00 C ATOM 240 C PRO A 16 -5.169 -2.224 11.204 1.00 0.00 C ATOM 241 O PRO A 16 -6.151 -2.743 10.677 1.00 0.00 O ATOM 242 CB PRO A 16 -5.590 -2.480 13.699 1.00 0.00 C ATOM 243 CG PRO A 16 -7.073 -2.328 13.996 1.00 0.00 C ATOM 244 CD PRO A 16 -7.561 -1.069 13.301 1.00 0.00 C ATOM 0 HA PRO A 16 -4.329 -1.035 12.705 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.351 -3.506 13.420 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.989 -2.240 14.576 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.625 -3.198 13.641 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.242 -2.261 15.071 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.397 -1.283 12.635 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.909 -0.329 14.021 1.00 0.00 H new ATOM 252 N ALA A 17 -3.951 -2.216 10.681 1.00 0.00 N ATOM 253 CA ALA A 17 -3.685 -2.846 9.397 1.00 0.00 C ATOM 254 C ALA A 17 -4.094 -4.319 9.463 1.00 0.00 C ATOM 255 O ALA A 17 -4.375 -4.935 8.436 1.00 0.00 O ATOM 256 CB ALA A 17 -2.209 -2.668 9.037 1.00 0.00 C ATOM 0 H ALA A 17 -3.139 -1.784 11.122 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.272 -2.374 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.010 -3.140 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.975 -1.605 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.589 -3.132 9.804 1.00 0.00 H new ATOM 262 N SER A 18 -4.115 -4.841 10.681 1.00 0.00 N ATOM 263 CA SER A 18 -4.486 -6.230 10.894 1.00 0.00 C ATOM 264 C SER A 18 -5.871 -6.499 10.301 1.00 0.00 C ATOM 265 O SER A 18 -6.155 -7.610 9.856 1.00 0.00 O ATOM 266 CB SER A 18 -4.469 -6.583 12.383 1.00 0.00 C ATOM 267 OG SER A 18 -4.962 -7.897 12.625 1.00 0.00 O ATOM 0 H SER A 18 -3.881 -4.327 11.530 1.00 0.00 H new ATOM 0 HA SER A 18 -3.753 -6.860 10.390 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.451 -6.502 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.073 -5.862 12.934 1.00 0.00 H new ATOM 0 HG SER A 18 -4.934 -8.085 13.586 1.00 0.00 H new ATOM 273 N VAL A 19 -6.696 -5.463 10.313 1.00 0.00 N ATOM 274 CA VAL A 19 -8.044 -5.574 9.782 1.00 0.00 C ATOM 275 C VAL A 19 -7.977 -6.032 8.324 1.00 0.00 C ATOM 276 O VAL A 19 -8.868 -6.732 7.848 1.00 0.00 O ATOM 277 CB VAL A 19 -8.787 -4.248 9.959 1.00 0.00 C ATOM 278 CG1 VAL A 19 -10.178 -4.310 9.324 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.875 -3.862 11.437 1.00 0.00 C ATOM 0 H VAL A 19 -6.457 -4.543 10.682 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.611 -6.325 10.333 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.218 -3.474 9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.685 -3.355 9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.082 -4.517 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.759 -5.102 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.408 -2.916 11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.410 -4.638 11.984 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.870 -3.757 11.846 1.00 0.00 H new ATOM 289 N TYR A 20 -6.910 -5.617 7.655 1.00 0.00 N ATOM 290 CA TYR A 20 -6.715 -5.976 6.262 1.00 0.00 C ATOM 291 C TYR A 20 -5.456 -6.830 6.085 1.00 0.00 C ATOM 292 O TYR A 20 -4.873 -6.865 5.003 1.00 0.00 O ATOM 293 CB TYR A 20 -6.532 -4.658 5.508 1.00 0.00 C ATOM 294 CG TYR A 20 -7.842 -4.026 5.032 1.00 0.00 C ATOM 295 CD1 TYR A 20 -8.628 -3.317 5.919 1.00 0.00 C ATOM 296 CD2 TYR A 20 -8.238 -4.165 3.718 1.00 0.00 C ATOM 297 CE1 TYR A 20 -9.861 -2.723 5.471 1.00 0.00 C ATOM 298 CE2 TYR A 20 -9.472 -3.570 3.270 1.00 0.00 C ATOM 299 CZ TYR A 20 -10.223 -2.879 4.169 1.00 0.00 C ATOM 300 OH TYR A 20 -11.386 -2.317 3.747 1.00 0.00 O ATOM 0 H TYR A 20 -6.172 -5.036 8.053 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.562 -6.555 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.013 -3.950 6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.889 -4.831 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.318 -3.208 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.623 -4.720 3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.485 -2.166 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.793 -3.671 2.244 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.515 -2.509 2.795 1.00 0.00 H new ATOM 310 N LEU A 21 -5.074 -7.494 7.166 1.00 0.00 N ATOM 311 CA LEU A 21 -3.897 -8.343 7.145 1.00 0.00 C ATOM 312 C LEU A 21 -4.278 -9.750 7.610 1.00 0.00 C ATOM 313 O LEU A 21 -4.689 -9.940 8.752 1.00 0.00 O ATOM 314 CB LEU A 21 -2.766 -7.712 7.961 1.00 0.00 C ATOM 315 CG LEU A 21 -1.412 -7.599 7.258 1.00 0.00 C ATOM 316 CD1 LEU A 21 -1.298 -6.275 6.500 1.00 0.00 C ATOM 317 CD2 LEU A 21 -0.262 -7.794 8.248 1.00 0.00 C ATOM 0 H LEU A 21 -5.560 -7.461 8.062 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.514 -8.436 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.079 -6.713 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.632 -8.296 8.871 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.341 -8.399 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.326 -6.219 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.087 -6.216 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.399 -5.445 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.689 -7.709 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.317 -7.031 9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.338 -8.781 8.704 1.00 0.00 H new ATOM 329 N LYS A 22 -4.130 -10.700 6.697 1.00 0.00 N ATOM 330 CA LYS A 22 -4.454 -12.084 6.998 1.00 0.00 C ATOM 331 C LYS A 22 -3.165 -12.853 7.288 1.00 0.00 C ATOM 332 O LYS A 22 -2.253 -12.876 6.463 1.00 0.00 O ATOM 333 CB LYS A 22 -5.296 -12.693 5.875 1.00 0.00 C ATOM 334 CG LYS A 22 -6.789 -12.592 6.191 1.00 0.00 C ATOM 335 CD LYS A 22 -7.612 -13.471 5.246 1.00 0.00 C ATOM 336 CE LYS A 22 -8.383 -12.619 4.236 1.00 0.00 C ATOM 337 NZ LYS A 22 -8.137 -13.100 2.858 1.00 0.00 N ATOM 0 H LYS A 22 -3.790 -10.538 5.749 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.070 -12.145 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.084 -12.179 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.020 -13.738 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.967 -12.895 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.113 -11.555 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.953 -14.160 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.310 -14.077 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.450 -12.659 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.078 -11.576 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.846 -12.692 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.186 -12.809 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.206 -14.137 2.835 1.00 0.00 H new ATOM 350 N LYS A 23 -3.131 -13.468 8.462 1.00 0.00 N ATOM 351 CA LYS A 23 -1.968 -14.237 8.871 1.00 0.00 C ATOM 352 C LYS A 23 -1.916 -15.540 8.070 1.00 0.00 C ATOM 353 O LYS A 23 -1.851 -16.624 8.646 1.00 0.00 O ATOM 354 CB LYS A 23 -1.971 -14.446 10.387 1.00 0.00 C ATOM 355 CG LYS A 23 -1.479 -13.193 11.115 1.00 0.00 C ATOM 356 CD LYS A 23 0.047 -13.184 11.221 1.00 0.00 C ATOM 357 CE LYS A 23 0.526 -12.071 12.154 1.00 0.00 C ATOM 358 NZ LYS A 23 0.687 -10.803 11.409 1.00 0.00 N ATOM 0 H LYS A 23 -3.890 -13.449 9.143 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.052 -13.690 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.979 -14.693 10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.334 -15.293 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.815 -12.303 10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.917 -13.152 12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.395 -14.148 11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.483 -13.046 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.190 -11.935 12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.474 -12.354 12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.013 -10.058 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.387 -10.932 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.225 -10.526 10.994 1.00 0.00 H new ATOM 371 N ASP A 24 -1.949 -15.390 6.754 1.00 0.00 N ATOM 372 CA ASP A 24 -1.906 -16.540 5.868 1.00 0.00 C ATOM 373 C ASP A 24 -2.388 -16.126 4.476 1.00 0.00 C ATOM 374 O ASP A 24 -3.104 -16.876 3.815 1.00 0.00 O ATOM 375 CB ASP A 24 -2.823 -17.658 6.372 1.00 0.00 C ATOM 376 CG ASP A 24 -4.194 -17.194 6.867 1.00 0.00 C ATOM 377 OD1 ASP A 24 -5.182 -17.206 6.116 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.228 -16.805 8.096 1.00 0.00 O ATOM 0 H ASP A 24 -2.005 -14.489 6.280 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.878 -16.902 5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.969 -18.379 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.319 -18.183 7.183 1.00 0.00 H new ATOM 384 N LYS A 25 -1.975 -14.933 4.074 1.00 0.00 N ATOM 385 CA LYS A 25 -2.356 -14.409 2.774 1.00 0.00 C ATOM 386 C LYS A 25 -1.290 -13.423 2.293 1.00 0.00 C ATOM 387 O LYS A 25 -0.618 -12.787 3.104 1.00 0.00 O ATOM 388 CB LYS A 25 -3.764 -13.815 2.825 1.00 0.00 C ATOM 389 CG LYS A 25 -4.827 -14.913 2.753 1.00 0.00 C ATOM 390 CD LYS A 25 -4.608 -15.807 1.531 1.00 0.00 C ATOM 391 CE LYS A 25 -5.940 -16.151 0.859 1.00 0.00 C ATOM 392 NZ LYS A 25 -6.558 -17.330 1.505 1.00 0.00 N ATOM 0 H LYS A 25 -1.380 -14.315 4.626 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.402 -15.213 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.888 -13.244 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.899 -13.119 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.794 -15.516 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.818 -14.462 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.956 -15.302 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.101 -16.724 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.616 -15.299 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.778 -16.352 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.460 -17.549 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.918 -18.146 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.730 -17.125 2.510 1.00 0.00 H new ATOM 405 N PRO A 26 -1.165 -13.324 0.943 1.00 0.00 N ATOM 406 CA PRO A 26 -0.191 -12.425 0.346 1.00 0.00 C ATOM 407 C PRO A 26 -0.656 -10.971 0.443 1.00 0.00 C ATOM 408 O PRO A 26 -1.762 -10.638 0.021 1.00 0.00 O ATOM 409 CB PRO A 26 -0.041 -12.905 -1.089 1.00 0.00 C ATOM 410 CG PRO A 26 -1.269 -13.754 -1.375 1.00 0.00 C ATOM 411 CD PRO A 26 -1.942 -14.062 -0.048 1.00 0.00 C ATOM 0 HA PRO A 26 0.769 -12.443 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.021 -12.063 -1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.873 -13.486 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.954 -13.224 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.986 -14.676 -1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.985 -13.744 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.935 -15.132 0.160 1.00 0.00 H new ATOM 419 N THR A 27 0.214 -10.142 1.004 1.00 0.00 N ATOM 420 CA THR A 27 -0.093 -8.731 1.163 1.00 0.00 C ATOM 421 C THR A 27 0.758 -7.890 0.210 1.00 0.00 C ATOM 422 O THR A 27 1.943 -8.163 0.024 1.00 0.00 O ATOM 423 CB THR A 27 0.105 -8.366 2.636 1.00 0.00 C ATOM 424 OG1 THR A 27 -0.873 -9.146 3.320 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.291 -6.921 2.940 1.00 0.00 C ATOM 0 H THR A 27 1.131 -10.421 1.354 1.00 0.00 H new ATOM 0 HA THR A 27 -1.129 -8.520 0.897 1.00 0.00 H new ATOM 0 HB THR A 27 1.148 -8.521 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.815 -8.973 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.131 -6.715 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.318 -6.243 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.343 -6.773 2.697 1.00 0.00 H new ATOM 433 N LEU A 28 0.121 -6.882 -0.369 1.00 0.00 N ATOM 434 CA LEU A 28 0.804 -5.998 -1.298 1.00 0.00 C ATOM 435 C LEU A 28 0.676 -4.554 -0.810 1.00 0.00 C ATOM 436 O LEU A 28 -0.427 -4.083 -0.538 1.00 0.00 O ATOM 437 CB LEU A 28 0.289 -6.214 -2.722 1.00 0.00 C ATOM 438 CG LEU A 28 1.132 -5.603 -3.841 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.381 -6.445 -4.112 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.296 -5.395 -5.107 1.00 0.00 C ATOM 0 H LEU A 28 -0.862 -6.658 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 28 1.868 -6.230 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.209 -7.287 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.719 -5.804 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 28 1.472 -4.621 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.962 -5.987 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.988 -6.498 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.084 -7.451 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.920 -4.959 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.094 -6.354 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.534 -4.723 -4.889 1.00 0.00 H new ATOM 452 N ILE A 29 1.820 -3.892 -0.715 1.00 0.00 N ATOM 453 CA ILE A 29 1.849 -2.510 -0.264 1.00 0.00 C ATOM 454 C ILE A 29 2.172 -1.599 -1.450 1.00 0.00 C ATOM 455 O ILE A 29 2.871 -2.006 -2.378 1.00 0.00 O ATOM 456 CB ILE A 29 2.812 -2.352 0.913 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.491 -3.355 2.022 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.816 -0.910 1.428 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.763 -4.036 2.532 1.00 0.00 C ATOM 0 H ILE A 29 2.733 -4.286 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 29 0.871 -2.210 0.112 1.00 0.00 H new ATOM 0 HB ILE A 29 3.820 -2.572 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.993 -2.844 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.797 -4.107 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.509 -0.825 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.129 -0.239 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.813 -0.639 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.506 -4.744 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.246 -4.566 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.445 -3.284 2.929 1.00 0.00 H new ATOM 471 N LYS A 30 1.649 -0.384 -1.381 1.00 0.00 N ATOM 472 CA LYS A 30 1.872 0.588 -2.437 1.00 0.00 C ATOM 473 C LYS A 30 2.167 1.954 -1.813 1.00 0.00 C ATOM 474 O LYS A 30 1.320 2.521 -1.124 1.00 0.00 O ATOM 475 CB LYS A 30 0.695 0.600 -3.415 1.00 0.00 C ATOM 476 CG LYS A 30 0.576 1.955 -4.114 1.00 0.00 C ATOM 477 CD LYS A 30 1.756 2.191 -5.058 1.00 0.00 C ATOM 478 CE LYS A 30 1.292 2.833 -6.366 1.00 0.00 C ATOM 479 NZ LYS A 30 1.176 4.301 -6.211 1.00 0.00 N ATOM 0 H LYS A 30 1.071 -0.050 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 30 2.744 0.312 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.827 -0.186 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.229 0.381 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.357 1.998 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.537 2.750 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.491 2.834 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.252 1.244 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.998 2.600 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.329 2.415 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.332 4.761 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.226 4.539 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.889 4.636 -5.531 1.00 0.00 H new ATOM 492 N PHE A 31 3.369 2.443 -2.078 1.00 0.00 N ATOM 493 CA PHE A 31 3.785 3.732 -1.550 1.00 0.00 C ATOM 494 C PHE A 31 3.385 4.866 -2.496 1.00 0.00 C ATOM 495 O PHE A 31 3.482 4.726 -3.714 1.00 0.00 O ATOM 496 CB PHE A 31 5.310 3.696 -1.433 1.00 0.00 C ATOM 497 CG PHE A 31 5.838 2.593 -0.511 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.936 1.315 -0.968 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.206 2.891 0.764 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.426 0.293 -0.113 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.696 1.868 1.618 1.00 0.00 C ATOM 502 CZ PHE A 31 6.795 0.590 1.161 1.00 0.00 C ATOM 0 H PHE A 31 4.068 1.971 -2.651 1.00 0.00 H new ATOM 0 HA PHE A 31 3.307 3.912 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.737 3.560 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.659 4.661 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.641 1.078 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.126 3.905 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.506 -0.721 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.990 2.104 2.630 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.167 -0.188 1.811 1.00 0.00 H new ATOM 512 N TRP A 32 2.946 5.964 -1.898 1.00 0.00 N ATOM 513 CA TRP A 32 2.532 7.122 -2.673 1.00 0.00 C ATOM 514 C TRP A 32 2.777 8.372 -1.824 1.00 0.00 C ATOM 515 O TRP A 32 3.084 8.268 -0.637 1.00 0.00 O ATOM 516 CB TRP A 32 1.078 6.985 -3.129 1.00 0.00 C ATOM 517 CG TRP A 32 0.063 6.992 -1.984 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.211 6.005 -1.120 1.00 0.00 C ATOM 519 CD2 TRP A 32 -0.804 8.083 -1.611 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.190 6.378 -0.221 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.563 7.682 -0.530 1.00 0.00 C ATOM 522 CE3 TRP A 32 -0.945 9.366 -2.169 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.513 8.504 0.088 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -1.900 10.175 -1.542 1.00 0.00 C ATOM 525 CH2 TRP A 32 -2.670 9.787 -0.453 1.00 0.00 C ATOM 0 H TRP A 32 2.868 6.076 -0.887 1.00 0.00 H new ATOM 0 HA TRP A 32 3.118 7.203 -3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.844 7.801 -3.813 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.970 6.057 -3.691 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.273 5.040 -1.126 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.570 5.803 0.531 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.362 9.701 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.093 8.168 0.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.049 11.171 -1.932 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.387 10.472 -0.025 1.00 0.00 H new ATOM 536 N ALA A 33 2.630 9.522 -2.464 1.00 0.00 N ATOM 537 CA ALA A 33 2.831 10.789 -1.781 1.00 0.00 C ATOM 538 C ALA A 33 1.664 11.725 -2.098 1.00 0.00 C ATOM 539 O ALA A 33 1.012 11.583 -3.133 1.00 0.00 O ATOM 540 CB ALA A 33 4.181 11.381 -2.194 1.00 0.00 C ATOM 0 H ALA A 33 2.374 9.604 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 33 2.853 10.644 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.333 12.331 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.979 10.691 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.193 11.543 -3.272 1.00 0.00 H new ATOM 546 N SER A 34 1.433 12.659 -1.188 1.00 0.00 N ATOM 547 CA SER A 34 0.354 13.618 -1.357 1.00 0.00 C ATOM 548 C SER A 34 0.777 14.714 -2.338 1.00 0.00 C ATOM 549 O SER A 34 -0.059 15.274 -3.047 1.00 0.00 O ATOM 550 CB SER A 34 -0.052 14.233 -0.017 1.00 0.00 C ATOM 551 OG SER A 34 -1.243 13.648 0.502 1.00 0.00 O ATOM 0 H SER A 34 1.974 12.773 -0.331 1.00 0.00 H new ATOM 0 HA SER A 34 -0.511 13.092 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.758 14.103 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.200 15.306 -0.141 1.00 0.00 H new ATOM 0 HG SER A 34 -1.941 14.332 0.569 1.00 0.00 H new ATOM 557 N TRP A 35 2.072 14.988 -2.347 1.00 0.00 N ATOM 558 CA TRP A 35 2.617 16.006 -3.230 1.00 0.00 C ATOM 559 C TRP A 35 2.611 15.450 -4.654 1.00 0.00 C ATOM 560 O TRP A 35 2.911 16.169 -5.606 1.00 0.00 O ATOM 561 CB TRP A 35 4.006 16.448 -2.765 1.00 0.00 C ATOM 562 CG TRP A 35 4.928 15.292 -2.373 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.338 14.946 -1.145 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.541 14.340 -3.266 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.167 13.844 -1.181 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.296 13.465 -2.512 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.462 14.224 -4.665 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.028 12.409 -3.070 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.200 13.165 -5.206 1.00 0.00 C ATOM 570 CH2 TRP A 35 6.964 12.272 -4.462 1.00 0.00 C ATOM 0 H TRP A 35 2.761 14.523 -1.757 1.00 0.00 H new ATOM 0 HA TRP A 35 2.003 16.906 -3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.479 17.022 -3.562 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.896 17.117 -1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.055 15.465 -0.241 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.605 13.391 -0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.878 14.899 -5.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.611 11.736 -2.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.174 13.032 -6.277 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.505 11.478 -4.955 1.00 0.00 H new ATOM 581 N CYS A 36 2.267 14.174 -4.756 1.00 0.00 N ATOM 582 CA CYS A 36 2.219 13.512 -6.049 1.00 0.00 C ATOM 583 C CYS A 36 0.775 13.542 -6.550 1.00 0.00 C ATOM 584 O CYS A 36 -0.096 12.881 -5.985 1.00 0.00 O ATOM 585 CB CYS A 36 2.769 12.086 -5.976 1.00 0.00 C ATOM 586 SG CYS A 36 2.852 11.361 -7.655 1.00 0.00 S ATOM 0 H CYS A 36 2.019 13.581 -3.964 1.00 0.00 H new ATOM 0 HA CYS A 36 2.859 14.041 -6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.761 12.093 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.132 11.474 -5.338 1.00 0.00 H new ATOM 0 HG CYS A 36 3.322 10.151 -7.583 1.00 0.00 H new ATOM 592 N PRO A 37 0.557 14.337 -7.633 1.00 0.00 N ATOM 593 CA PRO A 37 -0.768 14.461 -8.216 1.00 0.00 C ATOM 594 C PRO A 37 -1.134 13.209 -9.018 1.00 0.00 C ATOM 595 O PRO A 37 -2.298 12.813 -9.059 1.00 0.00 O ATOM 596 CB PRO A 37 -0.705 15.716 -9.070 1.00 0.00 C ATOM 597 CG PRO A 37 0.771 15.987 -9.304 1.00 0.00 C ATOM 598 CD PRO A 37 1.563 15.134 -8.327 1.00 0.00 C ATOM 0 HA PRO A 37 -1.553 14.546 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.230 15.573 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.181 16.556 -8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.045 15.745 -10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.993 17.044 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.281 14.500 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.129 15.752 -7.630 1.00 0.00 H new ATOM 606 N LEU A 38 -0.118 12.622 -9.633 1.00 0.00 N ATOM 607 CA LEU A 38 -0.318 11.424 -10.431 1.00 0.00 C ATOM 608 C LEU A 38 -0.806 10.291 -9.527 1.00 0.00 C ATOM 609 O LEU A 38 -1.566 9.428 -9.963 1.00 0.00 O ATOM 610 CB LEU A 38 0.951 11.085 -11.215 1.00 0.00 C ATOM 611 CG LEU A 38 0.824 9.952 -12.237 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.233 8.612 -11.625 1.00 0.00 C ATOM 613 CD2 LEU A 38 -0.584 9.905 -12.831 1.00 0.00 C ATOM 0 H LEU A 38 0.846 12.953 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.092 11.589 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.283 11.983 -11.736 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.734 10.821 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 38 1.513 10.154 -13.057 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.133 7.825 -12.373 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.269 8.666 -11.291 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.589 8.389 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.647 9.092 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.310 9.740 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.801 10.850 -13.329 1.00 0.00 H new ATOM 625 N CYS A 39 -0.348 10.329 -8.284 1.00 0.00 N ATOM 626 CA CYS A 39 -0.728 9.316 -7.315 1.00 0.00 C ATOM 627 C CYS A 39 -2.134 9.639 -6.806 1.00 0.00 C ATOM 628 O CYS A 39 -2.971 8.747 -6.677 1.00 0.00 O ATOM 629 CB CYS A 39 0.284 9.220 -6.171 1.00 0.00 C ATOM 630 SG CYS A 39 1.396 7.790 -6.436 1.00 0.00 S ATOM 0 H CYS A 39 0.283 11.046 -7.926 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.732 8.337 -7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.867 10.139 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.239 9.113 -5.220 1.00 0.00 H new ATOM 0 HG CYS A 39 2.377 7.840 -5.585 1.00 0.00 H new ATOM 636 N LEU A 40 -2.350 10.918 -6.534 1.00 0.00 N ATOM 637 CA LEU A 40 -3.641 11.371 -6.044 1.00 0.00 C ATOM 638 C LEU A 40 -4.744 10.850 -6.968 1.00 0.00 C ATOM 639 O LEU A 40 -5.745 10.309 -6.503 1.00 0.00 O ATOM 640 CB LEU A 40 -3.647 12.891 -5.874 1.00 0.00 C ATOM 641 CG LEU A 40 -3.016 13.424 -4.587 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.612 14.891 -4.740 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.945 13.208 -3.391 1.00 0.00 C ATOM 0 H LEU A 40 -1.653 11.655 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.837 10.963 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.124 13.334 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.679 13.238 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.105 12.858 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.166 15.244 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.888 14.986 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.494 15.489 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.472 13.596 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.886 13.732 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.140 12.142 -3.269 1.00 0.00 H new ATOM 655 N SER A 41 -4.523 11.034 -8.262 1.00 0.00 N ATOM 656 CA SER A 41 -5.486 10.591 -9.256 1.00 0.00 C ATOM 657 C SER A 41 -5.536 9.062 -9.289 1.00 0.00 C ATOM 658 O SER A 41 -6.545 8.479 -9.686 1.00 0.00 O ATOM 659 CB SER A 41 -5.139 11.141 -10.641 1.00 0.00 C ATOM 660 OG SER A 41 -4.210 10.309 -11.329 1.00 0.00 O ATOM 0 H SER A 41 -3.691 11.484 -8.645 1.00 0.00 H new ATOM 0 HA SER A 41 -6.468 10.975 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.050 11.234 -11.233 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.722 12.143 -10.539 1.00 0.00 H new ATOM 0 HG SER A 41 -3.431 10.147 -10.757 1.00 0.00 H new ATOM 666 N GLU A 42 -4.436 8.456 -8.869 1.00 0.00 N ATOM 667 CA GLU A 42 -4.342 7.006 -8.847 1.00 0.00 C ATOM 668 C GLU A 42 -5.002 6.451 -7.584 1.00 0.00 C ATOM 669 O GLU A 42 -5.426 5.296 -7.556 1.00 0.00 O ATOM 670 CB GLU A 42 -2.885 6.549 -8.950 1.00 0.00 C ATOM 671 CG GLU A 42 -2.794 5.127 -9.508 1.00 0.00 C ATOM 672 CD GLU A 42 -1.371 4.809 -9.970 1.00 0.00 C ATOM 673 OE1 GLU A 42 -0.416 5.475 -9.540 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.274 3.831 -10.804 1.00 0.00 O ATOM 0 H GLU A 42 -3.602 8.942 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.874 6.614 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.331 7.232 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.418 6.588 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.100 4.413 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.485 5.016 -10.344 1.00 0.00 H new ATOM 682 N LEU A 43 -5.072 7.300 -6.569 1.00 0.00 N ATOM 683 CA LEU A 43 -5.674 6.909 -5.305 1.00 0.00 C ATOM 684 C LEU A 43 -7.005 6.206 -5.577 1.00 0.00 C ATOM 685 O LEU A 43 -7.223 5.084 -5.121 1.00 0.00 O ATOM 686 CB LEU A 43 -5.795 8.115 -4.372 1.00 0.00 C ATOM 687 CG LEU A 43 -4.480 8.667 -3.816 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.727 9.907 -2.955 1.00 0.00 C ATOM 689 CD2 LEU A 43 -3.711 7.585 -3.055 1.00 0.00 C ATOM 0 H LEU A 43 -4.722 8.258 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.036 6.196 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.304 8.915 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.433 7.838 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.857 8.976 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.777 10.279 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.203 10.680 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.377 9.647 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.781 8.002 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.318 7.223 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.486 6.757 -3.728 1.00 0.00 H new ATOM 701 N GLY A 44 -7.862 6.894 -6.317 1.00 0.00 N ATOM 702 CA GLY A 44 -9.165 6.350 -6.655 1.00 0.00 C ATOM 703 C GLY A 44 -9.029 5.014 -7.388 1.00 0.00 C ATOM 704 O GLY A 44 -9.656 4.026 -7.009 1.00 0.00 O ATOM 0 H GLY A 44 -7.678 7.825 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.752 6.212 -5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.707 7.059 -7.281 1.00 0.00 H new ATOM 708 N GLN A 45 -8.205 5.027 -8.427 1.00 0.00 N ATOM 709 CA GLN A 45 -7.980 3.831 -9.218 1.00 0.00 C ATOM 710 C GLN A 45 -7.530 2.677 -8.318 1.00 0.00 C ATOM 711 O GLN A 45 -7.861 1.521 -8.573 1.00 0.00 O ATOM 712 CB GLN A 45 -6.959 4.091 -10.328 1.00 0.00 C ATOM 713 CG GLN A 45 -6.861 2.891 -11.273 1.00 0.00 C ATOM 714 CD GLN A 45 -6.934 3.339 -12.735 1.00 0.00 C ATOM 715 OE1 GLN A 45 -6.024 3.953 -13.269 1.00 0.00 O ATOM 716 NE2 GLN A 45 -8.063 3.000 -13.348 1.00 0.00 N ATOM 0 H GLN A 45 -7.686 5.848 -8.738 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.920 3.551 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.246 4.979 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.982 4.294 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.925 2.360 -11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.669 2.190 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.784 2.486 -12.842 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.209 3.254 -14.325 1.00 0.00 H new ATOM 725 N THR A 46 -6.781 3.033 -7.284 1.00 0.00 N ATOM 726 CA THR A 46 -6.282 2.042 -6.345 1.00 0.00 C ATOM 727 C THR A 46 -7.441 1.400 -5.581 1.00 0.00 C ATOM 728 O THR A 46 -7.461 0.187 -5.384 1.00 0.00 O ATOM 729 CB THR A 46 -5.259 2.728 -5.436 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.274 3.227 -6.335 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.494 1.731 -4.562 1.00 0.00 C ATOM 0 H THR A 46 -6.508 3.993 -7.076 1.00 0.00 H new ATOM 0 HA THR A 46 -5.782 1.222 -6.861 1.00 0.00 H new ATOM 0 HB THR A 46 -5.767 3.455 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.580 4.076 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.781 2.268 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.196 1.189 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.959 1.025 -5.198 1.00 0.00 H new ATOM 739 N GLU A 47 -8.379 2.242 -5.173 1.00 0.00 N ATOM 740 CA GLU A 47 -9.538 1.773 -4.436 1.00 0.00 C ATOM 741 C GLU A 47 -10.317 0.752 -5.266 1.00 0.00 C ATOM 742 O GLU A 47 -10.676 -0.315 -4.768 1.00 0.00 O ATOM 743 CB GLU A 47 -10.435 2.941 -4.021 1.00 0.00 C ATOM 744 CG GLU A 47 -11.352 2.544 -2.862 1.00 0.00 C ATOM 745 CD GLU A 47 -12.392 3.631 -2.589 1.00 0.00 C ATOM 746 OE1 GLU A 47 -13.290 3.851 -3.415 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.247 4.258 -1.471 1.00 0.00 O ATOM 0 H GLU A 47 -8.359 3.248 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.191 1.284 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.819 3.791 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.036 3.262 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.855 1.606 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.757 2.372 -1.965 1.00 0.00 H new ATOM 755 N LYS A 48 -10.556 1.113 -6.518 1.00 0.00 N ATOM 756 CA LYS A 48 -11.286 0.242 -7.423 1.00 0.00 C ATOM 757 C LYS A 48 -10.510 -1.064 -7.605 1.00 0.00 C ATOM 758 O LYS A 48 -11.105 -2.125 -7.788 1.00 0.00 O ATOM 759 CB LYS A 48 -11.589 0.965 -8.736 1.00 0.00 C ATOM 760 CG LYS A 48 -12.214 0.011 -9.756 1.00 0.00 C ATOM 761 CD LYS A 48 -13.354 0.692 -10.516 1.00 0.00 C ATOM 762 CE LYS A 48 -14.655 0.638 -9.715 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.678 1.516 -10.328 1.00 0.00 N ATOM 0 H LYS A 48 -10.257 1.998 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.256 -0.019 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.267 1.798 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.670 1.387 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.452 -0.325 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.590 -0.876 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.091 1.730 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.496 0.204 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.023 -0.387 -9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.469 0.949 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.555 1.468 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.331 2.496 -10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.867 1.202 -11.301 1.00 0.00 H new ATOM 776 N TRP A 49 -9.191 -0.944 -7.546 1.00 0.00 N ATOM 777 CA TRP A 49 -8.327 -2.101 -7.702 1.00 0.00 C ATOM 778 C TRP A 49 -8.329 -2.874 -6.380 1.00 0.00 C ATOM 779 O TRP A 49 -8.193 -4.096 -6.373 1.00 0.00 O ATOM 780 CB TRP A 49 -6.924 -1.682 -8.147 1.00 0.00 C ATOM 781 CG TRP A 49 -6.873 -1.072 -9.548 1.00 0.00 C ATOM 782 CD1 TRP A 49 -7.886 -0.881 -10.403 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.700 -0.579 -10.228 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.455 -0.302 -11.579 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.083 -0.112 -11.470 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.358 -0.527 -9.808 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.185 0.439 -12.393 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.474 0.026 -10.742 1.00 0.00 C ATOM 789 CH2 TRP A 49 -3.843 0.500 -11.995 1.00 0.00 C ATOM 0 H TRP A 49 -8.701 -0.063 -7.392 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.698 -2.756 -8.490 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.528 -0.960 -7.433 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.269 -2.553 -8.117 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.912 -1.147 -10.198 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.037 -0.058 -12.381 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.036 -0.885 -8.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.509 0.797 -13.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.431 0.089 -10.469 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.099 0.914 -12.659 1.00 0.00 H new ATOM 800 N ALA A 50 -8.486 -2.129 -5.297 1.00 0.00 N ATOM 801 CA ALA A 50 -8.507 -2.729 -3.972 1.00 0.00 C ATOM 802 C ALA A 50 -9.887 -3.343 -3.719 1.00 0.00 C ATOM 803 O ALA A 50 -10.070 -4.084 -2.755 1.00 0.00 O ATOM 804 CB ALA A 50 -8.137 -1.675 -2.928 1.00 0.00 C ATOM 0 H ALA A 50 -8.600 -1.115 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.771 -3.530 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.153 -2.125 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.138 -1.291 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.856 -0.856 -2.967 1.00 0.00 H new ATOM 810 N GLN A 51 -10.818 -3.011 -4.601 1.00 0.00 N ATOM 811 CA GLN A 51 -12.174 -3.522 -4.485 1.00 0.00 C ATOM 812 C GLN A 51 -12.454 -4.541 -5.589 1.00 0.00 C ATOM 813 O GLN A 51 -13.561 -5.071 -5.684 1.00 0.00 O ATOM 814 CB GLN A 51 -13.193 -2.381 -4.518 1.00 0.00 C ATOM 815 CG GLN A 51 -13.709 -2.150 -5.940 1.00 0.00 C ATOM 816 CD GLN A 51 -14.995 -2.941 -6.192 1.00 0.00 C ATOM 817 OE1 GLN A 51 -15.750 -3.251 -5.285 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.200 -3.249 -7.470 1.00 0.00 N ATOM 0 H GLN A 51 -10.661 -2.395 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.272 -4.025 -3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.028 -2.615 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.734 -1.467 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.895 -1.087 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.947 -2.448 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.527 -2.958 -8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.030 -3.776 -7.741 1.00 0.00 H new ATOM 827 N ASP A 52 -11.433 -4.786 -6.397 1.00 0.00 N ATOM 828 CA ASP A 52 -11.556 -5.733 -7.493 1.00 0.00 C ATOM 829 C ASP A 52 -11.509 -7.158 -6.938 1.00 0.00 C ATOM 830 O ASP A 52 -10.659 -7.476 -6.106 1.00 0.00 O ATOM 831 CB ASP A 52 -10.406 -5.576 -8.488 1.00 0.00 C ATOM 832 CG ASP A 52 -10.171 -6.781 -9.402 1.00 0.00 C ATOM 833 OD1 ASP A 52 -9.130 -7.450 -9.322 1.00 0.00 O ATOM 834 OD2 ASP A 52 -11.125 -7.027 -10.235 1.00 0.00 O ATOM 0 H ASP A 52 -10.517 -4.345 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.501 -5.540 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.599 -4.701 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.490 -5.377 -7.932 1.00 0.00 H new ATOM 840 N ALA A 53 -12.431 -7.977 -7.418 1.00 0.00 N ATOM 841 CA ALA A 53 -12.505 -9.361 -6.980 1.00 0.00 C ATOM 842 C ALA A 53 -11.170 -10.054 -7.262 1.00 0.00 C ATOM 843 O ALA A 53 -10.567 -10.638 -6.364 1.00 0.00 O ATOM 844 CB ALA A 53 -13.679 -10.055 -7.673 1.00 0.00 C ATOM 0 H ALA A 53 -13.134 -7.710 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.683 -9.413 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.734 -11.093 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.607 -9.544 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.534 -10.024 -8.753 1.00 0.00 H new ATOM 850 N LYS A 54 -10.747 -9.965 -8.515 1.00 0.00 N ATOM 851 CA LYS A 54 -9.495 -10.575 -8.927 1.00 0.00 C ATOM 852 C LYS A 54 -8.405 -10.226 -7.914 1.00 0.00 C ATOM 853 O LYS A 54 -7.590 -11.074 -7.554 1.00 0.00 O ATOM 854 CB LYS A 54 -9.151 -10.174 -10.364 1.00 0.00 C ATOM 855 CG LYS A 54 -9.732 -11.173 -11.366 1.00 0.00 C ATOM 856 CD LYS A 54 -8.621 -11.892 -12.132 1.00 0.00 C ATOM 857 CE LYS A 54 -9.197 -12.741 -13.267 1.00 0.00 C ATOM 858 NZ LYS A 54 -9.902 -13.923 -12.723 1.00 0.00 N ATOM 0 H LYS A 54 -11.250 -9.479 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.585 -11.661 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.541 -9.178 -10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.069 -10.123 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.348 -11.903 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.384 -10.652 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.923 -11.160 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.056 -12.527 -11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.885 -12.142 -13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.395 -13.062 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.272 -14.498 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.240 -14.493 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.690 -13.610 -12.121 1.00 0.00 H new ATOM 871 N PHE A 55 -8.422 -8.973 -7.480 1.00 0.00 N ATOM 872 CA PHE A 55 -7.446 -8.501 -6.514 1.00 0.00 C ATOM 873 C PHE A 55 -7.797 -8.974 -5.101 1.00 0.00 C ATOM 874 O PHE A 55 -6.915 -9.131 -4.258 1.00 0.00 O ATOM 875 CB PHE A 55 -7.483 -6.972 -6.552 1.00 0.00 C ATOM 876 CG PHE A 55 -6.117 -6.322 -6.778 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.005 -6.857 -6.209 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.016 -5.208 -7.553 1.00 0.00 C ATOM 879 CE1 PHE A 55 -3.738 -6.254 -6.420 1.00 0.00 C ATOM 880 CE2 PHE A 55 -4.747 -4.604 -7.764 1.00 0.00 C ATOM 881 CZ PHE A 55 -3.635 -5.140 -7.194 1.00 0.00 C ATOM 0 H PHE A 55 -9.098 -8.271 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.459 -8.891 -6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.160 -6.655 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.897 -6.605 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.086 -7.742 -5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.899 -4.783 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.855 -6.680 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.666 -3.719 -8.377 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.671 -4.682 -7.356 1.00 0.00 H new ATOM 891 N SER A 56 -9.087 -9.188 -4.888 1.00 0.00 N ATOM 892 CA SER A 56 -9.567 -9.640 -3.593 1.00 0.00 C ATOM 893 C SER A 56 -8.686 -10.781 -3.079 1.00 0.00 C ATOM 894 O SER A 56 -8.363 -10.833 -1.893 1.00 0.00 O ATOM 895 CB SER A 56 -11.027 -10.091 -3.672 1.00 0.00 C ATOM 896 OG SER A 56 -11.593 -10.295 -2.380 1.00 0.00 O ATOM 0 H SER A 56 -9.815 -9.057 -5.591 1.00 0.00 H new ATOM 0 HA SER A 56 -9.512 -8.803 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.609 -9.342 -4.209 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.090 -11.016 -4.246 1.00 0.00 H new ATOM 0 HG SER A 56 -12.526 -10.581 -2.473 1.00 0.00 H new ATOM 902 N SER A 57 -8.323 -11.667 -3.995 1.00 0.00 N ATOM 903 CA SER A 57 -7.486 -12.803 -3.649 1.00 0.00 C ATOM 904 C SER A 57 -6.419 -12.377 -2.639 1.00 0.00 C ATOM 905 O SER A 57 -6.382 -12.886 -1.520 1.00 0.00 O ATOM 906 CB SER A 57 -6.831 -13.403 -4.893 1.00 0.00 C ATOM 907 OG SER A 57 -5.818 -14.349 -4.561 1.00 0.00 O ATOM 0 H SER A 57 -8.594 -11.621 -4.977 1.00 0.00 H new ATOM 0 HA SER A 57 -8.117 -13.570 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.592 -13.887 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.398 -12.604 -5.495 1.00 0.00 H new ATOM 0 HG SER A 57 -5.426 -14.710 -5.383 1.00 0.00 H new ATOM 913 N ALA A 58 -5.577 -11.452 -3.072 1.00 0.00 N ATOM 914 CA ALA A 58 -4.511 -10.952 -2.219 1.00 0.00 C ATOM 915 C ALA A 58 -4.945 -9.629 -1.589 1.00 0.00 C ATOM 916 O ALA A 58 -5.921 -9.020 -2.024 1.00 0.00 O ATOM 917 CB ALA A 58 -3.225 -10.815 -3.038 1.00 0.00 C ATOM 0 H ALA A 58 -5.610 -11.035 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.308 -11.651 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.425 -10.440 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.943 -11.789 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.390 -10.118 -3.860 1.00 0.00 H new ATOM 923 N ASN A 59 -4.200 -9.221 -0.572 1.00 0.00 N ATOM 924 CA ASN A 59 -4.496 -7.980 0.124 1.00 0.00 C ATOM 925 C ASN A 59 -3.760 -6.828 -0.564 1.00 0.00 C ATOM 926 O ASN A 59 -2.574 -6.937 -0.870 1.00 0.00 O ATOM 927 CB ASN A 59 -4.028 -8.039 1.579 1.00 0.00 C ATOM 928 CG ASN A 59 -4.692 -9.200 2.322 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.411 -10.005 1.754 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.412 -9.241 3.622 1.00 0.00 N ATOM 0 H ASN A 59 -3.391 -9.728 -0.213 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.575 -7.828 0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.945 -8.154 1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.264 -7.100 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.807 -9.978 4.206 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.802 -8.535 4.035 1.00 0.00 H new ATOM 937 N LEU A 60 -4.496 -5.748 -0.785 1.00 0.00 N ATOM 938 CA LEU A 60 -3.928 -4.576 -1.431 1.00 0.00 C ATOM 939 C LEU A 60 -4.164 -3.349 -0.549 1.00 0.00 C ATOM 940 O LEU A 60 -5.296 -3.067 -0.160 1.00 0.00 O ATOM 941 CB LEU A 60 -4.478 -4.427 -2.851 1.00 0.00 C ATOM 942 CG LEU A 60 -3.789 -3.382 -3.731 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.442 -3.313 -5.113 1.00 0.00 C ATOM 944 CD2 LEU A 60 -3.763 -2.016 -3.041 1.00 0.00 C ATOM 0 H LEU A 60 -5.479 -5.660 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.849 -4.687 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.410 -5.394 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.537 -4.176 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.753 -3.689 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.934 -2.563 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.366 -4.285 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.492 -3.042 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.268 -1.291 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.784 -1.689 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.219 -2.094 -2.100 1.00 0.00 H new ATOM 956 N ILE A 61 -3.075 -2.652 -0.257 1.00 0.00 N ATOM 957 CA ILE A 61 -3.150 -1.462 0.573 1.00 0.00 C ATOM 958 C ILE A 61 -2.010 -0.511 0.197 1.00 0.00 C ATOM 959 O ILE A 61 -1.039 -0.922 -0.435 1.00 0.00 O ATOM 960 CB ILE A 61 -3.170 -1.842 2.054 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.813 -2.389 2.499 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.308 -2.819 2.355 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.618 -2.217 4.008 1.00 0.00 C ATOM 0 H ILE A 61 -2.137 -2.889 -0.580 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.084 -0.929 0.392 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.359 -0.939 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.739 -3.445 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.016 -1.872 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.299 -3.073 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.262 -2.356 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.175 -3.725 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.645 -2.614 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.668 -1.158 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.402 -2.756 4.540 1.00 0.00 H new ATOM 975 N THR A 62 -2.169 0.740 0.602 1.00 0.00 N ATOM 976 CA THR A 62 -1.165 1.752 0.316 1.00 0.00 C ATOM 977 C THR A 62 -0.480 2.204 1.608 1.00 0.00 C ATOM 978 O THR A 62 -1.041 2.064 2.693 1.00 0.00 O ATOM 979 CB THR A 62 -1.847 2.892 -0.442 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.610 3.565 0.556 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.895 2.389 -1.438 1.00 0.00 C ATOM 0 H THR A 62 -2.977 1.076 1.126 1.00 0.00 H new ATOM 0 HA THR A 62 -0.369 1.354 -0.314 1.00 0.00 H new ATOM 0 HB THR A 62 -1.095 3.477 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.560 3.355 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.349 3.238 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.418 1.738 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.666 1.832 -0.905 1.00 0.00 H new ATOM 989 N VAL A 63 0.721 2.737 1.447 1.00 0.00 N ATOM 990 CA VAL A 63 1.488 3.211 2.586 1.00 0.00 C ATOM 991 C VAL A 63 1.981 4.633 2.308 1.00 0.00 C ATOM 992 O VAL A 63 2.304 4.970 1.170 1.00 0.00 O ATOM 993 CB VAL A 63 2.625 2.235 2.894 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.798 2.954 3.563 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.130 1.073 3.759 1.00 0.00 C ATOM 0 H VAL A 63 1.183 2.851 0.545 1.00 0.00 H new ATOM 0 HA VAL A 63 0.862 3.252 3.477 1.00 0.00 H new ATOM 0 HB VAL A 63 2.979 1.823 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.593 2.238 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.175 3.731 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.463 3.406 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.957 0.394 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.738 1.461 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.342 0.536 3.231 1.00 0.00 H new ATOM 1005 N ALA A 64 2.022 5.428 3.367 1.00 0.00 N ATOM 1006 CA ALA A 64 2.469 6.807 3.251 1.00 0.00 C ATOM 1007 C ALA A 64 3.463 7.112 4.375 1.00 0.00 C ATOM 1008 O ALA A 64 3.372 6.541 5.461 1.00 0.00 O ATOM 1009 CB ALA A 64 1.257 7.740 3.273 1.00 0.00 C ATOM 0 H ALA A 64 1.753 5.144 4.309 1.00 0.00 H new ATOM 0 HA ALA A 64 2.984 6.966 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.592 8.774 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.598 7.501 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.716 7.612 4.210 1.00 0.00 H new ATOM 1015 N SER A 65 4.388 8.010 4.073 1.00 0.00 N ATOM 1016 CA SER A 65 5.397 8.397 5.045 1.00 0.00 C ATOM 1017 C SER A 65 5.304 9.900 5.325 1.00 0.00 C ATOM 1018 O SER A 65 5.658 10.717 4.476 1.00 0.00 O ATOM 1019 CB SER A 65 6.801 8.036 4.555 1.00 0.00 C ATOM 1020 OG SER A 65 6.985 6.626 4.457 1.00 0.00 O ATOM 0 H SER A 65 4.461 8.480 3.171 1.00 0.00 H new ATOM 0 HA SER A 65 5.211 7.848 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.974 8.493 3.581 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.542 8.452 5.238 1.00 0.00 H new ATOM 0 HG SER A 65 7.827 6.437 3.992 1.00 0.00 H new ATOM 1026 N PRO A 66 4.814 10.226 6.550 1.00 0.00 N ATOM 1027 CA PRO A 66 4.669 11.615 6.953 1.00 0.00 C ATOM 1028 C PRO A 66 6.028 12.231 7.294 1.00 0.00 C ATOM 1029 O PRO A 66 6.808 11.646 8.046 1.00 0.00 O ATOM 1030 CB PRO A 66 3.717 11.585 8.137 1.00 0.00 C ATOM 1031 CG PRO A 66 3.728 10.152 8.645 1.00 0.00 C ATOM 1032 CD PRO A 66 4.384 9.286 7.582 1.00 0.00 C ATOM 0 HA PRO A 66 4.272 12.245 6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.039 12.277 8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.713 11.886 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.276 10.084 9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.712 9.809 8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.229 8.732 7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.684 8.552 7.182 1.00 0.00 H new ATOM 1040 N GLY A 67 6.270 13.403 6.728 1.00 0.00 N ATOM 1041 CA GLY A 67 7.520 14.105 6.963 1.00 0.00 C ATOM 1042 C GLY A 67 8.669 13.450 6.194 1.00 0.00 C ATOM 1043 O GLY A 67 9.829 13.817 6.371 1.00 0.00 O ATOM 0 H GLY A 67 5.621 13.885 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.420 15.146 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.746 14.107 8.029 1.00 0.00 H new ATOM 1047 N PHE A 68 8.307 12.490 5.355 1.00 0.00 N ATOM 1048 CA PHE A 68 9.292 11.781 4.559 1.00 0.00 C ATOM 1049 C PHE A 68 9.193 12.177 3.084 1.00 0.00 C ATOM 1050 O PHE A 68 8.101 12.223 2.523 1.00 0.00 O ATOM 1051 CB PHE A 68 8.987 10.287 4.695 1.00 0.00 C ATOM 1052 CG PHE A 68 10.187 9.379 4.423 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.411 9.701 4.922 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.032 8.249 3.682 1.00 0.00 C ATOM 1055 CE1 PHE A 68 12.526 8.858 4.669 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.146 7.406 3.429 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.371 7.729 3.928 1.00 0.00 C ATOM 0 H PHE A 68 7.344 12.187 5.210 1.00 0.00 H new ATOM 0 HA PHE A 68 10.296 12.025 4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.618 10.092 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.184 10.027 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.535 10.598 5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.061 7.993 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.497 9.114 5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.022 6.509 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.219 7.089 3.735 1.00 0.00 H new ATOM 1067 N LEU A 69 10.350 12.450 2.500 1.00 0.00 N ATOM 1068 CA LEU A 69 10.409 12.842 1.102 1.00 0.00 C ATOM 1069 C LEU A 69 9.540 14.084 0.886 1.00 0.00 C ATOM 1070 O LEU A 69 8.773 14.150 -0.072 1.00 0.00 O ATOM 1071 CB LEU A 69 10.030 11.665 0.200 1.00 0.00 C ATOM 1072 CG LEU A 69 11.111 10.601 -0.003 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.445 9.901 1.316 1.00 0.00 C ATOM 1074 CD2 LEU A 69 10.703 9.605 -1.092 1.00 0.00 C ATOM 0 H LEU A 69 11.255 12.408 2.969 1.00 0.00 H new ATOM 0 HA LEU A 69 11.428 13.113 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.147 11.182 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.747 12.058 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 69 12.019 11.098 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.216 9.150 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.808 10.635 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.550 9.419 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.489 8.860 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.776 9.110 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.554 10.135 -2.033 1.00 0.00 H new ATOM 1086 N HIS A 70 9.691 15.036 1.796 1.00 0.00 N ATOM 1087 CA HIS A 70 8.932 16.272 1.717 1.00 0.00 C ATOM 1088 C HIS A 70 7.435 15.955 1.713 1.00 0.00 C ATOM 1089 O HIS A 70 6.670 16.564 0.968 1.00 0.00 O ATOM 1090 CB HIS A 70 9.366 17.100 0.507 1.00 0.00 C ATOM 1091 CG HIS A 70 9.737 18.526 0.841 1.00 0.00 C ATOM 1092 ND1 HIS A 70 11.034 19.002 0.760 1.00 0.00 N ATOM 1093 CD2 HIS A 70 8.967 19.574 1.257 1.00 0.00 C ATOM 1094 CE1 HIS A 70 11.033 20.279 1.114 1.00 0.00 C ATOM 1095 NE2 HIS A 70 9.752 20.632 1.421 1.00 0.00 N ATOM 0 H HIS A 70 10.327 14.976 2.591 1.00 0.00 H new ATOM 0 HA HIS A 70 9.136 16.885 2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.220 16.614 0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.558 17.107 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.900 19.547 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 70 11.896 20.927 1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.447 21.556 1.726 1.00 0.00 H new ATOM 1104 N GLU A 71 7.062 15.001 2.553 1.00 0.00 N ATOM 1105 CA GLU A 71 5.671 14.595 2.656 1.00 0.00 C ATOM 1106 C GLU A 71 5.018 15.241 3.879 1.00 0.00 C ATOM 1107 O GLU A 71 5.682 15.488 4.884 1.00 0.00 O ATOM 1108 CB GLU A 71 5.546 13.072 2.709 1.00 0.00 C ATOM 1109 CG GLU A 71 4.098 12.648 2.964 1.00 0.00 C ATOM 1110 CD GLU A 71 3.229 12.895 1.730 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.402 13.913 1.044 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.348 11.983 1.492 1.00 0.00 O ATOM 0 H GLU A 71 7.700 14.497 3.169 1.00 0.00 H new ATOM 0 HA GLU A 71 5.147 14.939 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.894 12.642 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.188 12.678 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.066 11.591 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.697 13.202 3.812 1.00 0.00 H new ATOM 1120 N LYS A 72 3.724 15.496 3.753 1.00 0.00 N ATOM 1121 CA LYS A 72 2.975 16.110 4.837 1.00 0.00 C ATOM 1122 C LYS A 72 3.229 15.334 6.131 1.00 0.00 C ATOM 1123 O LYS A 72 3.167 14.106 6.146 1.00 0.00 O ATOM 1124 CB LYS A 72 1.493 16.219 4.469 1.00 0.00 C ATOM 1125 CG LYS A 72 1.120 17.662 4.121 1.00 0.00 C ATOM 1126 CD LYS A 72 -0.391 17.879 4.228 1.00 0.00 C ATOM 1127 CE LYS A 72 -0.738 19.365 4.132 1.00 0.00 C ATOM 1128 NZ LYS A 72 -2.179 19.542 3.838 1.00 0.00 N ATOM 0 H LYS A 72 3.176 15.289 2.918 1.00 0.00 H new ATOM 0 HA LYS A 72 3.316 17.132 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.276 15.569 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.881 15.872 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.638 18.347 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.454 17.894 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.898 17.331 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.754 17.477 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.487 19.864 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.141 19.834 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.399 20.557 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.408 19.082 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.744 19.111 4.598 1.00 0.00 H new ATOM 1141 N LYS A 73 3.511 16.083 7.187 1.00 0.00 N ATOM 1142 CA LYS A 73 3.775 15.482 8.483 1.00 0.00 C ATOM 1143 C LYS A 73 2.506 14.797 8.991 1.00 0.00 C ATOM 1144 O LYS A 73 1.412 15.062 8.496 1.00 0.00 O ATOM 1145 CB LYS A 73 4.343 16.523 9.451 1.00 0.00 C ATOM 1146 CG LYS A 73 4.869 15.857 10.724 1.00 0.00 C ATOM 1147 CD LYS A 73 6.014 16.670 11.334 1.00 0.00 C ATOM 1148 CE LYS A 73 7.349 15.941 11.177 1.00 0.00 C ATOM 1149 NZ LYS A 73 8.449 16.737 11.766 1.00 0.00 N ATOM 0 H LYS A 73 3.562 17.102 7.171 1.00 0.00 H new ATOM 0 HA LYS A 73 4.540 14.711 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.148 17.075 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.569 17.247 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.061 15.760 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.215 14.849 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.069 17.646 10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.815 16.848 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.297 14.967 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.549 15.760 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.348 16.226 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.509 17.657 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.265 16.888 12.778 1.00 0.00 H new ATOM 1162 N ASP A 74 2.694 13.928 9.974 1.00 0.00 N ATOM 1163 CA ASP A 74 1.577 13.203 10.556 1.00 0.00 C ATOM 1164 C ASP A 74 0.475 14.192 10.939 1.00 0.00 C ATOM 1165 O ASP A 74 0.759 15.340 11.277 1.00 0.00 O ATOM 1166 CB ASP A 74 2.004 12.456 11.820 1.00 0.00 C ATOM 1167 CG ASP A 74 0.870 12.141 12.799 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.578 12.927 13.712 1.00 0.00 O ATOM 1169 OD2 ASP A 74 0.268 11.019 12.592 1.00 0.00 O ATOM 0 H ASP A 74 3.603 13.710 10.382 1.00 0.00 H new ATOM 0 HA ASP A 74 1.220 12.486 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.482 11.521 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.757 13.050 12.338 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.758 13.713 10.873 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.902 14.541 11.209 1.00 0.00 C ATOM 1177 C GLY A 75 -2.312 15.417 10.024 1.00 0.00 C ATOM 1178 O GLY A 75 -3.483 15.451 9.648 1.00 0.00 O ATOM 0 H GLY A 75 -0.990 12.760 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.739 13.908 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.660 15.171 12.065 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.325 16.106 9.469 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.568 16.980 8.334 1.00 0.00 C ATOM 1184 C ASP A 76 -1.843 16.130 7.092 1.00 0.00 C ATOM 1185 O ASP A 76 -2.593 16.542 6.206 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.351 17.858 8.045 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.195 19.070 8.967 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.292 20.225 8.524 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.038 18.789 10.203 1.00 0.00 O ATOM 0 H ASP A 76 -0.355 16.076 9.785 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.421 17.614 8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.547 17.245 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.411 18.209 7.015 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.222 14.960 7.064 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.391 14.050 5.944 1.00 0.00 C ATOM 1197 C PHE A 77 -2.731 13.316 6.030 1.00 0.00 C ATOM 1198 O PHE A 77 -3.541 13.385 5.109 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.256 13.026 6.025 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.447 11.812 5.113 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.172 10.745 5.546 1.00 0.00 C ATOM 1202 CD2 PHE A 77 0.110 11.799 3.873 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.350 9.619 4.700 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.068 10.671 3.027 1.00 0.00 C ATOM 1205 CZ PHE A 77 -0.794 9.605 3.458 1.00 0.00 C ATOM 0 H PHE A 77 -0.601 14.621 7.799 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.372 14.606 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.682 13.517 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.163 12.683 7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.612 10.755 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.687 12.645 3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.927 8.773 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.373 10.660 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.929 8.748 2.815 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.922 12.629 7.149 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.150 11.883 7.368 1.00 0.00 C ATOM 1217 C GLN A 78 -5.366 12.775 7.108 1.00 0.00 C ATOM 1218 O GLN A 78 -6.431 12.285 6.739 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.191 11.299 8.781 1.00 0.00 C ATOM 1220 CG GLN A 78 -4.037 12.399 9.834 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.839 11.800 11.227 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.734 11.517 11.658 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.970 11.623 11.905 1.00 0.00 N ATOM 0 H GLN A 78 -2.247 12.574 7.912 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.177 11.051 6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.134 10.774 8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.394 10.565 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.186 13.032 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.921 13.037 9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.863 11.882 11.484 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.945 11.229 12.845 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.165 14.069 7.308 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.232 15.033 7.099 1.00 0.00 C ATOM 1234 C LYS A 79 -6.575 15.093 5.609 1.00 0.00 C ATOM 1235 O LYS A 79 -7.749 15.122 5.240 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.853 16.389 7.698 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.675 16.682 8.955 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.506 18.138 9.395 1.00 0.00 C ATOM 1239 CE LYS A 79 -5.187 18.335 10.146 1.00 0.00 C ATOM 1240 NZ LYS A 79 -5.250 19.543 10.997 1.00 0.00 N ATOM 0 H LYS A 79 -4.279 14.473 7.613 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.136 14.720 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.791 16.398 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.017 17.175 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.728 16.477 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.364 16.017 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.533 18.791 8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.340 18.427 10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.978 17.460 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.367 18.427 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.347 19.661 11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.428 20.378 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.020 19.441 11.689 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.531 15.108 4.794 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.707 15.164 3.353 1.00 0.00 C ATOM 1255 C TRP A 80 -6.626 14.011 2.944 1.00 0.00 C ATOM 1256 O TRP A 80 -7.643 14.226 2.286 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.358 15.136 2.635 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.449 15.392 1.129 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.420 15.015 0.285 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.488 16.101 0.318 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -5.157 15.427 -1.006 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.944 16.109 -0.985 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.275 16.716 0.672 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -3.250 16.718 -2.037 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -1.592 17.320 -0.391 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -2.039 17.335 -1.708 1.00 0.00 C ATOM 0 H TRP A 80 -4.560 15.082 5.104 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.174 16.103 3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.705 15.885 3.082 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.890 14.166 2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.298 14.459 0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.743 15.262 -1.824 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.899 16.722 1.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.629 16.712 -3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.653 17.808 -0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.453 17.821 -2.474 1.00 0.00 H new ATOM 1383 N LYS A 88 -12.933 4.463 1.699 1.00 0.00 N ATOM 1384 CA LYS A 88 -12.923 3.012 1.775 1.00 0.00 C ATOM 1385 C LYS A 88 -11.585 2.488 1.249 1.00 0.00 C ATOM 1386 O LYS A 88 -11.308 1.292 1.333 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.138 2.430 1.051 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.334 2.305 1.998 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.567 1.782 1.260 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.596 1.218 2.241 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.522 0.294 1.549 1.00 0.00 N ATOM 0 HA LYS A 88 -13.010 2.684 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.403 3.068 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.888 1.450 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.084 1.632 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.555 3.277 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.016 2.588 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.270 1.007 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.087 0.693 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.159 2.033 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.214 -0.079 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.022 0.805 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.983 -0.494 1.137 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.791 3.407 0.723 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.488 3.052 0.184 1.00 0.00 C ATOM 1406 C LEU A 89 -8.508 2.833 1.338 1.00 0.00 C ATOM 1407 O LEU A 89 -8.486 3.606 2.296 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.023 4.101 -0.828 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.560 4.536 -0.718 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.636 3.531 -1.408 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.368 5.955 -1.257 1.00 0.00 C ATOM 0 H LEU A 89 -11.024 4.398 0.658 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.546 2.114 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.190 3.709 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.653 4.984 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.287 4.553 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.602 3.864 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.746 2.554 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.900 3.458 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.320 6.240 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.665 5.989 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.983 6.648 -0.683 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.699 1.748 1.207 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.718 1.417 2.227 1.00 0.00 C ATOM 1425 C PRO A 90 -5.517 2.364 2.160 1.00 0.00 C ATOM 1426 O PRO A 90 -4.918 2.539 1.100 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.346 -0.032 1.960 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.779 -0.317 0.530 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.696 0.810 0.087 1.00 0.00 C ATOM 0 HA PRO A 90 -7.107 1.535 3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.274 -0.189 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.848 -0.700 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.911 -0.383 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.296 -1.275 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.330 1.283 -0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.700 0.443 -0.125 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.202 2.949 3.305 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.084 3.873 3.391 1.00 0.00 C ATOM 1439 C VAL A 91 -3.382 3.695 4.739 1.00 0.00 C ATOM 1440 O VAL A 91 -3.996 3.883 5.790 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.568 5.304 3.152 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.544 6.322 3.659 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -4.886 5.537 1.673 1.00 0.00 C ATOM 0 H VAL A 91 -5.702 2.801 4.182 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.351 3.659 2.613 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.489 5.444 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.913 7.331 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.389 6.180 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.600 6.181 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.228 6.562 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.989 5.368 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.668 4.847 1.356 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.110 3.338 4.666 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.319 3.133 5.869 1.00 0.00 C ATOM 1455 C VAL A 92 -0.299 4.266 6.001 1.00 0.00 C ATOM 1456 O VAL A 92 0.314 4.673 5.016 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.673 1.747 5.840 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.138 1.493 7.112 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.724 0.655 5.632 1.00 0.00 C ATOM 0 H VAL A 92 -1.606 3.185 3.793 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.954 3.162 6.754 1.00 0.00 H new ATOM 0 HB VAL A 92 0.013 1.716 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.587 0.501 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.924 2.243 7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.518 1.554 7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.237 -0.320 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.447 0.686 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.238 0.820 4.685 1.00 0.00 H new ATOM 1469 N THR A 93 -0.150 4.743 7.229 1.00 0.00 N ATOM 1470 CA THR A 93 0.785 5.821 7.503 1.00 0.00 C ATOM 1471 C THR A 93 1.860 5.357 8.488 1.00 0.00 C ATOM 1472 O THR A 93 1.555 5.011 9.628 1.00 0.00 O ATOM 1473 CB THR A 93 -0.016 7.025 8.003 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.993 6.456 8.871 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.841 7.681 6.893 1.00 0.00 C ATOM 0 H THR A 93 -0.661 4.403 8.044 1.00 0.00 H new ATOM 0 HA THR A 93 1.320 6.119 6.601 1.00 0.00 H new ATOM 0 HB THR A 93 0.664 7.760 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.554 5.853 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.390 8.530 7.301 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.176 8.026 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.545 6.955 6.486 1.00 0.00 H new ATOM 1483 N ASP A 94 3.095 5.362 8.011 1.00 0.00 N ATOM 1484 CA ASP A 94 4.218 4.946 8.834 1.00 0.00 C ATOM 1485 C ASP A 94 5.141 6.141 9.074 1.00 0.00 C ATOM 1486 O ASP A 94 5.790 6.626 8.148 1.00 0.00 O ATOM 1487 CB ASP A 94 5.033 3.850 8.143 1.00 0.00 C ATOM 1488 CG ASP A 94 6.203 3.301 8.960 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.640 3.916 9.944 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.677 2.175 8.544 1.00 0.00 O ATOM 0 H ASP A 94 3.344 5.648 7.064 1.00 0.00 H new ATOM 0 HA ASP A 94 3.821 4.562 9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.366 3.025 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.419 4.244 7.203 1.00 0.00 H new ATOM 1496 N ASN A 95 5.171 6.584 10.322 1.00 0.00 N ATOM 1497 CA ASN A 95 6.004 7.715 10.695 1.00 0.00 C ATOM 1498 C ASN A 95 7.468 7.381 10.407 1.00 0.00 C ATOM 1499 O ASN A 95 8.032 6.471 11.010 1.00 0.00 O ATOM 1500 CB ASN A 95 5.875 8.026 12.189 1.00 0.00 C ATOM 1501 CG ASN A 95 4.420 7.910 12.649 1.00 0.00 C ATOM 1502 OD1 ASN A 95 3.896 6.831 12.873 1.00 0.00 O ATOM 1503 ND2 ASN A 95 3.801 9.079 12.778 1.00 0.00 N ATOM 0 H ASN A 95 4.632 6.180 11.088 1.00 0.00 H new ATOM 0 HA ASN A 95 5.677 8.579 10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.497 7.339 12.762 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.244 9.032 12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.828 9.110 13.081 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.299 9.945 12.574 1.00 0.00 H new ATOM 1510 N GLY A 96 8.044 8.137 9.482 1.00 0.00 N ATOM 1511 CA GLY A 96 9.431 7.933 9.107 1.00 0.00 C ATOM 1512 C GLY A 96 9.550 6.891 7.992 1.00 0.00 C ATOM 1513 O GLY A 96 10.561 6.836 7.293 1.00 0.00 O ATOM 0 H GLY A 96 7.574 8.891 8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.864 8.877 8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.002 7.608 9.976 1.00 0.00 H new ATOM 1517 N GLY A 97 8.502 6.091 7.860 1.00 0.00 N ATOM 1518 CA GLY A 97 8.476 5.054 6.842 1.00 0.00 C ATOM 1519 C GLY A 97 9.559 4.005 7.101 1.00 0.00 C ATOM 1520 O GLY A 97 10.552 3.941 6.379 1.00 0.00 O ATOM 0 H GLY A 97 7.665 6.140 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.497 4.576 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.625 5.501 5.859 1.00 0.00 H new ATOM 1524 N THR A 98 9.330 3.207 8.135 1.00 0.00 N ATOM 1525 CA THR A 98 10.274 2.164 8.499 1.00 0.00 C ATOM 1526 C THR A 98 10.317 1.083 7.417 1.00 0.00 C ATOM 1527 O THR A 98 11.373 0.514 7.144 1.00 0.00 O ATOM 1528 CB THR A 98 9.879 1.628 9.876 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.435 2.571 10.788 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.586 0.315 10.219 1.00 0.00 C ATOM 0 H THR A 98 8.505 3.262 8.732 1.00 0.00 H new ATOM 0 HA THR A 98 11.289 2.555 8.565 1.00 0.00 H new ATOM 0 HB THR A 98 8.800 1.478 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.225 2.301 11.706 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.270 -0.021 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.328 -0.442 9.478 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.665 0.471 10.217 1.00 0.00 H new ATOM 1538 N ILE A 99 9.157 0.834 6.827 1.00 0.00 N ATOM 1539 CA ILE A 99 9.049 -0.168 5.780 1.00 0.00 C ATOM 1540 C ILE A 99 9.674 0.376 4.493 1.00 0.00 C ATOM 1541 O ILE A 99 10.250 -0.379 3.712 1.00 0.00 O ATOM 1542 CB ILE A 99 7.596 -0.618 5.617 1.00 0.00 C ATOM 1543 CG1 ILE A 99 7.059 -1.219 6.917 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.450 -1.581 4.437 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.883 -0.401 7.455 1.00 0.00 C ATOM 0 H ILE A 99 8.283 1.309 7.054 1.00 0.00 H new ATOM 0 HA ILE A 99 9.607 -1.064 6.051 1.00 0.00 H new ATOM 0 HB ILE A 99 6.989 0.260 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.742 -2.247 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.854 -1.253 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.408 -1.886 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.767 -1.084 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.071 -2.460 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.520 -0.850 8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.210 0.620 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.080 -0.390 6.718 1.00 0.00 H new ATOM 1557 N ALA A 100 9.535 1.682 4.313 1.00 0.00 N ATOM 1558 CA ALA A 100 10.077 2.336 3.135 1.00 0.00 C ATOM 1559 C ALA A 100 11.603 2.377 3.236 1.00 0.00 C ATOM 1560 O ALA A 100 12.301 2.195 2.240 1.00 0.00 O ATOM 1561 CB ALA A 100 9.464 3.731 2.996 1.00 0.00 C ATOM 0 H ALA A 100 9.055 2.304 4.963 1.00 0.00 H new ATOM 0 HA ALA A 100 9.821 1.777 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.871 4.221 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.382 3.645 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.701 4.322 3.880 1.00 0.00 H new ATOM 1567 N GLN A 101 12.077 2.620 4.449 1.00 0.00 N ATOM 1568 CA GLN A 101 13.507 2.689 4.695 1.00 0.00 C ATOM 1569 C GLN A 101 14.091 1.280 4.825 1.00 0.00 C ATOM 1570 O GLN A 101 15.221 1.031 4.406 1.00 0.00 O ATOM 1571 CB GLN A 101 13.811 3.525 5.939 1.00 0.00 C ATOM 1572 CG GLN A 101 14.476 4.850 5.561 1.00 0.00 C ATOM 1573 CD GLN A 101 14.624 5.759 6.783 1.00 0.00 C ATOM 1574 OE1 GLN A 101 15.654 5.802 7.434 1.00 0.00 O ATOM 1575 NE2 GLN A 101 13.539 6.477 7.056 1.00 0.00 N ATOM 0 H GLN A 101 11.495 2.772 5.273 1.00 0.00 H new ATOM 0 HA GLN A 101 13.979 3.181 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.888 3.720 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.464 2.964 6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 101 15.457 4.657 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.882 5.354 4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.710 6.392 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.536 7.113 7.853 1.00 0.00 H new ATOM 1584 N SER A 102 13.296 0.395 5.407 1.00 0.00 N ATOM 1585 CA SER A 102 13.719 -0.982 5.598 1.00 0.00 C ATOM 1586 C SER A 102 13.904 -1.664 4.242 1.00 0.00 C ATOM 1587 O SER A 102 14.820 -2.466 4.067 1.00 0.00 O ATOM 1588 CB SER A 102 12.710 -1.755 6.450 1.00 0.00 C ATOM 1589 OG SER A 102 12.932 -1.565 7.844 1.00 0.00 O ATOM 0 H SER A 102 12.360 0.605 5.753 1.00 0.00 H new ATOM 0 HA SER A 102 14.672 -0.978 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.700 -1.433 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.775 -2.817 6.214 1.00 0.00 H new ATOM 0 HG SER A 102 12.456 -0.763 8.145 1.00 0.00 H new ATOM 1595 N LEU A 103 13.019 -1.322 3.317 1.00 0.00 N ATOM 1596 CA LEU A 103 13.072 -1.893 1.982 1.00 0.00 C ATOM 1597 C LEU A 103 13.923 -0.995 1.082 1.00 0.00 C ATOM 1598 O LEU A 103 14.141 -1.309 -0.086 1.00 0.00 O ATOM 1599 CB LEU A 103 11.660 -2.140 1.448 1.00 0.00 C ATOM 1600 CG LEU A 103 10.840 -3.201 2.183 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.350 -3.063 1.862 1.00 0.00 C ATOM 1602 CD2 LEU A 103 11.363 -4.606 1.881 1.00 0.00 C ATOM 0 H LEU A 103 12.261 -0.656 3.466 1.00 0.00 H new ATOM 0 HA LEU A 103 13.554 -2.871 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.111 -1.199 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.735 -2.429 0.400 1.00 0.00 H new ATOM 0 HG LEU A 103 10.955 -3.038 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.790 -3.830 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.001 -2.077 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.196 -3.184 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.762 -5.341 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.299 -4.796 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 103 12.402 -4.684 2.201 1.00 0.00 H new ATOM 1614 N ASN A 104 14.380 0.106 1.661 1.00 0.00 N ATOM 1615 CA ASN A 104 15.200 1.053 0.926 1.00 0.00 C ATOM 1616 C ASN A 104 14.437 1.530 -0.311 1.00 0.00 C ATOM 1617 O ASN A 104 14.916 1.384 -1.435 1.00 0.00 O ATOM 1618 CB ASN A 104 16.504 0.403 0.456 1.00 0.00 C ATOM 1619 CG ASN A 104 17.319 1.369 -0.406 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.589 1.126 -1.570 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.694 2.475 0.230 1.00 0.00 N ATOM 0 H ASN A 104 14.198 0.363 2.631 1.00 0.00 H new ATOM 0 HA ASN A 104 15.431 1.886 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.093 0.096 1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.280 -0.498 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.242 3.183 -0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.433 2.615 1.206 1.00 0.00 H new ATOM 1628 N ILE A 105 13.264 2.093 -0.062 1.00 0.00 N ATOM 1629 CA ILE A 105 12.429 2.592 -1.142 1.00 0.00 C ATOM 1630 C ILE A 105 12.788 4.054 -1.423 1.00 0.00 C ATOM 1631 O ILE A 105 13.558 4.342 -2.339 1.00 0.00 O ATOM 1632 CB ILE A 105 10.950 2.373 -0.821 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.640 0.885 -0.651 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.057 3.028 -1.879 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.200 0.675 -0.177 1.00 0.00 C ATOM 0 H ILE A 105 12.872 2.215 0.872 1.00 0.00 H new ATOM 0 HA ILE A 105 12.618 2.034 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 105 10.731 2.858 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 105 10.794 0.367 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.331 0.446 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.010 2.858 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 105 10.254 4.100 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.271 2.593 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.006 -0.392 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.056 1.173 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.511 1.094 -0.910 1.00 0.00 H new ATOM 1647 N SER A 106 12.214 4.936 -0.619 1.00 0.00 N ATOM 1648 CA SER A 106 12.463 6.360 -0.769 1.00 0.00 C ATOM 1649 C SER A 106 12.169 6.794 -2.206 1.00 0.00 C ATOM 1650 O SER A 106 12.730 7.774 -2.691 1.00 0.00 O ATOM 1651 CB SER A 106 13.906 6.708 -0.395 1.00 0.00 C ATOM 1652 OG SER A 106 14.844 5.829 -1.009 1.00 0.00 O ATOM 0 H SER A 106 11.577 4.692 0.139 1.00 0.00 H new ATOM 0 HA SER A 106 11.800 6.897 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.121 7.734 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.021 6.662 0.688 1.00 0.00 H new ATOM 0 HG SER A 106 14.567 5.648 -1.931 1.00 0.00 H new ATOM 1658 N VAL A 107 11.287 6.041 -2.849 1.00 0.00 N ATOM 1659 CA VAL A 107 10.910 6.336 -4.221 1.00 0.00 C ATOM 1660 C VAL A 107 9.458 5.910 -4.449 1.00 0.00 C ATOM 1661 O VAL A 107 9.067 4.803 -4.086 1.00 0.00 O ATOM 1662 CB VAL A 107 11.888 5.664 -5.188 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.932 4.151 -4.960 1.00 0.00 C ATOM 1664 CG2 VAL A 107 11.534 5.990 -6.640 1.00 0.00 C ATOM 0 H VAL A 107 10.823 5.228 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 107 10.969 7.408 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 107 12.883 6.062 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.634 3.698 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.254 3.946 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.939 3.730 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.244 5.500 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.527 5.634 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.578 7.068 -6.792 1.00 0.00 H new ATOM 1674 N TYR A 108 8.698 6.815 -5.048 1.00 0.00 N ATOM 1675 CA TYR A 108 7.297 6.548 -5.329 1.00 0.00 C ATOM 1676 C TYR A 108 6.953 6.897 -6.779 1.00 0.00 C ATOM 1677 O TYR A 108 7.585 7.764 -7.379 1.00 0.00 O ATOM 1678 CB TYR A 108 6.499 7.459 -4.394 1.00 0.00 C ATOM 1679 CG TYR A 108 6.889 7.331 -2.920 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.214 6.096 -2.397 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.913 8.452 -2.114 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.580 5.977 -1.009 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.280 8.332 -0.727 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.595 7.099 -0.243 1.00 0.00 C ATOM 1685 OH TYR A 108 7.941 6.987 1.068 1.00 0.00 O ATOM 0 H TYR A 108 9.025 7.734 -5.347 1.00 0.00 H new ATOM 0 HA TYR A 108 7.069 5.493 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.636 8.494 -4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.438 7.232 -4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.194 5.220 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.657 9.418 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.837 5.017 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.305 9.200 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 108 7.909 7.870 1.491 1.00 0.00 H new ATOM 1695 N PRO A 109 5.923 6.186 -7.312 1.00 0.00 N ATOM 1696 CA PRO A 109 5.227 5.177 -6.531 1.00 0.00 C ATOM 1697 C PRO A 109 6.075 3.910 -6.390 1.00 0.00 C ATOM 1698 O PRO A 109 7.053 3.731 -7.114 1.00 0.00 O ATOM 1699 CB PRO A 109 3.921 4.938 -7.271 1.00 0.00 C ATOM 1700 CG PRO A 109 4.136 5.473 -8.678 1.00 0.00 C ATOM 1701 CD PRO A 109 5.397 6.322 -8.666 1.00 0.00 C ATOM 0 HA PRO A 109 5.036 5.496 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.671 3.877 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.094 5.451 -6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.235 4.652 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.279 6.067 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.116 5.973 -9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.176 7.363 -8.902 1.00 0.00 H new ATOM 1709 N SER A 110 5.669 3.067 -5.453 1.00 0.00 N ATOM 1710 CA SER A 110 6.379 1.824 -5.209 1.00 0.00 C ATOM 1711 C SER A 110 5.390 0.724 -4.815 1.00 0.00 C ATOM 1712 O SER A 110 4.267 1.013 -4.404 1.00 0.00 O ATOM 1713 CB SER A 110 7.439 1.998 -4.118 1.00 0.00 C ATOM 1714 OG SER A 110 8.732 1.598 -4.563 1.00 0.00 O ATOM 0 H SER A 110 4.858 3.220 -4.854 1.00 0.00 H new ATOM 0 HA SER A 110 6.887 1.536 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.470 3.042 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.159 1.411 -3.243 1.00 0.00 H new ATOM 0 HG SER A 110 9.130 0.989 -3.906 1.00 0.00 H new ATOM 1720 N TRP A 111 5.843 -0.513 -4.953 1.00 0.00 N ATOM 1721 CA TRP A 111 5.012 -1.657 -4.617 1.00 0.00 C ATOM 1722 C TRP A 111 5.863 -2.637 -3.808 1.00 0.00 C ATOM 1723 O TRP A 111 7.035 -2.847 -4.115 1.00 0.00 O ATOM 1724 CB TRP A 111 4.407 -2.284 -5.875 1.00 0.00 C ATOM 1725 CG TRP A 111 3.415 -1.378 -6.608 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.674 -0.470 -7.559 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.987 -1.328 -6.407 1.00 0.00 C ATOM 1728 NE1 TRP A 111 2.521 0.157 -7.986 1.00 0.00 N ATOM 1729 CE2 TRP A 111 1.463 -0.380 -7.262 1.00 0.00 C ATOM 1730 CE3 TRP A 111 1.165 -2.059 -5.531 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 0.097 -0.077 -7.326 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.198 -1.744 -5.607 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -0.741 -0.793 -6.463 1.00 0.00 C ATOM 0 H TRP A 111 6.775 -0.749 -5.293 1.00 0.00 H new ATOM 0 HA TRP A 111 4.161 -1.351 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.213 -2.551 -6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.902 -3.210 -5.600 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.661 -0.256 -7.943 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.457 0.881 -8.701 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.554 -2.804 -4.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.289 0.669 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.874 -2.277 -4.955 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.805 -0.607 -6.462 1.00 0.00 H new ATOM 1744 N ALA A 112 5.239 -3.214 -2.792 1.00 0.00 N ATOM 1745 CA ALA A 112 5.923 -4.170 -1.937 1.00 0.00 C ATOM 1746 C ALA A 112 5.077 -5.439 -1.819 1.00 0.00 C ATOM 1747 O ALA A 112 3.870 -5.365 -1.599 1.00 0.00 O ATOM 1748 CB ALA A 112 6.207 -3.527 -0.578 1.00 0.00 C ATOM 0 H ALA A 112 4.266 -3.038 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 112 6.883 -4.454 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.720 -4.244 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.836 -2.648 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.267 -3.231 -0.112 1.00 0.00 H new ATOM 1754 N LEU A 113 5.746 -6.573 -1.967 1.00 0.00 N ATOM 1755 CA LEU A 113 5.071 -7.857 -1.878 1.00 0.00 C ATOM 1756 C LEU A 113 5.483 -8.555 -0.581 1.00 0.00 C ATOM 1757 O LEU A 113 6.669 -8.766 -0.333 1.00 0.00 O ATOM 1758 CB LEU A 113 5.336 -8.689 -3.136 1.00 0.00 C ATOM 1759 CG LEU A 113 4.793 -10.120 -3.119 1.00 0.00 C ATOM 1760 CD1 LEU A 113 3.269 -10.129 -3.259 1.00 0.00 C ATOM 1761 CD2 LEU A 113 5.473 -10.975 -4.190 1.00 0.00 C ATOM 0 H LEU A 113 6.748 -6.630 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 113 3.991 -7.719 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.904 -8.168 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.413 -8.732 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 113 5.030 -10.566 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.908 -11.157 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.824 -9.576 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.987 -9.659 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.070 -11.987 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.288 -10.542 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.546 -11.006 -4.004 1.00 0.00 H new ATOM 1773 N ILE A 114 4.479 -8.898 0.213 1.00 0.00 N ATOM 1774 CA ILE A 114 4.720 -9.569 1.479 1.00 0.00 C ATOM 1775 C ILE A 114 4.187 -11.001 1.401 1.00 0.00 C ATOM 1776 O ILE A 114 3.019 -11.215 1.082 1.00 0.00 O ATOM 1777 CB ILE A 114 4.136 -8.756 2.636 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.746 -7.355 2.685 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.299 -9.499 3.964 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.272 -7.423 2.770 1.00 0.00 C ATOM 0 H ILE A 114 3.496 -8.723 0.004 1.00 0.00 H new ATOM 0 HA ILE A 114 5.790 -9.637 1.677 1.00 0.00 H new ATOM 0 HB ILE A 114 3.067 -8.635 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.452 -6.796 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.354 -6.814 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.876 -8.900 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.780 -10.456 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.358 -9.671 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.680 -6.413 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.563 -7.962 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.662 -7.943 1.895 1.00 0.00 H new ATOM 1792 N GLY A 115 5.069 -11.944 1.699 1.00 0.00 N ATOM 1793 CA GLY A 115 4.702 -13.349 1.667 1.00 0.00 C ATOM 1794 C GLY A 115 3.409 -13.596 2.448 1.00 0.00 C ATOM 1795 O GLY A 115 2.954 -12.729 3.194 1.00 0.00 O ATOM 0 H GLY A 115 6.037 -11.762 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.574 -13.672 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.507 -13.949 2.091 1.00 0.00 H new ATOM 1799 N LYS A 116 2.852 -14.781 2.250 1.00 0.00 N ATOM 1800 CA LYS A 116 1.620 -15.153 2.925 1.00 0.00 C ATOM 1801 C LYS A 116 1.896 -15.328 4.420 1.00 0.00 C ATOM 1802 O LYS A 116 0.967 -15.432 5.218 1.00 0.00 O ATOM 1803 CB LYS A 116 0.998 -16.386 2.266 1.00 0.00 C ATOM 1804 CG LYS A 116 1.891 -17.614 2.448 1.00 0.00 C ATOM 1805 CD LYS A 116 1.052 -18.882 2.614 1.00 0.00 C ATOM 1806 CE LYS A 116 1.495 -19.677 3.844 1.00 0.00 C ATOM 1807 NZ LYS A 116 0.352 -20.420 4.421 1.00 0.00 N ATOM 0 H LYS A 116 3.231 -15.497 1.631 1.00 0.00 H new ATOM 0 HA LYS A 116 0.878 -14.360 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.017 -16.578 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.846 -16.197 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.550 -17.720 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.528 -17.478 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.001 -18.616 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 116 1.145 -19.503 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.287 -20.373 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.911 -19.001 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.670 -20.954 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.391 -19.749 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.027 -21.079 3.712 1.00 0.00 H new ATOM 1820 N ASP A 117 3.178 -15.355 4.753 1.00 0.00 N ATOM 1821 CA ASP A 117 3.588 -15.515 6.138 1.00 0.00 C ATOM 1822 C ASP A 117 3.634 -14.144 6.814 1.00 0.00 C ATOM 1823 O ASP A 117 3.575 -14.049 8.038 1.00 0.00 O ATOM 1824 CB ASP A 117 4.983 -16.136 6.231 1.00 0.00 C ATOM 1825 CG ASP A 117 5.015 -17.585 6.718 1.00 0.00 C ATOM 1826 OD1 ASP A 117 3.975 -18.169 7.052 1.00 0.00 O ATOM 1827 OD2 ASP A 117 6.186 -18.127 6.745 1.00 0.00 O ATOM 0 H ASP A 117 3.946 -15.269 4.088 1.00 0.00 H new ATOM 0 HA ASP A 117 2.868 -16.170 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.451 -16.089 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.590 -15.529 6.903 1.00 0.00 H new ATOM 1833 N GLY A 118 3.740 -13.114 5.985 1.00 0.00 N ATOM 1834 CA GLY A 118 3.794 -11.752 6.488 1.00 0.00 C ATOM 1835 C GLY A 118 5.235 -11.239 6.526 1.00 0.00 C ATOM 1836 O GLY A 118 5.578 -10.399 7.355 1.00 0.00 O ATOM 0 H GLY A 118 3.790 -13.196 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.189 -11.102 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.364 -11.713 7.489 1.00 0.00 H new ATOM 1840 N ASP A 119 6.042 -11.768 5.617 1.00 0.00 N ATOM 1841 CA ASP A 119 7.439 -11.375 5.537 1.00 0.00 C ATOM 1842 C ASP A 119 7.714 -10.768 4.159 1.00 0.00 C ATOM 1843 O ASP A 119 6.971 -11.012 3.210 1.00 0.00 O ATOM 1844 CB ASP A 119 8.362 -12.581 5.715 1.00 0.00 C ATOM 1845 CG ASP A 119 8.511 -13.471 4.479 1.00 0.00 C ATOM 1846 OD1 ASP A 119 9.409 -13.265 3.648 1.00 0.00 O ATOM 1847 OD2 ASP A 119 7.645 -14.422 4.385 1.00 0.00 O ATOM 0 H ASP A 119 5.755 -12.465 4.930 1.00 0.00 H new ATOM 0 HA ASP A 119 7.633 -10.653 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.349 -12.224 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.986 -13.189 6.538 1.00 0.00 H new ATOM 1853 N VAL A 120 8.785 -9.990 4.094 1.00 0.00 N ATOM 1854 CA VAL A 120 9.168 -9.347 2.849 1.00 0.00 C ATOM 1855 C VAL A 120 9.401 -10.416 1.778 1.00 0.00 C ATOM 1856 O VAL A 120 10.307 -11.238 1.905 1.00 0.00 O ATOM 1857 CB VAL A 120 10.388 -8.453 3.076 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.969 -7.972 1.745 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.040 -7.270 3.981 1.00 0.00 C ATOM 0 H VAL A 120 9.399 -9.791 4.884 1.00 0.00 H new ATOM 0 HA VAL A 120 8.368 -8.698 2.492 1.00 0.00 H new ATOM 0 HB VAL A 120 11.150 -9.047 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.835 -7.338 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.272 -8.832 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 120 10.214 -7.402 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.925 -6.650 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.253 -6.676 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.694 -7.640 4.946 1.00 0.00 H new ATOM 1869 N GLN A 121 8.567 -10.369 0.750 1.00 0.00 N ATOM 1870 CA GLN A 121 8.671 -11.323 -0.341 1.00 0.00 C ATOM 1871 C GLN A 121 9.549 -10.757 -1.459 1.00 0.00 C ATOM 1872 O GLN A 121 10.593 -11.324 -1.779 1.00 0.00 O ATOM 1873 CB GLN A 121 7.286 -11.703 -0.871 1.00 0.00 C ATOM 1874 CG GLN A 121 7.362 -12.948 -1.758 1.00 0.00 C ATOM 1875 CD GLN A 121 6.002 -13.645 -1.840 1.00 0.00 C ATOM 1876 OE1 GLN A 121 4.953 -13.023 -1.789 1.00 0.00 O ATOM 1877 NE2 GLN A 121 6.080 -14.966 -1.970 1.00 0.00 N ATOM 0 H GLN A 121 7.817 -9.686 0.649 1.00 0.00 H new ATOM 0 HA GLN A 121 9.140 -12.230 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.611 -11.888 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.869 -10.872 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.692 -12.667 -2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.105 -13.638 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.992 -15.422 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.228 -15.523 -2.034 1.00 0.00 H new ATOM 1886 N ARG A 122 9.094 -9.648 -2.022 1.00 0.00 N ATOM 1887 CA ARG A 122 9.825 -8.999 -3.097 1.00 0.00 C ATOM 1888 C ARG A 122 9.456 -7.516 -3.170 1.00 0.00 C ATOM 1889 O ARG A 122 8.358 -7.125 -2.776 1.00 0.00 O ATOM 1890 CB ARG A 122 9.524 -9.659 -4.444 1.00 0.00 C ATOM 1891 CG ARG A 122 10.735 -10.444 -4.953 1.00 0.00 C ATOM 1892 CD ARG A 122 10.485 -11.952 -4.872 1.00 0.00 C ATOM 1893 NE ARG A 122 10.594 -12.555 -6.219 1.00 0.00 N ATOM 1894 CZ ARG A 122 10.881 -13.855 -6.445 1.00 0.00 C ATOM 1895 NH1 ARG A 122 11.091 -14.699 -5.413 1.00 0.00 N ATOM 1896 NH2 ARG A 122 10.954 -14.288 -7.690 1.00 0.00 N ATOM 0 H ARG A 122 8.227 -9.182 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 122 10.889 -9.102 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.669 -10.328 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 122 9.248 -8.897 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.948 -10.162 -5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 122 11.614 -10.185 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 122 11.207 -12.413 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.495 -12.143 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 122 10.443 -11.951 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.033 -14.356 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.307 -15.680 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.795 -13.643 -8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.170 -15.267 -7.878 1.00 0.00 H new ATOM 1909 N ILE A 123 10.394 -6.730 -3.679 1.00 0.00 N ATOM 1910 CA ILE A 123 10.182 -5.299 -3.808 1.00 0.00 C ATOM 1911 C ILE A 123 9.963 -4.952 -5.282 1.00 0.00 C ATOM 1912 O ILE A 123 10.660 -5.465 -6.155 1.00 0.00 O ATOM 1913 CB ILE A 123 11.332 -4.525 -3.159 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.973 -3.049 -2.989 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.631 -4.712 -3.947 1.00 0.00 C ATOM 1916 CD1 ILE A 123 10.374 -2.786 -1.605 1.00 0.00 C ATOM 0 H ILE A 123 11.303 -7.058 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 123 9.283 -4.998 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 123 11.498 -4.932 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.864 -2.436 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 123 10.261 -2.753 -3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 123 13.433 -4.152 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.892 -5.770 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.495 -4.347 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 123 10.127 -1.728 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 123 9.470 -3.382 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 123 11.098 -3.060 -0.837 1.00 0.00 H new ATOM 1928 N VAL A 124 8.989 -4.083 -5.513 1.00 0.00 N ATOM 1929 CA VAL A 124 8.668 -3.661 -6.866 1.00 0.00 C ATOM 1930 C VAL A 124 8.659 -2.133 -6.931 1.00 0.00 C ATOM 1931 O VAL A 124 7.785 -1.489 -6.353 1.00 0.00 O ATOM 1932 CB VAL A 124 7.343 -4.287 -7.309 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.914 -3.753 -8.677 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.435 -5.814 -7.320 1.00 0.00 C ATOM 0 H VAL A 124 8.412 -3.660 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 124 9.427 -4.011 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 124 6.580 -4.003 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.970 -4.214 -8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.788 -2.672 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.678 -3.992 -9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.481 -6.234 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.217 -6.126 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.672 -6.171 -6.318 1.00 0.00 H new ATOM 1944 N LYS A 125 9.643 -1.597 -7.638 1.00 0.00 N ATOM 1945 CA LYS A 125 9.758 -0.155 -7.787 1.00 0.00 C ATOM 1946 C LYS A 125 9.167 0.263 -9.134 1.00 0.00 C ATOM 1947 O LYS A 125 9.546 -0.271 -10.175 1.00 0.00 O ATOM 1948 CB LYS A 125 11.208 0.288 -7.585 1.00 0.00 C ATOM 1949 CG LYS A 125 12.117 -0.305 -8.665 1.00 0.00 C ATOM 1950 CD LYS A 125 12.705 0.795 -9.551 1.00 0.00 C ATOM 1951 CE LYS A 125 13.049 0.253 -10.940 1.00 0.00 C ATOM 1952 NZ LYS A 125 12.514 1.146 -11.992 1.00 0.00 N ATOM 0 H LYS A 125 10.368 -2.134 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 125 9.182 0.357 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.267 1.376 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.554 -0.026 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.923 -0.870 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.550 -1.006 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.991 1.614 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.601 1.204 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.130 0.165 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.635 -0.748 -11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.756 0.764 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.480 1.209 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.929 2.094 -11.887 1.00 0.00 H new ATOM 1965 N GLY A 126 8.249 1.218 -9.071 1.00 0.00 N ATOM 1966 CA GLY A 126 7.602 1.714 -10.273 1.00 0.00 C ATOM 1967 C GLY A 126 6.081 1.703 -10.121 1.00 0.00 C ATOM 1968 O GLY A 126 5.565 1.727 -9.006 1.00 0.00 O ATOM 0 H GLY A 126 7.939 1.661 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.943 2.728 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.890 1.099 -11.126 1.00 0.00 H new ATOM 1972 N SER A 127 5.404 1.665 -11.260 1.00 0.00 N ATOM 1973 CA SER A 127 3.952 1.650 -11.268 1.00 0.00 C ATOM 1974 C SER A 127 3.445 0.495 -12.134 1.00 0.00 C ATOM 1975 O SER A 127 4.077 0.132 -13.125 1.00 0.00 O ATOM 1976 CB SER A 127 3.390 2.979 -11.778 1.00 0.00 C ATOM 1977 OG SER A 127 4.270 4.068 -11.510 1.00 0.00 O ATOM 0 H SER A 127 5.835 1.644 -12.184 1.00 0.00 H new ATOM 0 HA SER A 127 3.607 1.508 -10.244 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.214 2.910 -12.852 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.425 3.169 -11.309 1.00 0.00 H new ATOM 0 HG SER A 127 3.749 4.892 -11.407 1.00 0.00 H new ATOM 1983 N ILE A 128 2.309 -0.052 -11.727 1.00 0.00 N ATOM 1984 CA ILE A 128 1.710 -1.160 -12.452 1.00 0.00 C ATOM 1985 C ILE A 128 0.252 -0.826 -12.773 1.00 0.00 C ATOM 1986 O ILE A 128 -0.330 0.072 -12.166 1.00 0.00 O ATOM 1987 CB ILE A 128 1.885 -2.466 -11.675 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.447 -2.300 -10.218 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.320 -2.984 -11.787 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.968 -3.631 -9.634 1.00 0.00 C ATOM 0 H ILE A 128 1.787 0.251 -10.905 1.00 0.00 H new ATOM 0 HA ILE A 128 2.219 -1.312 -13.404 1.00 0.00 H new ATOM 0 HB ILE A 128 1.236 -3.219 -12.123 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.278 -1.917 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.646 -1.563 -10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.416 -3.913 -11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.560 -3.166 -12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.007 -2.242 -11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.663 -3.485 -8.598 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.121 -3.999 -10.213 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.779 -4.359 -9.674 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.296 -1.565 -13.725 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.675 -1.358 -14.134 1.00 0.00 C ATOM 2004 C ASN A 129 -2.521 -2.550 -13.683 1.00 0.00 C ATOM 2005 O ASN A 129 -1.982 -3.582 -13.281 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.788 -1.247 -15.654 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.811 -2.198 -16.349 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.756 -3.384 -16.070 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -0.045 -1.614 -17.266 1.00 0.00 N ATOM 0 H ASN A 129 0.190 -2.309 -14.226 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.026 -0.432 -13.678 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.807 -1.477 -15.964 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.585 -0.222 -15.963 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.640 -2.164 -17.784 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -0.142 -0.616 -17.451 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.830 -2.370 -13.764 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.756 -3.420 -13.369 1.00 0.00 C ATOM 2018 C GLU A 130 -4.356 -4.750 -14.010 1.00 0.00 C ATOM 2019 O GLU A 130 -4.369 -5.789 -13.352 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.195 -3.047 -13.732 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.161 -4.176 -13.370 1.00 0.00 C ATOM 2022 CD GLU A 130 -7.162 -4.435 -11.862 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -8.144 -4.114 -11.179 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -6.091 -4.993 -11.406 1.00 0.00 O ATOM 0 H GLU A 130 -4.273 -1.514 -14.097 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.707 -3.532 -12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.482 -2.136 -13.207 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.261 -2.835 -14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.168 -3.917 -13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.877 -5.086 -13.899 1.00 0.00 H new ATOM 2032 N ALA A 131 -4.008 -4.674 -15.287 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.605 -5.860 -16.024 1.00 0.00 C ATOM 2034 C ALA A 131 -2.521 -6.599 -15.237 1.00 0.00 C ATOM 2035 O ALA A 131 -2.666 -7.783 -14.935 1.00 0.00 O ATOM 2036 CB ALA A 131 -3.136 -5.457 -17.424 1.00 0.00 C ATOM 0 H ALA A 131 -3.997 -3.810 -15.829 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.447 -6.541 -16.146 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.834 -6.347 -17.977 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.951 -4.961 -17.952 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.289 -4.776 -17.342 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.457 -5.871 -14.928 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.349 -6.443 -14.182 1.00 0.00 C ATOM 2044 C GLN A 132 -0.862 -7.141 -12.922 1.00 0.00 C ATOM 2045 O GLN A 132 -0.473 -8.272 -12.631 1.00 0.00 O ATOM 2046 CB GLN A 132 0.687 -5.373 -13.834 1.00 0.00 C ATOM 2047 CG GLN A 132 1.899 -5.459 -14.765 1.00 0.00 C ATOM 2048 CD GLN A 132 2.471 -4.070 -15.050 1.00 0.00 C ATOM 2049 OE1 GLN A 132 1.942 -3.054 -14.629 1.00 0.00 O ATOM 2050 NE2 GLN A 132 3.578 -4.080 -15.787 1.00 0.00 N ATOM 0 H GLN A 132 -1.339 -4.890 -15.181 1.00 0.00 H new ATOM 0 HA GLN A 132 0.142 -7.186 -14.810 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.234 -4.385 -13.911 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.009 -5.496 -12.800 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.667 -6.086 -14.312 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.610 -5.936 -15.701 1.00 0.00 H new ATOM 0 HE21 GLN A 132 3.969 -4.966 -16.108 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.036 -3.202 -16.032 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.728 -6.439 -12.205 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.297 -6.978 -10.982 1.00 0.00 C ATOM 2061 C ALA A 133 -2.882 -8.364 -11.263 1.00 0.00 C ATOM 2062 O ALA A 133 -2.640 -9.306 -10.510 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.344 -6.005 -10.435 1.00 0.00 C ATOM 0 H ALA A 133 -2.049 -5.502 -12.448 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.527 -7.094 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.772 -6.409 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.873 -5.045 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.134 -5.868 -11.173 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.636 -8.444 -12.349 1.00 0.00 N ATOM 2070 CA LEU A 134 -4.256 -9.699 -12.739 1.00 0.00 C ATOM 2071 C LEU A 134 -3.168 -10.702 -13.124 1.00 0.00 C ATOM 2072 O LEU A 134 -3.167 -11.836 -12.647 1.00 0.00 O ATOM 2073 CB LEU A 134 -5.293 -9.465 -13.839 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.322 -8.364 -13.569 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.466 -8.421 -14.582 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.830 -8.430 -12.127 1.00 0.00 C ATOM 0 H LEU A 134 -3.832 -7.660 -12.971 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.805 -10.129 -11.901 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.766 -9.224 -14.762 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.827 -10.399 -14.012 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.830 -7.399 -13.694 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -8.182 -7.628 -14.367 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -7.068 -8.288 -15.588 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.964 -9.388 -14.514 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.560 -7.637 -11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.299 -9.398 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.993 -8.302 -11.440 1.00 0.00 H new