USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 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 25 THR OG1 : rot -107:sc= 0.47 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0.425 USER MOD Set 2.1: A 57 GLN : amide:sc= -1.11! K(o=-3.6!,f=-1.9) USER MOD Set 2.2: A 62 CYS SG : rot 120:sc= -2.45! USER MOD Set 3.1: A 30 CYS SG : rot -159:sc= -1.11 USER MOD Set 3.2: A 79 CYS SG : rot 95:sc= 0.287 USER MOD Single : A 10 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-6.8!) USER MOD Single : A 17 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.24) USER MOD Single : A 18 GLN : amide:sc= -0.606 K(o=-0.61,f=-3.4!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.184 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 33 SER OG : rot 180:sc= -0.135 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.083 (180deg=-0.921) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 77 TYR OH : rot 100:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.081 USER MOD Single : A 81 CYS SG : rot -150:sc= 0.278 USER MOD Single : A 86 THR OG1 : rot -80:sc= 0.0737 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 1.120 20.380 -0.250 1.00 0.00 N ATOM 67 CA PRO A 8 0.856 19.407 0.814 1.00 0.00 C ATOM 68 C PRO A 8 2.091 18.584 1.166 1.00 0.00 C ATOM 69 O PRO A 8 3.160 18.773 0.587 1.00 0.00 O ATOM 70 CB PRO A 8 -0.230 18.511 0.214 1.00 0.00 C ATOM 71 CG PRO A 8 -0.043 18.624 -1.260 1.00 0.00 C ATOM 72 CD PRO A 8 0.443 20.025 -1.508 1.00 0.00 C ATOM 0 HA PRO A 8 0.562 19.891 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.122 17.479 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.225 18.840 0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.679 17.891 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.978 18.436 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.125 20.069 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.382 20.704 -1.726 1.00 0.00 H new ATOM 80 N ALA A 9 1.936 17.670 2.119 1.00 0.00 N ATOM 81 CA ALA A 9 3.038 16.817 2.546 1.00 0.00 C ATOM 82 C ALA A 9 3.561 15.975 1.387 1.00 0.00 C ATOM 83 O ALA A 9 2.850 15.119 0.858 1.00 0.00 O ATOM 84 CB ALA A 9 2.598 15.923 3.695 1.00 0.00 C ATOM 0 H ALA A 9 1.058 17.502 2.610 1.00 0.00 H new ATOM 0 HA ALA A 9 3.850 17.458 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.431 15.291 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.280 16.540 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.768 15.296 3.371 1.00 0.00 H new ATOM 90 N HIS A 10 4.807 16.222 0.996 1.00 0.00 N ATOM 91 CA HIS A 10 5.425 15.486 -0.101 1.00 0.00 C ATOM 92 C HIS A 10 5.858 14.095 0.355 1.00 0.00 C ATOM 93 O HIS A 10 6.048 13.852 1.547 1.00 0.00 O ATOM 94 CB HIS A 10 6.629 16.255 -0.645 1.00 0.00 C ATOM 95 CG HIS A 10 7.739 15.370 -1.122 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.659 14.618 -2.275 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.961 15.122 -0.596 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.784 13.943 -2.436 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.591 14.232 -1.431 1.00 0.00 N ATOM 0 H HIS A 10 5.409 16.926 1.423 1.00 0.00 H new ATOM 0 HA HIS A 10 4.686 15.376 -0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.302 16.890 -1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.011 16.915 0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.366 15.545 0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.006 13.270 -3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.529 13.855 -1.297 1.00 0.00 H new ATOM 108 N PHE A 11 6.012 13.186 -0.602 1.00 0.00 N ATOM 109 CA PHE A 11 6.421 11.820 -0.299 1.00 0.00 C ATOM 110 C PHE A 11 7.940 11.718 -0.190 1.00 0.00 C ATOM 111 O PHE A 11 8.647 11.719 -1.198 1.00 0.00 O ATOM 112 CB PHE A 11 5.911 10.861 -1.378 1.00 0.00 C ATOM 113 CG PHE A 11 4.511 10.375 -1.135 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.235 9.511 -0.087 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.470 10.783 -1.953 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.948 9.062 0.140 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.181 10.338 -1.731 1.00 0.00 C ATOM 118 CZ PHE A 11 1.919 9.476 -0.684 1.00 0.00 C ATOM 0 H PHE A 11 5.860 13.371 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 11 5.986 11.542 0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.951 11.361 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.580 10.003 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.036 9.185 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.668 11.457 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.747 8.389 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.378 10.664 -2.376 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.912 9.126 -0.510 1.00 0.00 H new ATOM 128 N ILE A 12 8.433 11.631 1.041 1.00 0.00 N ATOM 129 CA ILE A 12 9.867 11.529 1.282 1.00 0.00 C ATOM 130 C ILE A 12 10.322 10.073 1.283 1.00 0.00 C ATOM 131 O ILE A 12 11.468 9.769 0.956 1.00 0.00 O ATOM 132 CB ILE A 12 10.260 12.178 2.622 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.492 11.528 3.774 1.00 0.00 C ATOM 134 CG2 ILE A 12 9.997 13.676 2.581 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.018 11.906 5.141 1.00 0.00 C ATOM 0 H ILE A 12 7.861 11.629 1.886 1.00 0.00 H new ATOM 0 HA ILE A 12 10.362 12.062 0.470 1.00 0.00 H new ATOM 0 HB ILE A 12 11.326 12.020 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.442 11.813 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.536 10.445 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.280 14.121 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.585 14.127 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.938 13.855 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.426 11.409 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.059 11.596 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.948 12.986 5.272 1.00 0.00 H new ATOM 147 N GLY A 13 9.413 9.175 1.653 1.00 0.00 N ATOM 148 CA GLY A 13 9.739 7.761 1.688 1.00 0.00 C ATOM 149 C GLY A 13 8.982 6.966 0.643 1.00 0.00 C ATOM 150 O GLY A 13 8.187 6.087 0.977 1.00 0.00 O ATOM 0 H GLY A 13 8.458 9.402 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.810 7.634 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.512 7.363 2.677 1.00 0.00 H new ATOM 154 N ARG A 14 9.228 7.274 -0.626 1.00 0.00 N ATOM 155 CA ARG A 14 8.562 6.584 -1.723 1.00 0.00 C ATOM 156 C ARG A 14 8.346 5.111 -1.387 1.00 0.00 C ATOM 157 O ARG A 14 9.191 4.477 -0.754 1.00 0.00 O ATOM 158 CB ARG A 14 9.384 6.709 -3.008 1.00 0.00 C ATOM 159 CG ARG A 14 9.628 8.147 -3.436 1.00 0.00 C ATOM 160 CD ARG A 14 8.409 8.737 -4.127 1.00 0.00 C ATOM 161 NE ARG A 14 8.282 8.271 -5.506 1.00 0.00 N ATOM 162 CZ ARG A 14 9.044 8.709 -6.502 1.00 0.00 C ATOM 163 NH1 ARG A 14 9.982 9.617 -6.274 1.00 0.00 N ATOM 164 NH2 ARG A 14 8.869 8.237 -7.730 1.00 0.00 N ATOM 0 H ARG A 14 9.884 7.998 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 14 7.589 7.052 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.344 6.213 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.870 6.182 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.880 8.750 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.484 8.187 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.511 8.469 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.478 9.825 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 14 7.570 7.572 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.121 9.982 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.565 9.951 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.149 7.537 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.455 8.574 -8.494 1.00 0.00 H new ATOM 178 N LEU A 15 7.209 4.573 -1.815 1.00 0.00 N ATOM 179 CA LEU A 15 6.881 3.175 -1.559 1.00 0.00 C ATOM 180 C LEU A 15 7.976 2.253 -2.087 1.00 0.00 C ATOM 181 O LEU A 15 9.001 2.714 -2.588 1.00 0.00 O ATOM 182 CB LEU A 15 5.542 2.818 -2.207 1.00 0.00 C ATOM 183 CG LEU A 15 4.291 3.318 -1.483 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.110 3.380 -2.439 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.971 2.425 -0.293 1.00 0.00 C ATOM 0 H LEU A 15 6.499 5.083 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 15 6.804 3.037 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.534 3.217 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.480 1.733 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 15 4.486 4.325 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.229 3.738 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.340 4.061 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.913 2.385 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.078 2.796 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.796 1.406 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.809 2.433 0.403 1.00 0.00 H new ATOM 197 N ARG A 16 7.750 0.948 -1.973 1.00 0.00 N ATOM 198 CA ARG A 16 8.716 -0.038 -2.439 1.00 0.00 C ATOM 199 C ARG A 16 8.035 -1.372 -2.730 1.00 0.00 C ATOM 200 O ARG A 16 7.411 -1.967 -1.851 1.00 0.00 O ATOM 201 CB ARG A 16 9.820 -0.234 -1.399 1.00 0.00 C ATOM 202 CG ARG A 16 9.296 -0.466 0.009 1.00 0.00 C ATOM 203 CD ARG A 16 9.067 0.847 0.742 1.00 0.00 C ATOM 204 NE ARG A 16 10.316 1.427 1.228 1.00 0.00 N ATOM 205 CZ ARG A 16 10.939 1.015 2.327 1.00 0.00 C ATOM 206 NH1 ARG A 16 10.432 0.025 3.049 1.00 0.00 N ATOM 207 NH2 ARG A 16 12.072 1.594 2.705 1.00 0.00 N ATOM 0 H ARG A 16 6.906 0.550 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 16 9.159 0.334 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.437 -1.083 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.466 0.644 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.362 -1.026 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.006 -1.076 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.575 1.554 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.393 0.680 1.583 1.00 0.00 H new ATOM 0 HE ARG A 16 10.733 2.190 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.562 -0.422 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.912 -0.289 3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.465 2.356 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.550 1.277 3.549 1.00 0.00 H new ATOM 221 N HIS A 17 8.158 -1.836 -3.970 1.00 0.00 N ATOM 222 CA HIS A 17 7.554 -3.100 -4.377 1.00 0.00 C ATOM 223 C HIS A 17 7.762 -4.170 -3.309 1.00 0.00 C ATOM 224 O HIS A 17 8.882 -4.393 -2.851 1.00 0.00 O ATOM 225 CB HIS A 17 8.146 -3.568 -5.706 1.00 0.00 C ATOM 226 CG HIS A 17 9.562 -3.130 -5.918 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.010 -2.574 -7.099 1.00 0.00 N ATOM 228 CD2 HIS A 17 10.634 -3.166 -5.092 1.00 0.00 C ATOM 229 CE1 HIS A 17 11.295 -2.290 -6.989 1.00 0.00 C ATOM 230 NE2 HIS A 17 11.698 -2.639 -5.781 1.00 0.00 N ATOM 0 H HIS A 17 8.670 -1.356 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 17 6.483 -2.939 -4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.100 -4.656 -5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.531 -3.189 -6.522 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.649 -3.540 -4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.912 -1.847 -7.757 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.646 -2.534 -5.419 1.00 0.00 H new ATOM 239 N GLN A 18 6.675 -4.828 -2.918 1.00 0.00 N ATOM 240 CA GLN A 18 6.740 -5.873 -1.903 1.00 0.00 C ATOM 241 C GLN A 18 6.108 -7.165 -2.412 1.00 0.00 C ATOM 242 O GLN A 18 5.054 -7.143 -3.046 1.00 0.00 O ATOM 243 CB GLN A 18 6.036 -5.416 -0.625 1.00 0.00 C ATOM 244 CG GLN A 18 4.537 -5.668 -0.632 1.00 0.00 C ATOM 245 CD GLN A 18 3.876 -5.298 0.682 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.040 -6.039 1.200 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.249 -4.147 1.228 1.00 0.00 N ATOM 0 H GLN A 18 5.740 -4.656 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 18 7.790 -6.066 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.479 -5.931 0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.216 -4.351 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.080 -5.094 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.350 -6.721 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.946 -3.564 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.839 -3.845 2.112 1.00 0.00 H new ATOM 256 N GLU A 19 6.760 -8.288 -2.128 1.00 0.00 N ATOM 257 CA GLU A 19 6.261 -9.589 -2.559 1.00 0.00 C ATOM 258 C GLU A 19 5.528 -10.295 -1.421 1.00 0.00 C ATOM 259 O GLU A 19 6.101 -10.545 -0.361 1.00 0.00 O ATOM 260 CB GLU A 19 7.414 -10.463 -3.057 1.00 0.00 C ATOM 261 CG GLU A 19 6.979 -11.848 -3.505 1.00 0.00 C ATOM 262 CD GLU A 19 8.146 -12.717 -3.930 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.801 -13.305 -3.043 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.405 -12.810 -5.148 1.00 0.00 O ATOM 0 H GLU A 19 7.633 -8.323 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 19 5.558 -9.427 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.907 -9.960 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.153 -10.563 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.444 -12.338 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.279 -11.754 -4.336 1.00 0.00 H new ATOM 271 N SER A 20 4.258 -10.612 -1.650 1.00 0.00 N ATOM 272 CA SER A 20 3.445 -11.284 -0.643 1.00 0.00 C ATOM 273 C SER A 20 3.025 -12.671 -1.122 1.00 0.00 C ATOM 274 O SER A 20 3.286 -13.051 -2.264 1.00 0.00 O ATOM 275 CB SER A 20 2.206 -10.448 -0.316 1.00 0.00 C ATOM 276 OG SER A 20 1.461 -10.161 -1.487 1.00 0.00 O ATOM 0 H SER A 20 3.770 -10.414 -2.523 1.00 0.00 H new ATOM 0 HA SER A 20 4.047 -11.396 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.579 -10.985 0.396 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.508 -9.517 0.164 1.00 0.00 H new ATOM 0 HG SER A 20 0.674 -9.627 -1.251 1.00 0.00 H new ATOM 282 N ILE A 21 2.373 -13.422 -0.241 1.00 0.00 N ATOM 283 CA ILE A 21 1.916 -14.765 -0.572 1.00 0.00 C ATOM 284 C ILE A 21 0.399 -14.809 -0.717 1.00 0.00 C ATOM 285 O ILE A 21 -0.327 -14.186 0.057 1.00 0.00 O ATOM 286 CB ILE A 21 2.348 -15.787 0.496 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.773 -16.272 0.222 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.380 -16.960 0.529 1.00 0.00 C ATOM 289 CD1 ILE A 21 3.834 -17.504 -0.655 1.00 0.00 C ATOM 0 H ILE A 21 2.149 -13.122 0.708 1.00 0.00 H new ATOM 0 HA ILE A 21 2.378 -15.029 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 21 2.331 -15.300 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.336 -15.469 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.264 -16.487 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.699 -17.674 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.379 -16.599 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.367 -17.449 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.874 -17.791 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.299 -18.321 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.373 -17.288 -1.619 1.00 0.00 H new ATOM 301 N GLU A 22 -0.074 -15.552 -1.714 1.00 0.00 N ATOM 302 CA GLU A 22 -1.506 -15.678 -1.959 1.00 0.00 C ATOM 303 C GLU A 22 -2.240 -16.102 -0.690 1.00 0.00 C ATOM 304 O GLU A 22 -1.870 -17.080 -0.043 1.00 0.00 O ATOM 305 CB GLU A 22 -1.767 -16.691 -3.075 1.00 0.00 C ATOM 306 CG GLU A 22 -3.192 -17.219 -3.097 1.00 0.00 C ATOM 307 CD GLU A 22 -3.359 -18.410 -4.021 1.00 0.00 C ATOM 308 OE1 GLU A 22 -3.168 -19.553 -3.556 1.00 0.00 O ATOM 309 OE2 GLU A 22 -3.681 -18.198 -5.209 1.00 0.00 O ATOM 0 H GLU A 22 0.513 -16.075 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.883 -14.703 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.546 -16.226 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.080 -17.529 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.486 -17.504 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.866 -16.422 -3.412 1.00 0.00 H new ATOM 316 N GLY A 23 -3.284 -15.356 -0.340 1.00 0.00 N ATOM 317 CA GLY A 23 -4.053 -15.669 0.850 1.00 0.00 C ATOM 318 C GLY A 23 -3.631 -14.841 2.048 1.00 0.00 C ATOM 319 O GLY A 23 -4.469 -14.405 2.836 1.00 0.00 O ATOM 0 H GLY A 23 -3.610 -14.541 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.111 -15.500 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.938 -16.727 1.085 1.00 0.00 H new ATOM 323 N ALA A 24 -2.327 -14.626 2.186 1.00 0.00 N ATOM 324 CA ALA A 24 -1.795 -13.845 3.296 1.00 0.00 C ATOM 325 C ALA A 24 -2.341 -12.421 3.277 1.00 0.00 C ATOM 326 O ALA A 24 -3.123 -12.056 2.398 1.00 0.00 O ATOM 327 CB ALA A 24 -0.274 -13.829 3.249 1.00 0.00 C ATOM 0 H ALA A 24 -1.620 -14.982 1.543 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.114 -14.317 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.110 -13.242 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.103 -14.849 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.056 -13.384 2.310 1.00 0.00 H new ATOM 333 N THR A 25 -1.926 -11.620 4.254 1.00 0.00 N ATOM 334 CA THR A 25 -2.376 -10.237 4.351 1.00 0.00 C ATOM 335 C THR A 25 -1.233 -9.267 4.076 1.00 0.00 C ATOM 336 O THR A 25 -0.353 -9.075 4.915 1.00 0.00 O ATOM 337 CB THR A 25 -2.967 -9.935 5.741 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.940 -10.928 6.086 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.611 -8.557 5.767 1.00 0.00 C ATOM 0 H THR A 25 -1.279 -11.906 4.989 1.00 0.00 H new ATOM 0 HA THR A 25 -3.152 -10.103 3.597 1.00 0.00 H new ATOM 0 HB THR A 25 -2.155 -9.954 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.838 -10.541 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.021 -8.366 6.759 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.862 -7.801 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.412 -8.516 5.029 1.00 0.00 H new ATOM 347 N ALA A 26 -1.252 -8.657 2.895 1.00 0.00 N ATOM 348 CA ALA A 26 -0.218 -7.704 2.511 1.00 0.00 C ATOM 349 C ALA A 26 -0.235 -6.480 3.419 1.00 0.00 C ATOM 350 O ALA A 26 -1.244 -6.183 4.061 1.00 0.00 O ATOM 351 CB ALA A 26 -0.396 -7.289 1.058 1.00 0.00 C ATOM 0 H ALA A 26 -1.972 -8.806 2.188 1.00 0.00 H new ATOM 0 HA ALA A 26 0.750 -8.192 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.383 -6.577 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.325 -8.168 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.373 -6.824 0.930 1.00 0.00 H new ATOM 357 N THR A 27 0.888 -5.770 3.470 1.00 0.00 N ATOM 358 CA THR A 27 1.003 -4.579 4.302 1.00 0.00 C ATOM 359 C THR A 27 2.061 -3.627 3.755 1.00 0.00 C ATOM 360 O THR A 27 3.260 -3.877 3.882 1.00 0.00 O ATOM 361 CB THR A 27 1.356 -4.940 5.757 1.00 0.00 C ATOM 362 OG1 THR A 27 0.363 -5.818 6.298 1.00 0.00 O ATOM 363 CG2 THR A 27 1.457 -3.689 6.616 1.00 0.00 C ATOM 0 H THR A 27 1.731 -6.000 2.944 1.00 0.00 H new ATOM 0 HA THR A 27 0.031 -4.087 4.285 1.00 0.00 H new ATOM 0 HB THR A 27 2.324 -5.441 5.759 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.595 -6.044 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.707 -3.969 7.639 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.234 -3.036 6.218 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.502 -3.163 6.607 1.00 0.00 H new ATOM 371 N LEU A 28 1.610 -2.534 3.149 1.00 0.00 N ATOM 372 CA LEU A 28 2.519 -1.543 2.584 1.00 0.00 C ATOM 373 C LEU A 28 2.851 -0.462 3.607 1.00 0.00 C ATOM 374 O LEU A 28 2.198 -0.355 4.645 1.00 0.00 O ATOM 375 CB LEU A 28 1.901 -0.908 1.336 1.00 0.00 C ATOM 376 CG LEU A 28 2.034 -1.708 0.040 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.848 -1.444 -0.874 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.339 -1.369 -0.665 1.00 0.00 C ATOM 0 H LEU A 28 0.621 -2.312 3.036 1.00 0.00 H new ATOM 0 HA LEU A 28 3.443 -2.050 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.842 -0.737 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.360 0.069 1.185 1.00 0.00 H new ATOM 0 HG LEU A 28 2.045 -2.769 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.960 -2.022 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.072 -1.738 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.805 -0.382 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.416 -1.948 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.359 -0.305 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.178 -1.611 -0.013 1.00 0.00 H new ATOM 390 N ARG A 29 3.869 0.338 3.307 1.00 0.00 N ATOM 391 CA ARG A 29 4.287 1.411 4.200 1.00 0.00 C ATOM 392 C ARG A 29 5.009 2.512 3.428 1.00 0.00 C ATOM 393 O ARG A 29 5.793 2.234 2.520 1.00 0.00 O ATOM 394 CB ARG A 29 5.198 0.863 5.300 1.00 0.00 C ATOM 395 CG ARG A 29 5.373 1.811 6.475 1.00 0.00 C ATOM 396 CD ARG A 29 5.769 1.064 7.739 1.00 0.00 C ATOM 397 NE ARG A 29 7.216 0.901 7.847 1.00 0.00 N ATOM 398 CZ ARG A 29 7.887 -0.097 7.283 1.00 0.00 C ATOM 399 NH1 ARG A 29 7.245 -1.016 6.575 1.00 0.00 N ATOM 400 NH2 ARG A 29 9.204 -0.178 7.427 1.00 0.00 N ATOM 0 H ARG A 29 4.420 0.263 2.452 1.00 0.00 H new ATOM 0 HA ARG A 29 3.394 1.837 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.789 -0.080 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.176 0.642 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.135 2.552 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.444 2.354 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.399 1.604 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.292 0.084 7.745 1.00 0.00 H new ATOM 0 HE ARG A 29 7.740 1.591 8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.233 -0.958 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.763 -1.781 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.702 0.527 7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.718 -0.945 6.993 1.00 0.00 H new ATOM 414 N CYS A 30 4.738 3.760 3.794 1.00 0.00 N ATOM 415 CA CYS A 30 5.361 4.902 3.134 1.00 0.00 C ATOM 416 C CYS A 30 5.644 6.019 4.134 1.00 0.00 C ATOM 417 O CYS A 30 5.218 5.955 5.286 1.00 0.00 O ATOM 418 CB CYS A 30 4.462 5.422 2.012 1.00 0.00 C ATOM 419 SG CYS A 30 2.852 6.022 2.573 1.00 0.00 S ATOM 0 H CYS A 30 4.092 4.007 4.543 1.00 0.00 H new ATOM 0 HA CYS A 30 6.308 4.572 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.978 6.230 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.307 4.624 1.286 1.00 0.00 H new ATOM 0 HG CYS A 30 2.017 6.020 1.577 1.00 0.00 H new ATOM 425 N GLU A 31 6.367 7.040 3.684 1.00 0.00 N ATOM 426 CA GLU A 31 6.709 8.169 4.540 1.00 0.00 C ATOM 427 C GLU A 31 6.399 9.492 3.846 1.00 0.00 C ATOM 428 O GLU A 31 6.515 9.607 2.625 1.00 0.00 O ATOM 429 CB GLU A 31 8.189 8.116 4.925 1.00 0.00 C ATOM 430 CG GLU A 31 8.504 8.829 6.229 1.00 0.00 C ATOM 431 CD GLU A 31 9.985 8.816 6.558 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.782 9.282 5.717 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.346 8.339 7.654 1.00 0.00 O ATOM 0 H GLU A 31 6.727 7.108 2.732 1.00 0.00 H new ATOM 0 HA GLU A 31 6.104 8.103 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.497 7.074 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.780 8.562 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.158 9.861 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.951 8.356 7.040 1.00 0.00 H new ATOM 440 N LEU A 32 6.004 10.488 4.632 1.00 0.00 N ATOM 441 CA LEU A 32 5.677 11.803 4.093 1.00 0.00 C ATOM 442 C LEU A 32 6.482 12.894 4.793 1.00 0.00 C ATOM 443 O LEU A 32 7.024 12.680 5.878 1.00 0.00 O ATOM 444 CB LEU A 32 4.181 12.081 4.246 1.00 0.00 C ATOM 445 CG LEU A 32 3.243 11.139 3.490 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.856 11.151 4.115 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.171 11.526 2.020 1.00 0.00 C ATOM 0 H LEU A 32 5.903 10.410 5.644 1.00 0.00 H new ATOM 0 HA LEU A 32 5.935 11.809 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.930 12.038 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.985 13.100 3.913 1.00 0.00 H new ATOM 0 HG LEU A 32 3.641 10.127 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.203 10.475 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.922 10.826 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.448 12.161 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.499 10.845 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.797 12.546 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.166 11.465 1.578 1.00 0.00 H new ATOM 459 N SER A 33 6.554 14.064 4.167 1.00 0.00 N ATOM 460 CA SER A 33 7.294 15.188 4.729 1.00 0.00 C ATOM 461 C SER A 33 6.695 15.619 6.064 1.00 0.00 C ATOM 462 O SER A 33 7.346 16.295 6.861 1.00 0.00 O ATOM 463 CB SER A 33 7.293 16.365 3.752 1.00 0.00 C ATOM 464 OG SER A 33 6.081 17.094 3.833 1.00 0.00 O ATOM 0 H SER A 33 6.109 14.259 3.270 1.00 0.00 H new ATOM 0 HA SER A 33 8.322 14.867 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.133 17.024 3.971 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.433 15.998 2.735 1.00 0.00 H new ATOM 0 HG SER A 33 6.106 17.842 3.200 1.00 0.00 H new ATOM 470 N LYS A 34 5.449 15.224 6.302 1.00 0.00 N ATOM 471 CA LYS A 34 4.760 15.567 7.540 1.00 0.00 C ATOM 472 C LYS A 34 3.400 14.880 7.614 1.00 0.00 C ATOM 473 O LYS A 34 2.756 14.645 6.592 1.00 0.00 O ATOM 474 CB LYS A 34 4.583 17.084 7.646 1.00 0.00 C ATOM 475 CG LYS A 34 3.617 17.656 6.623 1.00 0.00 C ATOM 476 CD LYS A 34 3.149 19.047 7.016 1.00 0.00 C ATOM 477 CE LYS A 34 2.771 19.874 5.797 1.00 0.00 C ATOM 478 NZ LYS A 34 2.720 21.329 6.107 1.00 0.00 N ATOM 0 H LYS A 34 4.895 14.665 5.653 1.00 0.00 H new ATOM 0 HA LYS A 34 5.369 15.219 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.228 17.331 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.554 17.564 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.101 17.696 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.756 16.995 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.291 18.968 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.939 19.554 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.494 19.698 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.800 19.548 5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.459 21.858 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.012 21.501 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.653 21.646 6.439 1.00 0.00 H new ATOM 492 N ALA A 35 2.968 14.562 8.830 1.00 0.00 N ATOM 493 CA ALA A 35 1.684 13.905 9.038 1.00 0.00 C ATOM 494 C ALA A 35 0.609 14.505 8.137 1.00 0.00 C ATOM 495 O ALA A 35 0.234 15.666 8.292 1.00 0.00 O ATOM 496 CB ALA A 35 1.269 14.007 10.498 1.00 0.00 C ATOM 0 H ALA A 35 3.489 14.749 9.687 1.00 0.00 H new ATOM 0 HA ALA A 35 1.795 12.853 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.308 13.512 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.020 13.526 11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.181 15.057 10.779 1.00 0.00 H new ATOM 502 N ALA A 36 0.118 13.705 7.196 1.00 0.00 N ATOM 503 CA ALA A 36 -0.914 14.157 6.272 1.00 0.00 C ATOM 504 C ALA A 36 -1.725 12.982 5.737 1.00 0.00 C ATOM 505 O ALA A 36 -1.239 11.855 5.638 1.00 0.00 O ATOM 506 CB ALA A 36 -0.290 14.936 5.124 1.00 0.00 C ATOM 0 H ALA A 36 0.419 12.741 7.054 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.592 14.814 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.073 15.268 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.239 15.804 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.411 14.296 4.589 1.00 0.00 H new ATOM 512 N PRO A 37 -2.992 13.247 5.384 1.00 0.00 N ATOM 513 CA PRO A 37 -3.897 12.224 4.853 1.00 0.00 C ATOM 514 C PRO A 37 -3.499 11.767 3.454 1.00 0.00 C ATOM 515 O PRO A 37 -3.086 12.574 2.621 1.00 0.00 O ATOM 516 CB PRO A 37 -5.253 12.932 4.819 1.00 0.00 C ATOM 517 CG PRO A 37 -4.921 14.381 4.714 1.00 0.00 C ATOM 518 CD PRO A 37 -3.637 14.568 5.475 1.00 0.00 C ATOM 0 HA PRO A 37 -3.889 11.319 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.852 12.600 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.832 12.723 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.804 14.680 3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.717 14.995 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.018 15.349 5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.821 14.855 6.510 1.00 0.00 H new ATOM 526 N VAL A 38 -3.627 10.468 3.201 1.00 0.00 N ATOM 527 CA VAL A 38 -3.282 9.905 1.902 1.00 0.00 C ATOM 528 C VAL A 38 -4.434 9.080 1.337 1.00 0.00 C ATOM 529 O VAL A 38 -5.464 8.910 1.987 1.00 0.00 O ATOM 530 CB VAL A 38 -2.025 9.018 1.990 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.813 9.847 2.385 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.246 7.878 2.973 1.00 0.00 C ATOM 0 H VAL A 38 -3.967 9.786 3.879 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.079 10.745 1.237 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.835 8.588 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.065 9.204 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.645 10.624 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.989 10.308 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.349 7.261 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.461 8.286 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.087 7.269 2.641 1.00 0.00 H new ATOM 542 N GLU A 39 -4.250 8.571 0.123 1.00 0.00 N ATOM 543 CA GLU A 39 -5.275 7.764 -0.529 1.00 0.00 C ATOM 544 C GLU A 39 -4.644 6.731 -1.458 1.00 0.00 C ATOM 545 O GLU A 39 -4.171 7.065 -2.545 1.00 0.00 O ATOM 546 CB GLU A 39 -6.234 8.658 -1.318 1.00 0.00 C ATOM 547 CG GLU A 39 -7.486 7.939 -1.790 1.00 0.00 C ATOM 548 CD GLU A 39 -8.545 8.893 -2.309 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.415 9.350 -3.464 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.502 9.181 -1.562 1.00 0.00 O ATOM 0 H GLU A 39 -3.402 8.703 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.834 7.238 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.524 9.504 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.710 9.064 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.220 7.233 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.899 7.357 -0.966 1.00 0.00 H new ATOM 557 N TRP A 40 -4.641 5.476 -1.023 1.00 0.00 N ATOM 558 CA TRP A 40 -4.068 4.394 -1.815 1.00 0.00 C ATOM 559 C TRP A 40 -4.922 4.109 -3.046 1.00 0.00 C ATOM 560 O TRP A 40 -6.142 4.271 -3.017 1.00 0.00 O ATOM 561 CB TRP A 40 -3.936 3.128 -0.967 1.00 0.00 C ATOM 562 CG TRP A 40 -3.071 3.311 0.243 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.397 3.973 1.392 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.735 2.827 0.422 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.345 3.930 2.274 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.314 3.232 1.704 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.855 2.090 -0.374 1.00 0.00 C ATOM 568 CZ2 TRP A 40 -0.051 2.925 2.204 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.398 1.785 0.124 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.790 2.202 1.403 1.00 0.00 C ATOM 0 H TRP A 40 -5.029 5.183 -0.126 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.078 4.706 -2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.928 2.806 -0.650 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.523 2.329 -1.582 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.343 4.459 1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.334 4.350 3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.148 1.764 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.254 3.246 3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.086 1.216 -0.483 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.776 1.948 1.764 1.00 0.00 H new ATOM 581 N ARG A 41 -4.274 3.685 -4.125 1.00 0.00 N ATOM 582 CA ARG A 41 -4.974 3.379 -5.367 1.00 0.00 C ATOM 583 C ARG A 41 -4.373 2.150 -6.042 1.00 0.00 C ATOM 584 O ARG A 41 -3.240 2.185 -6.523 1.00 0.00 O ATOM 585 CB ARG A 41 -4.918 4.576 -6.318 1.00 0.00 C ATOM 586 CG ARG A 41 -5.819 5.727 -5.902 1.00 0.00 C ATOM 587 CD ARG A 41 -6.172 6.614 -7.086 1.00 0.00 C ATOM 588 NE ARG A 41 -7.389 7.386 -6.848 1.00 0.00 N ATOM 589 CZ ARG A 41 -8.147 7.880 -7.820 1.00 0.00 C ATOM 590 NH1 ARG A 41 -7.816 7.684 -9.089 1.00 0.00 N ATOM 591 NH2 ARG A 41 -9.240 8.572 -7.524 1.00 0.00 N ATOM 0 H ARG A 41 -3.264 3.545 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.015 3.166 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.890 4.934 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.200 4.248 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.732 5.333 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.321 6.322 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.345 7.294 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.302 5.997 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.672 7.555 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.977 7.152 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.400 8.065 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.498 8.725 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.822 8.951 -8.271 1.00 0.00 H new ATOM 605 N LYS A 42 -5.138 1.065 -6.074 1.00 0.00 N ATOM 606 CA LYS A 42 -4.683 -0.176 -6.690 1.00 0.00 C ATOM 607 C LYS A 42 -5.033 -0.206 -8.175 1.00 0.00 C ATOM 608 O LYS A 42 -6.128 -0.617 -8.556 1.00 0.00 O ATOM 609 CB LYS A 42 -5.308 -1.380 -5.983 1.00 0.00 C ATOM 610 CG LYS A 42 -5.072 -2.697 -6.702 1.00 0.00 C ATOM 611 CD LYS A 42 -6.120 -3.732 -6.328 1.00 0.00 C ATOM 612 CE LYS A 42 -5.828 -5.079 -6.973 1.00 0.00 C ATOM 613 NZ LYS A 42 -7.013 -5.980 -6.935 1.00 0.00 N ATOM 0 H LYS A 42 -6.078 1.019 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.599 -0.227 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.902 -1.449 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.381 -1.216 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.090 -2.533 -7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.080 -3.076 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.151 -3.845 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.105 -3.384 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.520 -4.927 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.993 -5.555 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.938 -6.684 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.050 -6.466 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.879 -5.420 -7.065 1.00 0.00 H new ATOM 627 N GLY A 43 -4.094 0.230 -9.009 1.00 0.00 N ATOM 628 CA GLY A 43 -4.322 0.243 -10.442 1.00 0.00 C ATOM 629 C GLY A 43 -5.594 0.977 -10.820 1.00 0.00 C ATOM 630 O GLY A 43 -6.690 0.425 -10.719 1.00 0.00 O ATOM 0 H GLY A 43 -3.179 0.575 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.473 0.714 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.376 -0.782 -10.808 1.00 0.00 H new ATOM 634 N ARG A 44 -5.449 2.224 -11.254 1.00 0.00 N ATOM 635 CA ARG A 44 -6.595 3.035 -11.645 1.00 0.00 C ATOM 636 C ARG A 44 -7.792 2.756 -10.741 1.00 0.00 C ATOM 637 O ARG A 44 -8.940 2.807 -11.182 1.00 0.00 O ATOM 638 CB ARG A 44 -6.969 2.760 -13.103 1.00 0.00 C ATOM 639 CG ARG A 44 -7.592 1.391 -13.324 1.00 0.00 C ATOM 640 CD ARG A 44 -8.410 1.352 -14.604 1.00 0.00 C ATOM 641 NE ARG A 44 -8.622 -0.014 -15.077 1.00 0.00 N ATOM 642 CZ ARG A 44 -9.448 -0.328 -16.069 1.00 0.00 C ATOM 643 NH1 ARG A 44 -10.135 0.620 -16.690 1.00 0.00 N ATOM 644 NH2 ARG A 44 -9.587 -1.594 -16.442 1.00 0.00 N ATOM 0 H ARG A 44 -4.549 2.695 -11.344 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.318 4.084 -11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.667 3.526 -13.441 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.076 2.847 -13.721 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.807 0.636 -13.369 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.229 1.139 -12.476 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.374 1.830 -14.433 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.902 1.928 -15.377 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.108 -0.768 -14.621 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.030 1.594 -16.407 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.768 0.375 -17.451 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.060 -2.326 -15.967 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.221 -1.835 -17.204 1.00 0.00 H new ATOM 658 N GLU A 45 -7.515 2.462 -9.474 1.00 0.00 N ATOM 659 CA GLU A 45 -8.569 2.174 -8.509 1.00 0.00 C ATOM 660 C GLU A 45 -8.393 3.009 -7.245 1.00 0.00 C ATOM 661 O GLU A 45 -7.312 3.538 -6.983 1.00 0.00 O ATOM 662 CB GLU A 45 -8.573 0.686 -8.154 1.00 0.00 C ATOM 663 CG GLU A 45 -9.954 0.141 -7.828 1.00 0.00 C ATOM 664 CD GLU A 45 -9.900 -1.173 -7.074 1.00 0.00 C ATOM 665 OE1 GLU A 45 -9.139 -2.069 -7.495 1.00 0.00 O ATOM 666 OE2 GLU A 45 -10.620 -1.305 -6.062 1.00 0.00 O ATOM 0 H GLU A 45 -6.570 2.417 -9.093 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.524 2.434 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.156 0.121 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.916 0.523 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.499 0.874 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.513 0.002 -8.753 1.00 0.00 H new ATOM 673 N SER A 46 -9.462 3.124 -6.464 1.00 0.00 N ATOM 674 CA SER A 46 -9.427 3.898 -5.229 1.00 0.00 C ATOM 675 C SER A 46 -9.537 2.985 -4.011 1.00 0.00 C ATOM 676 O SER A 46 -10.432 2.143 -3.931 1.00 0.00 O ATOM 677 CB SER A 46 -10.562 4.924 -5.213 1.00 0.00 C ATOM 678 OG SER A 46 -10.938 5.249 -3.886 1.00 0.00 O ATOM 0 H SER A 46 -10.363 2.691 -6.665 1.00 0.00 H new ATOM 0 HA SER A 46 -8.472 4.421 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.247 5.827 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.423 4.527 -5.751 1.00 0.00 H new ATOM 0 HG SER A 46 -11.664 5.907 -3.904 1.00 0.00 H new ATOM 684 N LEU A 47 -8.619 3.157 -3.066 1.00 0.00 N ATOM 685 CA LEU A 47 -8.611 2.349 -1.852 1.00 0.00 C ATOM 686 C LEU A 47 -8.926 3.202 -0.628 1.00 0.00 C ATOM 687 O LEU A 47 -8.431 4.322 -0.495 1.00 0.00 O ATOM 688 CB LEU A 47 -7.252 1.669 -1.678 1.00 0.00 C ATOM 689 CG LEU A 47 -7.023 0.403 -2.505 1.00 0.00 C ATOM 690 CD1 LEU A 47 -7.716 0.516 -3.854 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.534 0.147 -2.688 1.00 0.00 C ATOM 0 H LEU A 47 -7.871 3.849 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.383 1.586 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.473 2.389 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.126 1.418 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.453 -0.442 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.543 -0.393 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.787 0.651 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.316 1.371 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.390 -0.758 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.080 0.993 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.064 0.022 -1.713 1.00 0.00 H new ATOM 703 N ARG A 48 -9.750 2.665 0.266 1.00 0.00 N ATOM 704 CA ARG A 48 -10.130 3.377 1.480 1.00 0.00 C ATOM 705 C ARG A 48 -10.469 2.399 2.601 1.00 0.00 C ATOM 706 O ARG A 48 -10.895 1.272 2.346 1.00 0.00 O ATOM 707 CB ARG A 48 -11.325 4.292 1.208 1.00 0.00 C ATOM 708 CG ARG A 48 -12.366 3.676 0.287 1.00 0.00 C ATOM 709 CD ARG A 48 -13.738 4.294 0.505 1.00 0.00 C ATOM 710 NE ARG A 48 -14.233 4.065 1.860 1.00 0.00 N ATOM 711 CZ ARG A 48 -15.156 4.822 2.443 1.00 0.00 C ATOM 712 NH1 ARG A 48 -15.681 5.851 1.792 1.00 0.00 N ATOM 713 NH2 ARG A 48 -15.554 4.550 3.679 1.00 0.00 N ATOM 0 H ARG A 48 -10.167 1.739 0.172 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.281 3.984 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.798 4.550 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.967 5.222 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.064 3.816 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.418 2.601 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.687 5.366 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.442 3.875 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.849 3.281 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.376 6.063 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.390 6.431 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.151 3.759 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.263 5.132 4.126 1.00 0.00 H new ATOM 727 N ASP A 49 -10.277 2.837 3.840 1.00 0.00 N ATOM 728 CA ASP A 49 -10.564 2.001 5.000 1.00 0.00 C ATOM 729 C ASP A 49 -11.956 1.385 4.896 1.00 0.00 C ATOM 730 O ASP A 49 -12.955 2.097 4.804 1.00 0.00 O ATOM 731 CB ASP A 49 -10.449 2.819 6.286 1.00 0.00 C ATOM 732 CG ASP A 49 -11.767 3.452 6.689 1.00 0.00 C ATOM 733 OD1 ASP A 49 -12.131 4.490 6.098 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.433 2.910 7.594 1.00 0.00 O ATOM 0 H ASP A 49 -9.924 3.766 4.067 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.831 1.194 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.097 2.176 7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.700 3.600 6.151 1.00 0.00 H new ATOM 739 N GLY A 50 -12.013 0.057 4.909 1.00 0.00 N ATOM 740 CA GLY A 50 -13.287 -0.632 4.814 1.00 0.00 C ATOM 741 C GLY A 50 -13.276 -1.971 5.525 1.00 0.00 C ATOM 742 O GLY A 50 -12.674 -2.111 6.589 1.00 0.00 O ATOM 0 H GLY A 50 -11.200 -0.554 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.069 -0.004 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.537 -0.784 3.764 1.00 0.00 H new ATOM 746 N ASP A 51 -13.946 -2.956 4.938 1.00 0.00 N ATOM 747 CA ASP A 51 -14.013 -4.290 5.522 1.00 0.00 C ATOM 748 C ASP A 51 -12.710 -4.635 6.237 1.00 0.00 C ATOM 749 O ASP A 51 -12.647 -4.632 7.467 1.00 0.00 O ATOM 750 CB ASP A 51 -14.305 -5.330 4.439 1.00 0.00 C ATOM 751 CG ASP A 51 -15.634 -5.091 3.751 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.583 -4.645 4.430 1.00 0.00 O ATOM 753 OD2 ASP A 51 -15.726 -5.349 2.532 1.00 0.00 O ATOM 0 H ASP A 51 -14.451 -2.856 4.057 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.822 -4.300 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.507 -5.312 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.303 -6.325 4.885 1.00 0.00 H new ATOM 758 N ARG A 52 -11.675 -4.934 5.460 1.00 0.00 N ATOM 759 CA ARG A 52 -10.375 -5.284 6.019 1.00 0.00 C ATOM 760 C ARG A 52 -9.350 -4.189 5.738 1.00 0.00 C ATOM 761 O ARG A 52 -8.568 -3.816 6.614 1.00 0.00 O ATOM 762 CB ARG A 52 -9.888 -6.614 5.441 1.00 0.00 C ATOM 763 CG ARG A 52 -10.300 -7.823 6.265 1.00 0.00 C ATOM 764 CD ARG A 52 -9.724 -7.761 7.671 1.00 0.00 C ATOM 765 NE ARG A 52 -10.623 -7.083 8.601 1.00 0.00 N ATOM 766 CZ ARG A 52 -10.420 -7.030 9.913 1.00 0.00 C ATOM 767 NH1 ARG A 52 -9.354 -7.611 10.446 1.00 0.00 N ATOM 768 NH2 ARG A 52 -11.284 -6.394 10.694 1.00 0.00 N ATOM 0 H ARG A 52 -11.711 -4.941 4.441 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.487 -5.385 7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.277 -6.725 4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.801 -6.591 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.387 -7.875 6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.961 -8.734 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.529 -8.772 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.766 -7.241 7.648 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.452 -6.625 8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.687 -8.100 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.200 -7.569 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.105 -5.945 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.127 -6.354 11.701 1.00 0.00 H new ATOM 782 N HIS A 53 -9.359 -3.678 4.511 1.00 0.00 N ATOM 783 CA HIS A 53 -8.430 -2.626 4.115 1.00 0.00 C ATOM 784 C HIS A 53 -8.189 -1.651 5.264 1.00 0.00 C ATOM 785 O HIS A 53 -9.028 -0.798 5.552 1.00 0.00 O ATOM 786 CB HIS A 53 -8.967 -1.874 2.897 1.00 0.00 C ATOM 787 CG HIS A 53 -8.856 -2.646 1.619 1.00 0.00 C ATOM 788 ND1 HIS A 53 -9.771 -3.604 1.236 1.00 0.00 N ATOM 789 CD2 HIS A 53 -7.931 -2.596 0.632 1.00 0.00 C ATOM 790 CE1 HIS A 53 -9.413 -4.112 0.070 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.299 -3.517 -0.318 1.00 0.00 N ATOM 0 H HIS A 53 -9.999 -3.975 3.774 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.481 -3.094 3.855 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.013 -1.621 3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.425 -0.934 2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.065 -1.952 0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.941 -4.882 -0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.794 -3.710 -1.183 1.00 0.00 H new ATOM 800 N SER A 54 -7.040 -1.786 5.917 1.00 0.00 N ATOM 801 CA SER A 54 -6.691 -0.921 7.038 1.00 0.00 C ATOM 802 C SER A 54 -5.705 0.160 6.604 1.00 0.00 C ATOM 803 O SER A 54 -4.624 -0.138 6.096 1.00 0.00 O ATOM 804 CB SER A 54 -6.092 -1.745 8.179 1.00 0.00 C ATOM 805 OG SER A 54 -6.371 -1.154 9.437 1.00 0.00 O ATOM 0 H SER A 54 -6.334 -2.486 5.689 1.00 0.00 H new ATOM 0 HA SER A 54 -7.603 -0.437 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.496 -2.757 8.152 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.014 -1.828 8.044 1.00 0.00 H new ATOM 0 HG SER A 54 -5.979 -1.701 10.149 1.00 0.00 H new ATOM 811 N LEU A 55 -6.087 1.416 6.808 1.00 0.00 N ATOM 812 CA LEU A 55 -5.237 2.543 6.439 1.00 0.00 C ATOM 813 C LEU A 55 -4.709 3.256 7.679 1.00 0.00 C ATOM 814 O LEU A 55 -4.612 4.483 7.708 1.00 0.00 O ATOM 815 CB LEU A 55 -6.015 3.527 5.563 1.00 0.00 C ATOM 816 CG LEU A 55 -6.462 3.002 4.198 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.266 2.830 3.275 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.213 1.688 4.352 1.00 0.00 C ATOM 0 H LEU A 55 -6.979 1.680 7.227 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.387 2.157 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.899 3.851 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.396 4.410 5.405 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.137 3.733 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.603 2.456 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.770 3.791 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.566 2.120 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.524 1.329 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.562 0.949 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.093 1.843 4.977 1.00 0.00 H new ATOM 830 N ARG A 56 -4.366 2.479 8.701 1.00 0.00 N ATOM 831 CA ARG A 56 -3.846 3.036 9.944 1.00 0.00 C ATOM 832 C ARG A 56 -2.649 3.943 9.675 1.00 0.00 C ATOM 833 O ARG A 56 -1.751 3.590 8.910 1.00 0.00 O ATOM 834 CB ARG A 56 -3.444 1.913 10.903 1.00 0.00 C ATOM 835 CG ARG A 56 -2.302 1.053 10.388 1.00 0.00 C ATOM 836 CD ARG A 56 -2.296 -0.318 11.046 1.00 0.00 C ATOM 837 NE ARG A 56 -1.877 -0.252 12.443 1.00 0.00 N ATOM 838 CZ ARG A 56 -0.617 -0.071 12.824 1.00 0.00 C ATOM 839 NH1 ARG A 56 0.341 0.063 11.917 1.00 0.00 N ATOM 840 NH2 ARG A 56 -0.314 -0.022 14.115 1.00 0.00 N ATOM 0 H ARG A 56 -4.439 1.462 8.693 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.635 3.632 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.157 2.349 11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.310 1.278 11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.390 0.939 9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.353 1.554 10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.294 -0.753 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.626 -0.981 10.498 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.590 -0.350 13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.112 0.027 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.307 0.202 12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.049 -0.123 14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.653 0.117 14.407 1.00 0.00 H new ATOM 854 N GLN A 57 -2.644 5.111 10.308 1.00 0.00 N ATOM 855 CA GLN A 57 -1.557 6.068 10.134 1.00 0.00 C ATOM 856 C GLN A 57 -0.870 6.358 11.465 1.00 0.00 C ATOM 857 O GLN A 57 -1.524 6.464 12.502 1.00 0.00 O ATOM 858 CB GLN A 57 -2.087 7.368 9.526 1.00 0.00 C ATOM 859 CG GLN A 57 -2.341 7.281 8.030 1.00 0.00 C ATOM 860 CD GLN A 57 -2.647 8.630 7.410 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.803 8.949 7.130 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.611 9.430 7.192 1.00 0.00 N ATOM 0 H GLN A 57 -3.379 5.418 10.945 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.825 5.630 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.015 7.642 10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.372 8.168 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.467 6.851 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.175 6.603 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.670 9.125 7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.756 10.350 6.777 1.00 0.00 H new ATOM 871 N ASP A 58 0.452 6.485 11.427 1.00 0.00 N ATOM 872 CA ASP A 58 1.228 6.764 12.629 1.00 0.00 C ATOM 873 C ASP A 58 2.109 7.994 12.435 1.00 0.00 C ATOM 874 O ASP A 58 3.318 7.880 12.239 1.00 0.00 O ATOM 875 CB ASP A 58 2.092 5.556 12.996 1.00 0.00 C ATOM 876 CG ASP A 58 2.650 5.649 14.402 1.00 0.00 C ATOM 877 OD1 ASP A 58 1.981 6.251 15.267 1.00 0.00 O ATOM 878 OD2 ASP A 58 3.756 5.119 14.638 1.00 0.00 O ATOM 0 H ASP A 58 1.008 6.399 10.576 1.00 0.00 H new ATOM 0 HA ASP A 58 0.531 6.964 13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.498 4.647 12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.915 5.473 12.286 1.00 0.00 H new ATOM 883 N GLY A 59 1.493 9.172 12.490 1.00 0.00 N ATOM 884 CA GLY A 59 2.235 10.406 12.317 1.00 0.00 C ATOM 885 C GLY A 59 2.491 10.729 10.858 1.00 0.00 C ATOM 886 O GLY A 59 1.580 11.133 10.136 1.00 0.00 O ATOM 0 H GLY A 59 0.493 9.292 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.683 11.226 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.187 10.330 12.842 1.00 0.00 H new ATOM 890 N ALA A 60 3.735 10.554 10.424 1.00 0.00 N ATOM 891 CA ALA A 60 4.107 10.829 9.042 1.00 0.00 C ATOM 892 C ALA A 60 4.360 9.537 8.273 1.00 0.00 C ATOM 893 O ALA A 60 5.078 9.527 7.274 1.00 0.00 O ATOM 894 CB ALA A 60 5.338 11.722 8.995 1.00 0.00 C ATOM 0 H ALA A 60 4.502 10.223 11.010 1.00 0.00 H new ATOM 0 HA ALA A 60 3.276 11.348 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.605 11.919 7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.124 12.664 9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.169 11.223 9.495 1.00 0.00 H new ATOM 900 N VAL A 61 3.765 8.446 8.747 1.00 0.00 N ATOM 901 CA VAL A 61 3.925 7.148 8.103 1.00 0.00 C ATOM 902 C VAL A 61 2.581 6.447 7.937 1.00 0.00 C ATOM 903 O VAL A 61 1.828 6.290 8.899 1.00 0.00 O ATOM 904 CB VAL A 61 4.871 6.236 8.908 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.942 4.853 8.279 1.00 0.00 C ATOM 906 CG2 VAL A 61 6.255 6.859 9.005 1.00 0.00 C ATOM 0 H VAL A 61 3.168 8.436 9.574 1.00 0.00 H new ATOM 0 HA VAL A 61 4.358 7.333 7.120 1.00 0.00 H new ATOM 0 HB VAL A 61 4.474 6.129 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.615 4.223 8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.947 4.407 8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.315 4.936 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.910 6.202 9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.663 6.997 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.185 7.825 9.504 1.00 0.00 H new ATOM 916 N CYS A 62 2.287 6.028 6.712 1.00 0.00 N ATOM 917 CA CYS A 62 1.033 5.343 6.419 1.00 0.00 C ATOM 918 C CYS A 62 1.275 3.867 6.120 1.00 0.00 C ATOM 919 O CYS A 62 2.344 3.490 5.640 1.00 0.00 O ATOM 920 CB CYS A 62 0.330 6.007 5.234 1.00 0.00 C ATOM 921 SG CYS A 62 0.059 7.783 5.437 1.00 0.00 S ATOM 0 H CYS A 62 2.899 6.150 5.905 1.00 0.00 H new ATOM 0 HA CYS A 62 0.394 5.416 7.299 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.923 5.841 4.334 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.632 5.519 5.076 1.00 0.00 H new ATOM 0 HG CYS A 62 0.669 8.427 4.486 1.00 0.00 H new ATOM 927 N GLU A 63 0.277 3.038 6.408 1.00 0.00 N ATOM 928 CA GLU A 63 0.384 1.603 6.172 1.00 0.00 C ATOM 929 C GLU A 63 -0.936 1.037 5.657 1.00 0.00 C ATOM 930 O GLU A 63 -1.979 1.186 6.294 1.00 0.00 O ATOM 931 CB GLU A 63 0.795 0.882 7.458 1.00 0.00 C ATOM 932 CG GLU A 63 2.299 0.761 7.634 1.00 0.00 C ATOM 933 CD GLU A 63 2.689 -0.381 8.552 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.487 -1.550 8.163 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.196 -0.106 9.660 1.00 0.00 O ATOM 0 H GLU A 63 -0.614 3.335 6.805 1.00 0.00 H new ATOM 0 HA GLU A 63 1.149 1.441 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.380 1.416 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.356 -0.116 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.764 0.614 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.690 1.695 8.036 1.00 0.00 H new ATOM 942 N LEU A 64 -0.882 0.386 4.500 1.00 0.00 N ATOM 943 CA LEU A 64 -2.073 -0.203 3.898 1.00 0.00 C ATOM 944 C LEU A 64 -2.084 -1.717 4.083 1.00 0.00 C ATOM 945 O LEU A 64 -1.206 -2.419 3.582 1.00 0.00 O ATOM 946 CB LEU A 64 -2.138 0.141 2.409 1.00 0.00 C ATOM 947 CG LEU A 64 -3.143 -0.659 1.579 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.526 -0.594 2.208 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.182 -0.145 0.147 1.00 0.00 C ATOM 0 H LEU A 64 -0.027 0.253 3.960 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.947 0.212 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.377 1.200 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.146 -0.003 1.980 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.823 -1.701 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.228 -1.169 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.488 -1.010 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.855 0.444 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.902 -0.726 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.478 0.904 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.194 -0.244 -0.302 1.00 0.00 H new ATOM 961 N GLN A 65 -3.085 -2.213 4.803 1.00 0.00 N ATOM 962 CA GLN A 65 -3.211 -3.644 5.052 1.00 0.00 C ATOM 963 C GLN A 65 -4.286 -4.259 4.163 1.00 0.00 C ATOM 964 O GLN A 65 -5.420 -3.781 4.123 1.00 0.00 O ATOM 965 CB GLN A 65 -3.541 -3.900 6.524 1.00 0.00 C ATOM 966 CG GLN A 65 -3.172 -5.297 6.996 1.00 0.00 C ATOM 967 CD GLN A 65 -3.207 -5.430 8.506 1.00 0.00 C ATOM 968 OE1 GLN A 65 -3.669 -4.531 9.210 1.00 0.00 O ATOM 969 NE2 GLN A 65 -2.719 -6.556 9.012 1.00 0.00 N ATOM 0 H GLN A 65 -3.820 -1.645 5.224 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.257 -4.114 4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.017 -3.168 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.608 -3.742 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.860 -6.019 6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.174 -5.546 6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.346 -7.274 8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.717 -6.703 10.021 1.00 0.00 H new ATOM 978 N ILE A 66 -3.922 -5.320 3.451 1.00 0.00 N ATOM 979 CA ILE A 66 -4.857 -6.001 2.563 1.00 0.00 C ATOM 980 C ILE A 66 -4.988 -7.475 2.928 1.00 0.00 C ATOM 981 O ILE A 66 -4.055 -8.257 2.737 1.00 0.00 O ATOM 982 CB ILE A 66 -4.420 -5.884 1.091 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.312 -4.413 0.683 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.400 -6.619 0.188 1.00 0.00 C ATOM 985 CD1 ILE A 66 -3.820 -4.214 -0.734 1.00 0.00 C ATOM 0 H ILE A 66 -2.987 -5.727 3.471 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.823 -5.512 2.687 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.438 -6.345 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.289 -3.942 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.636 -3.903 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.078 -6.527 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.432 -7.672 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.393 -6.184 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.768 -3.148 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.829 -4.655 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.508 -4.695 -1.429 1.00 0.00 H new ATOM 997 N CYS A 67 -6.150 -7.849 3.452 1.00 0.00 N ATOM 998 CA CYS A 67 -6.403 -9.231 3.843 1.00 0.00 C ATOM 999 C CYS A 67 -6.911 -10.047 2.658 1.00 0.00 C ATOM 1000 O CYS A 67 -7.374 -9.492 1.662 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.419 -9.282 4.985 1.00 0.00 C ATOM 1002 SG CYS A 67 -7.274 -10.745 6.037 1.00 0.00 S ATOM 0 H CYS A 67 -6.932 -7.215 3.616 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.462 -9.664 4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.301 -8.391 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.424 -9.248 4.565 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.173 -10.696 6.974 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.817 -11.368 2.772 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.269 -12.239 1.703 1.00 0.00 C ATOM 1010 C GLY A 68 -6.568 -11.956 0.389 1.00 0.00 C ATOM 1011 O GLY A 68 -7.216 -11.709 -0.629 1.00 0.00 O ATOM 0 H GLY A 68 -6.436 -11.851 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.097 -13.277 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.344 -12.119 1.571 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.240 -11.989 0.410 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.449 -11.732 -0.788 1.00 0.00 C ATOM 1017 C LEU A 69 -4.867 -12.659 -1.925 1.00 0.00 C ATOM 1018 O LEU A 69 -5.582 -13.637 -1.711 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.960 -11.912 -0.489 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.229 -10.682 0.050 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.818 -11.046 0.483 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.199 -9.579 -0.998 1.00 0.00 C ATOM 0 H LEU A 69 -4.688 -12.191 1.244 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.628 -10.703 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.850 -12.720 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.463 -12.233 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.770 -10.314 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.314 -10.158 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.862 -11.802 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.266 -11.439 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.675 -8.711 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.681 -9.937 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.219 -9.298 -1.260 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.414 -12.345 -3.135 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.737 -13.152 -4.305 1.00 0.00 C ATOM 1036 C ALA A 70 -3.772 -12.868 -5.451 1.00 0.00 C ATOM 1037 O ALA A 70 -3.565 -11.715 -5.830 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.171 -12.895 -4.743 1.00 0.00 C ATOM 0 H ALA A 70 -3.822 -11.537 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.635 -14.202 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.399 -13.504 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.851 -13.155 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.292 -11.841 -4.993 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.183 -13.926 -5.999 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.240 -13.790 -7.102 1.00 0.00 C ATOM 1046 C VAL A 71 -2.707 -12.734 -8.098 1.00 0.00 C ATOM 1047 O VAL A 71 -1.895 -12.070 -8.741 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.045 -15.127 -7.842 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.236 -14.921 -9.113 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.374 -16.145 -6.933 1.00 0.00 C ATOM 0 H VAL A 71 -3.343 -14.887 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.289 -13.481 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.025 -15.514 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.109 -15.876 -9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.761 -14.227 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.258 -14.512 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.244 -17.084 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.400 -15.768 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.996 -16.314 -6.054 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.022 -12.585 -8.219 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.599 -11.608 -9.135 1.00 0.00 C ATOM 1062 C ALA A 72 -4.454 -10.191 -8.588 1.00 0.00 C ATOM 1063 O ALA A 72 -4.092 -9.268 -9.318 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.063 -11.928 -9.395 1.00 0.00 C ATOM 0 H ALA A 72 -4.708 -13.128 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.054 -11.664 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.481 -11.190 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.146 -12.921 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.614 -11.902 -8.455 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.741 -10.027 -7.301 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.642 -8.722 -6.657 1.00 0.00 C ATOM 1072 C ASP A 73 -3.356 -8.010 -7.065 1.00 0.00 C ATOM 1073 O ASP A 73 -3.319 -6.784 -7.162 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.694 -8.876 -5.136 1.00 0.00 C ATOM 1075 CG ASP A 73 -6.042 -9.370 -4.649 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.671 -10.179 -5.363 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.468 -8.947 -3.555 1.00 0.00 O ATOM 0 H ASP A 73 -5.044 -10.780 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.489 -8.118 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.919 -9.573 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.472 -7.917 -4.669 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.305 -8.788 -7.302 1.00 0.00 N ATOM 1083 CA ALA A 74 -1.018 -8.231 -7.701 1.00 0.00 C ATOM 1084 C ALA A 74 -1.170 -7.297 -8.896 1.00 0.00 C ATOM 1085 O ALA A 74 -1.916 -7.585 -9.831 1.00 0.00 O ATOM 1086 CB ALA A 74 -0.037 -9.349 -8.024 1.00 0.00 C ATOM 0 H ALA A 74 -2.319 -9.805 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.628 -7.649 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.920 -8.919 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.104 -9.975 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.431 -9.954 -8.840 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.459 -6.174 -8.858 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.530 -5.213 -9.944 1.00 0.00 C ATOM 1094 C GLY A 75 0.373 -4.017 -9.720 1.00 0.00 C ATOM 1095 O GLY A 75 1.565 -4.067 -10.021 1.00 0.00 O ATOM 0 H GLY A 75 0.165 -5.912 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.253 -5.703 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.559 -4.871 -10.056 1.00 0.00 H new ATOM 1099 N GLU A 76 -0.196 -2.938 -9.191 1.00 0.00 N ATOM 1100 CA GLU A 76 0.567 -1.723 -8.930 1.00 0.00 C ATOM 1101 C GLU A 76 -0.238 -0.748 -8.076 1.00 0.00 C ATOM 1102 O GLU A 76 -1.201 -0.144 -8.546 1.00 0.00 O ATOM 1103 CB GLU A 76 0.969 -1.054 -10.246 1.00 0.00 C ATOM 1104 CG GLU A 76 1.602 0.315 -10.064 1.00 0.00 C ATOM 1105 CD GLU A 76 2.072 0.919 -11.374 1.00 0.00 C ATOM 1106 OE1 GLU A 76 1.348 0.784 -12.382 1.00 0.00 O ATOM 1107 OE2 GLU A 76 3.163 1.526 -11.390 1.00 0.00 O ATOM 0 H GLU A 76 -1.182 -2.881 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 76 1.468 -2.001 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.669 -1.701 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.087 -0.956 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.881 0.986 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.448 0.232 -9.382 1.00 0.00 H new ATOM 1114 N TYR A 77 0.165 -0.601 -6.818 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.520 0.297 -5.897 1.00 0.00 C ATOM 1116 C TYR A 77 0.183 1.650 -5.831 1.00 0.00 C ATOM 1117 O TYR A 77 1.376 1.756 -6.115 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.587 -0.324 -4.501 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.492 -1.532 -4.418 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.232 -2.672 -5.170 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.606 -1.535 -3.588 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -2.056 -3.778 -5.098 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.435 -2.637 -3.509 1.00 0.00 C ATOM 1124 CZ TYR A 77 -3.156 -3.756 -4.266 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.979 -4.856 -4.191 1.00 0.00 O ATOM 0 H TYR A 77 0.962 -1.092 -6.414 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.533 0.452 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.418 -0.612 -4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.935 0.429 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.371 -2.693 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.828 -0.661 -2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.840 -4.655 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.297 -2.623 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.760 -5.374 -3.389 1.00 0.00 H new ATOM 1135 N SER A 78 -0.566 2.681 -5.453 1.00 0.00 N ATOM 1136 CA SER A 78 -0.016 4.028 -5.352 1.00 0.00 C ATOM 1137 C SER A 78 -0.674 4.799 -4.211 1.00 0.00 C ATOM 1138 O SER A 78 -1.875 4.670 -3.972 1.00 0.00 O ATOM 1139 CB SER A 78 -0.211 4.781 -6.670 1.00 0.00 C ATOM 1140 OG SER A 78 -0.216 3.889 -7.771 1.00 0.00 O ATOM 0 H SER A 78 -1.554 2.610 -5.212 1.00 0.00 H new ATOM 0 HA SER A 78 1.051 3.944 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.150 5.333 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.586 5.514 -6.795 1.00 0.00 H new ATOM 0 HG SER A 78 -0.344 4.394 -8.601 1.00 0.00 H new ATOM 1146 N CYS A 79 0.122 5.599 -3.511 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.381 6.391 -2.394 1.00 0.00 C ATOM 1148 C CYS A 79 -0.476 7.866 -2.772 1.00 0.00 C ATOM 1149 O CYS A 79 0.540 8.542 -2.934 1.00 0.00 O ATOM 1150 CB CYS A 79 0.525 6.222 -1.173 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.329 6.407 0.410 1.00 0.00 S ATOM 0 H CYS A 79 1.118 5.717 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.381 6.033 -2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.988 5.236 -1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.330 6.955 -1.227 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.677 5.236 0.855 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.703 8.358 -2.912 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.930 9.752 -3.272 1.00 0.00 C ATOM 1159 C VAL A 80 -2.206 10.601 -2.036 1.00 0.00 C ATOM 1160 O VAL A 80 -3.067 10.268 -1.221 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.111 9.894 -4.251 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -3.049 11.231 -4.972 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -3.118 8.743 -5.246 1.00 0.00 C ATOM 0 H VAL A 80 -2.555 7.812 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.020 10.105 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.039 9.858 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.891 11.313 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.095 12.040 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.116 11.300 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.959 8.859 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.186 8.746 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.214 7.799 -4.710 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.469 11.698 -1.902 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.634 12.596 -0.764 1.00 0.00 C ATOM 1175 C CYS A 81 -2.227 13.930 -1.205 1.00 0.00 C ATOM 1176 O CYS A 81 -3.124 14.467 -0.556 1.00 0.00 O ATOM 1177 CB CYS A 81 -0.290 12.825 -0.071 1.00 0.00 C ATOM 1178 SG CYS A 81 -0.331 14.095 1.215 1.00 0.00 S ATOM 0 H CYS A 81 -0.752 11.987 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.323 12.129 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.044 11.886 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.450 13.105 -0.820 1.00 0.00 H new ATOM 0 HG CYS A 81 0.831 14.673 1.291 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.719 14.460 -2.313 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.210 15.728 -2.821 1.00 0.00 C ATOM 1186 C GLY A 82 -1.651 16.060 -4.191 1.00 0.00 C ATOM 1187 O GLY A 82 -2.396 16.158 -5.164 1.00 0.00 O ATOM 0 H GLY A 82 -0.977 14.034 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.298 15.698 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.947 16.522 -2.122 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.335 16.233 -4.265 1.00 0.00 N ATOM 1192 CA GLU A 83 0.322 16.558 -5.526 1.00 0.00 C ATOM 1193 C GLU A 83 1.282 15.447 -5.941 1.00 0.00 C ATOM 1194 O GLU A 83 1.430 15.153 -7.127 1.00 0.00 O ATOM 1195 CB GLU A 83 1.080 17.882 -5.405 1.00 0.00 C ATOM 1196 CG GLU A 83 0.179 19.105 -5.451 1.00 0.00 C ATOM 1197 CD GLU A 83 0.909 20.351 -5.915 1.00 0.00 C ATOM 1198 OE1 GLU A 83 2.017 20.615 -5.402 1.00 0.00 O ATOM 1199 OE2 GLU A 83 0.372 21.061 -6.791 1.00 0.00 O ATOM 0 H GLU A 83 0.296 16.154 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.447 16.656 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.638 17.887 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.810 17.948 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.659 18.909 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.239 19.281 -4.460 1.00 0.00 H new ATOM 1206 N GLU A 84 1.930 14.834 -4.956 1.00 0.00 N ATOM 1207 CA GLU A 84 2.876 13.756 -5.220 1.00 0.00 C ATOM 1208 C GLU A 84 2.231 12.394 -4.978 1.00 0.00 C ATOM 1209 O GLU A 84 1.569 12.181 -3.963 1.00 0.00 O ATOM 1210 CB GLU A 84 4.117 13.909 -4.338 1.00 0.00 C ATOM 1211 CG GLU A 84 4.782 15.270 -4.453 1.00 0.00 C ATOM 1212 CD GLU A 84 5.728 15.360 -5.634 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.850 14.821 -5.538 1.00 0.00 O ATOM 1214 OE2 GLU A 84 5.345 15.968 -6.655 1.00 0.00 O ATOM 0 H GLU A 84 1.818 15.065 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 84 3.173 13.817 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.837 13.738 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.839 13.137 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.015 16.038 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.332 15.480 -3.535 1.00 0.00 H new ATOM 1221 N ARG A 85 2.430 11.477 -5.919 1.00 0.00 N ATOM 1222 CA ARG A 85 1.867 10.136 -5.809 1.00 0.00 C ATOM 1223 C ARG A 85 2.916 9.077 -6.134 1.00 0.00 C ATOM 1224 O ARG A 85 3.431 9.019 -7.252 1.00 0.00 O ATOM 1225 CB ARG A 85 0.668 9.986 -6.747 1.00 0.00 C ATOM 1226 CG ARG A 85 0.163 8.557 -6.866 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.599 8.342 -8.165 1.00 0.00 C ATOM 1228 NE ARG A 85 -1.527 7.218 -8.075 1.00 0.00 N ATOM 1229 CZ ARG A 85 -1.938 6.518 -9.126 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.506 6.826 -10.341 1.00 0.00 N ATOM 1231 NH2 ARG A 85 -2.784 5.509 -8.964 1.00 0.00 N ATOM 0 H ARG A 85 2.976 11.638 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 85 1.536 9.991 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.143 10.621 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.944 10.348 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.005 7.867 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.485 8.327 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.150 9.248 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.108 8.164 -8.975 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.879 6.956 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.857 7.602 -10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.823 6.287 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.120 5.270 -8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.099 4.972 -9.772 1.00 0.00 H new ATOM 1245 N THR A 86 3.231 8.241 -5.150 1.00 0.00 N ATOM 1246 CA THR A 86 4.219 7.185 -5.330 1.00 0.00 C ATOM 1247 C THR A 86 3.548 5.842 -5.593 1.00 0.00 C ATOM 1248 O THR A 86 2.470 5.563 -5.068 1.00 0.00 O ATOM 1249 CB THR A 86 5.134 7.056 -4.097 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.134 6.059 -4.332 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.327 6.692 -2.860 1.00 0.00 C ATOM 0 H THR A 86 2.816 8.275 -4.219 1.00 0.00 H new ATOM 0 HA THR A 86 4.823 7.461 -6.195 1.00 0.00 H new ATOM 0 HB THR A 86 5.615 8.019 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.750 5.169 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.994 6.606 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.586 7.468 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.821 5.740 -3.023 1.00 0.00 H new ATOM 1259 N SER A 87 4.192 5.014 -6.409 1.00 0.00 N ATOM 1260 CA SER A 87 3.655 3.700 -6.745 1.00 0.00 C ATOM 1261 C SER A 87 4.619 2.596 -6.321 1.00 0.00 C ATOM 1262 O SER A 87 5.818 2.826 -6.173 1.00 0.00 O ATOM 1263 CB SER A 87 3.382 3.606 -8.247 1.00 0.00 C ATOM 1264 OG SER A 87 4.477 4.104 -8.997 1.00 0.00 O ATOM 0 H SER A 87 5.086 5.229 -6.850 1.00 0.00 H new ATOM 0 HA SER A 87 2.718 3.568 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.192 2.568 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.482 4.171 -8.492 1.00 0.00 H new ATOM 0 HG SER A 87 4.278 4.031 -9.954 1.00 0.00 H new ATOM 1270 N ALA A 88 4.084 1.394 -6.129 1.00 0.00 N ATOM 1271 CA ALA A 88 4.895 0.253 -5.725 1.00 0.00 C ATOM 1272 C ALA A 88 4.315 -1.051 -6.263 1.00 0.00 C ATOM 1273 O ALA A 88 3.266 -1.510 -5.810 1.00 0.00 O ATOM 1274 CB ALA A 88 5.008 0.196 -4.208 1.00 0.00 C ATOM 0 H ALA A 88 3.092 1.186 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 88 5.891 0.379 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.617 -0.661 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.475 1.111 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.014 0.097 -3.773 1.00 0.00 H new ATOM 1280 N THR A 89 5.003 -1.644 -7.233 1.00 0.00 N ATOM 1281 CA THR A 89 4.555 -2.893 -7.835 1.00 0.00 C ATOM 1282 C THR A 89 4.466 -4.003 -6.794 1.00 0.00 C ATOM 1283 O THR A 89 5.466 -4.369 -6.174 1.00 0.00 O ATOM 1284 CB THR A 89 5.498 -3.341 -8.967 1.00 0.00 C ATOM 1285 OG1 THR A 89 5.679 -2.274 -9.905 1.00 0.00 O ATOM 1286 CG2 THR A 89 4.942 -4.563 -9.683 1.00 0.00 C ATOM 0 H THR A 89 5.874 -1.279 -7.619 1.00 0.00 H new ATOM 0 HA THR A 89 3.564 -2.707 -8.250 1.00 0.00 H new ATOM 0 HB THR A 89 6.460 -3.604 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.281 -2.566 -10.621 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.625 -4.861 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.833 -5.382 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.969 -4.322 -10.112 1.00 0.00 H new ATOM 1294 N LEU A 90 3.264 -4.538 -6.607 1.00 0.00 N ATOM 1295 CA LEU A 90 3.045 -5.608 -5.641 1.00 0.00 C ATOM 1296 C LEU A 90 3.033 -6.969 -6.329 1.00 0.00 C ATOM 1297 O LEU A 90 2.272 -7.195 -7.271 1.00 0.00 O ATOM 1298 CB LEU A 90 1.726 -5.388 -4.897 1.00 0.00 C ATOM 1299 CG LEU A 90 1.264 -6.535 -3.997 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.201 -6.691 -2.809 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.163 -6.300 -3.524 1.00 0.00 C ATOM 0 H LEU A 90 2.427 -4.248 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 90 3.866 -5.591 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.821 -4.490 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.945 -5.192 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 90 1.287 -7.458 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.857 -7.512 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.208 -6.905 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.210 -5.768 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.475 -7.126 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.211 -5.368 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.827 -6.238 -4.386 1.00 0.00 H new ATOM 1313 N THR A 91 3.880 -7.876 -5.852 1.00 0.00 N ATOM 1314 CA THR A 91 3.967 -9.215 -6.420 1.00 0.00 C ATOM 1315 C THR A 91 3.390 -10.255 -5.467 1.00 0.00 C ATOM 1316 O THR A 91 3.844 -10.389 -4.330 1.00 0.00 O ATOM 1317 CB THR A 91 5.423 -9.591 -6.753 1.00 0.00 C ATOM 1318 OG1 THR A 91 5.945 -8.700 -7.745 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.511 -11.025 -7.254 1.00 0.00 C ATOM 0 H THR A 91 4.516 -7.707 -5.073 1.00 0.00 H new ATOM 0 HA THR A 91 3.383 -9.206 -7.340 1.00 0.00 H new ATOM 0 HB THR A 91 6.015 -9.505 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.872 -8.945 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.549 -11.267 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.141 -11.703 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.906 -11.134 -8.154 1.00 0.00 H new ATOM 1327 N VAL A 92 2.388 -10.991 -5.937 1.00 0.00 N ATOM 1328 CA VAL A 92 1.750 -12.021 -5.126 1.00 0.00 C ATOM 1329 C VAL A 92 2.262 -13.408 -5.498 1.00 0.00 C ATOM 1330 O VAL A 92 2.458 -13.716 -6.674 1.00 0.00 O ATOM 1331 CB VAL A 92 0.219 -11.992 -5.284 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.425 -13.098 -4.460 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.332 -10.631 -4.886 1.00 0.00 C ATOM 0 H VAL A 92 2.001 -10.893 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 92 2.004 -11.809 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.023 -12.165 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.507 -13.061 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.054 -14.066 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.176 -12.960 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.416 -10.629 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.080 -10.426 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.104 -9.861 -5.523 1.00 0.00 H new ATOM 1343 N LYS A 93 2.477 -14.244 -4.488 1.00 0.00 N ATOM 1344 CA LYS A 93 2.965 -15.601 -4.707 1.00 0.00 C ATOM 1345 C LYS A 93 1.842 -16.618 -4.527 1.00 0.00 C ATOM 1346 O LYS A 93 0.728 -16.265 -4.142 1.00 0.00 O ATOM 1347 CB LYS A 93 4.111 -15.915 -3.743 1.00 0.00 C ATOM 1348 CG LYS A 93 5.390 -15.156 -4.052 1.00 0.00 C ATOM 1349 CD LYS A 93 5.956 -15.544 -5.408 1.00 0.00 C ATOM 1350 CE LYS A 93 5.506 -14.581 -6.496 1.00 0.00 C ATOM 1351 NZ LYS A 93 5.383 -15.256 -7.818 1.00 0.00 N ATOM 0 H LYS A 93 2.321 -14.006 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 93 3.332 -15.668 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.795 -15.679 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.317 -16.985 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.192 -14.084 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.130 -15.357 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.045 -15.556 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.637 -16.555 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.546 -14.145 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.219 -13.760 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.074 -14.566 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.305 -15.651 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.684 -16.023 -7.752 1.00 0.00 H new ATOM 1365 N ALA A 94 2.145 -17.882 -4.805 1.00 0.00 N ATOM 1366 CA ALA A 94 1.163 -18.950 -4.670 1.00 0.00 C ATOM 1367 C ALA A 94 1.404 -19.761 -3.402 1.00 0.00 C ATOM 1368 O ALA A 94 2.472 -20.349 -3.222 1.00 0.00 O ATOM 1369 CB ALA A 94 1.197 -19.856 -5.892 1.00 0.00 C ATOM 0 H ALA A 94 3.063 -18.191 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 94 0.176 -18.494 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.458 -20.649 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.968 -19.273 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.189 -20.296 -5.991 1.00 0.00 H new