USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 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 42 CYS SG : rot -160:sc= 0.935 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -148:sc= 2.65 (180deg=0.0446!) USER MOD Set 2.1: A 72 TYR OH : rot 62:sc= 1.87 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0) USER MOD Set 3.1: A 60 SER OG : rot 76:sc= 0.625 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -112:sc= 0.00753 (180deg=0) USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0.446 USER MOD Set 4.2: A 53 THR OG1 : rot -66:sc= -0.0676 USER MOD Set 5.1: A 31 ASN : amide:sc= 0.0419 K(o=-1.3,f=-6.8!) USER MOD Set 5.2: A 33 LYS NZ :NH3+ 177:sc= -1.08! (180deg=-1.14!) USER MOD Set 5.3: A 34 ASN : amide:sc= -0.223 K(o=-1.3,f=-1.9) USER MOD Single : A 13 SER OG : rot 98:sc= 0.445 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0342 (180deg=-0.289) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -104:sc= -1.7 (180deg=-4.35!) USER MOD Single : A 26 SER OG : rot -39:sc= 1 USER MOD Single : A 28 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : A 30 MET CE :methyl 138:sc= -3.77! (180deg=-6.43!) USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= 0.314 (180deg=-0.417) USER MOD Single : A 39 CYS SG : rot 67:sc= -4.51! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.249) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= -2.56! (180deg=-4.7!) USER MOD Single : A 49 SER OG : rot 74:sc= 0.619 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0.0999 (180deg=0.0149) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -10:sc= 1 USER MOD Single : A 71 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 1.07 (180deg=0.799) USER MOD Single : A 84 THR OG1 : rot -6:sc= 0.553 USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 1.22 (180deg=-0.0893) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -0.0125 (180deg=-0.166) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.0366 (180deg=-0.243) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0486 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= 1.01 (180deg=0.944) USER MOD Single : A 100 CYS SG : rot 80:sc= 0.773 USER MOD Single : A 101 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.915 0.367 1.707 1.00 0.00 N ATOM 78 CA ILE A 7 13.857 -1.078 1.982 1.00 0.00 C ATOM 79 C ILE A 7 13.559 -1.921 0.731 1.00 0.00 C ATOM 80 O ILE A 7 12.543 -1.740 0.069 1.00 0.00 O ATOM 81 CB ILE A 7 12.799 -1.396 3.071 1.00 0.00 C ATOM 82 CG1 ILE A 7 13.148 -0.664 4.377 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.690 -2.902 3.310 1.00 0.00 C ATOM 84 CD1 ILE A 7 12.215 -0.981 5.525 1.00 0.00 C ATOM 0 HA ILE A 7 14.851 -1.349 2.337 1.00 0.00 H new ATOM 0 HB ILE A 7 11.829 -1.044 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.166 -0.924 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.133 0.411 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.941 -3.095 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.396 -3.397 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.655 -3.289 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.526 -0.427 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.198 -0.695 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.248 -2.050 5.736 1.00 0.00 H new ATOM 96 N ALA A 8 14.444 -2.877 0.448 1.00 0.00 N ATOM 97 CA ALA A 8 14.293 -3.762 -0.718 1.00 0.00 C ATOM 98 C ALA A 8 13.116 -4.730 -0.537 1.00 0.00 C ATOM 99 O ALA A 8 12.465 -5.135 -1.507 1.00 0.00 O ATOM 100 CB ALA A 8 15.583 -4.537 -0.966 1.00 0.00 C ATOM 0 H ALA A 8 15.276 -3.062 1.008 1.00 0.00 H new ATOM 0 HA ALA A 8 14.082 -3.138 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.456 -5.187 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.397 -3.837 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.819 -5.141 -0.090 1.00 0.00 H new ATOM 106 N GLY A 9 12.850 -5.102 0.715 1.00 0.00 N ATOM 107 CA GLY A 9 11.698 -5.941 1.026 1.00 0.00 C ATOM 108 C GLY A 9 10.366 -5.300 0.640 1.00 0.00 C ATOM 109 O GLY A 9 9.345 -5.987 0.547 1.00 0.00 O ATOM 0 H GLY A 9 13.413 -4.837 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.800 -6.894 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.693 -6.159 2.094 1.00 0.00 H new ATOM 113 N LEU A 10 10.374 -3.982 0.417 1.00 0.00 N ATOM 114 CA LEU A 10 9.171 -3.260 -0.009 1.00 0.00 C ATOM 115 C LEU A 10 8.818 -3.595 -1.466 1.00 0.00 C ATOM 116 O LEU A 10 7.723 -4.088 -1.743 1.00 0.00 O ATOM 117 CB LEU A 10 9.364 -1.745 0.160 1.00 0.00 C ATOM 118 CG LEU A 10 8.144 -0.876 -0.198 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.940 -1.244 0.668 1.00 0.00 C ATOM 120 CD2 LEU A 10 8.479 0.607 -0.056 1.00 0.00 C ATOM 0 H LEU A 10 11.200 -3.393 0.524 1.00 0.00 H new ATOM 0 HA LEU A 10 8.343 -3.578 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.639 -1.545 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.205 -1.432 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 10 7.883 -1.070 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.091 -0.617 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.683 -2.291 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.186 -1.087 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.604 1.204 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.772 0.817 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.301 0.860 -0.726 1.00 0.00 H new ATOM 132 N GLU A 11 9.746 -3.336 -2.394 1.00 0.00 N ATOM 133 CA GLU A 11 9.529 -3.667 -3.814 1.00 0.00 C ATOM 134 C GLU A 11 9.186 -5.148 -4.004 1.00 0.00 C ATOM 135 O GLU A 11 8.340 -5.488 -4.826 1.00 0.00 O ATOM 136 CB GLU A 11 10.751 -3.327 -4.686 1.00 0.00 C ATOM 137 CG GLU A 11 11.066 -1.838 -4.796 1.00 0.00 C ATOM 138 CD GLU A 11 11.861 -1.314 -3.615 1.00 0.00 C ATOM 139 OE1 GLU A 11 11.251 -0.988 -2.584 1.00 0.00 O ATOM 140 OE2 GLU A 11 13.104 -1.227 -3.724 1.00 0.00 O ATOM 0 H GLU A 11 10.647 -2.902 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 11 8.686 -3.054 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.623 -3.839 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.586 -3.724 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.626 -1.657 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.133 -1.279 -4.876 1.00 0.00 H new ATOM 147 N GLU A 12 9.850 -6.029 -3.251 1.00 0.00 N ATOM 148 CA GLU A 12 9.580 -7.468 -3.358 1.00 0.00 C ATOM 149 C GLU A 12 8.127 -7.799 -2.987 1.00 0.00 C ATOM 150 O GLU A 12 7.396 -8.380 -3.789 1.00 0.00 O ATOM 151 CB GLU A 12 10.540 -8.290 -2.490 1.00 0.00 C ATOM 152 CG GLU A 12 10.268 -9.788 -2.572 1.00 0.00 C ATOM 153 CD GLU A 12 11.306 -10.626 -1.850 1.00 0.00 C ATOM 154 OE1 GLU A 12 11.134 -10.887 -0.642 1.00 0.00 O ATOM 155 OE2 GLU A 12 12.289 -11.045 -2.500 1.00 0.00 O ATOM 0 H GLU A 12 10.567 -5.779 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 12 9.741 -7.739 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.566 -8.093 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.455 -7.965 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.285 -9.996 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.234 -10.087 -3.620 1.00 0.00 H new ATOM 162 N SER A 13 7.714 -7.424 -1.775 1.00 0.00 N ATOM 163 CA SER A 13 6.331 -7.665 -1.323 1.00 0.00 C ATOM 164 C SER A 13 5.323 -7.016 -2.279 1.00 0.00 C ATOM 165 O SER A 13 4.337 -7.635 -2.681 1.00 0.00 O ATOM 166 CB SER A 13 6.126 -7.127 0.101 1.00 0.00 C ATOM 167 OG SER A 13 4.825 -7.423 0.586 1.00 0.00 O ATOM 0 H SER A 13 8.307 -6.956 -1.090 1.00 0.00 H new ATOM 0 HA SER A 13 6.162 -8.742 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.871 -7.562 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.282 -6.048 0.110 1.00 0.00 H new ATOM 0 HG SER A 13 4.859 -8.228 1.144 1.00 0.00 H new ATOM 173 N PHE A 14 5.603 -5.771 -2.667 1.00 0.00 N ATOM 174 CA PHE A 14 4.780 -5.051 -3.644 1.00 0.00 C ATOM 175 C PHE A 14 4.702 -5.809 -4.981 1.00 0.00 C ATOM 176 O PHE A 14 3.645 -5.883 -5.604 1.00 0.00 O ATOM 177 CB PHE A 14 5.346 -3.640 -3.871 1.00 0.00 C ATOM 178 CG PHE A 14 4.620 -2.853 -4.939 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.363 -2.321 -4.694 1.00 0.00 C ATOM 180 CD2 PHE A 14 5.189 -2.654 -6.191 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.693 -1.606 -5.670 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.520 -1.943 -7.170 1.00 0.00 C ATOM 183 CZ PHE A 14 3.272 -1.418 -6.909 1.00 0.00 C ATOM 0 H PHE A 14 6.398 -5.236 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 14 3.770 -4.976 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.303 -3.087 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.398 -3.721 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.901 -2.467 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.167 -3.060 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.716 -1.194 -5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.975 -1.799 -8.139 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.749 -0.861 -7.672 1.00 0.00 H new ATOM 193 N ARG A 15 5.826 -6.370 -5.416 1.00 0.00 N ATOM 194 CA ARG A 15 5.883 -7.121 -6.671 1.00 0.00 C ATOM 195 C ARG A 15 5.067 -8.419 -6.573 1.00 0.00 C ATOM 196 O ARG A 15 4.306 -8.753 -7.482 1.00 0.00 O ATOM 197 CB ARG A 15 7.344 -7.431 -7.031 1.00 0.00 C ATOM 198 CG ARG A 15 7.529 -8.036 -8.421 1.00 0.00 C ATOM 199 CD ARG A 15 9.002 -8.270 -8.745 1.00 0.00 C ATOM 200 NE ARG A 15 9.193 -8.735 -10.119 1.00 0.00 N ATOM 201 CZ ARG A 15 10.313 -8.627 -10.785 1.00 0.00 C ATOM 202 NH1 ARG A 15 11.390 -8.199 -10.212 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.356 -8.992 -12.022 1.00 0.00 N ATOM 0 H ARG A 15 6.714 -6.320 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 15 5.446 -6.509 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.926 -6.512 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.751 -8.119 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.989 -8.981 -8.481 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.094 -7.372 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.558 -7.345 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.413 -9.005 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 15 8.400 -9.172 -10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.374 -7.940 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.255 -8.121 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.520 -9.362 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.226 -8.911 -12.548 1.00 0.00 H new ATOM 217 N LYS A 16 5.218 -9.132 -5.453 1.00 0.00 N ATOM 218 CA LYS A 16 4.475 -10.376 -5.207 1.00 0.00 C ATOM 219 C LYS A 16 2.961 -10.117 -5.143 1.00 0.00 C ATOM 220 O LYS A 16 2.159 -10.963 -5.544 1.00 0.00 O ATOM 221 CB LYS A 16 4.949 -11.036 -3.902 1.00 0.00 C ATOM 222 CG LYS A 16 6.432 -11.407 -3.889 1.00 0.00 C ATOM 223 CD LYS A 16 6.793 -12.363 -5.021 1.00 0.00 C ATOM 224 CE LYS A 16 8.248 -12.807 -4.938 1.00 0.00 C ATOM 225 NZ LYS A 16 8.543 -13.541 -3.675 1.00 0.00 N ATOM 0 H LYS A 16 5.851 -8.869 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 16 4.672 -11.051 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.748 -10.359 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.359 -11.936 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.033 -10.501 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.682 -11.867 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.143 -13.237 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.615 -11.876 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.480 -13.446 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.897 -11.934 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.452 -14.038 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.596 -12.866 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.788 -14.232 -3.490 1.00 0.00 H new ATOM 239 N PHE A 17 2.579 -8.956 -4.616 1.00 0.00 N ATOM 240 CA PHE A 17 1.179 -8.521 -4.622 1.00 0.00 C ATOM 241 C PHE A 17 0.726 -8.112 -6.032 1.00 0.00 C ATOM 242 O PHE A 17 -0.312 -8.556 -6.511 1.00 0.00 O ATOM 243 CB PHE A 17 0.968 -7.346 -3.652 1.00 0.00 C ATOM 244 CG PHE A 17 0.515 -7.758 -2.272 1.00 0.00 C ATOM 245 CD1 PHE A 17 -0.796 -8.168 -2.057 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.383 -7.724 -1.189 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.228 -8.533 -0.797 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.954 -8.091 0.074 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.353 -8.495 0.269 1.00 0.00 C ATOM 0 H PHE A 17 3.220 -8.295 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 17 0.575 -9.368 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.901 -6.789 -3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.229 -6.666 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.486 -8.202 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.405 -7.407 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.250 -8.848 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.640 -8.062 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.689 -8.781 1.255 1.00 0.00 H new ATOM 259 N ALA A 18 1.516 -7.266 -6.686 1.00 0.00 N ATOM 260 CA ALA A 18 1.165 -6.727 -8.006 1.00 0.00 C ATOM 261 C ALA A 18 0.908 -7.829 -9.047 1.00 0.00 C ATOM 262 O ALA A 18 -0.085 -7.788 -9.770 1.00 0.00 O ATOM 263 CB ALA A 18 2.263 -5.788 -8.496 1.00 0.00 C ATOM 0 H ALA A 18 2.410 -6.934 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 18 0.232 -6.175 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.994 -5.393 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.378 -4.964 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.203 -6.335 -8.571 1.00 0.00 H new ATOM 269 N ILE A 19 1.800 -8.818 -9.116 1.00 0.00 N ATOM 270 CA ILE A 19 1.682 -9.898 -10.112 1.00 0.00 C ATOM 271 C ILE A 19 0.730 -11.014 -9.642 1.00 0.00 C ATOM 272 O ILE A 19 0.585 -12.049 -10.304 1.00 0.00 O ATOM 273 CB ILE A 19 3.067 -10.513 -10.441 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.644 -11.240 -9.209 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.027 -9.428 -10.930 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.013 -11.855 -9.431 1.00 0.00 C ATOM 0 H ILE A 19 2.609 -8.899 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 19 1.266 -9.444 -11.011 1.00 0.00 H new ATOM 0 HB ILE A 19 2.941 -11.246 -11.238 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.706 -10.534 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.951 -12.025 -8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.995 -9.874 -11.157 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.622 -8.962 -11.829 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.149 -8.673 -10.153 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.344 -12.346 -8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.956 -12.588 -10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.723 -11.074 -9.701 1.00 0.00 H new ATOM 288 N HIS A 20 0.081 -10.798 -8.500 1.00 0.00 N ATOM 289 CA HIS A 20 -0.852 -11.775 -7.935 1.00 0.00 C ATOM 290 C HIS A 20 -2.207 -11.700 -8.660 1.00 0.00 C ATOM 291 O HIS A 20 -2.983 -10.765 -8.457 1.00 0.00 O ATOM 292 CB HIS A 20 -1.018 -11.517 -6.430 1.00 0.00 C ATOM 293 CG HIS A 20 -1.710 -12.619 -5.686 1.00 0.00 C ATOM 294 ND1 HIS A 20 -1.039 -13.709 -5.180 1.00 0.00 N ATOM 295 CD2 HIS A 20 -3.009 -12.790 -5.346 1.00 0.00 C ATOM 296 CE1 HIS A 20 -1.888 -14.502 -4.564 1.00 0.00 C ATOM 297 NE2 HIS A 20 -3.089 -13.970 -4.649 1.00 0.00 N ATOM 0 H HIS A 20 0.184 -9.950 -7.943 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.452 -12.779 -8.075 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.033 -11.360 -5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.580 -10.593 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.827 -12.125 -5.579 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.642 -15.431 -4.072 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.942 -14.370 -4.259 1.00 0.00 H new ATOM 306 N GLY A 21 -2.481 -12.680 -9.514 1.00 0.00 N ATOM 307 CA GLY A 21 -3.684 -12.642 -10.339 1.00 0.00 C ATOM 308 C GLY A 21 -3.454 -11.921 -11.664 1.00 0.00 C ATOM 309 O GLY A 21 -3.551 -12.525 -12.736 1.00 0.00 O ATOM 0 H GLY A 21 -1.894 -13.502 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.020 -13.660 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.483 -12.143 -9.790 1.00 0.00 H new ATOM 313 N ASP A 22 -3.156 -10.624 -11.586 1.00 0.00 N ATOM 314 CA ASP A 22 -2.814 -9.819 -12.767 1.00 0.00 C ATOM 315 C ASP A 22 -1.289 -9.850 -13.024 1.00 0.00 C ATOM 316 O ASP A 22 -0.532 -9.085 -12.426 1.00 0.00 O ATOM 317 CB ASP A 22 -3.299 -8.374 -12.573 1.00 0.00 C ATOM 318 CG ASP A 22 -4.808 -8.288 -12.387 1.00 0.00 C ATOM 319 OD1 ASP A 22 -5.303 -8.594 -11.279 1.00 0.00 O ATOM 320 OD2 ASP A 22 -5.515 -7.921 -13.356 1.00 0.00 O ATOM 0 H ASP A 22 -3.144 -10.101 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.313 -10.244 -13.638 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.803 -7.941 -11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.008 -7.777 -13.437 1.00 0.00 H new ATOM 325 N PRO A 23 -0.817 -10.727 -13.941 1.00 0.00 N ATOM 326 CA PRO A 23 0.624 -10.992 -14.118 1.00 0.00 C ATOM 327 C PRO A 23 1.395 -9.852 -14.811 1.00 0.00 C ATOM 328 O PRO A 23 2.573 -9.629 -14.528 1.00 0.00 O ATOM 329 CB PRO A 23 0.637 -12.256 -14.988 1.00 0.00 C ATOM 330 CG PRO A 23 -0.626 -12.182 -15.779 1.00 0.00 C ATOM 331 CD PRO A 23 -1.642 -11.514 -14.885 1.00 0.00 C ATOM 0 HA PRO A 23 1.126 -11.095 -13.156 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.511 -12.280 -15.639 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.669 -13.158 -14.377 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.479 -11.611 -16.696 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.960 -13.177 -16.073 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.318 -10.876 -15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.259 -12.246 -14.363 1.00 0.00 H new ATOM 339 N LYS A 24 0.727 -9.113 -15.698 1.00 0.00 N ATOM 340 CA LYS A 24 1.404 -8.100 -16.520 1.00 0.00 C ATOM 341 C LYS A 24 1.720 -6.823 -15.722 1.00 0.00 C ATOM 342 O LYS A 24 2.257 -5.854 -16.266 1.00 0.00 O ATOM 343 CB LYS A 24 0.560 -7.770 -17.760 1.00 0.00 C ATOM 344 CG LYS A 24 -0.791 -7.137 -17.450 1.00 0.00 C ATOM 345 CD LYS A 24 -1.649 -6.943 -18.706 1.00 0.00 C ATOM 346 CE LYS A 24 -1.055 -5.927 -19.689 1.00 0.00 C ATOM 347 NZ LYS A 24 0.141 -6.447 -20.417 1.00 0.00 N ATOM 0 H LYS A 24 -0.276 -9.193 -15.868 1.00 0.00 H new ATOM 0 HA LYS A 24 2.357 -8.521 -16.840 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.126 -7.094 -18.401 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.397 -8.686 -18.328 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.329 -7.765 -16.740 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.635 -6.172 -16.968 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.766 -7.902 -19.211 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.645 -6.614 -18.411 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.818 -5.642 -20.413 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.778 -5.024 -19.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.003 -6.026 -20.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.183 -7.482 -20.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.071 -6.195 -21.424 1.00 0.00 H new ATOM 361 N ALA A 25 1.395 -6.829 -14.428 1.00 0.00 N ATOM 362 CA ALA A 25 1.715 -5.702 -13.548 1.00 0.00 C ATOM 363 C ALA A 25 3.237 -5.540 -13.378 1.00 0.00 C ATOM 364 O ALA A 25 3.750 -4.422 -13.285 1.00 0.00 O ATOM 365 CB ALA A 25 1.045 -5.889 -12.194 1.00 0.00 C ATOM 0 H ALA A 25 0.912 -7.599 -13.966 1.00 0.00 H new ATOM 0 HA ALA A 25 1.333 -4.792 -14.010 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.289 -5.046 -11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.035 -5.943 -12.327 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.401 -6.812 -11.736 1.00 0.00 H new ATOM 371 N SER A 26 3.945 -6.675 -13.315 1.00 0.00 N ATOM 372 CA SER A 26 5.424 -6.707 -13.249 1.00 0.00 C ATOM 373 C SER A 26 6.001 -5.891 -12.074 1.00 0.00 C ATOM 374 O SER A 26 7.194 -5.585 -12.049 1.00 0.00 O ATOM 375 CB SER A 26 6.028 -6.215 -14.573 1.00 0.00 C ATOM 376 OG SER A 26 7.445 -6.355 -14.581 1.00 0.00 O ATOM 0 H SER A 26 3.515 -7.600 -13.308 1.00 0.00 H new ATOM 0 HA SER A 26 5.701 -7.747 -13.076 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.600 -6.779 -15.402 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.763 -5.169 -14.729 1.00 0.00 H new ATOM 0 HG SER A 26 7.801 -6.128 -13.697 1.00 0.00 H new ATOM 382 N GLY A 27 5.163 -5.554 -11.096 1.00 0.00 N ATOM 383 CA GLY A 27 5.628 -4.787 -9.939 1.00 0.00 C ATOM 384 C GLY A 27 5.848 -3.302 -10.229 1.00 0.00 C ATOM 385 O GLY A 27 6.488 -2.598 -9.446 1.00 0.00 O ATOM 0 H GLY A 27 4.172 -5.795 -11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.900 -4.886 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.562 -5.219 -9.580 1.00 0.00 H new ATOM 389 N GLN A 28 5.337 -2.829 -11.361 1.00 0.00 N ATOM 390 CA GLN A 28 5.395 -1.402 -11.701 1.00 0.00 C ATOM 391 C GLN A 28 4.090 -0.700 -11.296 1.00 0.00 C ATOM 392 O GLN A 28 4.094 0.445 -10.845 1.00 0.00 O ATOM 393 CB GLN A 28 5.639 -1.229 -13.210 1.00 0.00 C ATOM 394 CG GLN A 28 5.723 0.226 -13.665 1.00 0.00 C ATOM 395 CD GLN A 28 5.952 0.360 -15.162 1.00 0.00 C ATOM 396 OE1 GLN A 28 7.084 0.404 -15.631 1.00 0.00 O ATOM 397 NE2 GLN A 28 4.879 0.433 -15.926 1.00 0.00 N ATOM 0 H GLN A 28 4.877 -3.409 -12.062 1.00 0.00 H new ATOM 0 HA GLN A 28 6.220 -0.947 -11.152 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.566 -1.736 -13.478 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.836 -1.723 -13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.801 0.741 -13.395 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.533 0.723 -13.132 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.950 0.394 -15.506 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.978 0.529 -16.937 1.00 0.00 H new ATOM 406 N GLU A 29 2.977 -1.413 -11.456 1.00 0.00 N ATOM 407 CA GLU A 29 1.641 -0.877 -11.155 1.00 0.00 C ATOM 408 C GLU A 29 0.783 -1.921 -10.419 1.00 0.00 C ATOM 409 O GLU A 29 0.860 -3.116 -10.705 1.00 0.00 O ATOM 410 CB GLU A 29 0.955 -0.424 -12.459 1.00 0.00 C ATOM 411 CG GLU A 29 1.527 0.871 -13.037 1.00 0.00 C ATOM 412 CD GLU A 29 1.119 1.124 -14.481 1.00 0.00 C ATOM 413 OE1 GLU A 29 -0.046 1.508 -14.730 1.00 0.00 O ATOM 414 OE2 GLU A 29 1.975 0.954 -15.378 1.00 0.00 O ATOM 0 H GLU A 29 2.970 -2.375 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 29 1.749 -0.015 -10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.049 -1.216 -13.202 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.110 -0.288 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.199 1.710 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.615 0.837 -12.976 1.00 0.00 H new ATOM 421 N MET A 30 -0.027 -1.460 -9.467 1.00 0.00 N ATOM 422 CA MET A 30 -0.832 -2.352 -8.621 1.00 0.00 C ATOM 423 C MET A 30 -2.329 -2.005 -8.693 1.00 0.00 C ATOM 424 O MET A 30 -2.706 -0.835 -8.752 1.00 0.00 O ATOM 425 CB MET A 30 -0.332 -2.262 -7.176 1.00 0.00 C ATOM 426 CG MET A 30 -0.992 -3.243 -6.224 1.00 0.00 C ATOM 427 SD MET A 30 -0.279 -3.168 -4.572 1.00 0.00 S ATOM 428 CE MET A 30 -1.208 -4.461 -3.761 1.00 0.00 C ATOM 0 H MET A 30 -0.146 -0.469 -9.258 1.00 0.00 H new ATOM 0 HA MET A 30 -0.719 -3.372 -8.988 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.745 -2.432 -7.165 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.499 -1.249 -6.809 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.060 -3.030 -6.168 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.889 -4.254 -6.617 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.540 -5.050 -3.132 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.988 -4.016 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.663 -5.107 -4.511 1.00 0.00 H new ATOM 438 N ASN A 31 -3.179 -3.031 -8.675 1.00 0.00 N ATOM 439 CA ASN A 31 -4.626 -2.851 -8.846 1.00 0.00 C ATOM 440 C ASN A 31 -5.397 -2.962 -7.518 1.00 0.00 C ATOM 441 O ASN A 31 -4.877 -3.462 -6.515 1.00 0.00 O ATOM 442 CB ASN A 31 -5.145 -3.881 -9.855 1.00 0.00 C ATOM 443 CG ASN A 31 -4.856 -5.312 -9.435 1.00 0.00 C ATOM 444 OD1 ASN A 31 -3.949 -5.580 -8.651 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.607 -6.244 -9.972 1.00 0.00 N ATOM 0 H ASN A 31 -2.892 -4.001 -8.543 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.796 -1.841 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.220 -3.753 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.689 -3.693 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.446 -7.225 -9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.352 -5.988 -10.620 1.00 0.00 H new ATOM 452 N GLY A 32 -6.652 -2.504 -7.536 1.00 0.00 N ATOM 453 CA GLY A 32 -7.494 -2.516 -6.340 1.00 0.00 C ATOM 454 C GLY A 32 -7.698 -3.910 -5.746 1.00 0.00 C ATOM 455 O GLY A 32 -7.836 -4.057 -4.532 1.00 0.00 O ATOM 0 H GLY A 32 -7.105 -2.121 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.046 -1.871 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.466 -2.090 -6.587 1.00 0.00 H new ATOM 459 N LYS A 33 -7.719 -4.931 -6.609 1.00 0.00 N ATOM 460 CA LYS A 33 -7.832 -6.335 -6.170 1.00 0.00 C ATOM 461 C LYS A 33 -6.846 -6.648 -5.029 1.00 0.00 C ATOM 462 O LYS A 33 -7.240 -6.981 -3.904 1.00 0.00 O ATOM 463 CB LYS A 33 -7.552 -7.282 -7.357 1.00 0.00 C ATOM 464 CG LYS A 33 -7.517 -8.765 -6.977 1.00 0.00 C ATOM 465 CD LYS A 33 -6.909 -9.650 -8.077 1.00 0.00 C ATOM 466 CE LYS A 33 -7.820 -9.811 -9.296 1.00 0.00 C ATOM 467 NZ LYS A 33 -7.861 -8.598 -10.157 1.00 0.00 N ATOM 0 H LYS A 33 -7.659 -4.815 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.847 -6.488 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.318 -7.131 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.597 -7.010 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.940 -8.886 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.531 -9.104 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.959 -9.220 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.691 -10.634 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.477 -10.659 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.830 -10.045 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.453 -8.785 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.262 -7.804 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.897 -8.357 -10.463 1.00 0.00 H new ATOM 481 N ASN A 34 -5.559 -6.513 -5.331 1.00 0.00 N ATOM 482 CA ASN A 34 -4.494 -6.860 -4.390 1.00 0.00 C ATOM 483 C ASN A 34 -4.264 -5.757 -3.343 1.00 0.00 C ATOM 484 O ASN A 34 -3.692 -6.012 -2.291 1.00 0.00 O ATOM 485 CB ASN A 34 -3.210 -7.146 -5.173 1.00 0.00 C ATOM 486 CG ASN A 34 -3.402 -8.287 -6.155 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.118 -9.243 -5.881 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.788 -8.187 -7.313 1.00 0.00 N ATOM 0 H ASN A 34 -5.224 -6.163 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.796 -7.751 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.903 -6.249 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.406 -7.393 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.901 -8.918 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.199 -7.378 -7.510 1.00 0.00 H new ATOM 495 N TRP A 35 -4.704 -4.536 -3.647 1.00 0.00 N ATOM 496 CA TRP A 35 -4.604 -3.406 -2.705 1.00 0.00 C ATOM 497 C TRP A 35 -5.564 -3.586 -1.515 1.00 0.00 C ATOM 498 O TRP A 35 -5.162 -3.468 -0.352 1.00 0.00 O ATOM 499 CB TRP A 35 -4.895 -2.090 -3.449 1.00 0.00 C ATOM 500 CG TRP A 35 -5.029 -0.882 -2.564 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.163 -0.151 -2.337 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.993 -0.259 -1.792 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.894 0.892 -1.483 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.571 0.842 -1.130 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.636 -0.526 -1.596 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.834 1.677 -0.293 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.909 0.301 -0.760 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.509 1.388 -0.116 1.00 0.00 C ATOM 0 H TRP A 35 -5.136 -4.297 -4.540 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.591 -3.373 -2.303 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.095 -1.910 -4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.815 -2.208 -4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.131 -0.363 -2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.568 1.588 -1.165 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.163 -1.363 -2.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.293 2.522 0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.859 0.104 -0.601 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.914 2.012 0.534 1.00 0.00 H new ATOM 519 N ALA A 36 -6.835 -3.875 -1.805 1.00 0.00 N ATOM 520 CA ALA A 36 -7.807 -4.195 -0.756 1.00 0.00 C ATOM 521 C ALA A 36 -7.353 -5.434 0.027 1.00 0.00 C ATOM 522 O ALA A 36 -7.406 -5.471 1.266 1.00 0.00 O ATOM 523 CB ALA A 36 -9.194 -4.412 -1.360 1.00 0.00 C ATOM 0 H ALA A 36 -7.214 -3.894 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.866 -3.354 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.903 -4.649 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.513 -3.505 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.156 -5.237 -2.071 1.00 0.00 H new ATOM 529 N LYS A 37 -6.889 -6.445 -0.709 1.00 0.00 N ATOM 530 CA LYS A 37 -6.308 -7.642 -0.100 1.00 0.00 C ATOM 531 C LYS A 37 -5.132 -7.268 0.808 1.00 0.00 C ATOM 532 O LYS A 37 -5.049 -7.730 1.936 1.00 0.00 O ATOM 533 CB LYS A 37 -5.823 -8.609 -1.190 1.00 0.00 C ATOM 534 CG LYS A 37 -5.475 -10.005 -0.680 1.00 0.00 C ATOM 535 CD LYS A 37 -4.699 -10.805 -1.724 1.00 0.00 C ATOM 536 CE LYS A 37 -4.588 -12.279 -1.353 1.00 0.00 C ATOM 537 NZ LYS A 37 -4.078 -12.487 0.030 1.00 0.00 N ATOM 0 H LYS A 37 -6.904 -6.458 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.079 -8.128 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.597 -8.696 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.945 -8.182 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.883 -9.923 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.390 -10.537 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.192 -10.712 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.700 -10.383 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.567 -12.748 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.925 -12.778 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.512 -13.359 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.486 -11.678 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.880 -12.570 0.687 1.00 0.00 H new ATOM 551 N LEU A 38 -4.243 -6.410 0.303 1.00 0.00 N ATOM 552 CA LEU A 38 -3.053 -5.964 1.044 1.00 0.00 C ATOM 553 C LEU A 38 -3.434 -5.439 2.434 1.00 0.00 C ATOM 554 O LEU A 38 -2.812 -5.794 3.441 1.00 0.00 O ATOM 555 CB LEU A 38 -2.313 -4.879 0.228 1.00 0.00 C ATOM 556 CG LEU A 38 -0.921 -4.459 0.751 1.00 0.00 C ATOM 557 CD1 LEU A 38 -0.090 -3.821 -0.359 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.027 -3.497 1.937 1.00 0.00 C ATOM 0 H LEU A 38 -4.324 -6.003 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.388 -6.815 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.200 -5.238 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.945 -3.992 0.187 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.422 -5.366 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.885 -3.534 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.043 -4.536 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.604 -2.936 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.027 -3.225 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.563 -2.599 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.567 -3.981 2.751 1.00 0.00 H new ATOM 570 N CYS A 39 -4.461 -4.596 2.479 1.00 0.00 N ATOM 571 CA CYS A 39 -4.962 -4.054 3.746 1.00 0.00 C ATOM 572 C CYS A 39 -5.348 -5.177 4.716 1.00 0.00 C ATOM 573 O CYS A 39 -4.910 -5.195 5.868 1.00 0.00 O ATOM 574 CB CYS A 39 -6.166 -3.141 3.492 1.00 0.00 C ATOM 575 SG CYS A 39 -5.789 -1.703 2.466 1.00 0.00 S ATOM 0 H CYS A 39 -4.966 -4.271 1.654 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.162 -3.472 4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.955 -3.721 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.559 -2.799 4.449 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.493 -2.094 1.262 1.00 0.00 H new ATOM 581 N LYS A 40 -6.149 -6.125 4.233 1.00 0.00 N ATOM 582 CA LYS A 40 -6.586 -7.271 5.053 1.00 0.00 C ATOM 583 C LYS A 40 -5.435 -8.268 5.310 1.00 0.00 C ATOM 584 O LYS A 40 -5.392 -8.939 6.344 1.00 0.00 O ATOM 585 CB LYS A 40 -7.753 -7.984 4.354 1.00 0.00 C ATOM 586 CG LYS A 40 -8.319 -9.173 5.127 1.00 0.00 C ATOM 587 CD LYS A 40 -9.438 -9.861 4.352 1.00 0.00 C ATOM 588 CE LYS A 40 -10.023 -11.037 5.125 1.00 0.00 C ATOM 589 NZ LYS A 40 -11.104 -11.714 4.362 1.00 0.00 N ATOM 0 H LYS A 40 -6.512 -6.129 3.280 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.909 -6.889 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.553 -7.264 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.419 -8.328 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.522 -9.889 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.698 -8.835 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.226 -9.140 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.054 -10.211 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.233 -11.753 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.416 -10.686 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.477 -12.508 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.869 -11.037 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.723 -12.071 3.463 1.00 0.00 H new ATOM 603 N ASP A 41 -4.497 -8.331 4.372 1.00 0.00 N ATOM 604 CA ASP A 41 -3.408 -9.316 4.389 1.00 0.00 C ATOM 605 C ASP A 41 -2.341 -8.945 5.430 1.00 0.00 C ATOM 606 O ASP A 41 -1.848 -9.794 6.176 1.00 0.00 O ATOM 607 CB ASP A 41 -2.780 -9.387 2.987 1.00 0.00 C ATOM 608 CG ASP A 41 -2.054 -10.691 2.713 1.00 0.00 C ATOM 609 OD1 ASP A 41 -0.942 -10.883 3.241 1.00 0.00 O ATOM 610 OD2 ASP A 41 -2.594 -11.526 1.957 1.00 0.00 O ATOM 0 H ASP A 41 -4.465 -7.699 3.572 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.814 -10.289 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.562 -9.252 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.081 -8.559 2.869 1.00 0.00 H new ATOM 615 N CYS A 42 -1.967 -7.668 5.457 1.00 0.00 N ATOM 616 CA CYS A 42 -0.983 -7.167 6.422 1.00 0.00 C ATOM 617 C CYS A 42 -1.654 -6.396 7.568 1.00 0.00 C ATOM 618 O CYS A 42 -0.971 -5.868 8.449 1.00 0.00 O ATOM 619 CB CYS A 42 0.047 -6.277 5.714 1.00 0.00 C ATOM 620 SG CYS A 42 0.926 -7.107 4.367 1.00 0.00 S ATOM 0 H CYS A 42 -2.330 -6.957 4.821 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.475 -8.028 6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.459 -5.397 5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.773 -5.924 6.446 1.00 0.00 H new ATOM 0 HG CYS A 42 2.029 -6.468 4.110 1.00 0.00 H new ATOM 626 N LYS A 43 -2.992 -6.337 7.546 1.00 0.00 N ATOM 627 CA LYS A 43 -3.772 -5.664 8.597 1.00 0.00 C ATOM 628 C LYS A 43 -3.448 -4.165 8.660 1.00 0.00 C ATOM 629 O LYS A 43 -3.461 -3.552 9.727 1.00 0.00 O ATOM 630 CB LYS A 43 -3.538 -6.336 9.962 1.00 0.00 C ATOM 631 CG LYS A 43 -3.984 -7.797 10.008 1.00 0.00 C ATOM 632 CD LYS A 43 -5.468 -7.947 9.675 1.00 0.00 C ATOM 633 CE LYS A 43 -5.922 -9.399 9.749 1.00 0.00 C ATOM 634 NZ LYS A 43 -5.728 -9.978 11.102 1.00 0.00 N ATOM 0 H LYS A 43 -3.561 -6.750 6.807 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.828 -5.762 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.478 -6.280 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.073 -5.777 10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.392 -8.380 9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.791 -8.205 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.058 -7.346 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.657 -7.558 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.975 -9.463 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.367 -9.989 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.243 -10.879 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.715 -10.145 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.090 -9.316 11.818 1.00 0.00 H new ATOM 648 N VAL A 44 -3.186 -3.581 7.491 1.00 0.00 N ATOM 649 CA VAL A 44 -2.863 -2.157 7.383 1.00 0.00 C ATOM 650 C VAL A 44 -4.077 -1.279 7.719 1.00 0.00 C ATOM 651 O VAL A 44 -3.951 -0.264 8.411 1.00 0.00 O ATOM 652 CB VAL A 44 -2.353 -1.804 5.966 1.00 0.00 C ATOM 653 CG1 VAL A 44 -1.979 -0.326 5.872 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.167 -2.689 5.590 1.00 0.00 C ATOM 0 H VAL A 44 -3.191 -4.076 6.599 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.072 -1.957 8.106 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.160 -1.990 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.624 -0.104 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.854 0.285 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.192 -0.103 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.820 -2.428 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.359 -2.537 6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.474 -3.735 5.606 1.00 0.00 H new ATOM 664 N ALA A 45 -5.257 -1.668 7.226 1.00 0.00 N ATOM 665 CA ALA A 45 -6.482 -0.918 7.524 1.00 0.00 C ATOM 666 C ALA A 45 -6.944 -1.164 8.967 1.00 0.00 C ATOM 667 O ALA A 45 -7.672 -2.117 9.252 1.00 0.00 O ATOM 668 CB ALA A 45 -7.595 -1.246 6.533 1.00 0.00 C ATOM 0 H ALA A 45 -5.390 -2.484 6.629 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.249 0.142 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.487 -0.672 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.271 -0.990 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.823 -2.311 6.581 1.00 0.00 H new ATOM 674 N ASP A 46 -6.485 -0.297 9.869 1.00 0.00 N ATOM 675 CA ASP A 46 -6.818 -0.364 11.301 1.00 0.00 C ATOM 676 C ASP A 46 -8.342 -0.448 11.557 1.00 0.00 C ATOM 677 O ASP A 46 -8.785 -0.987 12.573 1.00 0.00 O ATOM 678 CB ASP A 46 -6.213 0.867 11.996 1.00 0.00 C ATOM 679 CG ASP A 46 -6.586 0.983 13.463 1.00 0.00 C ATOM 680 OD1 ASP A 46 -6.087 0.186 14.280 1.00 0.00 O ATOM 681 OD2 ASP A 46 -7.384 1.878 13.806 1.00 0.00 O ATOM 0 H ASP A 46 -5.867 0.479 9.630 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.395 -1.281 11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.127 0.826 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.541 1.766 11.474 1.00 0.00 H new ATOM 686 N GLY A 47 -9.139 0.077 10.632 1.00 0.00 N ATOM 687 CA GLY A 47 -10.588 0.092 10.800 1.00 0.00 C ATOM 688 C GLY A 47 -11.052 1.223 11.708 1.00 0.00 C ATOM 689 O GLY A 47 -11.863 2.061 11.316 1.00 0.00 O ATOM 0 H GLY A 47 -8.808 0.496 9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.064 0.194 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.913 -0.862 11.216 1.00 0.00 H new ATOM 693 N LYS A 48 -10.509 1.251 12.918 1.00 0.00 N ATOM 694 CA LYS A 48 -10.789 2.315 13.888 1.00 0.00 C ATOM 695 C LYS A 48 -10.282 3.680 13.378 1.00 0.00 C ATOM 696 O LYS A 48 -10.874 4.725 13.658 1.00 0.00 O ATOM 697 CB LYS A 48 -10.127 1.957 15.229 1.00 0.00 C ATOM 698 CG LYS A 48 -10.129 3.074 16.266 1.00 0.00 C ATOM 699 CD LYS A 48 -9.305 2.712 17.505 1.00 0.00 C ATOM 700 CE LYS A 48 -7.805 2.573 17.205 1.00 0.00 C ATOM 701 NZ LYS A 48 -7.462 1.312 16.483 1.00 0.00 N ATOM 0 H LYS A 48 -9.862 0.540 13.260 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.867 2.398 14.024 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.637 1.090 15.649 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.096 1.659 15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.729 3.984 15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.155 3.289 16.564 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.449 3.478 18.267 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.676 1.775 17.921 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.480 3.425 16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.249 2.610 18.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.633 0.871 16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.268 0.657 16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.246 1.529 15.489 1.00 0.00 H new ATOM 715 N SER A 49 -9.179 3.658 12.627 1.00 0.00 N ATOM 716 CA SER A 49 -8.591 4.879 12.057 1.00 0.00 C ATOM 717 C SER A 49 -8.761 4.927 10.531 1.00 0.00 C ATOM 718 O SER A 49 -8.672 5.992 9.920 1.00 0.00 O ATOM 719 CB SER A 49 -7.098 4.952 12.408 1.00 0.00 C ATOM 720 OG SER A 49 -6.884 4.747 13.799 1.00 0.00 O ATOM 0 H SER A 49 -8.670 2.804 12.397 1.00 0.00 H new ATOM 0 HA SER A 49 -9.116 5.733 12.485 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.551 4.200 11.839 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.701 5.924 12.116 1.00 0.00 H new ATOM 0 HG SER A 49 -7.013 3.800 14.014 1.00 0.00 H new ATOM 726 N VAL A 50 -9.013 3.764 9.920 1.00 0.00 N ATOM 727 CA VAL A 50 -9.121 3.655 8.456 1.00 0.00 C ATOM 728 C VAL A 50 -9.874 2.380 8.022 1.00 0.00 C ATOM 729 O VAL A 50 -9.402 1.264 8.230 1.00 0.00 O ATOM 730 CB VAL A 50 -7.715 3.684 7.795 1.00 0.00 C ATOM 731 CG1 VAL A 50 -6.798 2.609 8.378 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.822 3.554 6.276 1.00 0.00 C ATOM 0 H VAL A 50 -9.147 2.882 10.415 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.697 4.517 8.118 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.266 4.651 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.824 2.659 7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.678 2.774 9.449 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.237 1.626 8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.824 3.577 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.307 2.611 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.411 4.381 5.881 1.00 0.00 H new ATOM 742 N THR A 51 -11.050 2.554 7.420 1.00 0.00 N ATOM 743 CA THR A 51 -11.872 1.419 6.964 1.00 0.00 C ATOM 744 C THR A 51 -11.637 1.106 5.480 1.00 0.00 C ATOM 745 O THR A 51 -10.953 1.854 4.777 1.00 0.00 O ATOM 746 CB THR A 51 -13.381 1.693 7.163 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.782 2.821 6.371 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.703 1.958 8.630 1.00 0.00 C ATOM 0 H THR A 51 -11.461 3.469 7.234 1.00 0.00 H new ATOM 0 HA THR A 51 -11.568 0.566 7.571 1.00 0.00 H new ATOM 0 HB THR A 51 -13.930 0.807 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.739 2.988 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.771 2.147 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.426 1.089 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.143 2.828 8.974 1.00 0.00 H new ATOM 756 N GLY A 52 -12.218 -0.002 5.012 1.00 0.00 N ATOM 757 CA GLY A 52 -12.113 -0.385 3.605 1.00 0.00 C ATOM 758 C GLY A 52 -12.498 0.733 2.633 1.00 0.00 C ATOM 759 O GLY A 52 -11.894 0.871 1.563 1.00 0.00 O ATOM 0 H GLY A 52 -12.763 -0.646 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.090 -0.698 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.753 -1.248 3.424 1.00 0.00 H new ATOM 763 N THR A 53 -13.503 1.533 3.002 1.00 0.00 N ATOM 764 CA THR A 53 -13.921 2.674 2.176 1.00 0.00 C ATOM 765 C THR A 53 -12.784 3.672 2.045 1.00 0.00 C ATOM 766 O THR A 53 -12.378 4.028 0.939 1.00 0.00 O ATOM 767 CB THR A 53 -15.130 3.437 2.767 1.00 0.00 C ATOM 768 OG1 THR A 53 -14.730 4.196 3.917 1.00 0.00 O ATOM 769 CG2 THR A 53 -16.226 2.485 3.174 1.00 0.00 C ATOM 0 H THR A 53 -14.040 1.415 3.861 1.00 0.00 H new ATOM 0 HA THR A 53 -14.204 2.253 1.211 1.00 0.00 H new ATOM 0 HB THR A 53 -15.505 4.106 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.464 3.585 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.063 3.049 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.561 1.922 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.847 1.795 3.928 1.00 0.00 H new ATOM 777 N ASP A 54 -12.264 4.103 3.192 1.00 0.00 N ATOM 778 CA ASP A 54 -11.229 5.121 3.225 1.00 0.00 C ATOM 779 C ASP A 54 -9.999 4.667 2.416 1.00 0.00 C ATOM 780 O ASP A 54 -9.369 5.463 1.712 1.00 0.00 O ATOM 781 CB ASP A 54 -10.837 5.448 4.673 1.00 0.00 C ATOM 782 CG ASP A 54 -9.899 6.644 4.767 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.394 7.792 4.829 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.668 6.451 4.772 1.00 0.00 O ATOM 0 H ASP A 54 -12.546 3.759 4.110 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.624 6.028 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.737 5.650 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.357 4.578 5.122 1.00 0.00 H new ATOM 789 N VAL A 55 -9.685 3.376 2.520 1.00 0.00 N ATOM 790 CA VAL A 55 -8.615 2.755 1.730 1.00 0.00 C ATOM 791 C VAL A 55 -8.862 2.913 0.218 1.00 0.00 C ATOM 792 O VAL A 55 -7.930 3.151 -0.557 1.00 0.00 O ATOM 793 CB VAL A 55 -8.484 1.247 2.071 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.456 0.565 1.173 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.123 1.054 3.543 1.00 0.00 C ATOM 0 H VAL A 55 -10.161 2.731 3.151 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.689 3.269 1.987 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.452 0.780 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.387 -0.491 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.763 0.660 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.483 1.038 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.036 -0.011 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.173 1.545 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.902 1.489 4.169 1.00 0.00 H new ATOM 805 N ASP A 56 -10.124 2.784 -0.197 1.00 0.00 N ATOM 806 CA ASP A 56 -10.489 2.945 -1.605 1.00 0.00 C ATOM 807 C ASP A 56 -10.363 4.415 -2.023 1.00 0.00 C ATOM 808 O ASP A 56 -9.965 4.730 -3.149 1.00 0.00 O ATOM 809 CB ASP A 56 -11.917 2.445 -1.835 1.00 0.00 C ATOM 810 CG ASP A 56 -12.355 2.592 -3.281 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.009 1.719 -4.105 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.046 3.582 -3.603 1.00 0.00 O ATOM 0 H ASP A 56 -10.907 2.569 0.420 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.807 2.354 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.984 1.397 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.601 2.999 -1.193 1.00 0.00 H new ATOM 817 N ILE A 57 -10.702 5.308 -1.098 1.00 0.00 N ATOM 818 CA ILE A 57 -10.568 6.746 -1.325 1.00 0.00 C ATOM 819 C ILE A 57 -9.098 7.119 -1.573 1.00 0.00 C ATOM 820 O ILE A 57 -8.781 7.834 -2.521 1.00 0.00 O ATOM 821 CB ILE A 57 -11.115 7.566 -0.128 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.503 7.042 0.286 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.176 9.054 -0.479 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.225 7.914 1.297 1.00 0.00 C ATOM 0 H ILE A 57 -11.073 5.061 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.158 6.991 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.437 7.447 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.124 6.949 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.391 6.041 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.562 9.613 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.176 9.411 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.833 9.199 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.193 7.472 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.628 7.987 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.373 8.910 0.879 1.00 0.00 H new ATOM 836 N VAL A 58 -8.198 6.596 -0.731 1.00 0.00 N ATOM 837 CA VAL A 58 -6.756 6.837 -0.890 1.00 0.00 C ATOM 838 C VAL A 58 -6.260 6.299 -2.243 1.00 0.00 C ATOM 839 O VAL A 58 -5.526 6.976 -2.967 1.00 0.00 O ATOM 840 CB VAL A 58 -5.937 6.184 0.256 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.440 6.419 0.060 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.388 6.717 1.613 1.00 0.00 C ATOM 0 H VAL A 58 -8.440 6.005 0.065 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.605 7.916 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.119 5.110 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.888 5.952 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.124 5.983 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.238 7.490 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.801 6.246 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.242 7.797 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.444 6.489 1.761 1.00 0.00 H new ATOM 852 N PHE A 59 -6.688 5.084 -2.583 1.00 0.00 N ATOM 853 CA PHE A 59 -6.371 4.477 -3.883 1.00 0.00 C ATOM 854 C PHE A 59 -6.901 5.345 -5.037 1.00 0.00 C ATOM 855 O PHE A 59 -6.322 5.382 -6.120 1.00 0.00 O ATOM 856 CB PHE A 59 -6.968 3.061 -3.961 1.00 0.00 C ATOM 857 CG PHE A 59 -6.614 2.307 -5.223 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.392 1.657 -5.340 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.503 2.243 -6.289 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.066 0.963 -6.492 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.181 1.550 -7.440 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.961 0.910 -7.541 1.00 0.00 C ATOM 0 H PHE A 59 -7.258 4.495 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.287 4.412 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.626 2.487 -3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.053 3.132 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.688 1.694 -4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.458 2.742 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.112 0.463 -6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.883 1.509 -8.260 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.708 0.368 -8.440 1.00 0.00 H new ATOM 872 N SER A 60 -8.008 6.046 -4.790 1.00 0.00 N ATOM 873 CA SER A 60 -8.599 6.954 -5.785 1.00 0.00 C ATOM 874 C SER A 60 -7.904 8.329 -5.786 1.00 0.00 C ATOM 875 O SER A 60 -7.917 9.032 -6.795 1.00 0.00 O ATOM 876 CB SER A 60 -10.106 7.125 -5.531 1.00 0.00 C ATOM 877 OG SER A 60 -10.800 5.890 -5.684 1.00 0.00 O ATOM 0 H SER A 60 -8.518 6.005 -3.908 1.00 0.00 H new ATOM 0 HA SER A 60 -8.451 6.503 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.266 7.512 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.513 7.861 -6.224 1.00 0.00 H new ATOM 0 HG SER A 60 -10.640 5.326 -4.899 1.00 0.00 H new ATOM 883 N LYS A 61 -7.299 8.707 -4.659 1.00 0.00 N ATOM 884 CA LYS A 61 -6.558 9.977 -4.562 1.00 0.00 C ATOM 885 C LYS A 61 -5.306 9.964 -5.455 1.00 0.00 C ATOM 886 O LYS A 61 -5.127 10.834 -6.309 1.00 0.00 O ATOM 887 CB LYS A 61 -6.137 10.244 -3.108 1.00 0.00 C ATOM 888 CG LYS A 61 -7.297 10.474 -2.143 1.00 0.00 C ATOM 889 CD LYS A 61 -6.792 10.730 -0.724 1.00 0.00 C ATOM 890 CE LYS A 61 -7.916 10.731 0.304 1.00 0.00 C ATOM 891 NZ LYS A 61 -7.400 10.946 1.685 1.00 0.00 N ATOM 0 H LYS A 61 -7.304 8.157 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.224 10.770 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.548 9.398 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.485 11.117 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.891 11.324 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.955 9.605 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.062 9.966 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.275 11.689 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.634 11.514 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.451 9.782 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.199 11.008 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.787 10.150 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.853 11.830 1.718 1.00 0.00 H new ATOM 905 N VAL A 62 -4.453 8.962 -5.252 1.00 0.00 N ATOM 906 CA VAL A 62 -3.188 8.843 -5.994 1.00 0.00 C ATOM 907 C VAL A 62 -3.379 8.163 -7.368 1.00 0.00 C ATOM 908 O VAL A 62 -2.411 7.881 -8.082 1.00 0.00 O ATOM 909 CB VAL A 62 -2.139 8.056 -5.169 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.880 8.745 -3.828 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.581 6.606 -4.962 1.00 0.00 C ATOM 0 H VAL A 62 -4.611 8.214 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.830 9.858 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.205 8.044 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.141 8.177 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.506 9.754 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.809 8.796 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.827 6.075 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.531 6.588 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.700 6.120 -5.930 1.00 0.00 H new ATOM 921 N LYS A 63 -4.635 7.926 -7.734 1.00 0.00 N ATOM 922 CA LYS A 63 -4.983 7.270 -9.000 1.00 0.00 C ATOM 923 C LYS A 63 -4.881 8.239 -10.192 1.00 0.00 C ATOM 924 O LYS A 63 -5.200 9.422 -10.072 1.00 0.00 O ATOM 925 CB LYS A 63 -6.410 6.718 -8.895 1.00 0.00 C ATOM 926 CG LYS A 63 -6.900 5.966 -10.128 1.00 0.00 C ATOM 927 CD LYS A 63 -8.363 5.549 -9.981 1.00 0.00 C ATOM 928 CE LYS A 63 -8.584 4.642 -8.772 1.00 0.00 C ATOM 929 NZ LYS A 63 -10.024 4.316 -8.579 1.00 0.00 N ATOM 0 H LYS A 63 -5.443 8.181 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.275 6.461 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.463 6.050 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.091 7.546 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.787 6.597 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.282 5.082 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.985 6.439 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.685 5.032 -10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.017 3.720 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.199 5.130 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.369 4.769 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.571 4.666 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.139 3.285 -8.502 1.00 0.00 H new ATOM 943 N GLY A 64 -4.440 7.728 -11.341 1.00 0.00 N ATOM 944 CA GLY A 64 -4.363 8.548 -12.551 1.00 0.00 C ATOM 945 C GLY A 64 -5.733 8.850 -13.163 1.00 0.00 C ATOM 946 O GLY A 64 -6.760 8.374 -12.666 1.00 0.00 O ATOM 0 H GLY A 64 -4.134 6.762 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.863 9.487 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.747 8.036 -13.290 1.00 0.00 H new ATOM 950 N LYS A 65 -5.745 9.631 -14.250 1.00 0.00 N ATOM 951 CA LYS A 65 -6.994 10.040 -14.918 1.00 0.00 C ATOM 952 C LYS A 65 -7.910 8.840 -15.222 1.00 0.00 C ATOM 953 O LYS A 65 -7.692 8.111 -16.191 1.00 0.00 O ATOM 954 CB LYS A 65 -6.681 10.793 -16.222 1.00 0.00 C ATOM 955 CG LYS A 65 -7.931 11.252 -16.979 1.00 0.00 C ATOM 956 CD LYS A 65 -7.595 11.935 -18.305 1.00 0.00 C ATOM 957 CE LYS A 65 -6.768 13.196 -18.107 1.00 0.00 C ATOM 958 NZ LYS A 65 -6.560 13.922 -19.385 1.00 0.00 N ATOM 0 H LYS A 65 -4.900 9.996 -14.690 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.524 10.699 -14.230 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.066 11.663 -15.991 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.089 10.148 -16.871 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.573 10.392 -17.170 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.499 11.941 -16.353 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.048 11.240 -18.942 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.518 12.186 -18.827 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.268 13.851 -17.394 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.802 12.934 -17.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.992 14.776 -19.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.061 13.305 -20.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.481 14.194 -19.784 1.00 0.00 H new ATOM 972 N SER A 66 -8.926 8.644 -14.374 1.00 0.00 N ATOM 973 CA SER A 66 -9.905 7.543 -14.517 1.00 0.00 C ATOM 974 C SER A 66 -9.224 6.170 -14.665 1.00 0.00 C ATOM 975 O SER A 66 -9.820 5.220 -15.186 1.00 0.00 O ATOM 976 CB SER A 66 -10.859 7.792 -15.707 1.00 0.00 C ATOM 977 OG SER A 66 -10.216 7.617 -16.964 1.00 0.00 O ATOM 0 H SER A 66 -9.099 9.241 -13.566 1.00 0.00 H new ATOM 0 HA SER A 66 -10.487 7.527 -13.596 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.707 7.111 -15.638 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.258 8.805 -15.644 1.00 0.00 H new ATOM 0 HG SER A 66 -9.250 7.528 -16.828 1.00 0.00 H new ATOM 983 N ALA A 67 -7.990 6.058 -14.171 1.00 0.00 N ATOM 984 CA ALA A 67 -7.206 4.819 -14.289 1.00 0.00 C ATOM 985 C ALA A 67 -7.767 3.692 -13.405 1.00 0.00 C ATOM 986 O ALA A 67 -8.718 3.893 -12.651 1.00 0.00 O ATOM 987 CB ALA A 67 -5.748 5.092 -13.931 1.00 0.00 C ATOM 0 H ALA A 67 -7.507 6.812 -13.683 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.273 4.483 -15.324 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.173 4.170 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.341 5.841 -14.610 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.688 5.460 -12.907 1.00 0.00 H new ATOM 993 N ARG A 68 -7.172 2.504 -13.500 1.00 0.00 N ATOM 994 CA ARG A 68 -7.610 1.352 -12.697 1.00 0.00 C ATOM 995 C ARG A 68 -6.518 0.873 -11.725 1.00 0.00 C ATOM 996 O ARG A 68 -6.774 0.031 -10.864 1.00 0.00 O ATOM 997 CB ARG A 68 -8.034 0.196 -13.617 1.00 0.00 C ATOM 998 CG ARG A 68 -6.947 -0.237 -14.599 1.00 0.00 C ATOM 999 CD ARG A 68 -7.362 -1.458 -15.414 1.00 0.00 C ATOM 1000 NE ARG A 68 -6.348 -1.819 -16.403 1.00 0.00 N ATOM 1001 CZ ARG A 68 -5.947 -3.042 -16.643 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -6.427 -4.044 -15.976 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -5.057 -3.254 -17.554 1.00 0.00 N ATOM 0 H ARG A 68 -6.387 2.309 -14.122 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.462 1.678 -12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.319 -0.659 -13.004 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.920 0.495 -14.178 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.719 0.588 -15.274 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.032 -0.462 -14.050 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.534 -2.301 -14.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.306 -1.255 -15.919 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.923 -1.066 -16.944 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.128 -3.886 -15.252 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.104 -4.991 -16.175 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.671 -2.471 -18.082 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.740 -4.204 -17.746 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.301 1.404 -11.866 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.169 0.993 -11.019 1.00 0.00 C ATOM 1019 C VAL A 69 -3.339 2.199 -10.540 1.00 0.00 C ATOM 1020 O VAL A 69 -3.559 3.334 -10.969 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.229 0.009 -11.768 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.972 -1.258 -12.190 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.591 0.689 -12.976 1.00 0.00 C ATOM 0 H VAL A 69 -5.070 2.119 -12.556 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.604 0.495 -10.152 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.437 -0.285 -11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.286 -1.925 -12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.366 -1.760 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.795 -0.993 -12.854 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.936 -0.017 -13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.371 1.021 -13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.009 1.549 -12.644 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.390 1.940 -9.637 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.452 2.968 -9.162 1.00 0.00 C ATOM 1035 C ILE A 70 0.006 2.487 -9.284 1.00 0.00 C ATOM 1036 O ILE A 70 0.293 1.302 -9.107 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.733 3.369 -7.688 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.585 2.149 -6.753 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.126 3.991 -7.555 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.768 2.472 -5.284 1.00 0.00 C ATOM 0 H ILE A 70 -2.248 1.022 -9.216 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.600 3.842 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.997 4.116 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.315 1.392 -7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.597 1.711 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.304 4.265 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.188 4.881 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.878 3.270 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.649 1.563 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.022 3.205 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.765 2.881 -5.123 1.00 0.00 H new ATOM 1052 N ASN A 71 0.926 3.406 -9.582 1.00 0.00 N ATOM 1053 CA ASN A 71 2.349 3.057 -9.726 1.00 0.00 C ATOM 1054 C ASN A 71 3.047 2.928 -8.356 1.00 0.00 C ATOM 1055 O ASN A 71 2.575 3.472 -7.354 1.00 0.00 O ATOM 1056 CB ASN A 71 3.055 4.101 -10.605 1.00 0.00 C ATOM 1057 CG ASN A 71 2.936 5.508 -10.053 1.00 0.00 C ATOM 1058 OD1 ASN A 71 1.916 6.166 -10.226 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.982 5.991 -9.416 1.00 0.00 N ATOM 0 H ASN A 71 0.718 4.394 -9.729 1.00 0.00 H new ATOM 0 HA ASN A 71 2.413 2.082 -10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.109 3.839 -10.697 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.631 4.072 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.960 6.942 -9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.814 5.414 -9.291 1.00 0.00 H new ATOM 1066 N TYR A 72 4.178 2.210 -8.328 1.00 0.00 N ATOM 1067 CA TYR A 72 4.902 1.913 -7.075 1.00 0.00 C ATOM 1068 C TYR A 72 5.118 3.157 -6.190 1.00 0.00 C ATOM 1069 O TYR A 72 4.875 3.116 -4.983 1.00 0.00 O ATOM 1070 CB TYR A 72 6.254 1.241 -7.387 1.00 0.00 C ATOM 1071 CG TYR A 72 7.239 1.268 -6.228 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.051 0.476 -5.098 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.348 2.107 -6.255 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.935 0.530 -4.033 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.237 2.157 -5.205 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.028 1.373 -4.096 1.00 0.00 C ATOM 1077 OH TYR A 72 9.902 1.453 -3.036 1.00 0.00 O ATOM 0 H TYR A 72 4.617 1.820 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 72 4.272 1.229 -6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.076 0.205 -7.675 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.705 1.737 -8.246 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.203 -0.191 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.515 2.733 -7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.771 -0.083 -3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.096 2.810 -5.253 1.00 0.00 H new ATOM 0 HH TYR A 72 10.323 0.580 -2.893 1.00 0.00 H new ATOM 1087 N GLU A 73 5.569 4.256 -6.782 1.00 0.00 N ATOM 1088 CA GLU A 73 5.846 5.481 -6.018 1.00 0.00 C ATOM 1089 C GLU A 73 4.577 6.010 -5.324 1.00 0.00 C ATOM 1090 O GLU A 73 4.612 6.388 -4.151 1.00 0.00 O ATOM 1091 CB GLU A 73 6.429 6.574 -6.932 1.00 0.00 C ATOM 1092 CG GLU A 73 7.783 6.235 -7.562 1.00 0.00 C ATOM 1093 CD GLU A 73 7.718 5.091 -8.565 1.00 0.00 C ATOM 1094 OE1 GLU A 73 6.743 5.029 -9.348 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.636 4.246 -8.576 1.00 0.00 O ATOM 0 H GLU A 73 5.752 4.331 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 73 6.578 5.227 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.715 6.779 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.534 7.492 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.175 7.122 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.487 5.975 -6.772 1.00 0.00 H new ATOM 1102 N GLU A 74 3.455 6.022 -6.043 1.00 0.00 N ATOM 1103 CA GLU A 74 2.184 6.492 -5.474 1.00 0.00 C ATOM 1104 C GLU A 74 1.629 5.486 -4.458 1.00 0.00 C ATOM 1105 O GLU A 74 0.907 5.856 -3.532 1.00 0.00 O ATOM 1106 CB GLU A 74 1.161 6.765 -6.582 1.00 0.00 C ATOM 1107 CG GLU A 74 1.551 7.923 -7.497 1.00 0.00 C ATOM 1108 CD GLU A 74 1.826 9.212 -6.732 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.858 9.882 -6.316 1.00 0.00 O ATOM 1110 OE2 GLU A 74 3.015 9.568 -6.553 1.00 0.00 O ATOM 0 H GLU A 74 3.396 5.715 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 74 2.377 7.427 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.038 5.863 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.194 6.981 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.439 7.647 -8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.751 8.097 -8.217 1.00 0.00 H new ATOM 1117 N PHE A 75 1.979 4.216 -4.636 1.00 0.00 N ATOM 1118 CA PHE A 75 1.693 3.180 -3.641 1.00 0.00 C ATOM 1119 C PHE A 75 2.315 3.554 -2.286 1.00 0.00 C ATOM 1120 O PHE A 75 1.711 3.365 -1.228 1.00 0.00 O ATOM 1121 CB PHE A 75 2.243 1.836 -4.141 1.00 0.00 C ATOM 1122 CG PHE A 75 2.262 0.736 -3.109 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.096 0.075 -2.756 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.454 0.358 -2.500 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.117 -0.939 -1.818 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.478 -0.655 -1.563 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.309 -1.304 -1.222 1.00 0.00 C ATOM 0 H PHE A 75 2.465 3.875 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 75 0.615 3.095 -3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.644 1.508 -4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.258 1.989 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.161 0.356 -3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.372 0.863 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.202 -1.446 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.410 -0.939 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.326 -2.097 -0.489 1.00 0.00 H new ATOM 1137 N LYS A 76 3.525 4.110 -2.338 1.00 0.00 N ATOM 1138 CA LYS A 76 4.225 4.580 -1.136 1.00 0.00 C ATOM 1139 C LYS A 76 3.499 5.786 -0.517 1.00 0.00 C ATOM 1140 O LYS A 76 3.452 5.942 0.703 1.00 0.00 O ATOM 1141 CB LYS A 76 5.672 4.961 -1.485 1.00 0.00 C ATOM 1142 CG LYS A 76 6.341 3.969 -2.433 1.00 0.00 C ATOM 1143 CD LYS A 76 7.811 4.288 -2.684 1.00 0.00 C ATOM 1144 CE LYS A 76 8.661 3.998 -1.457 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.108 3.929 -1.779 1.00 0.00 N ATOM 0 H LYS A 76 4.046 4.248 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 76 4.233 3.771 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.681 5.951 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.256 5.027 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.258 2.965 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.808 3.966 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.174 3.699 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.915 5.337 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.494 4.774 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.344 3.054 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.661 3.951 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.308 3.047 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.371 4.741 -2.373 1.00 0.00 H new ATOM 1159 N LYS A 77 2.934 6.634 -1.375 1.00 0.00 N ATOM 1160 CA LYS A 77 2.141 7.786 -0.928 1.00 0.00 C ATOM 1161 C LYS A 77 0.844 7.319 -0.241 1.00 0.00 C ATOM 1162 O LYS A 77 0.416 7.880 0.775 1.00 0.00 O ATOM 1163 CB LYS A 77 1.819 8.690 -2.129 1.00 0.00 C ATOM 1164 CG LYS A 77 1.214 10.041 -1.757 1.00 0.00 C ATOM 1165 CD LYS A 77 2.158 10.874 -0.891 1.00 0.00 C ATOM 1166 CE LYS A 77 3.504 11.117 -1.575 1.00 0.00 C ATOM 1167 NZ LYS A 77 4.408 11.952 -0.741 1.00 0.00 N ATOM 0 H LYS A 77 3.009 6.547 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 77 2.722 8.354 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.734 8.859 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.128 8.165 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.974 10.593 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.277 9.884 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.690 11.832 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.321 10.365 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.983 10.160 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.340 11.607 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.389 11.833 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.134 12.952 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.334 11.657 0.253 1.00 0.00 H new ATOM 1181 N ALA A 78 0.232 6.276 -0.800 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.946 5.646 -0.199 1.00 0.00 C ATOM 1183 C ALA A 78 -0.614 5.083 1.193 1.00 0.00 C ATOM 1184 O ALA A 78 -1.351 5.297 2.161 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.474 4.547 -1.120 1.00 0.00 C ATOM 0 H ALA A 78 0.534 5.846 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.723 6.401 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.350 4.083 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.749 4.979 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.700 3.794 -1.269 1.00 0.00 H new ATOM 1191 N LEU A 79 0.513 4.373 1.290 1.00 0.00 N ATOM 1192 CA LEU A 79 1.008 3.878 2.581 1.00 0.00 C ATOM 1193 C LEU A 79 1.297 5.038 3.544 1.00 0.00 C ATOM 1194 O LEU A 79 1.143 4.898 4.755 1.00 0.00 O ATOM 1195 CB LEU A 79 2.279 3.031 2.396 1.00 0.00 C ATOM 1196 CG LEU A 79 2.107 1.740 1.583 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.427 0.974 1.527 1.00 0.00 C ATOM 1198 CD2 LEU A 79 0.997 0.864 2.172 1.00 0.00 C ATOM 0 H LEU A 79 1.100 4.127 0.493 1.00 0.00 H new ATOM 0 HA LEU A 79 0.226 3.252 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.036 3.647 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.666 2.769 3.381 1.00 0.00 H new ATOM 0 HG LEU A 79 1.816 2.009 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.293 0.060 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.188 1.595 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.743 0.719 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.896 -0.044 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.249 0.599 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.055 1.413 2.159 1.00 0.00 H new ATOM 1210 N GLU A 80 1.717 6.179 2.998 1.00 0.00 N ATOM 1211 CA GLU A 80 1.973 7.379 3.805 1.00 0.00 C ATOM 1212 C GLU A 80 0.722 7.780 4.606 1.00 0.00 C ATOM 1213 O GLU A 80 0.789 7.977 5.823 1.00 0.00 O ATOM 1214 CB GLU A 80 2.423 8.542 2.911 1.00 0.00 C ATOM 1215 CG GLU A 80 2.894 9.771 3.684 1.00 0.00 C ATOM 1216 CD GLU A 80 3.115 10.984 2.790 1.00 0.00 C ATOM 1217 OE1 GLU A 80 3.967 10.917 1.881 1.00 0.00 O ATOM 1218 OE2 GLU A 80 2.430 12.012 2.991 1.00 0.00 O ATOM 0 H GLU A 80 1.888 6.301 2.000 1.00 0.00 H new ATOM 0 HA GLU A 80 2.772 7.147 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.232 8.199 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.596 8.829 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.157 10.018 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.823 9.534 4.203 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.422 7.896 3.925 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.689 8.174 4.621 1.00 0.00 C ATOM 1227 C GLU A 81 -2.045 7.051 5.608 1.00 0.00 C ATOM 1228 O GLU A 81 -2.272 7.306 6.790 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.854 8.380 3.635 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.993 9.817 3.128 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.365 10.102 2.523 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -5.348 10.221 3.293 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.473 10.208 1.286 1.00 0.00 O ATOM 0 H GLU A 81 -0.501 7.804 2.912 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.539 9.100 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.716 7.716 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.784 8.085 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.814 10.507 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.224 10.009 2.380 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.078 5.810 5.121 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.436 4.654 5.961 1.00 0.00 C ATOM 1242 C LEU A 82 -1.564 4.568 7.227 1.00 0.00 C ATOM 1243 O LEU A 82 -2.052 4.229 8.302 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.318 3.350 5.160 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.229 3.249 3.925 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.059 1.899 3.238 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.691 3.481 4.301 1.00 0.00 C ATOM 0 H LEU A 82 -1.863 5.574 4.152 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.470 4.795 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.283 3.234 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.540 2.514 5.824 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.933 4.030 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.713 1.849 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.023 1.780 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.320 1.101 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.313 3.404 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.003 2.731 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.802 4.474 4.736 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.282 4.886 7.091 1.00 0.00 N ATOM 1260 CA ALA A 83 0.647 4.889 8.227 1.00 0.00 C ATOM 1261 C ALA A 83 0.314 6.007 9.228 1.00 0.00 C ATOM 1262 O ALA A 83 0.163 5.760 10.425 1.00 0.00 O ATOM 1263 CB ALA A 83 2.078 5.043 7.731 1.00 0.00 C ATOM 0 H ALA A 83 0.145 5.147 6.202 1.00 0.00 H new ATOM 0 HA ALA A 83 0.543 3.935 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.760 5.044 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.325 4.213 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.175 5.982 7.187 1.00 0.00 H new ATOM 1269 N THR A 84 0.194 7.235 8.724 1.00 0.00 N ATOM 1270 CA THR A 84 -0.112 8.401 9.571 1.00 0.00 C ATOM 1271 C THR A 84 -1.523 8.326 10.174 1.00 0.00 C ATOM 1272 O THR A 84 -1.847 9.055 11.110 1.00 0.00 O ATOM 1273 CB THR A 84 0.027 9.728 8.784 1.00 0.00 C ATOM 1274 OG1 THR A 84 -0.838 9.717 7.635 1.00 0.00 O ATOM 1275 CG2 THR A 84 1.469 9.953 8.335 1.00 0.00 C ATOM 0 H THR A 84 0.303 7.454 7.734 1.00 0.00 H new ATOM 0 HA THR A 84 0.617 8.382 10.381 1.00 0.00 H new ATOM 0 HB THR A 84 -0.261 10.543 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.256 8.835 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.537 10.892 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.119 9.997 9.209 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.782 9.132 7.690 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.372 7.460 9.626 1.00 0.00 N ATOM 1284 CA LYS A 85 -3.697 7.213 10.209 1.00 0.00 C ATOM 1285 C LYS A 85 -3.646 6.061 11.226 1.00 0.00 C ATOM 1286 O LYS A 85 -4.126 6.195 12.352 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.727 6.906 9.110 1.00 0.00 C ATOM 1288 CG LYS A 85 -4.956 8.069 8.147 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.048 7.764 7.120 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.228 8.913 6.133 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.398 8.707 5.233 1.00 0.00 N ATOM 0 H LYS A 85 -2.172 6.919 8.785 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.005 8.119 10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.394 6.036 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.675 6.639 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.231 8.959 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.025 8.297 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.793 6.854 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.990 7.575 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.355 9.845 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.324 9.018 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.177 9.078 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.610 7.691 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.224 9.208 5.617 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.043 4.941 10.821 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.924 3.752 11.676 1.00 0.00 C ATOM 1307 C ARG A 86 -2.148 4.083 12.962 1.00 0.00 C ATOM 1308 O ARG A 86 -2.605 3.797 14.071 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.208 2.632 10.892 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.495 1.202 11.364 1.00 0.00 C ATOM 1311 CD ARG A 86 -1.945 0.912 12.759 1.00 0.00 C ATOM 1312 NE ARG A 86 -2.062 -0.502 13.112 1.00 0.00 N ATOM 1313 CZ ARG A 86 -2.061 -0.961 14.333 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -1.981 -0.164 15.351 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -2.150 -2.232 14.534 1.00 0.00 N ATOM 0 H ARG A 86 -2.625 4.830 9.897 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.921 3.416 11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.489 2.712 9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.133 2.805 10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.572 1.034 11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.061 0.497 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.898 1.212 12.805 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.481 1.514 13.492 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.150 -1.176 12.351 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.917 0.844 15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.982 -0.544 16.298 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.220 -2.870 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.150 -2.599 15.486 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.976 4.693 12.799 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.104 5.030 13.936 1.00 0.00 C ATOM 1331 C PHE A 87 -0.335 6.466 14.430 1.00 0.00 C ATOM 1332 O PHE A 87 0.532 7.068 15.074 1.00 0.00 O ATOM 1333 CB PHE A 87 1.367 4.827 13.543 1.00 0.00 C ATOM 1334 CG PHE A 87 1.662 3.429 13.044 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.885 2.387 13.936 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.708 3.155 11.681 1.00 0.00 C ATOM 1337 CE1 PHE A 87 2.148 1.107 13.481 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.970 1.878 11.224 1.00 0.00 C ATOM 1339 CZ PHE A 87 2.190 0.854 12.124 1.00 0.00 C ATOM 0 H PHE A 87 -0.602 4.967 11.890 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.354 4.361 14.760 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.632 5.546 12.768 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.000 5.039 14.405 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.853 2.579 14.998 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.537 3.951 10.971 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.320 0.307 14.186 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.003 1.680 10.163 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.395 -0.144 11.767 1.00 0.00 H new ATOM 1349 N LYS A 88 -1.531 6.979 14.155 1.00 0.00 N ATOM 1350 CA LYS A 88 -1.954 8.326 14.580 1.00 0.00 C ATOM 1351 C LYS A 88 -1.045 9.444 14.027 1.00 0.00 C ATOM 1352 O LYS A 88 -0.081 9.184 13.303 1.00 0.00 O ATOM 1353 CB LYS A 88 -2.032 8.397 16.115 1.00 0.00 C ATOM 1354 CG LYS A 88 -2.865 7.271 16.723 1.00 0.00 C ATOM 1355 CD LYS A 88 -3.050 7.430 18.228 1.00 0.00 C ATOM 1356 CE LYS A 88 -3.745 6.216 18.844 1.00 0.00 C ATOM 1357 NZ LYS A 88 -5.017 5.883 18.146 1.00 0.00 N ATOM 0 H LYS A 88 -2.244 6.475 13.628 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.944 8.498 14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.023 8.358 16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.459 9.356 16.408 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.842 7.245 16.241 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.383 6.315 16.518 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.078 7.572 18.701 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.637 8.326 18.430 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.075 5.357 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.950 6.412 19.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.545 5.180 18.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.591 6.744 18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.805 5.492 17.206 1.00 0.00 H new ATOM 1371 N GLY A 89 -1.362 10.695 14.372 1.00 0.00 N ATOM 1372 CA GLY A 89 -0.625 11.842 13.837 1.00 0.00 C ATOM 1373 C GLY A 89 0.736 12.070 14.495 1.00 0.00 C ATOM 1374 O GLY A 89 0.993 13.134 15.059 1.00 0.00 O ATOM 0 H GLY A 89 -2.117 10.938 15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.480 11.700 12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.231 12.739 13.960 1.00 0.00 H new ATOM 1378 N LYS A 90 1.606 11.068 14.425 1.00 0.00 N ATOM 1379 CA LYS A 90 2.978 11.175 14.944 1.00 0.00 C ATOM 1380 C LYS A 90 3.968 11.490 13.803 1.00 0.00 C ATOM 1381 O LYS A 90 3.563 11.965 12.740 1.00 0.00 O ATOM 1382 CB LYS A 90 3.368 9.869 15.671 1.00 0.00 C ATOM 1383 CG LYS A 90 2.868 9.782 17.118 1.00 0.00 C ATOM 1384 CD LYS A 90 1.343 9.834 17.219 1.00 0.00 C ATOM 1385 CE LYS A 90 0.870 9.890 18.667 1.00 0.00 C ATOM 1386 NZ LYS A 90 1.308 11.139 19.350 1.00 0.00 N ATOM 0 H LYS A 90 1.389 10.162 14.011 1.00 0.00 H new ATOM 0 HA LYS A 90 3.023 11.996 15.659 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.973 9.022 15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.454 9.775 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.226 8.856 17.567 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.295 10.602 17.696 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.973 10.708 16.682 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.917 8.957 16.732 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.218 9.824 18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.257 9.026 19.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.755 11.271 20.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.318 11.069 19.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.157 11.951 18.718 1.00 0.00 H new ATOM 1400 N SER A 91 5.264 11.261 14.032 1.00 0.00 N ATOM 1401 CA SER A 91 6.280 11.464 12.986 1.00 0.00 C ATOM 1402 C SER A 91 5.963 10.642 11.731 1.00 0.00 C ATOM 1403 O SER A 91 5.874 9.416 11.790 1.00 0.00 O ATOM 1404 CB SER A 91 7.674 11.080 13.497 1.00 0.00 C ATOM 1405 OG SER A 91 8.628 11.095 12.444 1.00 0.00 O ATOM 0 H SER A 91 5.636 10.937 14.925 1.00 0.00 H new ATOM 0 HA SER A 91 6.266 12.523 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.981 11.773 14.280 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.639 10.087 13.946 1.00 0.00 H new ATOM 0 HG SER A 91 9.508 10.848 12.797 1.00 0.00 H new ATOM 1411 N LYS A 92 5.794 11.326 10.599 1.00 0.00 N ATOM 1412 CA LYS A 92 5.505 10.663 9.323 1.00 0.00 C ATOM 1413 C LYS A 92 6.598 9.647 8.960 1.00 0.00 C ATOM 1414 O LYS A 92 6.305 8.524 8.544 1.00 0.00 O ATOM 1415 CB LYS A 92 5.359 11.705 8.201 1.00 0.00 C ATOM 1416 CG LYS A 92 5.074 11.093 6.833 1.00 0.00 C ATOM 1417 CD LYS A 92 4.856 12.154 5.758 1.00 0.00 C ATOM 1418 CE LYS A 92 3.627 13.016 6.047 1.00 0.00 C ATOM 1419 NZ LYS A 92 3.307 13.929 4.918 1.00 0.00 N ATOM 0 H LYS A 92 5.852 12.343 10.538 1.00 0.00 H new ATOM 0 HA LYS A 92 4.565 10.122 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.553 12.392 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.274 12.295 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.907 10.452 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.190 10.458 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.738 12.791 5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.740 11.670 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.771 12.371 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.800 13.603 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.567 14.598 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.161 14.456 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.969 13.373 4.107 1.00 0.00 H new ATOM 1433 N GLU A 93 7.857 10.046 9.129 1.00 0.00 N ATOM 1434 CA GLU A 93 8.993 9.155 8.872 1.00 0.00 C ATOM 1435 C GLU A 93 8.917 7.900 9.755 1.00 0.00 C ATOM 1436 O GLU A 93 9.022 6.774 9.263 1.00 0.00 O ATOM 1437 CB GLU A 93 10.322 9.891 9.112 1.00 0.00 C ATOM 1438 CG GLU A 93 10.676 10.933 8.045 1.00 0.00 C ATOM 1439 CD GLU A 93 9.623 12.022 7.883 1.00 0.00 C ATOM 1440 OE1 GLU A 93 9.261 12.663 8.892 1.00 0.00 O ATOM 1441 OE2 GLU A 93 9.164 12.258 6.745 1.00 0.00 O ATOM 0 H GLU A 93 8.119 10.980 9.443 1.00 0.00 H new ATOM 0 HA GLU A 93 8.947 8.845 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.279 10.385 10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.125 9.156 9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.629 11.396 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.815 10.429 7.089 1.00 0.00 H new ATOM 1448 N GLU A 94 8.719 8.105 11.057 1.00 0.00 N ATOM 1449 CA GLU A 94 8.582 6.998 12.015 1.00 0.00 C ATOM 1450 C GLU A 94 7.415 6.067 11.644 1.00 0.00 C ATOM 1451 O GLU A 94 7.558 4.840 11.640 1.00 0.00 O ATOM 1452 CB GLU A 94 8.375 7.553 13.432 1.00 0.00 C ATOM 1453 CG GLU A 94 8.118 6.484 14.490 1.00 0.00 C ATOM 1454 CD GLU A 94 7.906 7.074 15.878 1.00 0.00 C ATOM 1455 OE1 GLU A 94 8.904 7.286 16.603 1.00 0.00 O ATOM 1456 OE2 GLU A 94 6.741 7.337 16.249 1.00 0.00 O ATOM 0 H GLU A 94 8.649 9.031 11.478 1.00 0.00 H new ATOM 0 HA GLU A 94 9.501 6.413 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.256 8.127 13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.534 8.246 13.420 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.240 5.903 14.208 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.962 5.794 14.517 1.00 0.00 H new ATOM 1463 N ALA A 95 6.261 6.658 11.337 1.00 0.00 N ATOM 1464 CA ALA A 95 5.075 5.893 10.940 1.00 0.00 C ATOM 1465 C ALA A 95 5.320 5.111 9.641 1.00 0.00 C ATOM 1466 O ALA A 95 4.842 3.987 9.479 1.00 0.00 O ATOM 1467 CB ALA A 95 3.876 6.824 10.782 1.00 0.00 C ATOM 0 H ALA A 95 6.120 7.668 11.355 1.00 0.00 H new ATOM 0 HA ALA A 95 4.863 5.170 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.001 6.244 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.677 7.325 11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.092 7.569 10.016 1.00 0.00 H new ATOM 1473 N PHE A 96 6.074 5.715 8.722 1.00 0.00 N ATOM 1474 CA PHE A 96 6.419 5.067 7.453 1.00 0.00 C ATOM 1475 C PHE A 96 7.320 3.843 7.691 1.00 0.00 C ATOM 1476 O PHE A 96 7.127 2.791 7.082 1.00 0.00 O ATOM 1477 CB PHE A 96 7.109 6.068 6.512 1.00 0.00 C ATOM 1478 CG PHE A 96 7.292 5.557 5.102 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.261 5.664 4.174 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.485 4.970 4.704 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.421 5.196 2.884 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.648 4.502 3.414 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.616 4.614 2.504 1.00 0.00 C ATOM 0 H PHE A 96 6.459 6.653 8.832 1.00 0.00 H new ATOM 0 HA PHE A 96 5.498 4.724 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.523 6.987 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.085 6.326 6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.325 6.118 4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.296 4.878 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.613 5.285 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.582 4.049 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.742 4.247 1.496 1.00 0.00 H new ATOM 1493 N ASP A 97 8.303 3.982 8.584 1.00 0.00 N ATOM 1494 CA ASP A 97 9.155 2.851 8.966 1.00 0.00 C ATOM 1495 C ASP A 97 8.313 1.728 9.597 1.00 0.00 C ATOM 1496 O ASP A 97 8.498 0.546 9.298 1.00 0.00 O ATOM 1497 CB ASP A 97 10.244 3.303 9.951 1.00 0.00 C ATOM 1498 CG ASP A 97 11.150 4.384 9.381 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.549 4.280 8.203 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.492 5.331 10.121 1.00 0.00 O ATOM 0 H ASP A 97 8.528 4.859 9.053 1.00 0.00 H new ATOM 0 HA ASP A 97 9.633 2.468 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.772 3.675 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.849 2.442 10.235 1.00 0.00 H new ATOM 1505 N ALA A 98 7.374 2.115 10.465 1.00 0.00 N ATOM 1506 CA ALA A 98 6.481 1.160 11.135 1.00 0.00 C ATOM 1507 C ALA A 98 5.606 0.373 10.139 1.00 0.00 C ATOM 1508 O ALA A 98 5.522 -0.860 10.205 1.00 0.00 O ATOM 1509 CB ALA A 98 5.604 1.890 12.144 1.00 0.00 C ATOM 0 H ALA A 98 7.211 3.088 10.723 1.00 0.00 H new ATOM 0 HA ALA A 98 7.109 0.434 11.651 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.945 1.176 12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.234 2.376 12.889 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.005 2.641 11.629 1.00 0.00 H new ATOM 1515 N ILE A 99 4.951 1.075 9.214 1.00 0.00 N ATOM 1516 CA ILE A 99 4.095 0.409 8.225 1.00 0.00 C ATOM 1517 C ILE A 99 4.926 -0.501 7.302 1.00 0.00 C ATOM 1518 O ILE A 99 4.463 -1.560 6.872 1.00 0.00 O ATOM 1519 CB ILE A 99 3.275 1.434 7.391 1.00 0.00 C ATOM 1520 CG1 ILE A 99 2.159 0.728 6.601 1.00 0.00 C ATOM 1521 CG2 ILE A 99 4.178 2.229 6.449 1.00 0.00 C ATOM 1522 CD1 ILE A 99 1.192 1.680 5.923 1.00 0.00 C ATOM 0 H ILE A 99 4.993 2.090 9.127 1.00 0.00 H new ATOM 0 HA ILE A 99 3.387 -0.211 8.774 1.00 0.00 H new ATOM 0 HB ILE A 99 2.814 2.135 8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.612 0.086 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.602 0.080 7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.576 2.937 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.923 2.772 7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.680 1.546 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.435 1.108 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.710 2.305 6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.736 2.311 5.220 1.00 0.00 H new ATOM 1534 N CYS A 100 6.167 -0.096 7.018 1.00 0.00 N ATOM 1535 CA CYS A 100 7.109 -0.953 6.284 1.00 0.00 C ATOM 1536 C CYS A 100 7.475 -2.190 7.117 1.00 0.00 C ATOM 1537 O CYS A 100 7.608 -3.288 6.588 1.00 0.00 O ATOM 1538 CB CYS A 100 8.380 -0.181 5.906 1.00 0.00 C ATOM 1539 SG CYS A 100 8.111 1.159 4.722 1.00 0.00 S ATOM 0 H CYS A 100 6.544 0.814 7.282 1.00 0.00 H new ATOM 0 HA CYS A 100 6.618 -1.277 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.822 0.233 6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 100 9.105 -0.880 5.488 1.00 0.00 H new ATOM 0 HG CYS A 100 7.635 2.197 5.343 1.00 0.00 H new ATOM 1545 N GLN A 101 7.632 -1.999 8.426 1.00 0.00 N ATOM 1546 CA GLN A 101 7.868 -3.111 9.363 1.00 0.00 C ATOM 1547 C GLN A 101 6.767 -4.186 9.250 1.00 0.00 C ATOM 1548 O GLN A 101 7.022 -5.380 9.432 1.00 0.00 O ATOM 1549 CB GLN A 101 7.923 -2.566 10.803 1.00 0.00 C ATOM 1550 CG GLN A 101 8.007 -3.637 11.892 1.00 0.00 C ATOM 1551 CD GLN A 101 7.878 -3.072 13.305 1.00 0.00 C ATOM 1552 OE1 GLN A 101 8.442 -3.606 14.255 1.00 0.00 O ATOM 1553 NE2 GLN A 101 7.114 -2.008 13.468 1.00 0.00 N ATOM 0 H GLN A 101 7.601 -1.081 8.870 1.00 0.00 H new ATOM 0 HA GLN A 101 8.819 -3.578 9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.786 -1.907 10.894 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.037 -1.957 10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.220 -4.373 11.729 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.958 -4.162 11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.655 -1.581 12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.982 -1.612 14.399 1.00 0.00 H new ATOM 1562 N LEU A 102 5.540 -3.746 8.970 1.00 0.00 N ATOM 1563 CA LEU A 102 4.399 -4.666 8.810 1.00 0.00 C ATOM 1564 C LEU A 102 4.389 -5.370 7.434 1.00 0.00 C ATOM 1565 O LEU A 102 4.009 -6.538 7.332 1.00 0.00 O ATOM 1566 CB LEU A 102 3.076 -3.906 9.002 1.00 0.00 C ATOM 1567 CG LEU A 102 2.932 -3.151 10.335 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.600 -2.403 10.390 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.064 -4.110 11.519 1.00 0.00 C ATOM 0 H LEU A 102 5.305 -2.761 8.848 1.00 0.00 H new ATOM 0 HA LEU A 102 4.507 -5.436 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.966 -3.191 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.254 -4.616 8.916 1.00 0.00 H new ATOM 0 HG LEU A 102 3.737 -2.419 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.518 -1.876 11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.552 -1.685 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.779 -3.114 10.297 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.959 -3.554 12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.285 -4.870 11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.042 -4.590 11.491 1.00 0.00 H new ATOM 1581 N VAL A 103 4.793 -4.653 6.382 1.00 0.00 N ATOM 1582 CA VAL A 103 4.668 -5.156 4.996 1.00 0.00 C ATOM 1583 C VAL A 103 5.990 -5.717 4.424 1.00 0.00 C ATOM 1584 O VAL A 103 6.018 -6.820 3.874 1.00 0.00 O ATOM 1585 CB VAL A 103 4.147 -4.036 4.049 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.965 -4.558 2.621 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.838 -3.447 4.581 1.00 0.00 C ATOM 0 H VAL A 103 5.209 -3.725 6.455 1.00 0.00 H new ATOM 0 HA VAL A 103 3.954 -5.978 5.045 1.00 0.00 H new ATOM 0 HB VAL A 103 4.896 -3.244 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.600 -3.753 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.921 -4.918 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.244 -5.375 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.490 -2.666 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.085 -4.233 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.006 -3.023 5.571 1.00 0.00 H new ATOM 1597 N ALA A 104 7.073 -4.952 4.543 1.00 0.00 N ATOM 1598 CA ALA A 104 8.365 -5.320 3.944 1.00 0.00 C ATOM 1599 C ALA A 104 8.893 -6.669 4.461 1.00 0.00 C ATOM 1600 O ALA A 104 8.880 -6.936 5.662 1.00 0.00 O ATOM 1601 CB ALA A 104 9.391 -4.225 4.201 1.00 0.00 C ATOM 0 H ALA A 104 7.086 -4.067 5.051 1.00 0.00 H new ATOM 0 HA ALA A 104 8.202 -5.429 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.344 -4.507 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.045 -3.291 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.520 -4.092 5.275 1.00 0.00 H new ATOM 1607 N GLY A 105 9.363 -7.512 3.539 1.00 0.00 N ATOM 1608 CA GLY A 105 9.887 -8.825 3.908 1.00 0.00 C ATOM 1609 C GLY A 105 8.807 -9.779 4.413 1.00 0.00 C ATOM 1610 O GLY A 105 9.057 -10.610 5.294 1.00 0.00 O ATOM 0 H GLY A 105 9.391 -7.310 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.381 -9.269 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.646 -8.703 4.681 1.00 0.00 H new ATOM 1614 N LYS A 106 7.604 -9.645 3.856 1.00 0.00 N ATOM 1615 CA LYS A 106 6.460 -10.478 4.225 1.00 0.00 C ATOM 1616 C LYS A 106 5.597 -10.803 2.988 1.00 0.00 C ATOM 1617 O LYS A 106 5.293 -9.921 2.182 1.00 0.00 O ATOM 1618 CB LYS A 106 5.652 -9.740 5.304 1.00 0.00 C ATOM 1619 CG LYS A 106 4.383 -10.445 5.771 1.00 0.00 C ATOM 1620 CD LYS A 106 3.143 -9.950 5.032 1.00 0.00 C ATOM 1621 CE LYS A 106 1.870 -10.567 5.594 1.00 0.00 C ATOM 1622 NZ LYS A 106 0.658 -9.975 4.976 1.00 0.00 N ATOM 0 H LYS A 106 7.395 -8.955 3.135 1.00 0.00 H new ATOM 0 HA LYS A 106 6.804 -11.432 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.296 -9.578 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.380 -8.757 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.489 -11.519 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.254 -10.285 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.085 -8.864 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.229 -10.193 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.879 -11.643 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.839 -10.418 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.117 -9.967 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.863 -9.001 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.377 -10.542 4.150 1.00 0.00 H new ATOM 1636 N GLU A 107 5.218 -12.077 2.841 1.00 0.00 N ATOM 1637 CA GLU A 107 4.472 -12.541 1.657 1.00 0.00 C ATOM 1638 C GLU A 107 2.950 -12.353 1.786 1.00 0.00 C ATOM 1639 O GLU A 107 2.404 -12.324 2.890 1.00 0.00 O ATOM 1640 CB GLU A 107 4.772 -14.021 1.382 1.00 0.00 C ATOM 1641 CG GLU A 107 6.192 -14.283 0.912 1.00 0.00 C ATOM 1642 CD GLU A 107 6.382 -15.693 0.371 1.00 0.00 C ATOM 1643 OE1 GLU A 107 5.781 -16.016 -0.678 1.00 0.00 O ATOM 1644 OE2 GLU A 107 7.136 -16.482 0.977 1.00 0.00 O ATOM 0 H GLU A 107 5.414 -12.808 3.525 1.00 0.00 H new ATOM 0 HA GLU A 107 4.810 -11.922 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.589 -14.594 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.076 -14.389 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.452 -13.563 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.880 -14.121 1.741 1.00 0.00 H new ATOM 1651 N PRO A 108 2.243 -12.237 0.637 1.00 0.00 N ATOM 1652 CA PRO A 108 0.772 -12.132 0.604 1.00 0.00 C ATOM 1653 C PRO A 108 0.070 -13.411 1.094 1.00 0.00 C ATOM 1654 O PRO A 108 -0.279 -14.288 0.300 1.00 0.00 O ATOM 1655 CB PRO A 108 0.453 -11.869 -0.885 1.00 0.00 C ATOM 1656 CG PRO A 108 1.750 -11.448 -1.494 1.00 0.00 C ATOM 1657 CD PRO A 108 2.815 -12.172 -0.722 1.00 0.00 C ATOM 0 HA PRO A 108 0.414 -11.348 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.063 -12.765 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.304 -11.092 -0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.788 -11.708 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.882 -10.368 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.006 -13.165 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.763 -11.634 -0.737 1.00 0.00 H new ATOM 1665 N ALA A 109 -0.091 -13.519 2.411 1.00 0.00 N ATOM 1666 CA ALA A 109 -0.842 -14.623 3.037 1.00 0.00 C ATOM 1667 C ALA A 109 -0.177 -15.991 2.820 1.00 0.00 C ATOM 1668 O ALA A 109 -0.839 -17.026 2.856 1.00 0.00 O ATOM 1669 CB ALA A 109 -2.284 -14.643 2.532 1.00 0.00 C ATOM 0 H ALA A 109 0.291 -12.850 3.079 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.840 -14.437 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.824 -15.464 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.770 -13.699 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.289 -14.780 1.451 1.00 0.00 H new