USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 652 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 Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0111) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -113:sc= -3.25! (180deg=-6.42!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.228 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 MET CE :methyl 165:sc= -10.9! (180deg=-12.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0368 K(o=-0.037,f=-0.89) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 52 THR OG1 : rot 165:sc= -1.66 USER MOD Single : A 53 THR OG1 : rot -44:sc= -0.515! USER MOD Single : A 60 ASN : amide:sc=-0.000826 X(o=-0.00083,f=-0.28) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -4.01 F(o=-5!,f=-4) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0234) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.0427 (180deg=-0.755) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.048) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -8.433 -8.887 -3.301 1.00 0.00 N ATOM 91 CA LEU A 10 -7.306 -8.035 -2.961 1.00 0.00 C ATOM 92 C LEU A 10 -6.900 -7.218 -4.189 1.00 0.00 C ATOM 93 O LEU A 10 -7.071 -6.000 -4.213 1.00 0.00 O ATOM 94 CB LEU A 10 -6.165 -8.866 -2.370 1.00 0.00 C ATOM 95 CG LEU A 10 -4.800 -8.178 -2.303 1.00 0.00 C ATOM 96 CD1 LEU A 10 -4.148 -8.387 -0.935 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.895 -8.642 -3.446 1.00 0.00 C ATOM 0 HA LEU A 10 -7.587 -7.324 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.447 -9.169 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.062 -9.777 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.951 -7.106 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.179 -7.888 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.789 -7.969 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.011 -9.453 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.931 -8.138 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.746 -9.720 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.362 -8.400 -4.401 1.00 0.00 H new ATOM 109 N GLU A 11 -6.371 -7.922 -5.180 1.00 0.00 N ATOM 110 CA GLU A 11 -5.939 -7.277 -6.408 1.00 0.00 C ATOM 111 C GLU A 11 -6.922 -6.172 -6.801 1.00 0.00 C ATOM 112 O GLU A 11 -6.559 -4.998 -6.838 1.00 0.00 O ATOM 113 CB GLU A 11 -5.782 -8.298 -7.537 1.00 0.00 C ATOM 114 CG GLU A 11 -4.792 -7.800 -8.592 1.00 0.00 C ATOM 115 CD GLU A 11 -4.084 -8.972 -9.275 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.787 -9.960 -9.579 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.857 -8.852 -9.478 1.00 0.00 O ATOM 0 H GLU A 11 -6.232 -8.932 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.963 -6.823 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.436 -9.247 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.751 -8.484 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.318 -7.204 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.055 -7.147 -8.125 1.00 0.00 H new ATOM 124 N GLU A 12 -8.148 -6.588 -7.084 1.00 0.00 N ATOM 125 CA GLU A 12 -9.186 -5.648 -7.473 1.00 0.00 C ATOM 126 C GLU A 12 -9.228 -4.470 -6.498 1.00 0.00 C ATOM 127 O GLU A 12 -9.474 -3.334 -6.900 1.00 0.00 O ATOM 128 CB GLU A 12 -10.548 -6.339 -7.558 1.00 0.00 C ATOM 129 CG GLU A 12 -10.724 -7.042 -8.905 1.00 0.00 C ATOM 130 CD GLU A 12 -10.736 -8.562 -8.732 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.837 -9.095 -8.472 1.00 0.00 O ATOM 132 OE2 GLU A 12 -9.645 -9.158 -8.865 1.00 0.00 O ATOM 0 H GLU A 12 -8.446 -7.563 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.948 -5.264 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.642 -7.065 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.341 -5.604 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.655 -6.718 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.916 -6.755 -9.577 1.00 0.00 H new ATOM 139 N GLU A 13 -8.984 -4.781 -5.233 1.00 0.00 N ATOM 140 CA GLU A 13 -8.991 -3.763 -4.197 1.00 0.00 C ATOM 141 C GLU A 13 -7.731 -2.900 -4.292 1.00 0.00 C ATOM 142 O GLU A 13 -7.818 -1.679 -4.412 1.00 0.00 O ATOM 143 CB GLU A 13 -9.120 -4.394 -2.809 1.00 0.00 C ATOM 144 CG GLU A 13 -8.368 -3.571 -1.761 1.00 0.00 C ATOM 145 CD GLU A 13 -8.861 -3.899 -0.350 1.00 0.00 C ATOM 146 OE1 GLU A 13 -8.442 -4.958 0.166 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.645 -3.084 0.182 1.00 0.00 O ATOM 0 H GLU A 13 -8.780 -5.724 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.859 -3.122 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.172 -4.465 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.727 -5.410 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.299 -3.773 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.506 -2.508 -1.960 1.00 0.00 H new ATOM 154 N LEU A 14 -6.588 -3.569 -4.235 1.00 0.00 N ATOM 155 CA LEU A 14 -5.312 -2.879 -4.313 1.00 0.00 C ATOM 156 C LEU A 14 -5.339 -1.897 -5.485 1.00 0.00 C ATOM 157 O LEU A 14 -4.896 -0.757 -5.355 1.00 0.00 O ATOM 158 CB LEU A 14 -4.162 -3.886 -4.380 1.00 0.00 C ATOM 159 CG LEU A 14 -3.861 -4.648 -3.088 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.884 -5.798 -3.345 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.357 -3.701 -1.998 1.00 0.00 C ATOM 0 H LEU A 14 -6.520 -4.582 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.140 -2.293 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.386 -4.611 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.259 -3.357 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.790 -5.089 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.687 -6.323 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.319 -6.490 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.950 -5.400 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.151 -4.268 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.444 -3.211 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.117 -2.948 -1.790 1.00 0.00 H new ATOM 173 N LEU A 15 -5.865 -2.374 -6.604 1.00 0.00 N ATOM 174 CA LEU A 15 -5.956 -1.553 -7.799 1.00 0.00 C ATOM 175 C LEU A 15 -6.890 -0.371 -7.530 1.00 0.00 C ATOM 176 O LEU A 15 -6.545 0.775 -7.816 1.00 0.00 O ATOM 177 CB LEU A 15 -6.369 -2.401 -9.003 1.00 0.00 C ATOM 178 CG LEU A 15 -5.335 -3.416 -9.494 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.004 -4.737 -9.881 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.502 -2.839 -10.640 1.00 0.00 C ATOM 0 H LEU A 15 -6.233 -3.320 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.980 -1.139 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.283 -2.937 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.612 -1.731 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.650 -3.630 -8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.247 -5.441 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.517 -5.153 -9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.725 -4.560 -10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.775 -3.581 -10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.158 -2.578 -11.471 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.979 -1.946 -10.296 1.00 0.00 H new ATOM 192 N ARG A 16 -8.053 -0.690 -6.982 1.00 0.00 N ATOM 193 CA ARG A 16 -9.039 0.331 -6.671 1.00 0.00 C ATOM 194 C ARG A 16 -8.393 1.468 -5.876 1.00 0.00 C ATOM 195 O ARG A 16 -8.644 2.641 -6.149 1.00 0.00 O ATOM 196 CB ARG A 16 -10.200 -0.252 -5.863 1.00 0.00 C ATOM 197 CG ARG A 16 -11.330 -0.718 -6.784 1.00 0.00 C ATOM 198 CD ARG A 16 -12.688 -0.594 -6.090 1.00 0.00 C ATOM 199 NE ARG A 16 -13.595 0.249 -6.900 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.570 1.589 -6.906 1.00 0.00 C ATOM 201 NH1 ARG A 16 -12.684 2.246 -6.145 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.431 2.272 -7.672 1.00 0.00 N ATOM 0 H ARG A 16 -8.335 -1.641 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.426 0.717 -7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.846 -1.090 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.578 0.499 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.328 -0.123 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.161 -1.754 -7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.125 -1.582 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.561 -0.158 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.282 -0.219 -7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.029 1.726 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.665 3.266 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.106 1.772 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.412 3.292 -7.676 1.00 0.00 H new ATOM 216 N ILE A 17 -7.575 1.080 -4.909 1.00 0.00 N ATOM 217 CA ILE A 17 -6.891 2.052 -4.073 1.00 0.00 C ATOM 218 C ILE A 17 -5.967 2.907 -4.943 1.00 0.00 C ATOM 219 O ILE A 17 -6.170 4.113 -5.072 1.00 0.00 O ATOM 220 CB ILE A 17 -6.174 1.354 -2.916 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.158 0.990 -1.801 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.011 2.202 -2.400 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.806 -0.363 -1.180 1.00 0.00 C ATOM 0 H ILE A 17 -7.370 0.106 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.610 2.728 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.751 0.421 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.143 1.762 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.171 0.958 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.519 1.683 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.295 2.367 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.389 3.162 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.520 -0.598 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.845 -1.137 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.801 -0.320 -0.759 1.00 0.00 H new ATOM 235 N ALA A 18 -4.971 2.248 -5.517 1.00 0.00 N ATOM 236 CA ALA A 18 -4.015 2.932 -6.371 1.00 0.00 C ATOM 237 C ALA A 18 -4.754 3.948 -7.244 1.00 0.00 C ATOM 238 O ALA A 18 -4.503 5.149 -7.152 1.00 0.00 O ATOM 239 CB ALA A 18 -3.243 1.903 -7.200 1.00 0.00 C ATOM 0 H ALA A 18 -4.805 1.248 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.288 3.479 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.526 2.416 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.713 1.223 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.940 1.336 -7.817 1.00 0.00 H new ATOM 245 N LYS A 19 -5.649 3.429 -8.072 1.00 0.00 N ATOM 246 CA LYS A 19 -6.425 4.276 -8.961 1.00 0.00 C ATOM 247 C LYS A 19 -6.899 5.513 -8.195 1.00 0.00 C ATOM 248 O LYS A 19 -6.763 6.636 -8.678 1.00 0.00 O ATOM 249 CB LYS A 19 -7.561 3.479 -9.604 1.00 0.00 C ATOM 250 CG LYS A 19 -7.115 2.861 -10.931 1.00 0.00 C ATOM 251 CD LYS A 19 -8.214 2.979 -11.989 1.00 0.00 C ATOM 252 CE LYS A 19 -9.106 1.735 -11.993 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.394 1.309 -13.380 1.00 0.00 N ATOM 0 H LYS A 19 -5.854 2.432 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.807 4.629 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.888 2.692 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.418 4.131 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.212 3.360 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.862 1.812 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.819 3.864 -11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.764 3.112 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.615 0.926 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.039 1.947 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.000 0.464 -13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.882 2.076 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.502 1.087 -13.867 1.00 0.00 H new ATOM 267 N LYS A 20 -7.446 5.265 -7.014 1.00 0.00 N ATOM 268 CA LYS A 20 -7.941 6.344 -6.177 1.00 0.00 C ATOM 269 C LYS A 20 -6.795 7.310 -5.867 1.00 0.00 C ATOM 270 O LYS A 20 -6.912 8.512 -6.101 1.00 0.00 O ATOM 271 CB LYS A 20 -8.626 5.783 -4.929 1.00 0.00 C ATOM 272 CG LYS A 20 -10.138 6.012 -4.984 1.00 0.00 C ATOM 273 CD LYS A 20 -10.740 6.045 -3.578 1.00 0.00 C ATOM 274 CE LYS A 20 -10.384 7.348 -2.860 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.247 8.453 -3.333 1.00 0.00 N ATOM 0 H LYS A 20 -7.557 4.332 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.706 6.914 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.419 4.716 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.215 6.259 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.349 6.951 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.608 5.220 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.824 5.944 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.373 5.196 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.503 7.221 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.337 7.594 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.692 9.331 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.616 8.225 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.041 8.581 -2.673 1.00 0.00 H new ATOM 289 N LEU A 21 -5.715 6.748 -5.346 1.00 0.00 N ATOM 290 CA LEU A 21 -4.549 7.545 -5.002 1.00 0.00 C ATOM 291 C LEU A 21 -4.044 8.267 -6.252 1.00 0.00 C ATOM 292 O LEU A 21 -4.043 9.496 -6.305 1.00 0.00 O ATOM 293 CB LEU A 21 -3.488 6.676 -4.322 1.00 0.00 C ATOM 294 CG LEU A 21 -3.883 6.065 -2.977 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.867 5.010 -2.534 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.080 7.151 -1.917 1.00 0.00 C ATOM 0 H LEU A 21 -5.622 5.751 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.813 8.313 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.220 5.867 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.592 7.279 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.840 5.559 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.172 4.592 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.820 4.215 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.884 5.471 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.360 6.689 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.151 7.707 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.869 7.832 -2.236 1.00 0.00 H new ATOM 308 N GLU A 22 -3.626 7.474 -7.227 1.00 0.00 N ATOM 309 CA GLU A 22 -3.119 8.023 -8.473 1.00 0.00 C ATOM 310 C GLU A 22 -3.950 9.237 -8.895 1.00 0.00 C ATOM 311 O GLU A 22 -3.399 10.277 -9.251 1.00 0.00 O ATOM 312 CB GLU A 22 -3.102 6.960 -9.574 1.00 0.00 C ATOM 313 CG GLU A 22 -2.146 5.820 -9.221 1.00 0.00 C ATOM 314 CD GLU A 22 -0.688 6.268 -9.349 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.284 7.125 -8.534 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.011 5.742 -10.259 1.00 0.00 O ATOM 0 H GLU A 22 -3.628 6.455 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.091 8.349 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.107 6.565 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.800 7.414 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.338 5.481 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.328 4.971 -9.879 1.00 0.00 H new ATOM 323 N LYS A 23 -5.262 9.063 -8.841 1.00 0.00 N ATOM 324 CA LYS A 23 -6.174 10.131 -9.213 1.00 0.00 C ATOM 325 C LYS A 23 -5.958 11.328 -8.284 1.00 0.00 C ATOM 326 O LYS A 23 -5.662 12.430 -8.744 1.00 0.00 O ATOM 327 CB LYS A 23 -7.617 9.621 -9.233 1.00 0.00 C ATOM 328 CG LYS A 23 -8.600 10.768 -9.475 1.00 0.00 C ATOM 329 CD LYS A 23 -9.998 10.408 -8.967 1.00 0.00 C ATOM 330 CE LYS A 23 -10.910 9.990 -10.121 1.00 0.00 C ATOM 331 NZ LYS A 23 -12.103 10.864 -10.181 1.00 0.00 N ATOM 0 H LYS A 23 -5.715 8.198 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.967 10.473 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.730 8.869 -10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.847 9.133 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.246 11.667 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.644 10.996 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.928 9.597 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.431 11.263 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.364 10.045 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.218 8.952 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.712 10.567 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.632 10.791 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.804 11.850 -10.327 1.00 0.00 H new ATOM 345 N MET A 24 -6.113 11.070 -6.994 1.00 0.00 N ATOM 346 CA MET A 24 -5.938 12.112 -5.997 1.00 0.00 C ATOM 347 C MET A 24 -4.675 12.930 -6.274 1.00 0.00 C ATOM 348 O MET A 24 -4.717 14.160 -6.282 1.00 0.00 O ATOM 349 CB MET A 24 -5.841 11.478 -4.607 1.00 0.00 C ATOM 350 CG MET A 24 -7.159 10.805 -4.219 1.00 0.00 C ATOM 351 SD MET A 24 -7.627 11.288 -2.565 1.00 0.00 S ATOM 352 CE MET A 24 -7.322 9.758 -1.698 1.00 0.00 C ATOM 0 H MET A 24 -6.358 10.155 -6.616 1.00 0.00 H new ATOM 0 HA MET A 24 -6.798 12.780 -6.043 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.036 10.744 -4.594 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.588 12.242 -3.872 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.942 11.086 -4.924 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.054 9.722 -4.274 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.268 9.343 -1.349 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.840 9.049 -2.371 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.672 9.947 -0.844 1.00 0.00 H new ATOM 362 N VAL A 25 -3.582 12.215 -6.494 1.00 0.00 N ATOM 363 CA VAL A 25 -2.309 12.859 -6.771 1.00 0.00 C ATOM 364 C VAL A 25 -2.465 13.789 -7.976 1.00 0.00 C ATOM 365 O VAL A 25 -2.119 14.968 -7.904 1.00 0.00 O ATOM 366 CB VAL A 25 -1.220 11.803 -6.968 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.159 12.455 -7.092 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.241 10.776 -5.835 1.00 0.00 C ATOM 0 H VAL A 25 -3.551 11.195 -6.486 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.999 13.472 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.427 11.277 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.915 11.683 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.167 13.129 -7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.378 13.018 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.457 10.037 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.071 11.280 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.210 10.278 -5.813 1.00 0.00 H new ATOM 378 N SER A 26 -2.986 13.225 -9.056 1.00 0.00 N ATOM 379 CA SER A 26 -3.192 13.989 -10.274 1.00 0.00 C ATOM 380 C SER A 26 -4.036 15.230 -9.978 1.00 0.00 C ATOM 381 O SER A 26 -3.725 16.323 -10.447 1.00 0.00 O ATOM 382 CB SER A 26 -3.862 13.135 -11.353 1.00 0.00 C ATOM 383 OG SER A 26 -3.187 13.229 -12.604 1.00 0.00 O ATOM 0 H SER A 26 -3.272 12.247 -9.112 1.00 0.00 H new ATOM 0 HA SER A 26 -2.218 14.302 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.883 12.094 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.898 13.452 -11.475 1.00 0.00 H new ATOM 0 HG SER A 26 -3.644 12.669 -13.265 1.00 0.00 H new ATOM 389 N ARG A 27 -5.089 15.018 -9.201 1.00 0.00 N ATOM 390 CA ARG A 27 -5.980 16.106 -8.837 1.00 0.00 C ATOM 391 C ARG A 27 -5.377 16.927 -7.695 1.00 0.00 C ATOM 392 O ARG A 27 -6.006 17.859 -7.196 1.00 0.00 O ATOM 393 CB ARG A 27 -7.349 15.575 -8.406 1.00 0.00 C ATOM 394 CG ARG A 27 -8.070 14.905 -9.577 1.00 0.00 C ATOM 395 CD ARG A 27 -9.359 14.225 -9.111 1.00 0.00 C ATOM 396 NE ARG A 27 -10.534 15.002 -9.564 1.00 0.00 N ATOM 397 CZ ARG A 27 -11.062 16.030 -8.886 1.00 0.00 C ATOM 398 NH1 ARG A 27 -10.522 16.411 -7.720 1.00 0.00 N ATOM 399 NH2 ARG A 27 -12.129 16.677 -9.373 1.00 0.00 N ATOM 0 H ARG A 27 -5.344 14.109 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.108 16.738 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.226 14.860 -7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.956 16.394 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.302 15.649 -10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.413 14.169 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.409 13.211 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.364 14.143 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.969 14.738 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.709 15.918 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.924 17.194 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.540 16.387 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.531 17.459 -8.856 1.00 0.00 H new ATOM 413 N LYS A 28 -4.165 16.550 -7.314 1.00 0.00 N ATOM 414 CA LYS A 28 -3.470 17.240 -6.241 1.00 0.00 C ATOM 415 C LYS A 28 -4.466 17.580 -5.130 1.00 0.00 C ATOM 416 O LYS A 28 -4.719 18.752 -4.855 1.00 0.00 O ATOM 417 CB LYS A 28 -2.717 18.456 -6.784 1.00 0.00 C ATOM 418 CG LYS A 28 -1.292 18.512 -6.228 1.00 0.00 C ATOM 419 CD LYS A 28 -0.280 18.793 -7.340 1.00 0.00 C ATOM 420 CE LYS A 28 0.652 19.943 -6.955 1.00 0.00 C ATOM 421 NZ LYS A 28 1.498 20.332 -8.106 1.00 0.00 N ATOM 0 H LYS A 28 -3.647 15.776 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.710 16.593 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.685 18.412 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.251 19.368 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.225 19.289 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.050 17.567 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.306 17.896 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.806 19.040 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.065 20.799 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.282 19.643 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.125 21.114 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.072 19.518 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.892 20.638 -8.894 1.00 0.00 H new ATOM 435 N LYS A 29 -5.004 16.533 -4.521 1.00 0.00 N ATOM 436 CA LYS A 29 -5.966 16.706 -3.446 1.00 0.00 C ATOM 437 C LYS A 29 -5.566 15.823 -2.262 1.00 0.00 C ATOM 438 O LYS A 29 -5.326 16.322 -1.164 1.00 0.00 O ATOM 439 CB LYS A 29 -7.387 16.449 -3.952 1.00 0.00 C ATOM 440 CG LYS A 29 -8.209 17.740 -3.958 1.00 0.00 C ATOM 441 CD LYS A 29 -8.914 17.947 -2.616 1.00 0.00 C ATOM 442 CE LYS A 29 -10.129 18.863 -2.771 1.00 0.00 C ATOM 443 NZ LYS A 29 -10.055 19.990 -1.815 1.00 0.00 N ATOM 0 H LYS A 29 -4.792 15.562 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.960 17.737 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.349 16.033 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.874 15.707 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.558 18.589 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.948 17.701 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.229 16.984 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.217 18.379 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.175 19.246 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.044 18.295 -2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.888 20.602 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.033 19.620 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.192 20.542 -1.995 1.00 0.00 H new ATOM 457 N THR A 30 -5.508 14.526 -2.526 1.00 0.00 N ATOM 458 CA THR A 30 -5.141 13.568 -1.496 1.00 0.00 C ATOM 459 C THR A 30 -5.800 13.938 -0.166 1.00 0.00 C ATOM 460 O THR A 30 -5.148 14.479 0.725 1.00 0.00 O ATOM 461 CB THR A 30 -3.614 13.514 -1.424 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.230 14.863 -1.173 1.00 0.00 O ATOM 463 CG2 THR A 30 -2.975 13.189 -2.775 1.00 0.00 C ATOM 0 H THR A 30 -5.709 14.116 -3.438 1.00 0.00 H new ATOM 0 HA THR A 30 -5.505 12.569 -1.736 1.00 0.00 H new ATOM 0 HB THR A 30 -3.312 12.766 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.849 15.265 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.891 13.163 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.329 12.218 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.249 13.954 -3.501 1.00 0.00 H new ATOM 471 N GLU A 31 -7.086 13.630 -0.073 1.00 0.00 N ATOM 472 CA GLU A 31 -7.840 13.922 1.134 1.00 0.00 C ATOM 473 C GLU A 31 -8.001 12.657 1.979 1.00 0.00 C ATOM 474 O GLU A 31 -7.655 12.647 3.159 1.00 0.00 O ATOM 475 CB GLU A 31 -9.202 14.532 0.795 1.00 0.00 C ATOM 476 CG GLU A 31 -9.109 16.056 0.689 1.00 0.00 C ATOM 477 CD GLU A 31 -9.199 16.708 2.070 1.00 0.00 C ATOM 478 OE1 GLU A 31 -8.166 16.690 2.774 1.00 0.00 O ATOM 479 OE2 GLU A 31 -10.298 17.209 2.391 1.00 0.00 O ATOM 0 H GLU A 31 -7.624 13.181 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.284 14.656 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.565 14.120 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.927 14.261 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.169 16.334 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.912 16.430 0.053 1.00 0.00 H new ATOM 486 N GLY A 32 -8.527 11.621 1.342 1.00 0.00 N ATOM 487 CA GLY A 32 -8.738 10.354 2.021 1.00 0.00 C ATOM 488 C GLY A 32 -7.637 9.352 1.666 1.00 0.00 C ATOM 489 O GLY A 32 -7.924 8.232 1.248 1.00 0.00 O ATOM 0 H GLY A 32 -8.813 11.633 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.756 10.514 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.710 9.946 1.743 1.00 0.00 H new ATOM 493 N ALA A 33 -6.400 9.792 1.847 1.00 0.00 N ATOM 494 CA ALA A 33 -5.255 8.948 1.551 1.00 0.00 C ATOM 495 C ALA A 33 -5.068 7.935 2.682 1.00 0.00 C ATOM 496 O ALA A 33 -4.904 6.742 2.431 1.00 0.00 O ATOM 497 CB ALA A 33 -4.017 9.822 1.340 1.00 0.00 C ATOM 0 H ALA A 33 -6.166 10.722 2.195 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.419 8.388 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.158 9.189 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.190 10.503 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.819 10.397 2.244 1.00 0.00 H new ATOM 503 N LEU A 34 -5.100 8.448 3.904 1.00 0.00 N ATOM 504 CA LEU A 34 -4.936 7.603 5.074 1.00 0.00 C ATOM 505 C LEU A 34 -5.732 6.310 4.880 1.00 0.00 C ATOM 506 O LEU A 34 -5.153 5.229 4.786 1.00 0.00 O ATOM 507 CB LEU A 34 -5.309 8.369 6.345 1.00 0.00 C ATOM 508 CG LEU A 34 -4.561 7.964 7.617 1.00 0.00 C ATOM 509 CD1 LEU A 34 -3.052 7.902 7.370 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.914 8.892 8.780 1.00 0.00 C ATOM 0 H LEU A 34 -5.237 9.438 4.108 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.890 7.320 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.137 9.431 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.377 8.244 6.520 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.883 6.961 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.544 7.612 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.840 7.168 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.695 8.881 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.369 8.582 9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.640 9.916 8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.985 8.841 8.974 1.00 0.00 H new ATOM 522 N ASP A 35 -7.047 6.464 4.827 1.00 0.00 N ATOM 523 CA ASP A 35 -7.927 5.323 4.646 1.00 0.00 C ATOM 524 C ASP A 35 -7.321 4.376 3.608 1.00 0.00 C ATOM 525 O ASP A 35 -7.224 3.172 3.843 1.00 0.00 O ATOM 526 CB ASP A 35 -9.302 5.763 4.139 1.00 0.00 C ATOM 527 CG ASP A 35 -10.442 5.615 5.148 1.00 0.00 C ATOM 528 OD1 ASP A 35 -10.431 6.384 6.133 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.298 4.736 4.913 1.00 0.00 O ATOM 0 H ASP A 35 -7.524 7.362 4.906 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.040 4.828 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.242 6.807 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.547 5.183 3.249 1.00 0.00 H new ATOM 534 N LEU A 36 -6.929 4.955 2.483 1.00 0.00 N ATOM 535 CA LEU A 36 -6.335 4.178 1.409 1.00 0.00 C ATOM 536 C LEU A 36 -5.047 3.523 1.911 1.00 0.00 C ATOM 537 O LEU A 36 -4.883 2.308 1.808 1.00 0.00 O ATOM 538 CB LEU A 36 -6.138 5.047 0.165 1.00 0.00 C ATOM 539 CG LEU A 36 -7.415 5.500 -0.545 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.140 6.697 -1.457 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.064 4.340 -1.303 1.00 0.00 C ATOM 0 H LEU A 36 -7.011 5.954 2.292 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.005 3.374 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.571 5.933 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.526 4.493 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.127 5.828 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.064 6.999 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.758 7.527 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.402 6.419 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.970 4.690 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.367 3.958 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.318 3.544 -0.603 1.00 0.00 H new ATOM 553 N LEU A 37 -4.166 4.356 2.444 1.00 0.00 N ATOM 554 CA LEU A 37 -2.897 3.873 2.963 1.00 0.00 C ATOM 555 C LEU A 37 -3.156 2.736 3.954 1.00 0.00 C ATOM 556 O LEU A 37 -2.497 1.699 3.900 1.00 0.00 O ATOM 557 CB LEU A 37 -2.084 5.028 3.551 1.00 0.00 C ATOM 558 CG LEU A 37 -1.732 6.160 2.584 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.483 7.468 3.339 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.546 5.776 1.698 1.00 0.00 C ATOM 0 H LEU A 37 -4.305 5.363 2.528 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.288 3.462 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.642 5.451 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.157 4.624 3.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.585 6.324 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.235 8.257 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.381 7.746 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.656 7.334 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.317 6.598 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.323 5.568 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.797 4.888 1.119 1.00 0.00 H new ATOM 572 N LYS A 38 -4.117 2.970 4.835 1.00 0.00 N ATOM 573 CA LYS A 38 -4.471 1.979 5.837 1.00 0.00 C ATOM 574 C LYS A 38 -4.669 0.622 5.158 1.00 0.00 C ATOM 575 O LYS A 38 -3.882 -0.301 5.364 1.00 0.00 O ATOM 576 CB LYS A 38 -5.683 2.444 6.646 1.00 0.00 C ATOM 577 CG LYS A 38 -5.340 3.673 7.490 1.00 0.00 C ATOM 578 CD LYS A 38 -6.227 3.750 8.734 1.00 0.00 C ATOM 579 CE LYS A 38 -6.087 5.108 9.425 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.872 5.135 10.679 1.00 0.00 N ATOM 0 H LYS A 38 -4.662 3.831 4.876 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.662 1.861 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.506 2.680 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.023 1.637 7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.292 3.633 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.467 4.576 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.268 3.586 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.955 2.955 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.037 5.306 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.429 5.899 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.766 6.064 11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.876 4.968 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.527 4.393 11.321 1.00 0.00 H new ATOM 594 N LYS A 39 -5.725 0.543 4.361 1.00 0.00 N ATOM 595 CA LYS A 39 -6.037 -0.685 3.650 1.00 0.00 C ATOM 596 C LYS A 39 -4.741 -1.313 3.133 1.00 0.00 C ATOM 597 O LYS A 39 -4.503 -2.503 3.329 1.00 0.00 O ATOM 598 CB LYS A 39 -7.073 -0.422 2.555 1.00 0.00 C ATOM 599 CG LYS A 39 -8.495 -0.598 3.092 1.00 0.00 C ATOM 600 CD LYS A 39 -8.905 -2.072 3.085 1.00 0.00 C ATOM 601 CE LYS A 39 -10.428 -2.217 3.075 1.00 0.00 C ATOM 602 NZ LYS A 39 -10.833 -3.477 3.736 1.00 0.00 N ATOM 0 H LYS A 39 -6.376 1.310 4.192 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.496 -1.409 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.949 0.589 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.908 -1.105 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.556 -0.205 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.191 -0.020 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.483 -2.566 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.494 -2.572 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.883 -1.369 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.794 -2.204 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.870 -3.560 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.414 -4.284 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.501 -3.474 4.721 1.00 0.00 H new ATOM 616 N LEU A 40 -3.937 -0.483 2.484 1.00 0.00 N ATOM 617 CA LEU A 40 -2.672 -0.942 1.937 1.00 0.00 C ATOM 618 C LEU A 40 -1.819 -1.532 3.062 1.00 0.00 C ATOM 619 O LEU A 40 -1.274 -2.626 2.925 1.00 0.00 O ATOM 620 CB LEU A 40 -1.980 0.185 1.167 1.00 0.00 C ATOM 621 CG LEU A 40 -2.696 0.673 -0.094 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.926 1.821 -0.751 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.944 -0.482 -1.066 1.00 0.00 C ATOM 0 H LEU A 40 -4.137 0.504 2.325 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.838 -1.738 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.853 1.033 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.982 -0.152 0.887 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.671 1.064 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.456 2.150 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.845 2.652 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.928 1.480 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.454 -0.108 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.991 -0.925 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.564 -1.237 -0.583 1.00 0.00 H new ATOM 635 N ASN A 41 -1.730 -0.780 4.150 1.00 0.00 N ATOM 636 CA ASN A 41 -0.953 -1.215 5.298 1.00 0.00 C ATOM 637 C ASN A 41 -1.556 -2.504 5.858 1.00 0.00 C ATOM 638 O ASN A 41 -0.848 -3.321 6.445 1.00 0.00 O ATOM 639 CB ASN A 41 -0.974 -0.162 6.408 1.00 0.00 C ATOM 640 CG ASN A 41 -0.423 -0.733 7.716 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.485 -1.547 7.734 1.00 0.00 O ATOM 642 ND2 ASN A 41 -1.022 -0.262 8.807 1.00 0.00 N ATOM 0 H ASN A 41 -2.183 0.127 4.260 1.00 0.00 H new ATOM 0 HA ASN A 41 0.074 -1.373 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.382 0.702 6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.994 0.189 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.726 -0.582 9.729 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.777 0.419 8.721 1.00 0.00 H new ATOM 649 N SER A 42 -2.858 -2.647 5.658 1.00 0.00 N ATOM 650 CA SER A 42 -3.564 -3.823 6.136 1.00 0.00 C ATOM 651 C SER A 42 -3.959 -4.712 4.955 1.00 0.00 C ATOM 652 O SER A 42 -5.063 -5.253 4.922 1.00 0.00 O ATOM 653 CB SER A 42 -4.804 -3.432 6.942 1.00 0.00 C ATOM 654 OG SER A 42 -4.539 -3.390 8.342 1.00 0.00 O ATOM 0 H SER A 42 -3.442 -1.967 5.171 1.00 0.00 H new ATOM 0 HA SER A 42 -2.896 -4.378 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.159 -2.456 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.604 -4.146 6.746 1.00 0.00 H new ATOM 0 HG SER A 42 -5.355 -3.135 8.822 1.00 0.00 H new ATOM 660 N CYS A 43 -3.034 -4.836 4.014 1.00 0.00 N ATOM 661 CA CYS A 43 -3.272 -5.651 2.834 1.00 0.00 C ATOM 662 C CYS A 43 -2.019 -6.489 2.569 1.00 0.00 C ATOM 663 O CYS A 43 -0.900 -5.993 2.685 1.00 0.00 O ATOM 664 CB CYS A 43 -3.652 -4.795 1.624 1.00 0.00 C ATOM 665 SG CYS A 43 -5.462 -4.852 1.361 1.00 0.00 S ATOM 0 H CYS A 43 -2.119 -4.386 4.045 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.120 -6.313 3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.331 -3.765 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.135 -5.157 0.735 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.774 -4.120 0.333 1.00 0.00 H new ATOM 671 N GLN A 44 -2.251 -7.746 2.219 1.00 0.00 N ATOM 672 CA GLN A 44 -1.156 -8.658 1.937 1.00 0.00 C ATOM 673 C GLN A 44 -0.541 -8.344 0.572 1.00 0.00 C ATOM 674 O GLN A 44 -0.733 -9.091 -0.386 1.00 0.00 O ATOM 675 CB GLN A 44 -1.623 -10.114 2.006 1.00 0.00 C ATOM 676 CG GLN A 44 -0.860 -10.884 3.086 1.00 0.00 C ATOM 677 CD GLN A 44 -0.623 -12.334 2.661 1.00 0.00 C ATOM 678 OE1 GLN A 44 -1.464 -12.975 2.052 1.00 0.00 O ATOM 679 NE2 GLN A 44 0.566 -12.814 3.014 1.00 0.00 N ATOM 0 H GLN A 44 -3.181 -8.154 2.124 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.389 -8.520 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.692 -10.147 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.474 -10.594 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.096 -10.397 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.423 -10.862 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.224 -12.223 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.820 -13.773 2.776 1.00 0.00 H new ATOM 688 N MET A 45 0.184 -7.236 0.526 1.00 0.00 N ATOM 689 CA MET A 45 0.828 -6.813 -0.707 1.00 0.00 C ATOM 690 C MET A 45 1.914 -7.806 -1.126 1.00 0.00 C ATOM 691 O MET A 45 2.476 -8.508 -0.287 1.00 0.00 O ATOM 692 CB MET A 45 1.449 -5.429 -0.510 1.00 0.00 C ATOM 693 CG MET A 45 2.081 -4.922 -1.807 1.00 0.00 C ATOM 694 SD MET A 45 0.817 -4.653 -3.038 1.00 0.00 S ATOM 695 CE MET A 45 -0.164 -3.413 -2.209 1.00 0.00 C ATOM 0 H MET A 45 0.340 -6.618 1.322 1.00 0.00 H new ATOM 0 HA MET A 45 0.075 -6.774 -1.494 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.684 -4.728 -0.176 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.205 -5.474 0.274 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.621 -3.994 -1.619 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.809 -5.646 -2.174 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.833 -2.939 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.752 -3.882 -1.420 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.493 -2.660 -1.774 1.00 0.00 H new ATOM 705 N SER A 46 2.177 -7.833 -2.424 1.00 0.00 N ATOM 706 CA SER A 46 3.186 -8.728 -2.965 1.00 0.00 C ATOM 707 C SER A 46 3.991 -8.012 -4.052 1.00 0.00 C ATOM 708 O SER A 46 3.640 -6.908 -4.465 1.00 0.00 O ATOM 709 CB SER A 46 2.549 -10.000 -3.528 1.00 0.00 C ATOM 710 OG SER A 46 2.357 -10.991 -2.522 1.00 0.00 O ATOM 0 H SER A 46 1.709 -7.249 -3.117 1.00 0.00 H new ATOM 0 HA SER A 46 3.856 -9.017 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.589 -9.754 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.182 -10.403 -4.318 1.00 0.00 H new ATOM 0 HG SER A 46 1.947 -11.787 -2.921 1.00 0.00 H new ATOM 716 N ILE A 47 5.057 -8.671 -4.484 1.00 0.00 N ATOM 717 CA ILE A 47 5.915 -8.111 -5.515 1.00 0.00 C ATOM 718 C ILE A 47 5.147 -8.056 -6.837 1.00 0.00 C ATOM 719 O ILE A 47 4.961 -6.982 -7.406 1.00 0.00 O ATOM 720 CB ILE A 47 7.229 -8.890 -5.598 1.00 0.00 C ATOM 721 CG1 ILE A 47 8.106 -8.620 -4.374 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.962 -8.590 -6.907 1.00 0.00 C ATOM 723 CD1 ILE A 47 9.130 -9.739 -4.175 1.00 0.00 C ATOM 0 H ILE A 47 5.346 -9.586 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 47 6.193 -7.087 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 47 6.995 -9.955 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.622 -7.667 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.480 -8.533 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.893 -9.156 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.333 -8.875 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.183 -7.524 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.740 -9.522 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.610 -10.686 -4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.770 -9.807 -5.055 1.00 0.00 H new ATOM 735 N GLN A 48 4.722 -9.227 -7.287 1.00 0.00 N ATOM 736 CA GLN A 48 3.979 -9.326 -8.532 1.00 0.00 C ATOM 737 C GLN A 48 2.847 -8.296 -8.557 1.00 0.00 C ATOM 738 O GLN A 48 2.722 -7.529 -9.511 1.00 0.00 O ATOM 739 CB GLN A 48 3.436 -10.742 -8.735 1.00 0.00 C ATOM 740 CG GLN A 48 3.290 -11.064 -10.224 1.00 0.00 C ATOM 741 CD GLN A 48 2.412 -12.300 -10.434 1.00 0.00 C ATOM 742 OE1 GLN A 48 1.447 -12.535 -9.726 1.00 0.00 O ATOM 743 NE2 GLN A 48 2.801 -13.073 -11.444 1.00 0.00 N ATOM 0 H GLN A 48 4.878 -10.116 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 48 4.659 -9.111 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.106 -11.463 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.469 -10.839 -8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.853 -10.211 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.274 -11.234 -10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.619 -12.817 -11.997 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.281 -13.922 -11.666 1.00 0.00 H new ATOM 752 N LEU A 49 2.052 -8.311 -7.498 1.00 0.00 N ATOM 753 CA LEU A 49 0.935 -7.388 -7.387 1.00 0.00 C ATOM 754 C LEU A 49 1.463 -5.952 -7.406 1.00 0.00 C ATOM 755 O LEU A 49 0.979 -5.120 -8.172 1.00 0.00 O ATOM 756 CB LEU A 49 0.090 -7.716 -6.154 1.00 0.00 C ATOM 757 CG LEU A 49 -0.580 -9.092 -6.147 1.00 0.00 C ATOM 758 CD1 LEU A 49 -0.735 -9.619 -4.719 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.916 -9.055 -6.893 1.00 0.00 C ATOM 0 H LEU A 49 2.159 -8.948 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 49 0.266 -7.494 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.725 -7.639 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.685 -6.956 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 49 0.067 -9.790 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.214 -10.598 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.247 -9.706 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.349 -8.929 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.371 -10.045 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.582 -8.340 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.747 -8.754 -7.927 1.00 0.00 H new ATOM 771 N LEU A 50 2.448 -5.706 -6.555 1.00 0.00 N ATOM 772 CA LEU A 50 3.046 -4.384 -6.465 1.00 0.00 C ATOM 773 C LEU A 50 3.206 -3.805 -7.872 1.00 0.00 C ATOM 774 O LEU A 50 3.104 -2.594 -8.064 1.00 0.00 O ATOM 775 CB LEU A 50 4.352 -4.441 -5.671 1.00 0.00 C ATOM 776 CG LEU A 50 4.266 -4.006 -4.206 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.242 -4.803 -3.339 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.479 -2.497 -4.069 1.00 0.00 C ATOM 0 H LEU A 50 2.847 -6.399 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 50 2.394 -3.707 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.730 -5.463 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.087 -3.813 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 50 3.261 -4.224 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.160 -4.474 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.002 -5.864 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.260 -4.639 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.413 -2.214 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.463 -2.232 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.713 -1.968 -4.636 1.00 0.00 H new ATOM 790 N GLN A 51 3.455 -4.696 -8.820 1.00 0.00 N ATOM 791 CA GLN A 51 3.630 -4.289 -10.203 1.00 0.00 C ATOM 792 C GLN A 51 2.271 -4.033 -10.858 1.00 0.00 C ATOM 793 O GLN A 51 1.992 -2.922 -11.305 1.00 0.00 O ATOM 794 CB GLN A 51 4.427 -5.334 -10.986 1.00 0.00 C ATOM 795 CG GLN A 51 5.876 -5.398 -10.497 1.00 0.00 C ATOM 796 CD GLN A 51 6.619 -6.573 -11.136 1.00 0.00 C ATOM 797 OE1 GLN A 51 6.069 -7.344 -11.905 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.896 -6.665 -10.775 1.00 0.00 N ATOM 0 H GLN A 51 3.540 -5.699 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 51 4.199 -3.360 -10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.958 -6.312 -10.875 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.408 -5.090 -12.048 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.387 -4.466 -10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.893 -5.499 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.293 -5.985 -10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.478 -7.415 -11.147 1.00 0.00 H new ATOM 807 N THR A 52 1.460 -5.081 -10.893 1.00 0.00 N ATOM 808 CA THR A 52 0.137 -4.984 -11.485 1.00 0.00 C ATOM 809 C THR A 52 -0.638 -3.817 -10.870 1.00 0.00 C ATOM 810 O THR A 52 -1.206 -2.996 -11.590 1.00 0.00 O ATOM 811 CB THR A 52 -0.560 -6.335 -11.310 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.694 -6.476 -9.898 1.00 0.00 O ATOM 813 CG2 THR A 52 0.331 -7.510 -11.719 1.00 0.00 C ATOM 0 H THR A 52 1.694 -6.001 -10.521 1.00 0.00 H new ATOM 0 HA THR A 52 0.196 -4.768 -12.552 1.00 0.00 H new ATOM 0 HB THR A 52 -1.476 -6.351 -11.901 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.341 -7.185 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.211 -8.445 -11.576 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.608 -7.409 -12.768 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.232 -7.515 -11.105 1.00 0.00 H new ATOM 821 N THR A 53 -0.637 -3.780 -9.546 1.00 0.00 N ATOM 822 CA THR A 53 -1.333 -2.727 -8.826 1.00 0.00 C ATOM 823 C THR A 53 -0.565 -1.408 -8.935 1.00 0.00 C ATOM 824 O THR A 53 -1.158 -0.333 -8.876 1.00 0.00 O ATOM 825 CB THR A 53 -1.536 -3.194 -7.384 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.218 -3.477 -6.922 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.257 -4.541 -7.300 1.00 0.00 C ATOM 0 H THR A 53 -0.165 -4.462 -8.953 1.00 0.00 H new ATOM 0 HA THR A 53 -2.313 -2.533 -9.261 1.00 0.00 H new ATOM 0 HB THR A 53 -2.105 -2.443 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.273 -3.967 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.375 -4.826 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.239 -4.458 -7.767 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.672 -5.300 -7.819 1.00 0.00 H new ATOM 835 N ARG A 54 0.745 -1.535 -9.093 1.00 0.00 N ATOM 836 CA ARG A 54 1.601 -0.367 -9.211 1.00 0.00 C ATOM 837 C ARG A 54 1.314 0.619 -8.076 1.00 0.00 C ATOM 838 O ARG A 54 1.435 1.829 -8.254 1.00 0.00 O ATOM 839 CB ARG A 54 1.391 0.337 -10.553 1.00 0.00 C ATOM 840 CG ARG A 54 2.604 0.151 -11.466 1.00 0.00 C ATOM 841 CD ARG A 54 3.799 0.962 -10.962 1.00 0.00 C ATOM 842 NE ARG A 54 5.061 0.363 -11.451 1.00 0.00 N ATOM 843 CZ ARG A 54 5.509 0.478 -12.709 1.00 0.00 C ATOM 844 NH1 ARG A 54 4.802 1.171 -13.611 1.00 0.00 N ATOM 845 NH2 ARG A 54 6.665 -0.099 -13.063 1.00 0.00 N ATOM 0 H ARG A 54 1.234 -2.429 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 54 2.635 -0.707 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.500 -0.060 -11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.216 1.400 -10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.870 -0.905 -11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.351 0.461 -12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.720 1.993 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.798 0.988 -9.872 1.00 0.00 H new ATOM 0 HE ARG A 54 5.625 -0.171 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.923 1.611 -13.341 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.143 1.258 -14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.204 -0.626 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.006 -0.012 -14.020 1.00 0.00 H new ATOM 859 N ILE A 55 0.939 0.062 -6.933 1.00 0.00 N ATOM 860 CA ILE A 55 0.633 0.877 -5.769 1.00 0.00 C ATOM 861 C ILE A 55 1.923 1.510 -5.243 1.00 0.00 C ATOM 862 O ILE A 55 1.884 2.542 -4.574 1.00 0.00 O ATOM 863 CB ILE A 55 -0.120 0.054 -4.722 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.689 0.954 -3.623 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.768 -1.054 -4.153 1.00 0.00 C ATOM 866 CD1 ILE A 55 -2.011 1.586 -4.063 1.00 0.00 C ATOM 0 H ILE A 55 0.840 -0.943 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.036 1.694 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.965 -0.430 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.845 0.371 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.030 1.737 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.208 -1.624 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.083 -1.718 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.646 -0.611 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.394 2.221 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.847 2.187 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.735 0.801 -4.281 1.00 0.00 H new ATOM 878 N GLY A 56 3.035 0.866 -5.564 1.00 0.00 N ATOM 879 CA GLY A 56 4.334 1.353 -5.132 1.00 0.00 C ATOM 880 C GLY A 56 4.530 2.818 -5.528 1.00 0.00 C ATOM 881 O GLY A 56 4.966 3.631 -4.716 1.00 0.00 O ATOM 0 H GLY A 56 3.063 0.010 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.424 1.250 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.121 0.744 -5.577 1.00 0.00 H new ATOM 885 N VAL A 57 4.198 3.109 -6.778 1.00 0.00 N ATOM 886 CA VAL A 57 4.332 4.461 -7.292 1.00 0.00 C ATOM 887 C VAL A 57 3.187 5.322 -6.754 1.00 0.00 C ATOM 888 O VAL A 57 3.339 6.532 -6.590 1.00 0.00 O ATOM 889 CB VAL A 57 4.395 4.437 -8.820 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.078 3.933 -9.415 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.756 5.815 -9.376 1.00 0.00 C ATOM 0 H VAL A 57 3.837 2.431 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 57 5.265 4.909 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 57 5.182 3.742 -9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.149 3.926 -10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.880 2.922 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.265 4.591 -9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.794 5.770 -10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.002 6.540 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.730 6.119 -8.991 1.00 0.00 H new ATOM 901 N ALA A 58 2.066 4.665 -6.495 1.00 0.00 N ATOM 902 CA ALA A 58 0.896 5.355 -5.980 1.00 0.00 C ATOM 903 C ALA A 58 1.237 5.989 -4.630 1.00 0.00 C ATOM 904 O ALA A 58 1.073 7.195 -4.447 1.00 0.00 O ATOM 905 CB ALA A 58 -0.275 4.374 -5.884 1.00 0.00 C ATOM 0 H ALA A 58 1.943 3.662 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 58 0.595 6.156 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.153 4.892 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.496 3.974 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.011 3.557 -5.213 1.00 0.00 H new ATOM 911 N VAL A 59 1.704 5.149 -3.718 1.00 0.00 N ATOM 912 CA VAL A 59 2.069 5.612 -2.390 1.00 0.00 C ATOM 913 C VAL A 59 3.110 6.727 -2.512 1.00 0.00 C ATOM 914 O VAL A 59 2.848 7.869 -2.138 1.00 0.00 O ATOM 915 CB VAL A 59 2.551 4.435 -1.539 1.00 0.00 C ATOM 916 CG1 VAL A 59 2.959 4.901 -0.140 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.484 3.341 -1.464 1.00 0.00 C ATOM 0 H VAL A 59 1.838 4.150 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 59 1.202 6.031 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 59 3.432 4.011 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.297 4.045 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.767 5.628 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.104 5.362 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.851 2.516 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.577 3.748 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.263 2.979 -2.468 1.00 0.00 H new ATOM 927 N ASN A 60 4.269 6.357 -3.037 1.00 0.00 N ATOM 928 CA ASN A 60 5.350 7.311 -3.213 1.00 0.00 C ATOM 929 C ASN A 60 4.784 8.619 -3.770 1.00 0.00 C ATOM 930 O ASN A 60 5.056 9.694 -3.237 1.00 0.00 O ATOM 931 CB ASN A 60 6.392 6.787 -4.204 1.00 0.00 C ATOM 932 CG ASN A 60 7.506 7.813 -4.422 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.410 8.705 -5.249 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.564 7.637 -3.637 1.00 0.00 N ATOM 0 H ASN A 60 4.483 5.409 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 60 5.822 7.468 -2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.818 5.856 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.912 6.559 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.361 8.270 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.579 6.869 -2.966 1.00 0.00 H new ATOM 941 N GLY A 61 4.008 8.485 -4.835 1.00 0.00 N ATOM 942 CA GLY A 61 3.402 9.643 -5.469 1.00 0.00 C ATOM 943 C GLY A 61 2.750 10.559 -4.431 1.00 0.00 C ATOM 944 O GLY A 61 2.740 11.778 -4.593 1.00 0.00 O ATOM 0 H GLY A 61 3.785 7.592 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.160 10.197 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.654 9.316 -6.192 1.00 0.00 H new ATOM 948 N VAL A 62 2.222 9.936 -3.388 1.00 0.00 N ATOM 949 CA VAL A 62 1.570 10.680 -2.323 1.00 0.00 C ATOM 950 C VAL A 62 2.630 11.216 -1.359 1.00 0.00 C ATOM 951 O VAL A 62 2.689 12.417 -1.102 1.00 0.00 O ATOM 952 CB VAL A 62 0.525 9.800 -1.634 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.561 10.653 -0.976 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.085 8.800 -2.619 1.00 0.00 C ATOM 0 H VAL A 62 2.232 8.924 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 62 1.035 11.539 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 62 1.028 9.234 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.291 10.003 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.108 11.307 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.058 11.257 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.824 8.187 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.566 9.340 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.700 8.160 -3.021 1.00 0.00 H new ATOM 964 N ARG A 63 3.441 10.299 -0.851 1.00 0.00 N ATOM 965 CA ARG A 63 4.495 10.665 0.079 1.00 0.00 C ATOM 966 C ARG A 63 5.315 11.830 -0.479 1.00 0.00 C ATOM 967 O ARG A 63 5.990 12.533 0.271 1.00 0.00 O ATOM 968 CB ARG A 63 5.424 9.480 0.351 1.00 0.00 C ATOM 969 CG ARG A 63 6.697 9.935 1.069 1.00 0.00 C ATOM 970 CD ARG A 63 7.589 8.741 1.413 1.00 0.00 C ATOM 971 NE ARG A 63 8.898 9.215 1.916 1.00 0.00 N ATOM 972 CZ ARG A 63 9.843 9.770 1.145 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.630 9.924 -0.170 1.00 0.00 N ATOM 974 NH2 ARG A 63 11.000 10.172 1.687 1.00 0.00 N ATOM 0 H ARG A 63 3.389 9.303 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 63 4.023 10.965 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.905 8.738 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.686 8.995 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.246 10.633 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.433 10.471 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.104 8.119 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.733 8.118 0.530 1.00 0.00 H new ATOM 0 HE ARG A 63 9.093 9.113 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.749 9.619 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.349 10.346 -0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.162 10.056 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.719 10.594 1.099 1.00 0.00 H new ATOM 988 N LYS A 64 5.229 11.997 -1.790 1.00 0.00 N ATOM 989 CA LYS A 64 5.955 13.065 -2.457 1.00 0.00 C ATOM 990 C LYS A 64 5.018 14.255 -2.673 1.00 0.00 C ATOM 991 O LYS A 64 5.419 15.405 -2.502 1.00 0.00 O ATOM 992 CB LYS A 64 6.601 12.551 -3.745 1.00 0.00 C ATOM 993 CG LYS A 64 6.823 13.691 -4.740 1.00 0.00 C ATOM 994 CD LYS A 64 7.363 13.160 -6.070 1.00 0.00 C ATOM 995 CE LYS A 64 8.618 13.925 -6.497 1.00 0.00 C ATOM 996 NZ LYS A 64 8.938 13.646 -7.915 1.00 0.00 N ATOM 0 H LYS A 64 4.668 11.411 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 64 6.777 13.414 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.554 12.075 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.965 11.789 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.884 14.219 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.524 14.413 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.594 12.099 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.597 13.252 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.464 14.995 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.459 13.638 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.792 14.173 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.105 12.627 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.142 13.942 -8.515 1.00 0.00 H new ATOM 1010 N HIS A 65 3.786 13.938 -3.045 1.00 0.00 N ATOM 1011 CA HIS A 65 2.789 14.967 -3.286 1.00 0.00 C ATOM 1012 C HIS A 65 2.073 15.304 -1.976 1.00 0.00 C ATOM 1013 O HIS A 65 1.004 15.914 -1.988 1.00 0.00 O ATOM 1014 CB HIS A 65 1.826 14.541 -4.395 1.00 0.00 C ATOM 1015 CG HIS A 65 2.479 14.381 -5.748 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.613 13.720 -6.117 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 1.960 14.943 -6.902 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.777 13.867 -7.426 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 2.754 14.626 -7.914 1.00 0.00 N flip ATOM 0 H HIS A 65 3.456 12.983 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 65 3.277 15.876 -3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.360 13.597 -4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.028 15.280 -4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.061 15.538 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.587 13.454 -8.009 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.623 14.901 -8.887 1.00 0.00 H new ATOM 1061 N LYS A 69 2.140 14.171 7.962 1.00 0.00 N ATOM 1062 CA LYS A 69 2.882 13.411 8.955 1.00 0.00 C ATOM 1063 C LYS A 69 2.393 11.962 8.951 1.00 0.00 C ATOM 1064 O LYS A 69 3.095 11.067 8.483 1.00 0.00 O ATOM 1065 CB LYS A 69 2.791 14.088 10.324 1.00 0.00 C ATOM 1066 CG LYS A 69 4.179 14.476 10.837 1.00 0.00 C ATOM 1067 CD LYS A 69 4.173 14.650 12.357 1.00 0.00 C ATOM 1068 CE LYS A 69 5.433 14.049 12.983 1.00 0.00 C ATOM 1069 NZ LYS A 69 6.633 14.807 12.562 1.00 0.00 N ATOM 0 HA LYS A 69 3.943 13.390 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.164 14.977 10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.311 13.415 11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.901 13.709 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.500 15.403 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.109 15.710 12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.289 14.170 12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.349 14.064 14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.532 13.005 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.471 14.429 13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.759 14.715 11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.514 15.810 12.808 1.00 0.00 H new ATOM 1083 N GLU A 70 1.192 11.774 9.479 1.00 0.00 N ATOM 1084 CA GLU A 70 0.601 10.449 9.543 1.00 0.00 C ATOM 1085 C GLU A 70 0.394 9.891 8.133 1.00 0.00 C ATOM 1086 O GLU A 70 0.827 8.781 7.831 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.716 10.472 10.322 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.461 10.615 11.824 1.00 0.00 C ATOM 1089 CD GLU A 70 -0.546 12.080 12.258 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -1.687 12.585 12.330 1.00 0.00 O ATOM 1091 OE2 GLU A 70 0.532 12.661 12.507 1.00 0.00 O ATOM 0 H GLU A 70 0.612 12.518 9.867 1.00 0.00 H new ATOM 0 HA GLU A 70 1.288 9.792 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.334 11.299 9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.273 9.555 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.191 10.025 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.523 10.216 12.069 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.269 10.689 7.308 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.538 10.289 5.937 1.00 0.00 C ATOM 1100 C VAL A 71 0.785 10.017 5.220 1.00 0.00 C ATOM 1101 O VAL A 71 0.848 9.177 4.323 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.389 11.353 5.239 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.529 11.050 3.746 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.761 11.481 5.904 1.00 0.00 C ATOM 0 H VAL A 71 -0.627 11.609 7.562 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.115 9.364 5.915 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.878 12.310 5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.138 11.821 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.542 11.034 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.007 10.079 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.345 12.243 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.283 10.525 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.634 11.765 6.949 1.00 0.00 H new ATOM 1114 N VAL A 72 1.811 10.742 5.642 1.00 0.00 N ATOM 1115 CA VAL A 72 3.129 10.589 5.051 1.00 0.00 C ATOM 1116 C VAL A 72 3.849 9.415 5.718 1.00 0.00 C ATOM 1117 O VAL A 72 4.714 8.787 5.110 1.00 0.00 O ATOM 1118 CB VAL A 72 3.905 11.903 5.156 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.413 11.648 5.204 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.545 12.845 4.005 1.00 0.00 C ATOM 0 H VAL A 72 1.756 11.437 6.386 1.00 0.00 H new ATOM 0 HA VAL A 72 3.047 10.359 3.989 1.00 0.00 H new ATOM 0 HB VAL A 72 3.618 12.388 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.941 12.599 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.650 11.032 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.724 11.131 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.110 13.772 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.790 12.369 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.478 13.066 4.036 1.00 0.00 H new ATOM 1130 N SER A 73 3.465 9.155 6.959 1.00 0.00 N ATOM 1131 CA SER A 73 4.063 8.067 7.715 1.00 0.00 C ATOM 1132 C SER A 73 3.665 6.723 7.102 1.00 0.00 C ATOM 1133 O SER A 73 4.520 5.978 6.625 1.00 0.00 O ATOM 1134 CB SER A 73 3.645 8.124 9.186 1.00 0.00 C ATOM 1135 OG SER A 73 4.631 7.554 10.043 1.00 0.00 O ATOM 0 H SER A 73 2.747 9.679 7.460 1.00 0.00 H new ATOM 0 HA SER A 73 5.147 8.173 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.470 9.161 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.701 7.594 9.316 1.00 0.00 H new ATOM 0 HG SER A 73 4.328 7.611 10.973 1.00 0.00 H new ATOM 1141 N LEU A 74 2.368 6.454 7.135 1.00 0.00 N ATOM 1142 CA LEU A 74 1.847 5.213 6.588 1.00 0.00 C ATOM 1143 C LEU A 74 2.441 4.985 5.196 1.00 0.00 C ATOM 1144 O LEU A 74 2.926 3.896 4.895 1.00 0.00 O ATOM 1145 CB LEU A 74 0.318 5.218 6.611 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.344 4.102 7.422 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.273 3.998 8.818 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.861 4.291 7.479 1.00 0.00 C ATOM 0 H LEU A 74 1.662 7.074 7.532 1.00 0.00 H new ATOM 0 HA LEU A 74 2.149 4.368 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.017 6.176 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.041 5.156 5.584 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.156 3.155 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.216 3.197 9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.338 3.781 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.137 4.941 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.307 3.484 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.091 5.247 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.268 4.276 6.468 1.00 0.00 H new ATOM 1160 N ALA A 75 2.382 6.030 4.384 1.00 0.00 N ATOM 1161 CA ALA A 75 2.907 5.958 3.032 1.00 0.00 C ATOM 1162 C ALA A 75 4.300 5.327 3.063 1.00 0.00 C ATOM 1163 O ALA A 75 4.606 4.449 2.258 1.00 0.00 O ATOM 1164 CB ALA A 75 2.914 7.356 2.411 1.00 0.00 C ATOM 0 H ALA A 75 1.978 6.932 4.637 1.00 0.00 H new ATOM 0 HA ALA A 75 2.273 5.328 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.308 7.301 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.897 7.748 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.542 8.017 3.009 1.00 0.00 H new ATOM 1170 N LYS A 76 5.107 5.798 4.002 1.00 0.00 N ATOM 1171 CA LYS A 76 6.461 5.291 4.150 1.00 0.00 C ATOM 1172 C LYS A 76 6.407 3.833 4.611 1.00 0.00 C ATOM 1173 O LYS A 76 7.029 2.963 4.004 1.00 0.00 O ATOM 1174 CB LYS A 76 7.276 6.198 5.073 1.00 0.00 C ATOM 1175 CG LYS A 76 7.305 7.634 4.545 1.00 0.00 C ATOM 1176 CD LYS A 76 7.466 8.636 5.690 1.00 0.00 C ATOM 1177 CE LYS A 76 8.940 8.976 5.917 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.671 7.798 6.435 1.00 0.00 N ATOM 0 H LYS A 76 4.849 6.526 4.669 1.00 0.00 H new ATOM 0 HA LYS A 76 6.979 5.304 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.846 6.184 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.294 5.817 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.127 7.749 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.384 7.844 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.910 9.546 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.040 8.221 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.391 9.308 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.024 9.802 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.541 8.111 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.070 7.287 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.916 7.167 5.646 1.00 0.00 H new ATOM 1192 N VAL A 77 5.658 3.611 5.681 1.00 0.00 N ATOM 1193 CA VAL A 77 5.514 2.274 6.230 1.00 0.00 C ATOM 1194 C VAL A 77 5.343 1.273 5.086 1.00 0.00 C ATOM 1195 O VAL A 77 5.932 0.193 5.108 1.00 0.00 O ATOM 1196 CB VAL A 77 4.358 2.241 7.232 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.074 0.810 7.694 1.00 0.00 C ATOM 1198 CG2 VAL A 77 4.640 3.156 8.425 1.00 0.00 C ATOM 0 H VAL A 77 5.144 4.335 6.183 1.00 0.00 H new ATOM 0 HA VAL A 77 6.411 1.988 6.780 1.00 0.00 H new ATOM 0 HB VAL A 77 3.467 2.614 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.248 0.814 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.808 0.196 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.963 0.399 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.803 3.114 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.549 2.827 8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.770 4.180 8.075 1.00 0.00 H new ATOM 1208 N LEU A 78 4.534 1.667 4.114 1.00 0.00 N ATOM 1209 CA LEU A 78 4.278 0.817 2.963 1.00 0.00 C ATOM 1210 C LEU A 78 5.587 0.583 2.206 1.00 0.00 C ATOM 1211 O LEU A 78 5.974 -0.561 1.969 1.00 0.00 O ATOM 1212 CB LEU A 78 3.165 1.410 2.097 1.00 0.00 C ATOM 1213 CG LEU A 78 1.762 1.398 2.707 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.809 2.289 1.908 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.234 -0.032 2.839 1.00 0.00 C ATOM 0 H LEU A 78 4.047 2.563 4.099 1.00 0.00 H new ATOM 0 HA LEU A 78 3.916 -0.160 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.427 2.441 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.135 0.863 1.155 1.00 0.00 H new ATOM 0 HG LEU A 78 1.823 1.813 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.181 2.262 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.182 3.313 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.747 1.927 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.235 -0.012 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.191 -0.496 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.900 -0.608 3.482 1.00 0.00 H new ATOM 1227 N ILE A 79 6.232 1.683 1.848 1.00 0.00 N ATOM 1228 CA ILE A 79 7.489 1.611 1.124 1.00 0.00 C ATOM 1229 C ILE A 79 8.469 0.726 1.897 1.00 0.00 C ATOM 1230 O ILE A 79 9.174 -0.090 1.305 1.00 0.00 O ATOM 1231 CB ILE A 79 8.024 3.016 0.837 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.374 3.605 -0.416 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.551 3.013 0.744 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.946 4.071 -0.126 1.00 0.00 C ATOM 0 H ILE A 79 5.907 2.630 2.046 1.00 0.00 H new ATOM 0 HA ILE A 79 7.340 1.146 0.149 1.00 0.00 H new ATOM 0 HB ILE A 79 7.754 3.662 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.968 4.444 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.362 2.858 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.905 4.023 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.972 2.665 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.865 2.349 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.507 4.485 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.349 3.224 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.963 4.836 0.651 1.00 0.00 H new ATOM 1246 N LYS A 80 8.482 0.917 3.208 1.00 0.00 N ATOM 1247 CA LYS A 80 9.363 0.146 4.068 1.00 0.00 C ATOM 1248 C LYS A 80 9.064 -1.344 3.893 1.00 0.00 C ATOM 1249 O LYS A 80 9.943 -2.117 3.514 1.00 0.00 O ATOM 1250 CB LYS A 80 9.256 0.629 5.516 1.00 0.00 C ATOM 1251 CG LYS A 80 10.640 0.902 6.107 1.00 0.00 C ATOM 1252 CD LYS A 80 10.529 1.572 7.478 1.00 0.00 C ATOM 1253 CE LYS A 80 11.354 0.821 8.524 1.00 0.00 C ATOM 1254 NZ LYS A 80 10.476 -0.011 9.377 1.00 0.00 N ATOM 0 H LYS A 80 7.896 1.595 3.696 1.00 0.00 H new ATOM 0 HA LYS A 80 10.404 0.298 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.654 1.537 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.742 -0.122 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.191 -0.034 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.208 1.541 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.873 2.604 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.484 1.603 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.093 0.191 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.903 1.532 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.052 -0.514 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.787 0.597 9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.971 -0.702 8.786 1.00 0.00 H new ATOM 1268 N ASN A 81 7.821 -1.703 4.178 1.00 0.00 N ATOM 1269 CA ASN A 81 7.395 -3.087 4.057 1.00 0.00 C ATOM 1270 C ASN A 81 7.601 -3.555 2.615 1.00 0.00 C ATOM 1271 O ASN A 81 8.054 -4.674 2.381 1.00 0.00 O ATOM 1272 CB ASN A 81 5.911 -3.238 4.396 1.00 0.00 C ATOM 1273 CG ASN A 81 5.703 -3.363 5.907 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.173 -4.287 6.550 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.975 -2.383 6.435 1.00 0.00 N ATOM 0 H ASN A 81 7.095 -1.059 4.492 1.00 0.00 H new ATOM 0 HA ASN A 81 7.986 -3.684 4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.359 -2.377 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.508 -4.119 3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.780 -2.375 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.612 -1.639 5.839 1.00 0.00 H new ATOM 1282 N TRP A 82 7.258 -2.675 1.686 1.00 0.00 N ATOM 1283 CA TRP A 82 7.400 -2.984 0.274 1.00 0.00 C ATOM 1284 C TRP A 82 8.894 -3.030 -0.053 1.00 0.00 C ATOM 1285 O TRP A 82 9.287 -3.517 -1.112 1.00 0.00 O ATOM 1286 CB TRP A 82 6.631 -1.980 -0.587 1.00 0.00 C ATOM 1287 CG TRP A 82 5.113 -2.032 -0.398 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.393 -2.964 0.242 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.153 -1.070 -0.882 1.00 0.00 C ATOM 1290 NE1 TRP A 82 3.045 -2.674 0.206 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.894 -1.486 -0.499 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.342 0.112 -1.619 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.726 -0.777 -0.807 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.165 0.808 -1.919 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.890 0.404 -1.541 1.00 0.00 C ATOM 0 H TRP A 82 6.882 -1.748 1.884 1.00 0.00 H new ATOM 0 HA TRP A 82 6.964 -3.957 0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.981 -0.974 -0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.863 -2.164 -1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.815 -3.833 0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.297 -3.229 0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.318 0.456 -1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.751 -1.123 -0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.254 1.724 -2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.030 0.998 -1.812 1.00 0.00 H new ATOM 1306 N LYS A 83 9.686 -2.515 0.876 1.00 0.00 N ATOM 1307 CA LYS A 83 11.129 -2.491 0.701 1.00 0.00 C ATOM 1308 C LYS A 83 11.663 -3.925 0.709 1.00 0.00 C ATOM 1309 O LYS A 83 12.335 -4.346 -0.231 1.00 0.00 O ATOM 1310 CB LYS A 83 11.781 -1.585 1.747 1.00 0.00 C ATOM 1311 CG LYS A 83 13.004 -0.872 1.168 1.00 0.00 C ATOM 1312 CD LYS A 83 14.246 -1.763 1.244 1.00 0.00 C ATOM 1313 CE LYS A 83 15.525 -0.935 1.106 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.595 -1.488 1.966 1.00 0.00 N ATOM 0 H LYS A 83 9.356 -2.111 1.753 1.00 0.00 H new ATOM 0 HA LYS A 83 11.389 -2.059 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.058 -0.848 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.077 -2.177 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.812 -0.598 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.182 0.054 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.256 -2.298 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.208 -2.514 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.852 -0.930 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.327 0.101 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.456 -0.915 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.286 -1.470 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.795 -2.469 1.684 1.00 0.00 H new ATOM 1328 N ARG A 84 11.345 -4.634 1.782 1.00 0.00 N ATOM 1329 CA ARG A 84 11.785 -6.012 1.926 1.00 0.00 C ATOM 1330 C ARG A 84 11.512 -6.793 0.638 1.00 0.00 C ATOM 1331 O ARG A 84 12.408 -7.443 0.102 1.00 0.00 O ATOM 1332 CB ARG A 84 11.071 -6.699 3.092 1.00 0.00 C ATOM 1333 CG ARG A 84 11.877 -6.563 4.385 1.00 0.00 C ATOM 1334 CD ARG A 84 11.530 -5.263 5.113 1.00 0.00 C ATOM 1335 NE ARG A 84 12.648 -4.863 5.996 1.00 0.00 N ATOM 1336 CZ ARG A 84 12.533 -3.991 7.007 1.00 0.00 C ATOM 1337 NH1 ARG A 84 11.348 -3.423 7.270 1.00 0.00 N ATOM 1338 NH2 ARG A 84 13.602 -3.687 7.755 1.00 0.00 N ATOM 0 H ARG A 84 10.788 -4.281 2.560 1.00 0.00 H new ATOM 0 HA ARG A 84 12.856 -5.999 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.083 -6.260 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.922 -7.754 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.674 -7.414 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.943 -6.583 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.328 -4.474 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.622 -5.397 5.701 1.00 0.00 H new ATOM 0 HE ARG A 84 13.564 -5.277 5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.534 -3.654 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.260 -2.759 8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.504 -4.119 7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.514 -3.023 8.524 1.00 0.00 H new