USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 536 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 24 SER OG : rot -140:sc= -0.131 USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= 0.686 (180deg=-0.537) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.02) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.315 K(o=-0.32,f=-0.88) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 11.035 -9.534 -2.020 1.00 0.00 N ATOM 64 CA GLU A 5 11.214 -8.588 -0.932 1.00 0.00 C ATOM 65 C GLU A 5 9.964 -7.720 -0.772 1.00 0.00 C ATOM 66 O GLU A 5 9.370 -7.674 0.304 1.00 0.00 O ATOM 67 CB GLU A 5 12.457 -7.724 -1.155 1.00 0.00 C ATOM 68 CG GLU A 5 13.654 -8.275 -0.378 1.00 0.00 C ATOM 69 CD GLU A 5 14.370 -7.161 0.389 1.00 0.00 C ATOM 70 OE1 GLU A 5 14.692 -6.142 -0.260 1.00 0.00 O ATOM 71 OE2 GLU A 5 14.578 -7.354 1.606 1.00 0.00 O ATOM 0 HA GLU A 5 11.363 -9.149 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.694 -7.689 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.254 -6.700 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.318 -9.043 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.351 -8.753 -1.067 1.00 0.00 H new ATOM 78 N LEU A 6 9.603 -7.054 -1.858 1.00 0.00 N ATOM 79 CA LEU A 6 8.434 -6.190 -1.852 1.00 0.00 C ATOM 80 C LEU A 6 7.240 -6.958 -1.282 1.00 0.00 C ATOM 81 O LEU A 6 6.587 -6.492 -0.349 1.00 0.00 O ATOM 82 CB LEU A 6 8.185 -5.615 -3.248 1.00 0.00 C ATOM 83 CG LEU A 6 8.927 -4.319 -3.582 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.937 -4.067 -5.091 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.343 -3.137 -2.807 1.00 0.00 C ATOM 0 H LEU A 6 10.099 -7.095 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 6 8.600 -5.330 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.462 -6.369 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.115 -5.437 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 6 9.965 -4.428 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.470 -3.140 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.436 -4.895 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.912 -3.986 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.889 -2.229 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.292 -3.015 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.432 -3.324 -1.737 1.00 0.00 H new ATOM 97 N LYS A 7 6.992 -8.121 -1.865 1.00 0.00 N ATOM 98 CA LYS A 7 5.889 -8.958 -1.426 1.00 0.00 C ATOM 99 C LYS A 7 6.000 -9.192 0.082 1.00 0.00 C ATOM 100 O LYS A 7 5.123 -8.787 0.843 1.00 0.00 O ATOM 101 CB LYS A 7 5.835 -10.248 -2.247 1.00 0.00 C ATOM 102 CG LYS A 7 4.409 -10.797 -2.314 1.00 0.00 C ATOM 103 CD LYS A 7 4.137 -11.760 -1.157 1.00 0.00 C ATOM 104 CE LYS A 7 4.080 -13.207 -1.650 1.00 0.00 C ATOM 105 NZ LYS A 7 5.269 -13.959 -1.190 1.00 0.00 N ATOM 0 H LYS A 7 7.536 -8.504 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 7 4.937 -8.456 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.202 -10.057 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.495 -10.993 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.696 -9.973 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.258 -11.311 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.918 -11.659 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.195 -11.499 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.174 -13.687 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.030 -13.225 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.214 -14.939 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.130 -13.509 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.300 -13.958 -0.150 1.00 0.00 H new ATOM 119 N GLY A 8 7.086 -9.845 0.468 1.00 0.00 N ATOM 120 CA GLY A 8 7.324 -10.138 1.871 1.00 0.00 C ATOM 121 C GLY A 8 7.180 -8.878 2.726 1.00 0.00 C ATOM 122 O GLY A 8 6.541 -8.906 3.777 1.00 0.00 O ATOM 0 H GLY A 8 7.811 -10.180 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.619 -10.896 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.324 -10.554 1.995 1.00 0.00 H new ATOM 126 N ILE A 9 7.785 -7.802 2.245 1.00 0.00 N ATOM 127 CA ILE A 9 7.732 -6.534 2.952 1.00 0.00 C ATOM 128 C ILE A 9 6.271 -6.162 3.214 1.00 0.00 C ATOM 129 O ILE A 9 5.882 -5.924 4.356 1.00 0.00 O ATOM 130 CB ILE A 9 8.513 -5.462 2.189 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.013 -5.573 2.468 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.974 -4.065 2.501 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.825 -4.832 1.405 1.00 0.00 C ATOM 0 H ILE A 9 8.315 -7.782 1.374 1.00 0.00 H new ATOM 0 HA ILE A 9 8.219 -6.619 3.924 1.00 0.00 H new ATOM 0 HB ILE A 9 8.371 -5.631 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.235 -5.161 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.306 -6.623 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.546 -3.322 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.925 -4.006 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.066 -3.870 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.888 -4.927 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.620 -5.262 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.547 -3.778 1.404 1.00 0.00 H new ATOM 145 N PHE A 10 5.502 -6.122 2.136 1.00 0.00 N ATOM 146 CA PHE A 10 4.092 -5.782 2.234 1.00 0.00 C ATOM 147 C PHE A 10 3.401 -6.618 3.313 1.00 0.00 C ATOM 148 O PHE A 10 2.725 -6.075 4.186 1.00 0.00 O ATOM 149 CB PHE A 10 3.460 -6.098 0.878 1.00 0.00 C ATOM 150 CG PHE A 10 1.957 -6.378 0.942 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.510 -7.625 1.252 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.068 -5.381 0.689 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.115 -7.885 1.311 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.327 -5.641 0.748 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.774 -6.887 1.058 1.00 0.00 C ATOM 0 H PHE A 10 5.828 -6.319 1.190 1.00 0.00 H new ATOM 0 HA PHE A 10 3.980 -4.731 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.635 -5.260 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.963 -6.964 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.216 -8.417 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.423 -4.391 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.240 -8.875 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.033 -4.849 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.835 -7.084 1.103 1.00 0.00 H new ATOM 165 N GLU A 11 3.595 -7.925 3.218 1.00 0.00 N ATOM 166 CA GLU A 11 2.998 -8.842 4.175 1.00 0.00 C ATOM 167 C GLU A 11 3.508 -8.541 5.586 1.00 0.00 C ATOM 168 O GLU A 11 2.722 -8.461 6.530 1.00 0.00 O ATOM 169 CB GLU A 11 3.277 -10.296 3.790 1.00 0.00 C ATOM 170 CG GLU A 11 1.990 -11.009 3.373 1.00 0.00 C ATOM 171 CD GLU A 11 2.005 -12.473 3.819 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.433 -12.712 4.969 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.589 -13.320 2.999 1.00 0.00 O ATOM 0 H GLU A 11 4.157 -8.371 2.493 1.00 0.00 H new ATOM 0 HA GLU A 11 1.918 -8.699 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.996 -10.328 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.730 -10.819 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.130 -10.501 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.875 -10.956 2.290 1.00 0.00 H new ATOM 180 N LYS A 12 4.819 -8.383 5.686 1.00 0.00 N ATOM 181 CA LYS A 12 5.443 -8.093 6.966 1.00 0.00 C ATOM 182 C LYS A 12 4.660 -6.983 7.670 1.00 0.00 C ATOM 183 O LYS A 12 4.611 -6.936 8.898 1.00 0.00 O ATOM 184 CB LYS A 12 6.928 -7.775 6.779 1.00 0.00 C ATOM 185 CG LYS A 12 7.728 -8.137 8.032 1.00 0.00 C ATOM 186 CD LYS A 12 7.857 -6.933 8.967 1.00 0.00 C ATOM 187 CE LYS A 12 8.923 -7.181 10.036 1.00 0.00 C ATOM 188 NZ LYS A 12 8.665 -6.344 11.229 1.00 0.00 N ATOM 0 H LYS A 12 5.467 -8.450 4.901 1.00 0.00 H new ATOM 0 HA LYS A 12 5.408 -8.969 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.317 -8.327 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.052 -6.715 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.238 -8.958 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.720 -8.488 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.116 -6.046 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.897 -6.734 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.926 -8.234 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.910 -6.955 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.398 -6.525 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.684 -5.340 10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.731 -6.579 11.622 1.00 0.00 H new ATOM 202 N TYR A 13 4.068 -6.116 6.862 1.00 0.00 N ATOM 203 CA TYR A 13 3.289 -5.010 7.392 1.00 0.00 C ATOM 204 C TYR A 13 1.800 -5.359 7.439 1.00 0.00 C ATOM 205 O TYR A 13 1.151 -5.189 8.469 1.00 0.00 O ATOM 206 CB TYR A 13 3.498 -3.845 6.422 1.00 0.00 C ATOM 207 CG TYR A 13 4.660 -2.923 6.797 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.951 -3.262 6.445 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.417 -1.753 7.486 1.00 0.00 C ATOM 210 CE1 TYR A 13 7.044 -2.394 6.798 1.00 0.00 C ATOM 211 CE2 TYR A 13 5.511 -0.885 7.839 1.00 0.00 C ATOM 212 CZ TYR A 13 6.770 -1.248 7.477 1.00 0.00 C ATOM 213 OH TYR A 13 7.803 -0.429 7.811 1.00 0.00 O ATOM 0 H TYR A 13 4.112 -6.157 5.844 1.00 0.00 H new ATOM 0 HA TYR A 13 3.604 -4.771 8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.673 -4.244 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.582 -3.257 6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.141 -4.178 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.407 -1.488 7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.059 -2.647 6.530 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.335 0.034 8.379 1.00 0.00 H new ATOM 0 HH TYR A 13 7.459 0.352 8.292 1.00 0.00 H new ATOM 223 N ALA A 14 1.303 -5.841 6.309 1.00 0.00 N ATOM 224 CA ALA A 14 -0.097 -6.216 6.208 1.00 0.00 C ATOM 225 C ALA A 14 -0.459 -7.139 7.373 1.00 0.00 C ATOM 226 O ALA A 14 -1.617 -7.202 7.784 1.00 0.00 O ATOM 227 CB ALA A 14 -0.356 -6.865 4.847 1.00 0.00 C ATOM 0 H ALA A 14 1.845 -5.980 5.456 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.735 -5.335 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.406 -7.146 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.112 -6.158 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.266 -7.754 4.744 1.00 0.00 H new ATOM 233 N ALA A 15 0.553 -7.832 7.874 1.00 0.00 N ATOM 234 CA ALA A 15 0.356 -8.749 8.983 1.00 0.00 C ATOM 235 C ALA A 15 0.190 -7.949 10.277 1.00 0.00 C ATOM 236 O ALA A 15 -0.544 -8.360 11.174 1.00 0.00 O ATOM 237 CB ALA A 15 1.530 -9.729 9.051 1.00 0.00 C ATOM 0 H ALA A 15 1.512 -7.777 7.532 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.551 -9.336 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.382 -10.417 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.588 -10.293 8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.458 -9.176 9.198 1.00 0.00 H new ATOM 243 N LYS A 16 0.884 -6.822 10.332 1.00 0.00 N ATOM 244 CA LYS A 16 0.822 -5.961 11.500 1.00 0.00 C ATOM 245 C LYS A 16 -0.638 -5.613 11.796 1.00 0.00 C ATOM 246 O LYS A 16 -1.118 -5.824 12.909 1.00 0.00 O ATOM 247 CB LYS A 16 1.720 -4.737 11.312 1.00 0.00 C ATOM 248 CG LYS A 16 2.769 -4.650 12.422 1.00 0.00 C ATOM 249 CD LYS A 16 3.453 -3.281 12.425 1.00 0.00 C ATOM 250 CE LYS A 16 3.864 -2.877 13.842 1.00 0.00 C ATOM 251 NZ LYS A 16 5.201 -2.242 13.833 1.00 0.00 N ATOM 0 H LYS A 16 1.492 -6.485 9.586 1.00 0.00 H new ATOM 0 HA LYS A 16 1.210 -6.480 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.215 -4.790 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.112 -3.832 11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.296 -4.826 13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.515 -5.433 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.332 -3.308 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.778 -2.532 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.130 -2.186 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.876 -3.755 14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.465 -1.974 14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.901 -2.913 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.178 -1.393 13.233 1.00 0.00 H new ATOM 265 N GLU A 17 -1.305 -5.086 10.779 1.00 0.00 N ATOM 266 CA GLU A 17 -2.701 -4.707 10.916 1.00 0.00 C ATOM 267 C GLU A 17 -3.578 -5.578 10.014 1.00 0.00 C ATOM 268 O GLU A 17 -3.306 -5.714 8.822 1.00 0.00 O ATOM 269 CB GLU A 17 -2.899 -3.222 10.604 1.00 0.00 C ATOM 270 CG GLU A 17 -2.078 -2.349 11.555 1.00 0.00 C ATOM 271 CD GLU A 17 -2.922 -1.197 12.107 1.00 0.00 C ATOM 272 OE1 GLU A 17 -4.049 -1.488 12.564 1.00 0.00 O ATOM 273 OE2 GLU A 17 -2.420 -0.053 12.060 1.00 0.00 O ATOM 0 H GLU A 17 -0.904 -4.913 9.857 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.002 -4.871 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.605 -3.021 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.955 -2.966 10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.702 -2.956 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.210 -1.950 11.030 1.00 0.00 H new ATOM 280 N GLY A 18 -4.612 -6.145 10.618 1.00 0.00 N ATOM 281 CA GLY A 18 -5.531 -6.999 9.884 1.00 0.00 C ATOM 282 C GLY A 18 -4.776 -8.091 9.123 1.00 0.00 C ATOM 283 O GLY A 18 -3.549 -8.159 9.183 1.00 0.00 O ATOM 0 H GLY A 18 -4.834 -6.030 11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.239 -7.456 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.111 -6.398 9.184 1.00 0.00 H new ATOM 287 N ASP A 19 -5.540 -8.917 8.425 1.00 0.00 N ATOM 288 CA ASP A 19 -4.958 -10.002 7.653 1.00 0.00 C ATOM 289 C ASP A 19 -3.733 -9.485 6.897 1.00 0.00 C ATOM 290 O ASP A 19 -3.583 -8.280 6.701 1.00 0.00 O ATOM 291 CB ASP A 19 -5.954 -10.542 6.624 1.00 0.00 C ATOM 292 CG ASP A 19 -6.154 -12.059 6.652 1.00 0.00 C ATOM 293 OD1 ASP A 19 -5.595 -12.688 7.576 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.862 -12.555 5.748 1.00 0.00 O ATOM 0 H ASP A 19 -6.557 -8.857 8.377 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.685 -10.799 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.918 -10.060 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.617 -10.253 5.628 1.00 0.00 H new ATOM 299 N PRO A 20 -2.864 -10.447 6.483 1.00 0.00 N ATOM 300 CA PRO A 20 -1.656 -10.101 5.754 1.00 0.00 C ATOM 301 C PRO A 20 -1.979 -9.721 4.307 1.00 0.00 C ATOM 302 O PRO A 20 -1.081 -9.400 3.531 1.00 0.00 O ATOM 303 CB PRO A 20 -0.767 -11.328 5.861 1.00 0.00 C ATOM 304 CG PRO A 20 -1.686 -12.477 6.244 1.00 0.00 C ATOM 305 CD PRO A 20 -3.009 -11.883 6.698 1.00 0.00 C ATOM 0 HA PRO A 20 -1.154 -9.225 6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.264 -11.529 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.010 -11.183 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.838 -13.144 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.241 -13.072 7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.842 -12.287 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.205 -12.109 7.746 1.00 0.00 H new ATOM 313 N ASN A 21 -3.264 -9.769 3.989 1.00 0.00 N ATOM 314 CA ASN A 21 -3.717 -9.434 2.650 1.00 0.00 C ATOM 315 C ASN A 21 -4.486 -8.112 2.692 1.00 0.00 C ATOM 316 O ASN A 21 -4.993 -7.652 1.670 1.00 0.00 O ATOM 317 CB ASN A 21 -4.656 -10.510 2.101 1.00 0.00 C ATOM 318 CG ASN A 21 -3.864 -11.668 1.488 1.00 0.00 C ATOM 319 OD1 ASN A 21 -3.598 -11.710 0.298 1.00 0.00 O ATOM 320 ND2 ASN A 21 -3.505 -12.601 2.364 1.00 0.00 N ATOM 0 H ASN A 21 -4.006 -10.035 4.636 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.840 -9.358 2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.294 -10.884 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.313 -10.075 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.974 -13.414 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.761 -12.503 3.347 1.00 0.00 H new ATOM 327 N GLN A 22 -4.549 -7.539 3.884 1.00 0.00 N ATOM 328 CA GLN A 22 -5.248 -6.279 4.073 1.00 0.00 C ATOM 329 C GLN A 22 -4.279 -5.204 4.570 1.00 0.00 C ATOM 330 O GLN A 22 -3.510 -5.439 5.500 1.00 0.00 O ATOM 331 CB GLN A 22 -6.425 -6.443 5.036 1.00 0.00 C ATOM 332 CG GLN A 22 -7.618 -7.098 4.336 1.00 0.00 C ATOM 333 CD GLN A 22 -8.850 -7.105 5.244 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.795 -6.752 6.410 1.00 0.00 O ATOM 335 NE2 GLN A 22 -9.960 -7.526 4.645 1.00 0.00 N ATOM 0 H GLN A 22 -4.127 -7.924 4.729 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.650 -5.962 3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.120 -7.050 5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.718 -5.469 5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.844 -6.561 3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.363 -8.120 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.935 -7.807 3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.836 -7.568 5.166 1.00 0.00 H new ATOM 344 N LEU A 23 -4.349 -4.047 3.928 1.00 0.00 N ATOM 345 CA LEU A 23 -3.488 -2.935 4.293 1.00 0.00 C ATOM 346 C LEU A 23 -4.323 -1.854 4.981 1.00 0.00 C ATOM 347 O LEU A 23 -5.548 -1.845 4.869 1.00 0.00 O ATOM 348 CB LEU A 23 -2.716 -2.432 3.072 1.00 0.00 C ATOM 349 CG LEU A 23 -1.365 -3.101 2.809 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.211 -2.200 3.253 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.300 -4.481 3.466 1.00 0.00 C ATOM 0 H LEU A 23 -4.989 -3.856 3.157 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.732 -3.258 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.343 -2.566 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.552 -1.361 3.187 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.261 -3.250 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.737 -2.699 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.249 -1.261 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.298 -1.997 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.330 -4.935 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.435 -4.378 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.089 -5.115 3.060 1.00 0.00 H new ATOM 363 N SER A 24 -3.627 -0.968 5.679 1.00 0.00 N ATOM 364 CA SER A 24 -4.289 0.116 6.385 1.00 0.00 C ATOM 365 C SER A 24 -3.560 1.435 6.121 1.00 0.00 C ATOM 366 O SER A 24 -2.359 1.442 5.853 1.00 0.00 O ATOM 367 CB SER A 24 -4.352 -0.164 7.888 1.00 0.00 C ATOM 368 OG SER A 24 -3.939 -1.492 8.202 1.00 0.00 O ATOM 0 H SER A 24 -2.611 -0.979 5.771 1.00 0.00 H new ATOM 0 HA SER A 24 -5.311 0.193 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.717 0.547 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.370 -0.008 8.243 1.00 0.00 H new ATOM 0 HG SER A 24 -4.518 -1.857 8.904 1.00 0.00 H new ATOM 374 N LYS A 25 -4.317 2.519 6.206 1.00 0.00 N ATOM 375 CA LYS A 25 -3.758 3.841 5.979 1.00 0.00 C ATOM 376 C LYS A 25 -2.488 4.004 6.817 1.00 0.00 C ATOM 377 O LYS A 25 -1.420 4.297 6.282 1.00 0.00 O ATOM 378 CB LYS A 25 -4.811 4.920 6.242 1.00 0.00 C ATOM 379 CG LYS A 25 -4.356 6.274 5.694 1.00 0.00 C ATOM 380 CD LYS A 25 -5.067 7.423 6.413 1.00 0.00 C ATOM 381 CE LYS A 25 -6.554 7.457 6.055 1.00 0.00 C ATOM 382 NZ LYS A 25 -7.342 6.680 7.038 1.00 0.00 N ATOM 0 H LYS A 25 -5.312 2.509 6.429 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.468 3.958 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.754 4.634 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.995 5.000 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.278 6.376 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.563 6.326 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.951 7.309 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.602 8.370 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.905 8.489 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.703 7.048 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.673 5.798 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.746 6.454 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.161 7.241 7.348 1.00 0.00 H new ATOM 396 N GLU A 26 -2.646 3.806 8.117 1.00 0.00 N ATOM 397 CA GLU A 26 -1.526 3.927 9.034 1.00 0.00 C ATOM 398 C GLU A 26 -0.388 2.996 8.609 1.00 0.00 C ATOM 399 O GLU A 26 0.784 3.346 8.731 1.00 0.00 O ATOM 400 CB GLU A 26 -1.960 3.639 10.473 1.00 0.00 C ATOM 401 CG GLU A 26 -2.164 4.938 11.254 1.00 0.00 C ATOM 402 CD GLU A 26 -3.026 5.925 10.463 1.00 0.00 C ATOM 403 OE1 GLU A 26 -4.151 5.525 10.092 1.00 0.00 O ATOM 404 OE2 GLU A 26 -2.540 7.056 10.246 1.00 0.00 O ATOM 0 H GLU A 26 -3.533 3.562 8.557 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.163 4.954 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.886 3.064 10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.206 3.027 10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.639 4.720 12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.197 5.390 11.474 1.00 0.00 H new ATOM 411 N GLU A 27 -0.775 1.828 8.117 1.00 0.00 N ATOM 412 CA GLU A 27 0.197 0.844 7.673 1.00 0.00 C ATOM 413 C GLU A 27 0.897 1.327 6.401 1.00 0.00 C ATOM 414 O GLU A 27 2.102 1.577 6.408 1.00 0.00 O ATOM 415 CB GLU A 27 -0.463 -0.519 7.452 1.00 0.00 C ATOM 416 CG GLU A 27 -0.156 -1.471 8.609 1.00 0.00 C ATOM 417 CD GLU A 27 0.693 -2.653 8.137 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.275 -3.292 7.148 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.742 -2.889 8.775 1.00 0.00 O ATOM 0 H GLU A 27 -1.749 1.541 8.016 1.00 0.00 H new ATOM 0 HA GLU A 27 0.947 0.724 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.541 -0.393 7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.108 -0.951 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.370 -0.933 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.088 -1.837 9.040 1.00 0.00 H new ATOM 426 N LEU A 28 0.113 1.443 5.340 1.00 0.00 N ATOM 427 CA LEU A 28 0.643 1.891 4.063 1.00 0.00 C ATOM 428 C LEU A 28 1.561 3.094 4.291 1.00 0.00 C ATOM 429 O LEU A 28 2.661 3.152 3.743 1.00 0.00 O ATOM 430 CB LEU A 28 -0.495 2.164 3.077 1.00 0.00 C ATOM 431 CG LEU A 28 -0.122 2.119 1.594 1.00 0.00 C ATOM 432 CD1 LEU A 28 1.117 1.251 1.366 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.308 1.658 0.744 1.00 0.00 C ATOM 0 H LEU A 28 -0.885 1.235 5.338 1.00 0.00 H new ATOM 0 HA LEU A 28 1.249 1.109 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.286 1.435 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.912 3.147 3.297 1.00 0.00 H new ATOM 0 HG LEU A 28 0.130 3.130 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.360 1.236 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.957 1.662 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.917 0.235 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.016 1.635 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.614 0.660 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.140 2.350 0.874 1.00 0.00 H new ATOM 445 N LYS A 29 1.075 4.024 5.100 1.00 0.00 N ATOM 446 CA LYS A 29 1.839 5.221 5.407 1.00 0.00 C ATOM 447 C LYS A 29 3.301 4.841 5.649 1.00 0.00 C ATOM 448 O LYS A 29 4.197 5.346 4.974 1.00 0.00 O ATOM 449 CB LYS A 29 1.200 5.980 6.572 1.00 0.00 C ATOM 450 CG LYS A 29 1.923 7.304 6.826 1.00 0.00 C ATOM 451 CD LYS A 29 0.978 8.334 7.449 1.00 0.00 C ATOM 452 CE LYS A 29 1.748 9.567 7.925 1.00 0.00 C ATOM 453 NZ LYS A 29 1.518 10.707 7.009 1.00 0.00 N ATOM 0 H LYS A 29 0.162 3.973 5.552 1.00 0.00 H new ATOM 0 HA LYS A 29 1.824 5.909 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.149 6.171 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.232 5.366 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.773 7.137 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.321 7.691 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.225 8.631 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.448 7.885 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.432 9.834 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.813 9.341 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.048 11.536 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.841 10.455 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.503 10.932 6.983 1.00 0.00 H new ATOM 467 N LEU A 30 3.497 3.954 6.613 1.00 0.00 N ATOM 468 CA LEU A 30 4.835 3.500 6.952 1.00 0.00 C ATOM 469 C LEU A 30 5.525 2.975 5.692 1.00 0.00 C ATOM 470 O LEU A 30 6.598 3.452 5.323 1.00 0.00 O ATOM 471 CB LEU A 30 4.782 2.482 8.093 1.00 0.00 C ATOM 472 CG LEU A 30 4.131 2.963 9.392 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.541 2.078 10.571 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.442 4.439 9.647 1.00 0.00 C ATOM 0 H LEU A 30 2.751 3.537 7.170 1.00 0.00 H new ATOM 0 HA LEU A 30 5.436 4.330 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.242 1.602 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.800 2.163 8.317 1.00 0.00 H new ATOM 0 HG LEU A 30 3.050 2.876 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.065 2.441 11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.227 1.052 10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.624 2.110 10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.968 4.756 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.521 4.575 9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.060 5.039 8.821 1.00 0.00 H new ATOM 486 N LEU A 31 4.882 2.001 5.065 1.00 0.00 N ATOM 487 CA LEU A 31 5.421 1.407 3.853 1.00 0.00 C ATOM 488 C LEU A 31 5.847 2.518 2.891 1.00 0.00 C ATOM 489 O LEU A 31 7.033 2.676 2.605 1.00 0.00 O ATOM 490 CB LEU A 31 4.420 0.421 3.249 1.00 0.00 C ATOM 491 CG LEU A 31 5.017 -0.716 2.416 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.683 -2.077 3.028 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.572 -0.619 0.956 1.00 0.00 C ATOM 0 H LEU A 31 3.993 1.608 5.373 1.00 0.00 H new ATOM 0 HA LEU A 31 6.312 0.822 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.837 -0.016 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.725 0.978 2.621 1.00 0.00 H new ATOM 0 HG LEU A 31 6.102 -0.615 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.119 -2.867 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.091 -2.132 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.601 -2.203 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.010 -1.439 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.485 -0.680 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.903 0.331 0.537 1.00 0.00 H new ATOM 505 N LEU A 32 4.856 3.260 2.418 1.00 0.00 N ATOM 506 CA LEU A 32 5.114 4.352 1.495 1.00 0.00 C ATOM 507 C LEU A 32 6.228 5.237 2.056 1.00 0.00 C ATOM 508 O LEU A 32 6.894 5.952 1.308 1.00 0.00 O ATOM 509 CB LEU A 32 3.821 5.111 1.189 1.00 0.00 C ATOM 510 CG LEU A 32 2.710 4.300 0.517 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.465 5.160 0.291 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.207 3.659 -0.780 1.00 0.00 C ATOM 0 H LEU A 32 3.873 3.126 2.657 1.00 0.00 H new ATOM 0 HA LEU A 32 5.465 3.966 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.433 5.518 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.064 5.959 0.548 1.00 0.00 H new ATOM 0 HG LEU A 32 2.425 3.489 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.691 4.560 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.098 5.528 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.718 6.005 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.398 3.089 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.536 4.438 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.041 2.993 -0.560 1.00 0.00 H new ATOM 524 N GLN A 33 6.398 5.160 3.368 1.00 0.00 N ATOM 525 CA GLN A 33 7.420 5.945 4.037 1.00 0.00 C ATOM 526 C GLN A 33 8.811 5.405 3.698 1.00 0.00 C ATOM 527 O GLN A 33 9.655 6.135 3.181 1.00 0.00 O ATOM 528 CB GLN A 33 7.194 5.964 5.550 1.00 0.00 C ATOM 529 CG GLN A 33 7.270 7.391 6.098 1.00 0.00 C ATOM 530 CD GLN A 33 6.261 7.598 7.230 1.00 0.00 C ATOM 531 OE1 GLN A 33 5.462 8.520 7.222 1.00 0.00 O ATOM 532 NE2 GLN A 33 6.343 6.693 8.200 1.00 0.00 N ATOM 0 H GLN A 33 5.845 4.566 3.985 1.00 0.00 H new ATOM 0 HA GLN A 33 7.353 6.972 3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.220 5.533 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.942 5.342 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.277 7.591 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.074 8.103 5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.036 5.946 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.713 6.745 9.001 1.00 0.00 H new ATOM 541 N THR A 34 9.007 4.131 4.004 1.00 0.00 N ATOM 542 CA THR A 34 10.281 3.485 3.738 1.00 0.00 C ATOM 543 C THR A 34 10.316 2.943 2.307 1.00 0.00 C ATOM 544 O THR A 34 11.253 3.216 1.559 1.00 0.00 O ATOM 545 CB THR A 34 10.495 2.406 4.801 1.00 0.00 C ATOM 546 OG1 THR A 34 11.395 3.007 5.729 1.00 0.00 O ATOM 547 CG2 THR A 34 11.266 1.198 4.264 1.00 0.00 C ATOM 0 H THR A 34 8.305 3.529 4.434 1.00 0.00 H new ATOM 0 HA THR A 34 11.105 4.195 3.804 1.00 0.00 H new ATOM 0 HB THR A 34 9.529 2.078 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.587 2.376 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.390 0.463 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.712 0.750 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.246 1.519 3.911 1.00 0.00 H new ATOM 555 N GLU A 35 9.283 2.185 1.971 1.00 0.00 N ATOM 556 CA GLU A 35 9.183 1.602 0.643 1.00 0.00 C ATOM 557 C GLU A 35 9.466 2.661 -0.424 1.00 0.00 C ATOM 558 O GLU A 35 10.456 2.569 -1.149 1.00 0.00 O ATOM 559 CB GLU A 35 7.812 0.959 0.428 1.00 0.00 C ATOM 560 CG GLU A 35 7.646 0.492 -1.020 1.00 0.00 C ATOM 561 CD GLU A 35 7.202 -0.971 -1.077 1.00 0.00 C ATOM 562 OE1 GLU A 35 7.773 -1.768 -0.301 1.00 0.00 O ATOM 563 OE2 GLU A 35 6.301 -1.259 -1.894 1.00 0.00 O ATOM 0 H GLU A 35 8.508 1.961 2.595 1.00 0.00 H new ATOM 0 HA GLU A 35 9.933 0.816 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.694 0.111 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.028 1.675 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.911 1.119 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.589 0.611 -1.554 1.00 0.00 H new ATOM 570 N PHE A 36 8.579 3.643 -0.487 1.00 0.00 N ATOM 571 CA PHE A 36 8.721 4.719 -1.453 1.00 0.00 C ATOM 572 C PHE A 36 8.120 6.020 -0.917 1.00 0.00 C ATOM 573 O PHE A 36 6.923 6.263 -1.064 1.00 0.00 O ATOM 574 CB PHE A 36 7.954 4.297 -2.708 1.00 0.00 C ATOM 575 CG PHE A 36 8.765 3.423 -3.668 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.832 3.948 -4.328 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.418 2.123 -3.861 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.584 3.137 -5.219 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.170 1.312 -4.752 1.00 0.00 C ATOM 580 CZ PHE A 36 10.237 1.837 -5.412 1.00 0.00 C ATOM 0 H PHE A 36 7.759 3.716 0.115 1.00 0.00 H new ATOM 0 HA PHE A 36 9.776 4.896 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.057 3.754 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.624 5.191 -3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.107 4.981 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.570 1.707 -3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.432 3.553 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.895 0.279 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.809 1.221 -6.090 1.00 0.00 H new ATOM 590 N PRO A 37 9.002 6.845 -0.291 1.00 0.00 N ATOM 591 CA PRO A 37 8.572 8.115 0.268 1.00 0.00 C ATOM 592 C PRO A 37 8.337 9.148 -0.836 1.00 0.00 C ATOM 593 O PRO A 37 7.848 10.245 -0.571 1.00 0.00 O ATOM 594 CB PRO A 37 9.677 8.516 1.232 1.00 0.00 C ATOM 595 CG PRO A 37 10.894 7.696 0.834 1.00 0.00 C ATOM 596 CD PRO A 37 10.427 6.590 -0.098 1.00 0.00 C ATOM 0 HA PRO A 37 7.616 8.044 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.886 9.584 1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.389 8.312 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.633 8.326 0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.375 7.274 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.966 6.616 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.598 5.606 0.338 1.00 0.00 H new ATOM 604 N SER A 38 8.697 8.761 -2.051 1.00 0.00 N ATOM 605 CA SER A 38 8.532 9.640 -3.196 1.00 0.00 C ATOM 606 C SER A 38 7.084 9.594 -3.686 1.00 0.00 C ATOM 607 O SER A 38 6.606 10.540 -4.312 1.00 0.00 O ATOM 608 CB SER A 38 9.488 9.256 -4.327 1.00 0.00 C ATOM 609 OG SER A 38 10.533 10.211 -4.491 1.00 0.00 O ATOM 0 H SER A 38 9.102 7.850 -2.267 1.00 0.00 H new ATOM 0 HA SER A 38 8.771 10.657 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.921 8.277 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.930 9.166 -5.259 1.00 0.00 H new ATOM 0 HG SER A 38 11.122 9.929 -5.221 1.00 0.00 H new ATOM 615 N LEU A 39 6.425 8.485 -3.384 1.00 0.00 N ATOM 616 CA LEU A 39 5.040 8.304 -3.786 1.00 0.00 C ATOM 617 C LEU A 39 4.141 9.183 -2.915 1.00 0.00 C ATOM 618 O LEU A 39 3.018 9.504 -3.302 1.00 0.00 O ATOM 619 CB LEU A 39 4.664 6.821 -3.758 1.00 0.00 C ATOM 620 CG LEU A 39 4.191 6.223 -5.085 1.00 0.00 C ATOM 621 CD1 LEU A 39 4.129 4.697 -5.007 1.00 0.00 C ATOM 622 CD2 LEU A 39 2.854 6.830 -5.514 1.00 0.00 C ATOM 0 H LEU A 39 6.824 7.703 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 39 4.897 8.626 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.529 6.254 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.876 6.680 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 39 4.921 6.477 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.790 4.297 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.120 4.304 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.433 4.401 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.540 6.388 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.101 6.628 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.966 7.907 -5.637 1.00 0.00 H new ATOM 634 N LEU A 40 4.669 9.549 -1.756 1.00 0.00 N ATOM 635 CA LEU A 40 3.928 10.385 -0.827 1.00 0.00 C ATOM 636 C LEU A 40 3.908 11.823 -1.347 1.00 0.00 C ATOM 637 O LEU A 40 2.857 12.462 -1.375 1.00 0.00 O ATOM 638 CB LEU A 40 4.498 10.250 0.586 1.00 0.00 C ATOM 639 CG LEU A 40 4.532 8.833 1.163 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.575 8.720 2.277 1.00 0.00 C ATOM 641 CD2 LEU A 40 3.143 8.398 1.633 1.00 0.00 C ATOM 0 H LEU A 40 5.601 9.282 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 40 2.891 10.055 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.514 10.645 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.911 10.879 1.255 1.00 0.00 H new ATOM 0 HG LEU A 40 4.832 8.149 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.579 7.703 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.561 8.959 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.329 9.418 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.196 7.388 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.790 9.081 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.452 8.415 0.790 1.00 0.00 H new ATOM 653 N LYS A 41 5.081 12.291 -1.747 1.00 0.00 N ATOM 654 CA LYS A 41 5.212 13.643 -2.264 1.00 0.00 C ATOM 655 C LYS A 41 4.411 13.766 -3.562 1.00 0.00 C ATOM 656 O LYS A 41 3.943 14.851 -3.906 1.00 0.00 O ATOM 657 CB LYS A 41 6.687 14.019 -2.414 1.00 0.00 C ATOM 658 CG LYS A 41 7.269 13.450 -3.710 1.00 0.00 C ATOM 659 CD LYS A 41 7.550 14.563 -4.720 1.00 0.00 C ATOM 660 CE LYS A 41 6.530 14.538 -5.861 1.00 0.00 C ATOM 661 NZ LYS A 41 7.086 15.191 -7.068 1.00 0.00 N ATOM 0 H LYS A 41 5.950 11.758 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 41 4.794 14.363 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.792 15.104 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.251 13.641 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.191 12.910 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.572 12.731 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.517 15.530 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.556 14.447 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.257 13.508 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.617 15.048 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.381 15.165 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.324 16.180 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.944 14.687 -7.371 1.00 0.00 H new ATOM 675 N GLY A 42 4.276 12.640 -4.247 1.00 0.00 N ATOM 676 CA GLY A 42 3.540 12.609 -5.499 1.00 0.00 C ATOM 677 C GLY A 42 2.242 13.413 -5.392 1.00 0.00 C ATOM 678 O GLY A 42 1.799 13.740 -4.292 1.00 0.00 O ATOM 0 H GLY A 42 4.664 11.742 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.159 13.015 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.312 11.577 -5.765 1.00 0.00 H new ATOM 682 N MET A 43 1.670 13.708 -6.550 1.00 0.00 N ATOM 683 CA MET A 43 0.432 14.467 -6.600 1.00 0.00 C ATOM 684 C MET A 43 -0.702 13.715 -5.899 1.00 0.00 C ATOM 685 O MET A 43 -1.734 14.301 -5.577 1.00 0.00 O ATOM 686 CB MET A 43 0.049 14.723 -8.059 1.00 0.00 C ATOM 687 CG MET A 43 1.045 15.673 -8.729 1.00 0.00 C ATOM 688 SD MET A 43 0.316 16.389 -10.192 1.00 0.00 S ATOM 689 CE MET A 43 1.782 17.016 -10.994 1.00 0.00 C ATOM 0 H MET A 43 2.041 13.435 -7.460 1.00 0.00 H new ATOM 0 HA MET A 43 0.588 15.414 -6.084 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.020 13.778 -8.602 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.953 15.149 -8.106 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.333 16.461 -8.033 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.954 15.133 -8.993 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.506 17.499 -11.931 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.271 17.741 -10.343 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.466 16.192 -11.198 1.00 0.00 H new ATOM 699 N SER A 44 -0.471 12.428 -5.684 1.00 0.00 N ATOM 700 CA SER A 44 -1.460 11.590 -5.028 1.00 0.00 C ATOM 701 C SER A 44 -1.083 11.391 -3.558 1.00 0.00 C ATOM 702 O SER A 44 -0.252 10.543 -3.236 1.00 0.00 O ATOM 703 CB SER A 44 -1.589 10.237 -5.731 1.00 0.00 C ATOM 704 OG SER A 44 -1.677 10.378 -7.146 1.00 0.00 O ATOM 0 H SER A 44 0.387 11.945 -5.953 1.00 0.00 H new ATOM 0 HA SER A 44 -2.426 12.091 -5.085 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.729 9.615 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.475 9.720 -5.362 1.00 0.00 H new ATOM 0 HG SER A 44 -1.757 9.493 -7.559 1.00 0.00 H new ATOM 710 N THR A 45 -1.714 12.185 -2.706 1.00 0.00 N ATOM 711 CA THR A 45 -1.456 12.106 -1.278 1.00 0.00 C ATOM 712 C THR A 45 -1.883 10.742 -0.733 1.00 0.00 C ATOM 713 O THR A 45 -2.539 9.969 -1.430 1.00 0.00 O ATOM 714 CB THR A 45 -2.168 13.281 -0.604 1.00 0.00 C ATOM 715 OG1 THR A 45 -3.534 13.120 -0.977 1.00 0.00 O ATOM 716 CG2 THR A 45 -1.773 14.630 -1.207 1.00 0.00 C ATOM 0 H THR A 45 -2.403 12.886 -2.977 1.00 0.00 H new ATOM 0 HA THR A 45 -0.390 12.186 -1.063 1.00 0.00 H new ATOM 0 HB THR A 45 -1.940 13.280 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.068 13.840 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.307 15.429 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.699 14.779 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.031 14.645 -2.266 1.00 0.00 H new ATOM 724 N LEU A 46 -1.495 10.488 0.508 1.00 0.00 N ATOM 725 CA LEU A 46 -1.830 9.231 1.154 1.00 0.00 C ATOM 726 C LEU A 46 -3.329 8.966 0.998 1.00 0.00 C ATOM 727 O LEU A 46 -3.728 7.947 0.435 1.00 0.00 O ATOM 728 CB LEU A 46 -1.354 9.232 2.608 1.00 0.00 C ATOM 729 CG LEU A 46 -0.892 7.884 3.164 1.00 0.00 C ATOM 730 CD1 LEU A 46 0.382 8.042 3.997 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.012 7.203 3.953 1.00 0.00 C ATOM 0 H LEU A 46 -0.952 11.132 1.083 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.308 8.404 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.531 9.941 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.165 9.602 3.235 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.649 7.233 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.689 7.069 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.176 8.453 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.190 8.717 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.657 6.247 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.310 7.840 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.868 7.036 3.299 1.00 0.00 H new ATOM 743 N ASP A 47 -4.119 9.900 1.507 1.00 0.00 N ATOM 744 CA ASP A 47 -5.565 9.780 1.431 1.00 0.00 C ATOM 745 C ASP A 47 -5.963 9.339 0.021 1.00 0.00 C ATOM 746 O ASP A 47 -6.779 8.434 -0.143 1.00 0.00 O ATOM 747 CB ASP A 47 -6.245 11.120 1.717 1.00 0.00 C ATOM 748 CG ASP A 47 -6.717 11.311 3.160 1.00 0.00 C ATOM 749 OD1 ASP A 47 -7.456 10.423 3.637 1.00 0.00 O ATOM 750 OD2 ASP A 47 -6.329 12.341 3.752 1.00 0.00 O ATOM 0 H ASP A 47 -3.785 10.743 1.974 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.882 9.049 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.551 11.923 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.103 11.224 1.053 1.00 0.00 H new ATOM 755 N GLU A 48 -5.367 10.000 -0.961 1.00 0.00 N ATOM 756 CA GLU A 48 -5.649 9.688 -2.352 1.00 0.00 C ATOM 757 C GLU A 48 -5.403 8.202 -2.623 1.00 0.00 C ATOM 758 O GLU A 48 -6.209 7.546 -3.280 1.00 0.00 O ATOM 759 CB GLU A 48 -4.814 10.562 -3.290 1.00 0.00 C ATOM 760 CG GLU A 48 -5.697 11.566 -4.034 1.00 0.00 C ATOM 761 CD GLU A 48 -5.102 11.911 -5.401 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.830 10.956 -6.160 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.932 13.123 -5.656 1.00 0.00 O ATOM 0 H GLU A 48 -4.690 10.750 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.699 9.904 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.055 11.094 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.288 9.932 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.697 11.151 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.802 12.474 -3.440 1.00 0.00 H new ATOM 770 N LEU A 49 -4.285 7.716 -2.103 1.00 0.00 N ATOM 771 CA LEU A 49 -3.923 6.320 -2.280 1.00 0.00 C ATOM 772 C LEU A 49 -4.948 5.437 -1.567 1.00 0.00 C ATOM 773 O LEU A 49 -5.653 4.657 -2.206 1.00 0.00 O ATOM 774 CB LEU A 49 -2.482 6.079 -1.827 1.00 0.00 C ATOM 775 CG LEU A 49 -1.555 5.428 -2.856 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.805 6.488 -3.666 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.601 4.438 -2.186 1.00 0.00 C ATOM 0 H LEU A 49 -3.618 8.264 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.950 6.050 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.050 7.035 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.502 5.450 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.168 4.861 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.153 5.999 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.522 7.119 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.205 7.102 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.046 3.990 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.008 4.962 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.177 3.656 -1.691 1.00 0.00 H new ATOM 789 N PHE A 50 -4.999 5.589 -0.252 1.00 0.00 N ATOM 790 CA PHE A 50 -5.927 4.814 0.556 1.00 0.00 C ATOM 791 C PHE A 50 -7.293 4.711 -0.125 1.00 0.00 C ATOM 792 O PHE A 50 -7.892 3.638 -0.164 1.00 0.00 O ATOM 793 CB PHE A 50 -6.087 5.554 1.885 1.00 0.00 C ATOM 794 CG PHE A 50 -6.548 4.664 3.041 1.00 0.00 C ATOM 795 CD1 PHE A 50 -5.961 3.454 3.244 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.545 5.082 3.866 1.00 0.00 C ATOM 797 CE1 PHE A 50 -6.388 2.627 4.316 1.00 0.00 C ATOM 798 CE2 PHE A 50 -7.973 4.255 4.939 1.00 0.00 C ATOM 799 CZ PHE A 50 -7.386 3.046 5.141 1.00 0.00 C ATOM 0 H PHE A 50 -4.413 6.237 0.275 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.544 3.803 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.135 6.013 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.805 6.363 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.169 3.122 2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.011 6.043 3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.921 1.666 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.765 4.587 5.594 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.712 2.417 5.957 1.00 0.00 H new ATOM 809 N GLU A 51 -7.746 5.842 -0.646 1.00 0.00 N ATOM 810 CA GLU A 51 -9.030 5.893 -1.323 1.00 0.00 C ATOM 811 C GLU A 51 -8.926 5.248 -2.707 1.00 0.00 C ATOM 812 O GLU A 51 -9.746 4.405 -3.066 1.00 0.00 O ATOM 813 CB GLU A 51 -9.540 7.332 -1.426 1.00 0.00 C ATOM 814 CG GLU A 51 -10.765 7.544 -0.534 1.00 0.00 C ATOM 815 CD GLU A 51 -10.656 8.857 0.244 1.00 0.00 C ATOM 816 OE1 GLU A 51 -10.039 9.794 -0.307 1.00 0.00 O ATOM 817 OE2 GLU A 51 -11.193 8.893 1.373 1.00 0.00 O ATOM 0 H GLU A 51 -7.246 6.730 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.752 5.328 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.749 8.024 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.796 7.558 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.667 7.553 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.861 6.711 0.163 1.00 0.00 H new ATOM 824 N GLU A 52 -7.910 5.670 -3.446 1.00 0.00 N ATOM 825 CA GLU A 52 -7.688 5.145 -4.782 1.00 0.00 C ATOM 826 C GLU A 52 -7.591 3.618 -4.743 1.00 0.00 C ATOM 827 O GLU A 52 -8.300 2.928 -5.475 1.00 0.00 O ATOM 828 CB GLU A 52 -6.436 5.758 -5.412 1.00 0.00 C ATOM 829 CG GLU A 52 -6.295 5.335 -6.875 1.00 0.00 C ATOM 830 CD GLU A 52 -5.139 6.076 -7.551 1.00 0.00 C ATOM 831 OE1 GLU A 52 -3.988 5.843 -7.123 1.00 0.00 O ATOM 832 OE2 GLU A 52 -5.433 6.859 -8.480 1.00 0.00 O ATOM 0 H GLU A 52 -7.232 6.370 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.539 5.420 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.487 6.845 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.554 5.447 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.125 4.260 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.224 5.540 -7.408 1.00 0.00 H new ATOM 839 N LEU A 53 -6.708 3.135 -3.882 1.00 0.00 N ATOM 840 CA LEU A 53 -6.509 1.703 -3.737 1.00 0.00 C ATOM 841 C LEU A 53 -7.850 1.035 -3.426 1.00 0.00 C ATOM 842 O LEU A 53 -8.341 0.226 -4.212 1.00 0.00 O ATOM 843 CB LEU A 53 -5.423 1.415 -2.699 1.00 0.00 C ATOM 844 CG LEU A 53 -4.083 2.122 -2.916 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.364 2.354 -1.585 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.212 1.353 -3.911 1.00 0.00 C ATOM 0 H LEU A 53 -6.122 3.710 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.147 1.272 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.804 1.695 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.245 0.340 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.280 3.102 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.415 2.858 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.986 2.974 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.179 1.396 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.266 1.877 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.020 0.351 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.729 1.283 -4.868 1.00 0.00 H new ATOM 858 N ASP A 54 -8.403 1.398 -2.279 1.00 0.00 N ATOM 859 CA ASP A 54 -9.678 0.844 -1.854 1.00 0.00 C ATOM 860 C ASP A 54 -10.803 1.478 -2.675 1.00 0.00 C ATOM 861 O ASP A 54 -11.203 2.612 -2.415 1.00 0.00 O ATOM 862 CB ASP A 54 -9.944 1.143 -0.378 1.00 0.00 C ATOM 863 CG ASP A 54 -11.415 1.083 0.039 1.00 0.00 C ATOM 864 OD1 ASP A 54 -11.935 -0.050 0.125 1.00 0.00 O ATOM 865 OD2 ASP A 54 -11.985 2.173 0.263 1.00 0.00 O ATOM 0 H ASP A 54 -7.992 2.069 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.643 -0.235 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.381 0.433 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.557 2.136 -0.148 1.00 0.00 H new ATOM 947 N VAL A 61 -7.213 -1.304 2.395 1.00 0.00 N ATOM 948 CA VAL A 61 -6.534 -1.761 1.194 1.00 0.00 C ATOM 949 C VAL A 61 -6.260 -3.262 1.308 1.00 0.00 C ATOM 950 O VAL A 61 -6.312 -3.825 2.400 1.00 0.00 O ATOM 951 CB VAL A 61 -5.265 -0.937 0.965 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.511 -1.424 -0.274 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.591 0.554 0.858 1.00 0.00 C ATOM 0 HA VAL A 61 -7.165 -1.612 0.318 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.615 -1.076 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.613 -0.822 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.230 -2.469 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.152 -1.329 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.672 1.117 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.270 0.719 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.064 0.890 1.781 1.00 0.00 H new ATOM 963 N SER A 62 -5.974 -3.867 0.165 1.00 0.00 N ATOM 964 CA SER A 62 -5.691 -5.292 0.122 1.00 0.00 C ATOM 965 C SER A 62 -4.510 -5.563 -0.811 1.00 0.00 C ATOM 966 O SER A 62 -4.183 -4.737 -1.661 1.00 0.00 O ATOM 967 CB SER A 62 -6.919 -6.083 -0.332 1.00 0.00 C ATOM 968 OG SER A 62 -7.688 -5.369 -1.297 1.00 0.00 O ATOM 0 H SER A 62 -5.932 -3.397 -0.739 1.00 0.00 H new ATOM 0 HA SER A 62 -5.433 -5.620 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.600 -7.036 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.543 -6.311 0.532 1.00 0.00 H new ATOM 0 HG SER A 62 -8.462 -5.908 -1.562 1.00 0.00 H new ATOM 974 N PHE A 63 -3.901 -6.724 -0.619 1.00 0.00 N ATOM 975 CA PHE A 63 -2.762 -7.115 -1.433 1.00 0.00 C ATOM 976 C PHE A 63 -3.066 -6.940 -2.922 1.00 0.00 C ATOM 977 O PHE A 63 -2.212 -6.491 -3.685 1.00 0.00 O ATOM 978 CB PHE A 63 -2.497 -8.595 -1.150 1.00 0.00 C ATOM 979 CG PHE A 63 -1.451 -9.227 -2.071 1.00 0.00 C ATOM 980 CD1 PHE A 63 -1.759 -9.489 -3.370 1.00 0.00 C ATOM 981 CD2 PHE A 63 -0.215 -9.527 -1.591 1.00 0.00 C ATOM 982 CE1 PHE A 63 -0.788 -10.076 -4.224 1.00 0.00 C ATOM 983 CE2 PHE A 63 0.755 -10.114 -2.446 1.00 0.00 C ATOM 984 CZ PHE A 63 0.448 -10.376 -3.744 1.00 0.00 C ATOM 0 H PHE A 63 -4.175 -7.406 0.088 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.900 -6.493 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.169 -8.704 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.432 -9.146 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.741 -9.251 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.029 -9.319 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.032 -10.284 -5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.737 -10.352 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.186 -10.822 -4.394 1.00 0.00 H new ATOM 994 N GLU A 64 -4.286 -7.303 -3.291 1.00 0.00 N ATOM 995 CA GLU A 64 -4.714 -7.191 -4.675 1.00 0.00 C ATOM 996 C GLU A 64 -4.821 -5.720 -5.080 1.00 0.00 C ATOM 997 O GLU A 64 -4.071 -5.251 -5.936 1.00 0.00 O ATOM 998 CB GLU A 64 -6.040 -7.920 -4.900 1.00 0.00 C ATOM 999 CG GLU A 64 -5.833 -9.435 -4.938 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.502 -10.049 -6.170 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -7.750 -9.996 -6.224 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -5.750 -10.557 -7.030 1.00 0.00 O ATOM 0 H GLU A 64 -4.992 -7.675 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.964 -7.668 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.739 -7.665 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.488 -7.587 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.766 -9.660 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.244 -9.885 -4.034 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.760 -5.031 -4.447 1.00 0.00 N ATOM 1010 CA GLU A 65 -5.975 -3.623 -4.731 1.00 0.00 C ATOM 1011 C GLU A 65 -4.651 -2.859 -4.663 1.00 0.00 C ATOM 1012 O GLU A 65 -4.464 -1.869 -5.368 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.005 -3.021 -3.773 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.430 -3.312 -4.247 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.460 -2.773 -3.251 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.105 -2.693 -2.055 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.579 -2.454 -3.708 1.00 0.00 O ATOM 0 H GLU A 65 -6.380 -5.423 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.372 -3.533 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.860 -3.430 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.855 -1.944 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.592 -2.858 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.564 -4.387 -4.369 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.766 -3.349 -3.807 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.465 -2.725 -3.637 1.00 0.00 C ATOM 1026 C PHE A 66 -1.592 -2.931 -4.877 1.00 0.00 C ATOM 1027 O PHE A 66 -0.921 -2.005 -5.329 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.797 -3.402 -2.439 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.388 -2.885 -2.138 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.176 -1.554 -1.958 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.651 -3.757 -2.049 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.131 -1.074 -1.678 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.958 -3.278 -1.770 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.170 -1.946 -1.590 1.00 0.00 C ATOM 0 H PHE A 66 -3.924 -4.171 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.584 -1.652 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.422 -3.257 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.748 -4.475 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.002 -0.862 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.482 -4.814 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.299 -0.017 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.784 -3.971 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.164 -1.582 -1.377 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.629 -4.152 -5.391 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.850 -4.492 -6.569 1.00 0.00 C ATOM 1046 C GLN A 67 -1.006 -3.410 -7.639 1.00 0.00 C ATOM 1047 O GLN A 67 -0.126 -3.232 -8.480 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.250 -5.864 -7.114 1.00 0.00 C ATOM 1049 CG GLN A 67 -0.947 -6.968 -6.098 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.005 -8.016 -6.693 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -0.415 -9.072 -7.146 1.00 0.00 O ATOM 1052 NE2 GLN A 67 1.279 -7.668 -6.666 1.00 0.00 N ATOM 0 H GLN A 67 -2.187 -4.918 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 67 0.201 -4.544 -6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.313 -5.868 -7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.713 -6.061 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.496 -6.533 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.876 -7.445 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.555 -6.769 -6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.987 -8.301 -7.039 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.132 -2.715 -7.572 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.415 -1.655 -8.525 1.00 0.00 C ATOM 1063 C VAL A 68 -1.327 -0.583 -8.427 1.00 0.00 C ATOM 1064 O VAL A 68 -0.931 -0.001 -9.436 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.822 -1.102 -8.291 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.089 0.113 -9.181 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.880 -2.186 -8.510 1.00 0.00 C ATOM 0 H VAL A 68 -2.859 -2.865 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.398 -2.043 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.886 -0.776 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.096 0.486 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.364 0.895 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.997 -0.176 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.871 -1.767 -8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.816 -2.556 -9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.708 -3.008 -7.815 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.876 -0.354 -7.202 1.00 0.00 N ATOM 1078 CA LEU A 69 0.158 0.638 -6.959 1.00 0.00 C ATOM 1079 C LEU A 69 1.515 0.064 -7.370 1.00 0.00 C ATOM 1080 O LEU A 69 2.358 0.779 -7.910 1.00 0.00 O ATOM 1081 CB LEU A 69 0.107 1.119 -5.508 1.00 0.00 C ATOM 1082 CG LEU A 69 1.003 2.311 -5.165 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.364 3.625 -5.618 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.350 2.326 -3.675 1.00 0.00 C ATOM 0 H LEU A 69 -1.207 -0.838 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.012 1.524 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.923 1.384 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.380 0.286 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 69 1.940 2.203 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.021 4.456 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.211 3.602 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.596 3.754 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.988 3.183 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.434 2.398 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.876 1.408 -3.415 1.00 0.00 H new ATOM 1096 N VAL A 70 1.686 -1.221 -7.098 1.00 0.00 N ATOM 1097 CA VAL A 70 2.927 -1.899 -7.432 1.00 0.00 C ATOM 1098 C VAL A 70 3.259 -1.648 -8.904 1.00 0.00 C ATOM 1099 O VAL A 70 4.387 -1.287 -9.237 1.00 0.00 O ATOM 1100 CB VAL A 70 2.820 -3.386 -7.089 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.750 -4.221 -7.972 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.109 -3.628 -5.606 1.00 0.00 C ATOM 0 H VAL A 70 0.985 -1.811 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 70 3.751 -1.501 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 70 1.796 -3.703 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.654 -5.274 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.478 -4.084 -9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.781 -3.901 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.026 -4.693 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.117 -3.287 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.389 -3.077 -5.000 1.00 0.00 H new ATOM 1112 N LYS A 71 2.257 -1.848 -9.747 1.00 0.00 N ATOM 1113 CA LYS A 71 2.428 -1.648 -11.176 1.00 0.00 C ATOM 1114 C LYS A 71 2.994 -0.249 -11.426 1.00 0.00 C ATOM 1115 O LYS A 71 3.880 -0.074 -12.261 1.00 0.00 O ATOM 1116 CB LYS A 71 1.118 -1.924 -11.917 1.00 0.00 C ATOM 1117 CG LYS A 71 1.375 -2.676 -13.224 1.00 0.00 C ATOM 1118 CD LYS A 71 0.437 -2.189 -14.330 1.00 0.00 C ATOM 1119 CE LYS A 71 0.888 -0.832 -14.873 1.00 0.00 C ATOM 1120 NZ LYS A 71 -0.245 -0.130 -15.517 1.00 0.00 N ATOM 0 H LYS A 71 1.323 -2.147 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 71 3.149 -2.360 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.453 -2.509 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.611 -0.983 -12.129 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.411 -2.534 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.233 -3.745 -13.067 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.413 -2.919 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.579 -2.110 -13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.287 -0.223 -14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.694 -0.971 -15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.078 0.789 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.608 -0.705 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.002 0.020 -14.820 1.00 0.00 H new ATOM 1134 N LYS A 72 2.459 0.712 -10.687 1.00 0.00 N ATOM 1135 CA LYS A 72 2.899 2.090 -10.818 1.00 0.00 C ATOM 1136 C LYS A 72 4.311 2.227 -10.246 1.00 0.00 C ATOM 1137 O LYS A 72 5.087 3.071 -10.692 1.00 0.00 O ATOM 1138 CB LYS A 72 1.883 3.040 -10.181 1.00 0.00 C ATOM 1139 CG LYS A 72 0.568 3.041 -10.963 1.00 0.00 C ATOM 1140 CD LYS A 72 0.685 3.889 -12.231 1.00 0.00 C ATOM 1141 CE LYS A 72 -0.631 4.609 -12.533 1.00 0.00 C ATOM 1142 NZ LYS A 72 -0.603 5.987 -11.992 1.00 0.00 N ATOM 0 H LYS A 72 1.724 0.563 -9.995 1.00 0.00 H new ATOM 0 HA LYS A 72 2.951 2.374 -11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.697 2.741 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.293 4.050 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.298 2.019 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.233 3.429 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.484 4.620 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.958 3.254 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.798 4.638 -13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.463 4.057 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.503 6.462 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.465 5.953 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.179 6.515 -12.428 1.00 0.00 H new ATOM 1156 N ILE A 73 4.602 1.384 -9.266 1.00 0.00 N ATOM 1157 CA ILE A 73 5.908 1.399 -8.629 1.00 0.00 C ATOM 1158 C ILE A 73 6.936 0.760 -9.564 1.00 0.00 C ATOM 1159 O ILE A 73 8.044 1.271 -9.717 1.00 0.00 O ATOM 1160 CB ILE A 73 5.838 0.741 -7.249 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.215 1.687 -6.221 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.216 0.243 -6.809 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.483 0.905 -5.128 1.00 0.00 C ATOM 0 H ILE A 73 3.956 0.686 -8.898 1.00 0.00 H new ATOM 0 HA ILE A 73 6.233 2.424 -8.452 1.00 0.00 H new ATOM 0 HB ILE A 73 5.188 -0.131 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.993 2.305 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.519 2.362 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.138 -0.220 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.584 -0.490 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.908 1.084 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.050 1.602 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.690 0.307 -5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.187 0.249 -4.617 1.00 0.00 H new ATOM 1175 N SER A 74 6.531 -0.349 -10.166 1.00 0.00 N ATOM 1176 CA SER A 74 7.403 -1.064 -11.083 1.00 0.00 C ATOM 1177 C SER A 74 7.546 -0.279 -12.388 1.00 0.00 C ATOM 1178 O SER A 74 8.660 -0.002 -12.831 1.00 0.00 O ATOM 1179 CB SER A 74 6.871 -2.470 -11.365 1.00 0.00 C ATOM 1180 OG SER A 74 7.780 -3.237 -12.150 1.00 0.00 O ATOM 0 H SER A 74 5.611 -0.770 -10.037 1.00 0.00 H new ATOM 0 HA SER A 74 8.383 -1.163 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.684 -2.983 -10.422 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.915 -2.399 -11.884 1.00 0.00 H new ATOM 0 HG SER A 74 7.405 -4.129 -12.307 1.00 0.00 H new ATOM 1186 N GLN A 75 6.403 0.057 -12.968 1.00 0.00 N ATOM 1187 CA GLN A 75 6.388 0.805 -14.214 1.00 0.00 C ATOM 1188 C GLN A 75 6.812 2.254 -13.968 1.00 0.00 C ATOM 1189 O GLN A 75 7.786 2.727 -14.553 1.00 0.00 O ATOM 1190 CB GLN A 75 5.009 0.742 -14.873 1.00 0.00 C ATOM 1191 CG GLN A 75 5.131 0.466 -16.373 1.00 0.00 C ATOM 1192 CD GLN A 75 5.945 -0.803 -16.633 1.00 0.00 C ATOM 1193 OE1 GLN A 75 6.904 -0.813 -17.387 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.511 -1.870 -15.967 1.00 0.00 N ATOM 0 H GLN A 75 5.481 -0.175 -12.598 1.00 0.00 H new ATOM 0 HA GLN A 75 7.103 0.349 -14.898 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.413 -0.040 -14.403 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.483 1.683 -14.714 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.138 0.361 -16.809 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.607 1.314 -16.865 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.701 -1.792 -15.351 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.988 -2.766 -16.072 1.00 0.00 H new