USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 46:sc= 0.778! USER MOD Set 1.2: A 84 TYR OH : rot 35:sc= -2.21! USER MOD Set 2.1: A 11 SER OG : rot -168:sc= -8.36! USER MOD Set 2.2: A 59 GLN : amide:sc= -2.45! C(o=-11!,f=-14!) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -3.31! C(o=-3.3!,f=-6.5!) USER MOD Set 3.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.531 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -99:sc= -5.91! USER MOD Single : A 17 SER OG : rot 180:sc= 0.117 USER MOD Single : A 21 SER OG : rot 99:sc= 0.216 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.272 (180deg=-1.31!) USER MOD Single : A 23 MET CE :methyl -130:sc= -11! (180deg=-12.7!) USER MOD Single : A 26 GLN : amide:sc= -15.8! C(o=-16!,f=-21!) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= -0.0185! (180deg=-3.09!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.978 X(o=-0.98,f=-0.69) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00214 USER MOD Single : A 63 MET CE :methyl -172:sc= -1.62 (180deg=-1.9) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.317 F(o=-1.7!,f=-0.32) USER MOD Single : A 73 ASN :FLIP amide:sc= -2.32! C(o=-4.5!,f=-2.3!) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.197) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 4 5.113 10.886 6.111 1.00 0.00 N ATOM 56 CA LYS A 4 3.995 10.292 5.360 1.00 0.00 C ATOM 57 C LYS A 4 3.962 8.757 5.425 1.00 0.00 C ATOM 58 O LYS A 4 4.844 8.105 5.982 1.00 0.00 O ATOM 59 CB LYS A 4 3.935 10.782 3.901 1.00 0.00 C ATOM 60 CG LYS A 4 3.520 12.270 3.856 1.00 0.00 C ATOM 61 CD LYS A 4 3.179 12.821 2.478 1.00 0.00 C ATOM 62 CE LYS A 4 3.607 14.319 2.427 1.00 0.00 C ATOM 63 NZ LYS A 4 2.381 15.155 2.380 1.00 0.00 N ATOM 0 HA LYS A 4 3.098 10.648 5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.908 10.653 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.222 10.181 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.655 12.406 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.330 12.867 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.695 12.253 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.111 12.725 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.206 14.572 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.228 14.507 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.647 16.160 2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.829 14.914 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.807 14.978 3.229 1.00 0.00 H new ATOM 77 N HIS A 5 2.876 8.180 4.829 1.00 0.00 N ATOM 78 CA HIS A 5 2.529 6.768 4.892 1.00 0.00 C ATOM 79 C HIS A 5 2.080 6.161 3.546 1.00 0.00 C ATOM 80 O HIS A 5 1.121 6.613 2.932 1.00 0.00 O ATOM 81 CB HIS A 5 1.456 6.534 5.983 1.00 0.00 C ATOM 82 CG HIS A 5 1.698 7.399 7.244 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.788 8.182 7.856 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.892 7.546 7.839 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.434 8.841 8.827 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.674 8.418 8.879 1.00 0.00 N ATOM 0 H HIS A 5 2.210 8.723 4.279 1.00 0.00 H new ATOM 0 HA HIS A 5 3.448 6.243 5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.471 6.760 5.574 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.451 5.481 6.264 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.202 8.258 7.624 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.825 7.079 7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.003 9.599 9.464 1.00 0.00 H new ATOM 94 N ILE A 6 2.773 5.074 3.164 1.00 0.00 N ATOM 95 CA ILE A 6 2.306 4.031 2.207 1.00 0.00 C ATOM 96 C ILE A 6 1.735 2.845 2.986 1.00 0.00 C ATOM 97 O ILE A 6 2.444 1.930 3.404 1.00 0.00 O ATOM 98 CB ILE A 6 3.415 3.697 1.181 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.700 4.870 0.218 1.00 0.00 C ATOM 100 CG2 ILE A 6 3.206 2.361 0.479 1.00 0.00 C ATOM 101 CD1 ILE A 6 5.165 5.099 -0.168 1.00 0.00 C ATOM 0 H ILE A 6 3.709 4.882 3.521 1.00 0.00 H new ATOM 0 HA ILE A 6 1.482 4.397 1.594 1.00 0.00 H new ATOM 0 HB ILE A 6 4.330 3.562 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.128 4.708 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.320 5.785 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.019 2.189 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.192 1.560 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.257 2.376 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.234 5.949 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.750 5.302 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.555 4.209 -0.661 1.00 0.00 H new ATOM 113 N TYR A 7 0.369 2.847 3.146 1.00 0.00 N ATOM 114 CA TYR A 7 -0.463 1.822 3.729 1.00 0.00 C ATOM 115 C TYR A 7 -1.093 0.943 2.606 1.00 0.00 C ATOM 116 O TYR A 7 -1.596 1.437 1.601 1.00 0.00 O ATOM 117 CB TYR A 7 -1.606 2.407 4.595 1.00 0.00 C ATOM 118 CG TYR A 7 -1.152 3.155 5.849 1.00 0.00 C ATOM 119 CD1 TYR A 7 0.064 2.856 6.451 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.061 4.070 6.435 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.513 3.607 7.539 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.696 4.662 7.650 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.384 4.499 8.159 1.00 0.00 C ATOM 124 OH TYR A 7 0.016 5.211 9.233 1.00 0.00 O ATOM 0 H TYR A 7 -0.188 3.643 2.835 1.00 0.00 H new ATOM 0 HA TYR A 7 0.182 1.224 4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.196 3.086 3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.266 1.593 4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.664 2.040 6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.003 4.303 5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.527 3.506 7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.418 5.246 8.202 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.720 5.780 9.541 1.00 0.00 H new ATOM 134 N LEU A 8 -1.001 -0.368 2.857 1.00 0.00 N ATOM 135 CA LEU A 8 -1.028 -1.433 1.732 1.00 0.00 C ATOM 136 C LEU A 8 -1.686 -2.683 2.400 1.00 0.00 C ATOM 137 O LEU A 8 -1.128 -3.298 3.244 1.00 0.00 O ATOM 138 CB LEU A 8 0.501 -1.666 1.626 1.00 0.00 C ATOM 139 CG LEU A 8 1.191 -2.520 0.661 1.00 0.00 C ATOM 140 CD1 LEU A 8 2.098 -1.773 -0.409 1.00 0.00 C ATOM 141 CD2 LEU A 8 2.064 -3.622 1.351 1.00 0.00 C ATOM 0 H LEU A 8 -0.908 -0.757 3.795 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.532 -1.205 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.938 -0.675 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.808 -2.029 2.607 1.00 0.00 H new ATOM 0 HG LEU A 8 0.357 -2.965 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.559 -2.506 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.482 -1.091 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.876 -1.208 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.554 -4.228 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.819 -3.148 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.428 -4.258 1.966 1.00 0.00 H new ATOM 153 N PHE A 9 -2.952 -2.945 2.004 1.00 0.00 N ATOM 154 CA PHE A 9 -4.028 -3.586 2.775 1.00 0.00 C ATOM 155 C PHE A 9 -4.422 -4.931 2.218 1.00 0.00 C ATOM 156 O PHE A 9 -5.313 -5.057 1.349 1.00 0.00 O ATOM 157 CB PHE A 9 -5.227 -2.561 2.728 1.00 0.00 C ATOM 158 CG PHE A 9 -4.915 -1.213 3.400 1.00 0.00 C ATOM 159 CD1 PHE A 9 -4.325 -1.250 4.679 1.00 0.00 C ATOM 160 CD2 PHE A 9 -5.308 0.015 2.853 1.00 0.00 C ATOM 161 CE1 PHE A 9 -4.424 -0.131 5.533 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.294 1.170 3.644 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.713 1.120 4.929 1.00 0.00 C ATOM 0 H PHE A 9 -3.266 -2.693 1.067 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.708 -3.800 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.501 -2.384 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.094 -3.007 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.797 -2.134 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.622 0.071 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.286 -0.223 6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.723 2.090 3.275 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.488 2.036 5.454 1.00 0.00 H new ATOM 173 N SER A 10 -3.684 -6.031 2.581 1.00 0.00 N ATOM 174 CA SER A 10 -4.046 -7.400 2.396 1.00 0.00 C ATOM 175 C SER A 10 -4.389 -7.815 0.951 1.00 0.00 C ATOM 176 O SER A 10 -4.700 -7.026 0.068 1.00 0.00 O ATOM 177 CB SER A 10 -5.107 -7.865 3.387 1.00 0.00 C ATOM 178 OG SER A 10 -5.536 -9.209 3.140 1.00 0.00 O ATOM 0 H SER A 10 -2.775 -5.934 3.033 1.00 0.00 H new ATOM 0 HA SER A 10 -3.122 -7.935 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.710 -7.794 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.967 -7.197 3.334 1.00 0.00 H new ATOM 0 HG SER A 10 -6.214 -9.463 3.801 1.00 0.00 H new ATOM 184 N SER A 11 -4.318 -9.166 0.746 1.00 0.00 N ATOM 185 CA SER A 11 -4.791 -9.827 -0.507 1.00 0.00 C ATOM 186 C SER A 11 -4.575 -11.378 -0.357 1.00 0.00 C ATOM 187 O SER A 11 -4.246 -12.046 -1.329 1.00 0.00 O ATOM 188 CB SER A 11 -3.931 -9.329 -1.663 1.00 0.00 C ATOM 189 OG SER A 11 -4.687 -8.958 -2.823 1.00 0.00 O ATOM 0 H SER A 11 -3.937 -9.816 1.434 1.00 0.00 H new ATOM 0 HA SER A 11 -5.842 -9.603 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.350 -8.470 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.219 -10.108 -1.937 1.00 0.00 H new ATOM 0 HG SER A 11 -4.080 -8.831 -3.582 1.00 0.00 H new ATOM 195 N ALA A 12 -4.840 -11.884 0.860 1.00 0.00 N ATOM 196 CA ALA A 12 -4.899 -13.304 1.207 1.00 0.00 C ATOM 197 C ALA A 12 -3.686 -13.693 2.108 1.00 0.00 C ATOM 198 O ALA A 12 -3.360 -14.850 2.259 1.00 0.00 O ATOM 199 CB ALA A 12 -4.921 -14.179 -0.045 1.00 0.00 C ATOM 0 H ALA A 12 -5.027 -11.281 1.662 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.823 -13.475 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.965 -15.229 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.796 -13.932 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.018 -14.002 -0.629 1.00 0.00 H new ATOM 205 N GLY A 13 -3.016 -12.640 2.620 1.00 0.00 N ATOM 206 CA GLY A 13 -1.962 -12.751 3.654 1.00 0.00 C ATOM 207 C GLY A 13 -0.553 -12.723 3.064 1.00 0.00 C ATOM 208 O GLY A 13 -0.027 -11.653 2.699 1.00 0.00 O ATOM 0 H GLY A 13 -3.192 -11.679 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.070 -11.933 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.100 -13.678 4.210 1.00 0.00 H new ATOM 212 N MET A 14 0.092 -13.921 2.929 1.00 0.00 N ATOM 213 CA MET A 14 1.504 -14.043 2.566 1.00 0.00 C ATOM 214 C MET A 14 1.769 -13.639 1.084 1.00 0.00 C ATOM 215 O MET A 14 1.993 -14.441 0.226 1.00 0.00 O ATOM 216 CB MET A 14 2.039 -15.446 2.833 1.00 0.00 C ATOM 217 CG MET A 14 1.275 -16.200 3.933 1.00 0.00 C ATOM 218 SD MET A 14 2.368 -17.265 4.987 1.00 0.00 S ATOM 219 CE MET A 14 1.444 -17.170 6.533 1.00 0.00 C ATOM 0 H MET A 14 -0.370 -14.819 3.073 1.00 0.00 H new ATOM 0 HA MET A 14 2.042 -13.343 3.205 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.994 -16.024 1.910 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.090 -15.377 3.115 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.761 -15.479 4.568 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.508 -16.823 3.472 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.953 -17.757 7.298 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.380 -16.131 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.440 -17.565 6.381 1.00 0.00 H new ATOM 229 N SER A 15 1.650 -12.283 0.869 1.00 0.00 N ATOM 230 CA SER A 15 2.236 -11.583 -0.274 1.00 0.00 C ATOM 231 C SER A 15 2.218 -10.071 -0.117 1.00 0.00 C ATOM 232 O SER A 15 2.461 -9.273 -1.071 1.00 0.00 O ATOM 233 CB SER A 15 1.458 -12.023 -1.536 1.00 0.00 C ATOM 234 OG SER A 15 1.775 -11.194 -2.637 1.00 0.00 O ATOM 0 H SER A 15 1.138 -11.667 1.501 1.00 0.00 H new ATOM 0 HA SER A 15 3.290 -11.850 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.699 -13.059 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.386 -11.982 -1.341 1.00 0.00 H new ATOM 0 HG SER A 15 1.073 -10.520 -2.752 1.00 0.00 H new ATOM 240 N THR A 16 2.017 -9.607 1.133 1.00 0.00 N ATOM 241 CA THR A 16 1.668 -8.266 1.613 1.00 0.00 C ATOM 242 C THR A 16 2.655 -7.744 2.690 1.00 0.00 C ATOM 243 O THR A 16 3.509 -6.908 2.456 1.00 0.00 O ATOM 244 CB THR A 16 0.258 -8.087 2.125 1.00 0.00 C ATOM 245 OG1 THR A 16 -0.719 -8.082 0.985 1.00 0.00 O ATOM 246 CG2 THR A 16 -0.022 -6.901 3.017 1.00 0.00 C ATOM 0 H THR A 16 2.108 -10.247 1.922 1.00 0.00 H new ATOM 0 HA THR A 16 1.744 -7.673 0.702 1.00 0.00 H new ATOM 0 HB THR A 16 0.133 -8.950 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.511 -8.819 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.073 -6.903 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.600 -6.963 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.205 -5.980 2.480 1.00 0.00 H new ATOM 254 N SER A 17 2.509 -8.362 3.882 1.00 0.00 N ATOM 255 CA SER A 17 3.118 -7.842 5.134 1.00 0.00 C ATOM 256 C SER A 17 4.636 -7.713 4.992 1.00 0.00 C ATOM 257 O SER A 17 5.265 -6.788 5.517 1.00 0.00 O ATOM 258 CB SER A 17 2.767 -8.832 6.258 1.00 0.00 C ATOM 259 OG SER A 17 2.587 -10.169 5.710 1.00 0.00 O ATOM 0 H SER A 17 1.975 -9.222 4.008 1.00 0.00 H new ATOM 0 HA SER A 17 2.731 -6.848 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.560 -8.841 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.856 -8.512 6.763 1.00 0.00 H new ATOM 0 HG SER A 17 2.366 -10.792 6.433 1.00 0.00 H new ATOM 265 N LEU A 18 5.244 -8.608 4.174 1.00 0.00 N ATOM 266 CA LEU A 18 6.696 -8.771 3.982 1.00 0.00 C ATOM 267 C LEU A 18 7.194 -7.849 2.869 1.00 0.00 C ATOM 268 O LEU A 18 8.380 -7.759 2.589 1.00 0.00 O ATOM 269 CB LEU A 18 6.876 -10.272 3.594 1.00 0.00 C ATOM 270 CG LEU A 18 8.275 -10.877 3.727 1.00 0.00 C ATOM 271 CD1 LEU A 18 8.816 -11.566 2.443 1.00 0.00 C ATOM 272 CD2 LEU A 18 9.296 -9.825 4.256 1.00 0.00 C ATOM 0 H LEU A 18 4.705 -9.263 3.607 1.00 0.00 H new ATOM 0 HA LEU A 18 7.268 -8.510 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.196 -10.861 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.556 -10.392 2.559 1.00 0.00 H new ATOM 0 HG LEU A 18 8.162 -11.677 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.812 -11.964 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.149 -12.380 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.866 -10.838 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.281 -10.284 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.345 -8.985 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.977 -9.469 5.236 1.00 0.00 H new ATOM 284 N LEU A 19 6.204 -7.207 2.161 1.00 0.00 N ATOM 285 CA LEU A 19 6.417 -6.355 0.993 1.00 0.00 C ATOM 286 C LEU A 19 6.298 -4.870 1.420 1.00 0.00 C ATOM 287 O LEU A 19 6.821 -4.005 0.731 1.00 0.00 O ATOM 288 CB LEU A 19 5.258 -6.664 0.029 1.00 0.00 C ATOM 289 CG LEU A 19 4.426 -5.522 -0.540 1.00 0.00 C ATOM 290 CD1 LEU A 19 5.245 -4.736 -1.645 1.00 0.00 C ATOM 291 CD2 LEU A 19 3.064 -5.966 -1.107 1.00 0.00 C ATOM 0 H LEU A 19 5.219 -7.287 2.415 1.00 0.00 H new ATOM 0 HA LEU A 19 7.395 -6.530 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.674 -7.216 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.575 -7.338 0.546 1.00 0.00 H new ATOM 0 HG LEU A 19 4.208 -4.864 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.635 -3.924 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.153 -4.326 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.511 -5.417 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.530 -5.098 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.222 -6.683 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.475 -6.432 -0.317 1.00 0.00 H new ATOM 303 N VAL A 20 5.578 -4.579 2.510 1.00 0.00 N ATOM 304 CA VAL A 20 5.545 -3.263 3.228 1.00 0.00 C ATOM 305 C VAL A 20 6.809 -3.279 4.190 1.00 0.00 C ATOM 306 O VAL A 20 7.427 -2.288 4.417 1.00 0.00 O ATOM 307 CB VAL A 20 4.237 -3.207 4.018 1.00 0.00 C ATOM 308 CG1 VAL A 20 4.266 -3.687 5.454 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.499 -1.852 3.859 1.00 0.00 C ATOM 0 H VAL A 20 4.971 -5.272 2.948 1.00 0.00 H new ATOM 0 HA VAL A 20 5.583 -2.394 2.571 1.00 0.00 H new ATOM 0 HB VAL A 20 3.644 -3.980 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.272 -3.590 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.574 -4.732 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.973 -3.085 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.578 -1.869 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.139 -1.045 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.261 -1.688 2.808 1.00 0.00 H new ATOM 319 N SER A 21 6.987 -4.508 4.754 1.00 0.00 N ATOM 320 CA SER A 21 8.024 -4.762 5.773 1.00 0.00 C ATOM 321 C SER A 21 9.435 -4.792 5.220 1.00 0.00 C ATOM 322 O SER A 21 10.412 -4.350 5.915 1.00 0.00 O ATOM 323 CB SER A 21 7.707 -6.009 6.573 1.00 0.00 C ATOM 324 OG SER A 21 6.790 -5.740 7.673 1.00 0.00 O ATOM 0 H SER A 21 6.426 -5.326 4.516 1.00 0.00 H new ATOM 0 HA SER A 21 8.000 -3.905 6.446 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.271 -6.760 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.632 -6.430 6.968 1.00 0.00 H new ATOM 0 HG SER A 21 5.881 -5.996 7.411 1.00 0.00 H new ATOM 330 N LYS A 22 9.590 -5.200 3.965 1.00 0.00 N ATOM 331 CA LYS A 22 10.894 -5.112 3.209 1.00 0.00 C ATOM 332 C LYS A 22 11.008 -3.792 2.451 1.00 0.00 C ATOM 333 O LYS A 22 12.069 -3.219 2.263 1.00 0.00 O ATOM 334 CB LYS A 22 11.100 -6.334 2.356 1.00 0.00 C ATOM 335 CG LYS A 22 10.755 -6.104 0.871 1.00 0.00 C ATOM 336 CD LYS A 22 9.892 -7.245 0.290 1.00 0.00 C ATOM 337 CE LYS A 22 10.770 -8.541 0.301 1.00 0.00 C ATOM 338 NZ LYS A 22 12.081 -8.268 -0.287 1.00 0.00 N ATOM 0 H LYS A 22 8.831 -5.606 3.418 1.00 0.00 H new ATOM 0 HA LYS A 22 11.719 -5.105 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.139 -6.654 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.486 -7.147 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.223 -5.158 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.676 -6.018 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.990 -7.386 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.571 -7.006 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.889 -8.899 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.270 -9.332 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.506 -9.158 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.972 -7.618 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.699 -7.834 0.428 1.00 0.00 H new ATOM 352 N MET A 23 9.850 -3.382 1.867 1.00 0.00 N ATOM 353 CA MET A 23 9.651 -2.005 1.332 1.00 0.00 C ATOM 354 C MET A 23 10.113 -0.952 2.380 1.00 0.00 C ATOM 355 O MET A 23 10.867 -0.044 2.142 1.00 0.00 O ATOM 356 CB MET A 23 8.170 -1.816 0.981 1.00 0.00 C ATOM 357 CG MET A 23 7.926 -1.951 -0.546 1.00 0.00 C ATOM 358 SD MET A 23 6.952 -0.598 -1.281 1.00 0.00 S ATOM 359 CE MET A 23 5.581 -0.489 -0.106 1.00 0.00 C ATOM 0 H MET A 23 9.037 -3.987 1.754 1.00 0.00 H new ATOM 0 HA MET A 23 10.250 -1.866 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.572 -2.556 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.837 -0.834 1.318 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.890 -2.003 -1.052 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.415 -2.894 -0.737 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.635 -0.499 -0.648 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.617 -1.339 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.663 0.437 0.464 1.00 0.00 H new ATOM 369 N ARG A 24 9.555 -1.189 3.613 1.00 0.00 N ATOM 370 CA ARG A 24 10.032 -0.598 4.874 1.00 0.00 C ATOM 371 C ARG A 24 11.565 -0.711 4.978 1.00 0.00 C ATOM 372 O ARG A 24 12.238 0.204 5.423 1.00 0.00 O ATOM 373 CB ARG A 24 9.355 -1.232 6.061 1.00 0.00 C ATOM 374 CG ARG A 24 7.959 -0.580 6.354 1.00 0.00 C ATOM 375 CD ARG A 24 7.234 -1.331 7.470 1.00 0.00 C ATOM 376 NE ARG A 24 6.568 -0.363 8.358 1.00 0.00 N ATOM 377 CZ ARG A 24 6.374 -0.514 9.672 1.00 0.00 C ATOM 378 NH1 ARG A 24 6.764 -1.595 10.364 1.00 0.00 N ATOM 379 NH2 ARG A 24 5.807 0.503 10.399 1.00 0.00 N ATOM 0 H ARG A 24 8.753 -1.806 3.741 1.00 0.00 H new ATOM 0 HA ARG A 24 9.770 0.460 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.226 -2.299 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.993 -1.133 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.092 0.464 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.351 -0.588 5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.500 -2.016 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.943 -1.934 8.038 1.00 0.00 H new ATOM 0 HE ARG A 24 6.225 0.498 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.238 -2.362 9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.586 -1.650 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.535 1.370 9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.657 0.391 11.402 1.00 0.00 H new ATOM 393 N ALA A 25 12.058 -1.901 4.615 1.00 0.00 N ATOM 394 CA ALA A 25 13.436 -2.215 4.355 1.00 0.00 C ATOM 395 C ALA A 25 14.154 -1.355 3.333 1.00 0.00 C ATOM 396 O ALA A 25 15.391 -1.278 3.363 1.00 0.00 O ATOM 397 CB ALA A 25 13.730 -3.701 4.195 1.00 0.00 C ATOM 0 H ALA A 25 11.451 -2.712 4.492 1.00 0.00 H new ATOM 0 HA ALA A 25 13.896 -1.916 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.793 -3.843 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.454 -4.227 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.153 -4.098 3.360 1.00 0.00 H new ATOM 403 N GLN A 26 13.440 -0.723 2.368 1.00 0.00 N ATOM 404 CA GLN A 26 13.878 0.344 1.488 1.00 0.00 C ATOM 405 C GLN A 26 13.208 1.701 1.785 1.00 0.00 C ATOM 406 O GLN A 26 13.340 2.660 1.023 1.00 0.00 O ATOM 407 CB GLN A 26 13.780 -0.031 0.053 1.00 0.00 C ATOM 408 CG GLN A 26 12.609 -0.827 -0.484 1.00 0.00 C ATOM 409 CD GLN A 26 13.086 -2.228 -0.997 1.00 0.00 C ATOM 410 OE1 GLN A 26 13.788 -2.405 -1.965 1.00 0.00 O ATOM 411 NE2 GLN A 26 12.701 -3.270 -0.228 1.00 0.00 N ATOM 0 H GLN A 26 12.470 -0.980 2.186 1.00 0.00 H new ATOM 0 HA GLN A 26 14.936 0.486 1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.820 0.896 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.682 -0.594 -0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.860 -0.955 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.131 -0.279 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.109 -3.111 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.003 -4.216 -0.462 1.00 0.00 H new ATOM 420 N ALA A 27 12.467 1.768 2.934 1.00 0.00 N ATOM 421 CA ALA A 27 12.232 2.965 3.694 1.00 0.00 C ATOM 422 C ALA A 27 13.065 3.114 4.978 1.00 0.00 C ATOM 423 O ALA A 27 12.932 4.183 5.631 1.00 0.00 O ATOM 424 CB ALA A 27 10.758 3.140 4.028 1.00 0.00 C ATOM 0 H ALA A 27 12.018 0.947 3.340 1.00 0.00 H new ATOM 0 HA ALA A 27 12.568 3.756 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.621 4.056 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.181 3.201 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.414 2.288 4.615 1.00 0.00 H new ATOM 430 N GLU A 28 13.840 2.143 5.367 1.00 0.00 N ATOM 431 CA GLU A 28 14.792 2.114 6.465 1.00 0.00 C ATOM 432 C GLU A 28 16.236 1.852 6.032 1.00 0.00 C ATOM 433 O GLU A 28 17.183 2.290 6.646 1.00 0.00 O ATOM 434 CB GLU A 28 14.337 1.249 7.636 1.00 0.00 C ATOM 435 CG GLU A 28 12.837 1.324 7.888 1.00 0.00 C ATOM 436 CD GLU A 28 12.324 0.648 9.161 1.00 0.00 C ATOM 437 OE1 GLU A 28 12.691 1.123 10.255 1.00 0.00 O ATOM 438 OE2 GLU A 28 11.531 -0.351 9.043 1.00 0.00 O ATOM 0 H GLU A 28 13.826 1.250 4.875 1.00 0.00 H new ATOM 0 HA GLU A 28 14.806 3.134 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.616 0.213 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.866 1.560 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.549 2.375 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.325 0.878 7.035 1.00 0.00 H new ATOM 445 N LYS A 29 16.399 1.099 4.921 1.00 0.00 N ATOM 446 CA LYS A 29 17.616 1.147 4.044 1.00 0.00 C ATOM 447 C LYS A 29 17.975 2.648 3.683 1.00 0.00 C ATOM 448 O LYS A 29 19.070 3.056 3.593 1.00 0.00 O ATOM 449 CB LYS A 29 17.131 0.518 2.650 1.00 0.00 C ATOM 450 CG LYS A 29 18.282 0.141 1.809 1.00 0.00 C ATOM 451 CD LYS A 29 18.612 -1.318 1.534 1.00 0.00 C ATOM 452 CE LYS A 29 17.479 -2.214 2.118 1.00 0.00 C ATOM 453 NZ LYS A 29 17.628 -2.326 3.593 1.00 0.00 N ATOM 0 H LYS A 29 15.695 0.436 4.597 1.00 0.00 H new ATOM 0 HA LYS A 29 18.457 0.651 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.512 -0.359 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.509 1.239 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.141 0.623 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.167 0.588 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.710 -1.486 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.569 -1.579 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.506 -1.789 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.517 -3.204 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.823 -3.315 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.416 -1.725 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.749 -2.016 4.055 1.00 0.00 H new ATOM 467 N TYR A 30 16.810 3.324 3.404 1.00 0.00 N ATOM 468 CA TYR A 30 16.751 4.746 2.957 1.00 0.00 C ATOM 469 C TYR A 30 15.719 5.466 3.879 1.00 0.00 C ATOM 470 O TYR A 30 14.531 5.174 3.845 1.00 0.00 O ATOM 471 CB TYR A 30 16.081 4.685 1.494 1.00 0.00 C ATOM 472 CG TYR A 30 16.819 3.668 0.605 1.00 0.00 C ATOM 473 CD1 TYR A 30 18.182 3.844 0.314 1.00 0.00 C ATOM 474 CD2 TYR A 30 16.073 2.621 0.060 1.00 0.00 C ATOM 475 CE1 TYR A 30 18.823 2.950 -0.562 1.00 0.00 C ATOM 476 CE2 TYR A 30 16.727 1.708 -0.795 1.00 0.00 C ATOM 477 CZ TYR A 30 18.057 1.930 -1.151 1.00 0.00 C ATOM 478 OH TYR A 30 18.619 1.147 -2.112 1.00 0.00 O ATOM 0 H TYR A 30 15.890 2.891 3.485 1.00 0.00 H new ATOM 0 HA TYR A 30 17.722 5.241 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.031 4.407 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.113 5.672 1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 30 18.733 4.659 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 30 15.023 2.513 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 30 19.877 3.045 -0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.201 0.843 -1.171 1.00 0.00 H new ATOM 0 HH TYR A 30 17.964 0.487 -2.421 1.00 0.00 H new ATOM 488 N GLU A 31 16.241 6.414 4.661 1.00 0.00 N ATOM 489 CA GLU A 31 15.471 7.564 5.197 1.00 0.00 C ATOM 490 C GLU A 31 14.734 8.341 4.106 1.00 0.00 C ATOM 491 O GLU A 31 15.007 9.515 3.829 1.00 0.00 O ATOM 492 CB GLU A 31 16.438 8.511 5.938 1.00 0.00 C ATOM 493 CG GLU A 31 15.738 9.755 6.474 1.00 0.00 C ATOM 494 CD GLU A 31 15.643 9.814 7.996 1.00 0.00 C ATOM 495 OE1 GLU A 31 15.615 8.714 8.610 1.00 0.00 O ATOM 496 OE2 GLU A 31 15.632 10.964 8.563 1.00 0.00 O ATOM 0 H GLU A 31 17.219 6.414 4.949 1.00 0.00 H new ATOM 0 HA GLU A 31 14.715 7.168 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.904 7.975 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.238 8.811 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.270 10.638 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.732 9.800 6.057 1.00 0.00 H new ATOM 503 N VAL A 32 13.793 7.621 3.419 1.00 0.00 N ATOM 504 CA VAL A 32 12.724 8.217 2.610 1.00 0.00 C ATOM 505 C VAL A 32 11.426 8.275 3.489 1.00 0.00 C ATOM 506 O VAL A 32 10.627 7.351 3.505 1.00 0.00 O ATOM 507 CB VAL A 32 12.502 7.410 1.327 1.00 0.00 C ATOM 508 CG1 VAL A 32 11.670 8.109 0.251 1.00 0.00 C ATOM 509 CG2 VAL A 32 13.831 6.863 0.740 1.00 0.00 C ATOM 0 H VAL A 32 13.771 6.601 3.423 1.00 0.00 H new ATOM 0 HA VAL A 32 12.998 9.226 2.301 1.00 0.00 H new ATOM 0 HB VAL A 32 11.892 6.567 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.572 7.455 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.681 8.338 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.164 9.034 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.622 6.298 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.495 7.695 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.310 6.211 1.470 1.00 0.00 H new ATOM 519 N PRO A 33 11.293 9.410 4.223 1.00 0.00 N ATOM 520 CA PRO A 33 10.337 9.578 5.335 1.00 0.00 C ATOM 521 C PRO A 33 8.834 9.458 5.028 1.00 0.00 C ATOM 522 O PRO A 33 8.050 10.396 5.214 1.00 0.00 O ATOM 523 CB PRO A 33 10.752 10.813 6.096 1.00 0.00 C ATOM 524 CG PRO A 33 11.501 11.644 5.061 1.00 0.00 C ATOM 525 CD PRO A 33 12.159 10.584 4.123 1.00 0.00 C ATOM 0 HA PRO A 33 10.413 8.694 5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.889 11.349 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.388 10.564 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.825 12.298 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.251 12.282 5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.218 10.946 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.176 10.353 4.439 1.00 0.00 H new ATOM 533 N VAL A 34 8.454 8.208 4.711 1.00 0.00 N ATOM 534 CA VAL A 34 7.099 7.675 4.716 1.00 0.00 C ATOM 535 C VAL A 34 7.105 6.234 5.312 1.00 0.00 C ATOM 536 O VAL A 34 7.884 5.385 4.884 1.00 0.00 O ATOM 537 CB VAL A 34 6.479 7.753 3.307 1.00 0.00 C ATOM 538 CG1 VAL A 34 7.528 7.565 2.160 1.00 0.00 C ATOM 539 CG2 VAL A 34 5.314 6.740 3.133 1.00 0.00 C ATOM 0 H VAL A 34 9.137 7.505 4.427 1.00 0.00 H new ATOM 0 HA VAL A 34 6.461 8.283 5.358 1.00 0.00 H new ATOM 0 HB VAL A 34 6.083 8.765 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.027 7.631 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.286 8.345 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.002 6.588 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.904 6.826 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.686 5.727 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.533 6.955 3.863 1.00 0.00 H new ATOM 549 N ILE A 35 6.293 6.034 6.342 1.00 0.00 N ATOM 550 CA ILE A 35 5.922 4.706 6.901 1.00 0.00 C ATOM 551 C ILE A 35 5.055 3.936 5.906 1.00 0.00 C ATOM 552 O ILE A 35 3.967 4.337 5.526 1.00 0.00 O ATOM 553 CB ILE A 35 5.292 4.835 8.302 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.136 5.713 9.262 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.913 3.488 8.956 1.00 0.00 C ATOM 556 CD1 ILE A 35 7.452 5.085 9.781 1.00 0.00 C ATOM 0 H ILE A 35 5.851 6.807 6.840 1.00 0.00 H new ATOM 0 HA ILE A 35 6.828 4.117 7.048 1.00 0.00 H new ATOM 0 HB ILE A 35 4.350 5.354 8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.379 6.644 8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.518 5.973 10.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.477 3.670 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.189 2.970 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.806 2.872 9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.956 5.790 10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.227 4.170 10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.101 4.852 8.937 1.00 0.00 H new ATOM 568 N ILE A 36 5.593 2.764 5.462 1.00 0.00 N ATOM 569 CA ILE A 36 4.898 1.660 4.811 1.00 0.00 C ATOM 570 C ILE A 36 4.368 0.651 5.860 1.00 0.00 C ATOM 571 O ILE A 36 5.106 -0.191 6.336 1.00 0.00 O ATOM 572 CB ILE A 36 5.750 0.981 3.705 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.783 1.936 3.103 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.752 0.460 2.583 1.00 0.00 C ATOM 575 CD1 ILE A 36 7.878 1.261 2.220 1.00 0.00 C ATOM 0 H ILE A 36 6.589 2.572 5.565 1.00 0.00 H new ATOM 0 HA ILE A 36 4.036 2.078 4.292 1.00 0.00 H new ATOM 0 HB ILE A 36 6.314 0.156 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.260 2.678 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.274 2.473 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.319 -0.024 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.056 -0.256 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.196 1.302 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.560 2.022 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.435 0.540 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.405 0.749 1.382 1.00 0.00 H new ATOM 587 N GLU A 37 3.046 0.741 6.102 1.00 0.00 N ATOM 588 CA GLU A 37 2.250 -0.239 6.866 1.00 0.00 C ATOM 589 C GLU A 37 1.182 -0.933 6.011 1.00 0.00 C ATOM 590 O GLU A 37 0.472 -0.305 5.235 1.00 0.00 O ATOM 591 CB GLU A 37 1.635 0.423 8.101 1.00 0.00 C ATOM 592 CG GLU A 37 2.668 0.998 9.082 1.00 0.00 C ATOM 593 CD GLU A 37 2.340 0.721 10.569 1.00 0.00 C ATOM 594 OE1 GLU A 37 2.723 -0.355 11.087 1.00 0.00 O ATOM 595 OE2 GLU A 37 1.659 1.611 11.152 1.00 0.00 O ATOM 0 H GLU A 37 2.485 1.522 5.761 1.00 0.00 H new ATOM 0 HA GLU A 37 2.931 -1.025 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.971 1.225 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.020 -0.309 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.647 0.578 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.739 2.075 8.930 1.00 0.00 H new ATOM 602 N ALA A 38 1.164 -2.273 6.114 1.00 0.00 N ATOM 603 CA ALA A 38 0.213 -3.186 5.467 1.00 0.00 C ATOM 604 C ALA A 38 -0.778 -3.753 6.508 1.00 0.00 C ATOM 605 O ALA A 38 -0.358 -4.217 7.548 1.00 0.00 O ATOM 606 CB ALA A 38 1.021 -4.413 4.902 1.00 0.00 C ATOM 0 H ALA A 38 1.849 -2.772 6.681 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.323 -2.645 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.336 -5.107 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.756 -4.062 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.531 -4.921 5.721 1.00 0.00 H new ATOM 612 N PHE A 39 -2.092 -3.648 6.168 1.00 0.00 N ATOM 613 CA PHE A 39 -3.223 -4.095 7.030 1.00 0.00 C ATOM 614 C PHE A 39 -4.189 -4.946 6.252 1.00 0.00 C ATOM 615 O PHE A 39 -3.998 -5.163 4.996 1.00 0.00 O ATOM 616 CB PHE A 39 -3.924 -2.775 7.560 1.00 0.00 C ATOM 617 CG PHE A 39 -2.859 -1.730 8.005 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.097 -1.032 7.065 1.00 0.00 C ATOM 619 CD2 PHE A 39 -2.659 -1.543 9.369 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.223 -0.009 7.478 1.00 0.00 C ATOM 621 CE2 PHE A 39 -1.911 -0.424 9.803 1.00 0.00 C ATOM 622 CZ PHE A 39 -1.222 0.347 8.859 1.00 0.00 C ATOM 0 H PHE A 39 -2.399 -3.248 5.281 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.869 -4.711 7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.552 -2.351 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.578 -3.015 8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.179 -1.278 6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.068 -2.241 10.085 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.575 0.490 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.872 -0.167 10.851 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.682 1.225 9.182 1.00 0.00 H new ATOM 632 N PRO A 40 -5.141 -5.603 6.906 1.00 0.00 N ATOM 633 CA PRO A 40 -6.342 -6.215 6.297 1.00 0.00 C ATOM 634 C PRO A 40 -7.596 -5.274 6.103 1.00 0.00 C ATOM 635 O PRO A 40 -8.458 -5.205 6.936 1.00 0.00 O ATOM 636 CB PRO A 40 -6.636 -7.446 7.110 1.00 0.00 C ATOM 637 CG PRO A 40 -5.813 -7.335 8.376 1.00 0.00 C ATOM 638 CD PRO A 40 -5.077 -6.013 8.340 1.00 0.00 C ATOM 0 HA PRO A 40 -6.120 -6.455 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.699 -7.512 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.375 -8.348 6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.456 -7.390 9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.107 -8.163 8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.550 -5.275 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.047 -6.120 8.679 1.00 0.00 H new ATOM 646 N GLU A 41 -7.632 -4.741 4.857 1.00 0.00 N ATOM 647 CA GLU A 41 -8.622 -3.827 4.350 1.00 0.00 C ATOM 648 C GLU A 41 -9.545 -3.110 5.268 1.00 0.00 C ATOM 649 O GLU A 41 -9.737 -1.840 5.166 1.00 0.00 O ATOM 650 CB GLU A 41 -9.363 -4.430 3.099 1.00 0.00 C ATOM 651 CG GLU A 41 -10.564 -5.276 3.509 1.00 0.00 C ATOM 652 CD GLU A 41 -10.219 -6.515 4.362 1.00 0.00 C ATOM 653 OE1 GLU A 41 -10.196 -6.270 5.626 1.00 0.00 O ATOM 654 OE2 GLU A 41 -10.023 -7.607 3.814 1.00 0.00 O ATOM 0 H GLU A 41 -6.922 -4.965 4.160 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.987 -2.985 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.693 -3.621 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.667 -5.040 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.259 -4.649 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.084 -5.605 2.609 1.00 0.00 H new ATOM 661 N THR A 42 -10.343 -3.794 6.107 1.00 0.00 N ATOM 662 CA THR A 42 -11.048 -3.359 7.327 1.00 0.00 C ATOM 663 C THR A 42 -10.520 -1.985 7.834 1.00 0.00 C ATOM 664 O THR A 42 -11.299 -1.158 8.328 1.00 0.00 O ATOM 665 CB THR A 42 -11.036 -4.308 8.496 1.00 0.00 C ATOM 666 OG1 THR A 42 -10.405 -3.790 9.672 1.00 0.00 O ATOM 667 CG2 THR A 42 -10.675 -5.762 8.148 1.00 0.00 C ATOM 0 H THR A 42 -10.531 -4.780 5.925 1.00 0.00 H new ATOM 0 HA THR A 42 -12.081 -3.306 6.983 1.00 0.00 H new ATOM 0 HB THR A 42 -12.086 -4.381 8.781 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.439 -4.462 10.384 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.693 -6.368 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.398 -6.156 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.678 -5.794 7.709 1.00 0.00 H new ATOM 675 N LEU A 43 -9.184 -1.853 7.813 1.00 0.00 N ATOM 676 CA LEU A 43 -8.400 -0.728 8.397 1.00 0.00 C ATOM 677 C LEU A 43 -8.333 0.395 7.374 1.00 0.00 C ATOM 678 O LEU A 43 -8.191 1.564 7.786 1.00 0.00 O ATOM 679 CB LEU A 43 -6.995 -1.388 8.683 1.00 0.00 C ATOM 680 CG LEU A 43 -6.881 -2.072 10.044 1.00 0.00 C ATOM 681 CD1 LEU A 43 -6.899 -3.606 10.030 1.00 0.00 C ATOM 682 CD2 LEU A 43 -5.750 -1.456 10.878 1.00 0.00 C ATOM 0 H LEU A 43 -8.586 -2.552 7.372 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.817 -0.284 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.787 -2.121 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.225 -0.619 8.611 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.818 -1.855 10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.812 -3.980 11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.835 -3.955 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.063 -3.974 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.691 -1.962 11.842 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.804 -1.572 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.950 -0.396 11.036 1.00 0.00 H new ATOM 694 N ALA A 44 -8.422 0.056 6.082 1.00 0.00 N ATOM 695 CA ALA A 44 -8.225 0.973 4.945 1.00 0.00 C ATOM 696 C ALA A 44 -8.903 2.353 5.150 1.00 0.00 C ATOM 697 O ALA A 44 -8.390 3.340 4.624 1.00 0.00 O ATOM 698 CB ALA A 44 -8.584 0.369 3.624 1.00 0.00 C ATOM 0 H ALA A 44 -8.640 -0.895 5.786 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.150 1.154 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.415 1.099 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.965 -0.510 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.634 0.078 3.630 1.00 0.00 H new ATOM 704 N GLY A 45 -10.033 2.344 5.897 1.00 0.00 N ATOM 705 CA GLY A 45 -10.811 3.602 6.115 1.00 0.00 C ATOM 706 C GLY A 45 -10.184 4.499 7.167 1.00 0.00 C ATOM 707 O GLY A 45 -10.274 5.756 7.084 1.00 0.00 O ATOM 0 H GLY A 45 -10.421 1.515 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.884 4.147 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.827 3.349 6.417 1.00 0.00 H new ATOM 711 N GLU A 46 -9.574 3.883 8.199 1.00 0.00 N ATOM 712 CA GLU A 46 -8.921 4.520 9.343 1.00 0.00 C ATOM 713 C GLU A 46 -7.404 4.685 9.162 1.00 0.00 C ATOM 714 O GLU A 46 -6.852 5.773 9.447 1.00 0.00 O ATOM 715 CB GLU A 46 -9.287 3.826 10.667 1.00 0.00 C ATOM 716 CG GLU A 46 -10.790 3.691 10.877 1.00 0.00 C ATOM 717 CD GLU A 46 -11.346 2.273 10.768 1.00 0.00 C ATOM 718 OE1 GLU A 46 -11.166 1.522 11.795 1.00 0.00 O ATOM 719 OE2 GLU A 46 -11.955 1.913 9.732 1.00 0.00 O ATOM 0 H GLU A 46 -9.525 2.866 8.252 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.316 5.535 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.833 2.835 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.860 4.390 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.038 4.085 11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.299 4.319 10.146 1.00 0.00 H new ATOM 726 N LYS A 47 -6.709 3.576 8.844 1.00 0.00 N ATOM 727 CA LYS A 47 -5.269 3.596 8.447 1.00 0.00 C ATOM 728 C LYS A 47 -5.075 4.307 7.077 1.00 0.00 C ATOM 729 O LYS A 47 -4.329 5.275 6.950 1.00 0.00 O ATOM 730 CB LYS A 47 -4.734 2.164 8.338 1.00 0.00 C ATOM 731 CG LYS A 47 -4.022 1.739 9.646 1.00 0.00 C ATOM 732 CD LYS A 47 -4.673 2.211 10.952 1.00 0.00 C ATOM 733 CE LYS A 47 -3.831 1.675 12.140 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.764 2.737 13.195 1.00 0.00 N ATOM 0 H LYS A 47 -7.118 2.641 8.852 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.721 4.144 9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.556 1.480 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.039 2.094 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.962 0.651 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.999 2.114 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.720 3.300 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.698 1.846 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.281 0.768 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.828 1.411 11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.202 2.392 13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.318 3.590 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.726 2.967 13.518 1.00 0.00 H new ATOM 748 N GLY A 48 -5.842 3.804 6.075 1.00 0.00 N ATOM 749 CA GLY A 48 -6.062 4.512 4.783 1.00 0.00 C ATOM 750 C GLY A 48 -6.228 6.015 4.917 1.00 0.00 C ATOM 751 O GLY A 48 -5.524 6.816 4.252 1.00 0.00 O ATOM 0 H GLY A 48 -6.321 2.906 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.220 4.308 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.950 4.101 4.303 1.00 0.00 H new ATOM 755 N GLN A 49 -7.243 6.449 5.732 1.00 0.00 N ATOM 756 CA GLN A 49 -7.499 7.877 6.043 1.00 0.00 C ATOM 757 C GLN A 49 -6.322 8.543 6.741 1.00 0.00 C ATOM 758 O GLN A 49 -6.191 9.791 6.713 1.00 0.00 O ATOM 759 CB GLN A 49 -8.771 7.914 6.908 1.00 0.00 C ATOM 760 CG GLN A 49 -8.831 9.039 7.923 1.00 0.00 C ATOM 761 CD GLN A 49 -10.275 9.353 8.369 1.00 0.00 C ATOM 762 OE1 GLN A 49 -10.802 10.458 8.356 1.00 0.00 O ATOM 763 NE2 GLN A 49 -10.983 8.271 8.853 1.00 0.00 N ATOM 0 H GLN A 49 -7.899 5.812 6.185 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.634 8.445 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.636 7.994 6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.859 6.965 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.235 8.770 8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.383 9.936 7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.553 7.346 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.936 8.397 9.195 1.00 0.00 H new ATOM 772 N ASN A 50 -5.481 7.727 7.458 1.00 0.00 N ATOM 773 CA ASN A 50 -4.179 8.151 8.000 1.00 0.00 C ATOM 774 C ASN A 50 -3.013 7.844 7.077 1.00 0.00 C ATOM 775 O ASN A 50 -1.824 7.831 7.513 1.00 0.00 O ATOM 776 CB ASN A 50 -3.978 7.568 9.403 1.00 0.00 C ATOM 777 CG ASN A 50 -5.125 7.840 10.401 1.00 0.00 C ATOM 778 OD1 ASN A 50 -5.871 8.783 10.361 1.00 0.00 O ATOM 779 ND2 ASN A 50 -5.265 6.897 11.389 1.00 0.00 N ATOM 0 H ASN A 50 -5.705 6.754 7.667 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.198 9.238 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.843 6.490 9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.054 7.972 9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.001 6.996 12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.633 6.097 11.424 1.00 0.00 H new ATOM 786 N ALA A 51 -3.310 7.517 5.814 1.00 0.00 N ATOM 787 CA ALA A 51 -2.357 7.333 4.711 1.00 0.00 C ATOM 788 C ALA A 51 -2.056 8.672 4.010 1.00 0.00 C ATOM 789 O ALA A 51 -2.748 9.666 4.114 1.00 0.00 O ATOM 790 CB ALA A 51 -2.818 6.265 3.723 1.00 0.00 C ATOM 0 H ALA A 51 -4.274 7.365 5.517 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.425 6.970 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.082 6.165 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.924 5.312 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.778 6.555 3.296 1.00 0.00 H new ATOM 796 N ASP A 52 -0.927 8.626 3.253 1.00 0.00 N ATOM 797 CA ASP A 52 -0.584 9.447 2.093 1.00 0.00 C ATOM 798 C ASP A 52 -0.879 8.726 0.750 1.00 0.00 C ATOM 799 O ASP A 52 -1.251 9.332 -0.247 1.00 0.00 O ATOM 800 CB ASP A 52 0.883 9.877 2.141 1.00 0.00 C ATOM 801 CG ASP A 52 1.328 10.892 1.059 1.00 0.00 C ATOM 802 OD1 ASP A 52 0.972 12.108 1.292 1.00 0.00 O ATOM 803 OD2 ASP A 52 2.017 10.504 0.119 1.00 0.00 O ATOM 0 H ASP A 52 -0.186 7.958 3.466 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.219 10.332 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.082 10.310 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.505 8.986 2.053 1.00 0.00 H new ATOM 808 N VAL A 53 -0.531 7.394 0.734 1.00 0.00 N ATOM 809 CA VAL A 53 -1.018 6.434 -0.241 1.00 0.00 C ATOM 810 C VAL A 53 -1.633 5.190 0.460 1.00 0.00 C ATOM 811 O VAL A 53 -1.123 4.689 1.447 1.00 0.00 O ATOM 812 CB VAL A 53 0.154 6.023 -1.190 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.252 5.099 -2.314 1.00 0.00 C ATOM 814 CG2 VAL A 53 0.866 7.307 -1.698 1.00 0.00 C ATOM 0 H VAL A 53 0.104 6.984 1.419 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.809 6.895 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 53 0.856 5.425 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.620 4.863 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.663 4.179 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.006 5.587 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.686 7.030 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.153 7.928 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.259 7.865 -0.848 1.00 0.00 H new ATOM 824 N VAL A 54 -2.795 4.751 -0.068 1.00 0.00 N ATOM 825 CA VAL A 54 -3.399 3.431 0.191 1.00 0.00 C ATOM 826 C VAL A 54 -3.064 2.488 -0.953 1.00 0.00 C ATOM 827 O VAL A 54 -2.949 2.890 -2.138 1.00 0.00 O ATOM 828 CB VAL A 54 -4.934 3.630 0.404 1.00 0.00 C ATOM 829 CG1 VAL A 54 -5.766 2.365 0.145 1.00 0.00 C ATOM 830 CG2 VAL A 54 -5.190 4.182 1.844 1.00 0.00 C ATOM 0 H VAL A 54 -3.352 5.322 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.997 2.972 1.094 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.269 4.352 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.821 2.582 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.623 2.040 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.446 1.574 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.260 4.322 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.809 3.472 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.679 5.137 1.964 1.00 0.00 H new ATOM 840 N LEU A 55 -2.763 1.218 -0.655 1.00 0.00 N ATOM 841 CA LEU A 55 -2.816 0.041 -1.546 1.00 0.00 C ATOM 842 C LEU A 55 -3.685 -1.047 -0.956 1.00 0.00 C ATOM 843 O LEU A 55 -3.648 -1.320 0.266 1.00 0.00 O ATOM 844 CB LEU A 55 -1.341 -0.392 -1.677 1.00 0.00 C ATOM 845 CG LEU A 55 -0.395 0.554 -2.488 1.00 0.00 C ATOM 846 CD1 LEU A 55 0.837 -0.154 -3.042 1.00 0.00 C ATOM 847 CD2 LEU A 55 -1.165 1.398 -3.514 1.00 0.00 C ATOM 0 H LEU A 55 -2.453 0.962 0.282 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.262 0.258 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.930 -0.504 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.317 -1.377 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 55 0.017 1.272 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.450 0.559 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.418 -0.571 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.526 -0.957 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.468 2.040 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.673 0.740 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.901 2.015 -2.999 1.00 0.00 H new ATOM 859 N LEU A 56 -4.595 -1.675 -1.768 1.00 0.00 N ATOM 860 CA LEU A 56 -5.320 -2.900 -1.541 1.00 0.00 C ATOM 861 C LEU A 56 -4.895 -3.982 -2.557 1.00 0.00 C ATOM 862 O LEU A 56 -4.700 -3.668 -3.748 1.00 0.00 O ATOM 863 CB LEU A 56 -6.832 -2.638 -1.578 1.00 0.00 C ATOM 864 CG LEU A 56 -7.516 -2.214 -0.255 1.00 0.00 C ATOM 865 CD1 LEU A 56 -8.361 -0.958 -0.362 1.00 0.00 C ATOM 866 CD2 LEU A 56 -8.193 -3.328 0.518 1.00 0.00 C ATOM 0 H LEU A 56 -4.838 -1.272 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.076 -3.278 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.021 -1.861 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.322 -3.544 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.667 -1.940 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.803 -0.733 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.734 -0.124 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.153 -1.114 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.639 -2.922 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.971 -3.778 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.456 -4.086 0.783 1.00 0.00 H new ATOM 878 N GLY A 57 -4.707 -5.226 -2.105 1.00 0.00 N ATOM 879 CA GLY A 57 -4.312 -6.407 -2.916 1.00 0.00 C ATOM 880 C GLY A 57 -5.012 -6.461 -4.297 1.00 0.00 C ATOM 881 O GLY A 57 -6.120 -5.955 -4.473 1.00 0.00 O ATOM 0 H GLY A 57 -4.829 -5.459 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.232 -6.393 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.547 -7.315 -2.361 1.00 0.00 H new ATOM 885 N PRO A 58 -4.292 -7.071 -5.261 1.00 0.00 N ATOM 886 CA PRO A 58 -4.860 -7.566 -6.554 1.00 0.00 C ATOM 887 C PRO A 58 -6.174 -8.418 -6.465 1.00 0.00 C ATOM 888 O PRO A 58 -7.050 -8.388 -7.284 1.00 0.00 O ATOM 889 CB PRO A 58 -3.762 -8.230 -7.276 1.00 0.00 C ATOM 890 CG PRO A 58 -2.492 -8.056 -6.480 1.00 0.00 C ATOM 891 CD PRO A 58 -2.838 -7.154 -5.308 1.00 0.00 C ATOM 0 HA PRO A 58 -5.233 -6.707 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.983 -9.289 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.648 -7.799 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.118 -9.019 -6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.708 -7.612 -7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.443 -7.560 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.398 -6.165 -5.437 1.00 0.00 H new ATOM 899 N GLN A 59 -6.266 -9.038 -5.231 1.00 0.00 N ATOM 900 CA GLN A 59 -7.491 -9.602 -4.676 1.00 0.00 C ATOM 901 C GLN A 59 -8.522 -8.583 -4.223 1.00 0.00 C ATOM 902 O GLN A 59 -9.701 -8.702 -4.604 1.00 0.00 O ATOM 903 CB GLN A 59 -7.058 -10.512 -3.491 1.00 0.00 C ATOM 904 CG GLN A 59 -6.570 -11.916 -3.979 1.00 0.00 C ATOM 905 CD GLN A 59 -5.056 -11.902 -4.288 1.00 0.00 C ATOM 906 OE1 GLN A 59 -4.475 -11.100 -5.001 1.00 0.00 O ATOM 907 NE2 GLN A 59 -4.320 -12.891 -3.675 1.00 0.00 N ATOM 0 H GLN A 59 -5.463 -9.144 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.002 -10.152 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.259 -10.024 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.896 -10.637 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.781 -12.664 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.124 -12.207 -4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.783 -13.573 -3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.312 -12.942 -3.822 1.00 0.00 H new ATOM 916 N ILE A 60 -8.158 -7.710 -3.285 1.00 0.00 N ATOM 917 CA ILE A 60 -9.002 -6.674 -2.620 1.00 0.00 C ATOM 918 C ILE A 60 -8.827 -5.341 -3.373 1.00 0.00 C ATOM 919 O ILE A 60 -8.713 -4.278 -2.818 1.00 0.00 O ATOM 920 CB ILE A 60 -8.711 -6.580 -1.086 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.676 -5.707 -0.333 1.00 0.00 C ATOM 922 CG2 ILE A 60 -7.239 -6.500 -0.745 1.00 0.00 C ATOM 923 CD1 ILE A 60 -11.082 -6.344 0.000 1.00 0.00 C ATOM 0 H ILE A 60 -7.201 -7.693 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 60 -10.054 -6.955 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.956 -7.551 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.206 -5.406 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.840 -4.799 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.119 -6.437 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.731 -7.390 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.805 -5.615 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -11.690 -5.621 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.586 -6.618 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.942 -7.234 0.613 1.00 0.00 H new ATOM 935 N ALA A 61 -8.751 -5.492 -4.731 1.00 0.00 N ATOM 936 CA ALA A 61 -8.767 -4.384 -5.693 1.00 0.00 C ATOM 937 C ALA A 61 -10.239 -3.980 -6.025 1.00 0.00 C ATOM 938 O ALA A 61 -10.558 -2.840 -6.298 1.00 0.00 O ATOM 939 CB ALA A 61 -8.101 -4.804 -7.031 1.00 0.00 C ATOM 0 H ALA A 61 -8.676 -6.406 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.224 -3.555 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.125 -3.966 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.066 -5.094 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.643 -5.647 -7.459 1.00 0.00 H new ATOM 945 N TYR A 62 -11.094 -5.035 -5.965 1.00 0.00 N ATOM 946 CA TYR A 62 -12.552 -4.944 -6.414 1.00 0.00 C ATOM 947 C TYR A 62 -13.192 -3.863 -5.484 1.00 0.00 C ATOM 948 O TYR A 62 -14.221 -3.261 -5.801 1.00 0.00 O ATOM 949 CB TYR A 62 -13.177 -6.352 -6.113 1.00 0.00 C ATOM 950 CG TYR A 62 -13.230 -6.657 -4.607 1.00 0.00 C ATOM 951 CD1 TYR A 62 -14.337 -6.248 -3.916 1.00 0.00 C ATOM 952 CD2 TYR A 62 -12.152 -7.316 -3.990 1.00 0.00 C ATOM 953 CE1 TYR A 62 -14.589 -6.796 -2.621 1.00 0.00 C ATOM 954 CE2 TYR A 62 -12.315 -7.734 -2.642 1.00 0.00 C ATOM 955 CZ TYR A 62 -13.525 -7.508 -1.999 1.00 0.00 C ATOM 956 OH TYR A 62 -13.723 -7.899 -0.714 1.00 0.00 O ATOM 0 H TYR A 62 -10.825 -5.956 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.694 -4.687 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.185 -6.395 -6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.593 -7.122 -6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.011 -5.521 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.231 -7.498 -4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -15.546 -6.675 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.505 -8.223 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.931 -8.378 -0.392 1.00 0.00 H new ATOM 966 N MET A 63 -12.544 -3.693 -4.307 1.00 0.00 N ATOM 967 CA MET A 63 -12.929 -2.758 -3.253 1.00 0.00 C ATOM 968 C MET A 63 -12.209 -1.426 -3.306 1.00 0.00 C ATOM 969 O MET A 63 -12.634 -0.457 -2.639 1.00 0.00 O ATOM 970 CB MET A 63 -12.758 -3.427 -1.857 1.00 0.00 C ATOM 971 CG MET A 63 -14.016 -4.224 -1.474 1.00 0.00 C ATOM 972 SD MET A 63 -15.043 -3.362 -0.173 1.00 0.00 S ATOM 973 CE MET A 63 -16.614 -4.186 -0.495 1.00 0.00 C ATOM 0 H MET A 63 -11.709 -4.229 -4.069 1.00 0.00 H new ATOM 0 HA MET A 63 -13.979 -2.522 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.893 -4.090 -1.870 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.563 -2.663 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.624 -4.386 -2.364 1.00 0.00 H new ATOM 0 HG3 MET A 63 -13.721 -5.207 -1.107 1.00 0.00 H new ATOM 0 HE1 MET A 63 -17.402 -3.708 0.088 1.00 0.00 H new ATOM 0 HE2 MET A 63 -16.853 -4.113 -1.556 1.00 0.00 H new ATOM 0 HE3 MET A 63 -16.539 -5.236 -0.212 1.00 0.00 H new ATOM 983 N LEU A 64 -11.110 -1.373 -4.090 1.00 0.00 N ATOM 984 CA LEU A 64 -10.246 -0.169 -4.287 1.00 0.00 C ATOM 985 C LEU A 64 -11.134 1.085 -4.341 1.00 0.00 C ATOM 986 O LEU A 64 -10.793 2.118 -3.718 1.00 0.00 O ATOM 987 CB LEU A 64 -9.531 -0.374 -5.624 1.00 0.00 C ATOM 988 CG LEU A 64 -9.010 0.831 -6.424 1.00 0.00 C ATOM 989 CD1 LEU A 64 -9.802 1.194 -7.701 1.00 0.00 C ATOM 990 CD2 LEU A 64 -8.786 2.056 -5.497 1.00 0.00 C ATOM 0 H LEU A 64 -10.784 -2.181 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.529 -0.040 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.679 -1.028 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.215 -0.920 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.049 0.504 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.342 2.058 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.791 0.348 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.832 1.432 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.417 2.896 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.728 2.331 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.055 1.803 -4.729 1.00 0.00 H new ATOM 1002 N PRO A 65 -12.243 1.035 -5.105 1.00 0.00 N ATOM 1003 CA PRO A 65 -13.250 2.098 -5.211 1.00 0.00 C ATOM 1004 C PRO A 65 -14.279 2.301 -4.064 1.00 0.00 C ATOM 1005 O PRO A 65 -14.536 3.413 -3.621 1.00 0.00 O ATOM 1006 CB PRO A 65 -13.947 1.863 -6.556 1.00 0.00 C ATOM 1007 CG PRO A 65 -13.940 0.329 -6.648 1.00 0.00 C ATOM 1008 CD PRO A 65 -12.492 -0.007 -6.137 1.00 0.00 C ATOM 0 HA PRO A 65 -12.707 3.039 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.958 2.269 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.407 2.325 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.711 -0.123 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.108 -0.022 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.437 -1.011 -5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.760 0.042 -6.943 1.00 0.00 H new ATOM 1016 N GLU A 66 -14.663 1.108 -3.526 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.358 1.036 -2.192 1.00 0.00 C ATOM 1018 C GLU A 66 -14.580 1.929 -1.193 1.00 0.00 C ATOM 1019 O GLU A 66 -15.180 2.697 -0.445 1.00 0.00 O ATOM 1020 CB GLU A 66 -15.478 -0.393 -1.721 1.00 0.00 C ATOM 1021 CG GLU A 66 -16.766 -0.693 -0.924 1.00 0.00 C ATOM 1022 CD GLU A 66 -17.777 -1.595 -1.644 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -17.511 -1.845 -2.863 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -18.785 -2.009 -1.032 1.00 0.00 O ATOM 0 H GLU A 66 -14.512 0.204 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.379 1.409 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.439 -1.053 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.616 -0.632 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.490 -1.163 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.253 0.251 -0.680 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.233 1.761 -1.184 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.256 2.714 -0.649 1.00 0.00 C ATOM 1033 C ILE A 67 -12.697 4.192 -0.952 1.00 0.00 C ATOM 1034 O ILE A 67 -13.160 4.927 -0.105 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.818 2.445 -1.172 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.255 1.095 -0.846 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.833 3.630 -0.776 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -10.765 0.330 0.361 1.00 0.00 C ATOM 0 H ILE A 67 -12.792 0.924 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.230 2.573 0.431 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.912 2.422 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.408 0.461 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.179 1.214 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.834 3.415 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.193 4.563 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.797 3.726 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.241 -0.623 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.586 0.914 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.834 0.149 0.252 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.498 4.561 -2.235 1.00 0.00 N ATOM 1051 CA GLN A 68 -12.334 5.945 -2.737 1.00 0.00 C ATOM 1052 C GLN A 68 -13.671 6.620 -2.916 1.00 0.00 C ATOM 1053 O GLN A 68 -13.841 7.625 -3.640 1.00 0.00 O ATOM 1054 CB GLN A 68 -11.551 5.761 -4.053 1.00 0.00 C ATOM 1055 CG GLN A 68 -11.888 6.742 -5.162 1.00 0.00 C ATOM 1056 CD GLN A 68 -10.780 7.771 -5.448 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -9.837 7.941 -4.454 1.00 0.00 O flip ATOM 1058 NE2 GLN A 68 -10.681 8.441 -6.475 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.445 3.872 -2.985 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.803 6.603 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.486 5.840 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.727 4.750 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.096 6.184 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.803 7.273 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.366 8.332 -7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.914 9.105 -6.579 1.00 0.00 H new ATOM 1067 N ARG A 69 -14.739 6.043 -2.283 1.00 0.00 N ATOM 1068 CA ARG A 69 -15.952 6.794 -1.830 1.00 0.00 C ATOM 1069 C ARG A 69 -15.834 7.119 -0.319 1.00 0.00 C ATOM 1070 O ARG A 69 -15.978 8.271 0.112 1.00 0.00 O ATOM 1071 CB ARG A 69 -17.189 5.903 -2.076 1.00 0.00 C ATOM 1072 CG ARG A 69 -17.024 5.009 -3.333 1.00 0.00 C ATOM 1073 CD ARG A 69 -18.162 5.265 -4.349 1.00 0.00 C ATOM 1074 NE ARG A 69 -18.843 3.966 -4.612 1.00 0.00 N ATOM 1075 CZ ARG A 69 -19.839 3.776 -5.491 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -20.330 4.756 -6.279 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -20.360 2.532 -5.694 1.00 0.00 N ATOM 0 H ARG A 69 -14.782 5.046 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.044 7.729 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -17.360 5.273 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -18.071 6.533 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.061 5.210 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.023 3.959 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -18.870 5.993 -3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -17.761 5.680 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 69 -18.526 3.155 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -19.942 5.698 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -21.089 4.555 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.993 1.734 -5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -21.117 2.399 -6.365 1.00 0.00 H new ATOM 1091 N LEU A 70 -15.697 6.030 0.487 1.00 0.00 N ATOM 1092 CA LEU A 70 -15.440 6.044 1.931 1.00 0.00 C ATOM 1093 C LEU A 70 -14.259 6.950 2.259 1.00 0.00 C ATOM 1094 O LEU A 70 -14.456 7.944 2.986 1.00 0.00 O ATOM 1095 CB LEU A 70 -15.181 4.597 2.370 1.00 0.00 C ATOM 1096 CG LEU A 70 -14.637 4.327 3.790 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -15.714 4.507 4.894 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -13.929 2.957 3.886 1.00 0.00 C ATOM 0 H LEU A 70 -15.768 5.082 0.118 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.298 6.444 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.119 4.050 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.478 4.160 1.661 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.883 5.092 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -15.272 4.304 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.090 5.530 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.536 3.814 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.562 2.808 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.634 2.165 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.091 2.931 3.190 1.00 0.00 H new ATOM 1110 N LEU A 71 -13.034 6.579 1.838 1.00 0.00 N ATOM 1111 CA LEU A 71 -11.816 7.438 1.852 1.00 0.00 C ATOM 1112 C LEU A 71 -11.641 8.061 0.472 1.00 0.00 C ATOM 1113 O LEU A 71 -11.116 7.450 -0.421 1.00 0.00 O ATOM 1114 CB LEU A 71 -10.705 6.516 2.299 1.00 0.00 C ATOM 1115 CG LEU A 71 -9.336 6.395 1.688 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -8.789 7.635 0.959 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -8.318 5.794 2.715 1.00 0.00 C ATOM 0 H LEU A 71 -12.851 5.647 1.466 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.852 8.290 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.535 6.754 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.129 5.512 2.264 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.469 5.692 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.796 7.417 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.456 7.898 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.727 8.470 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.335 5.716 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.256 6.443 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.653 4.804 3.023 1.00 0.00 H new ATOM 1129 N PRO A 72 -12.208 9.299 0.266 1.00 0.00 N ATOM 1130 CA PRO A 72 -12.181 10.097 -0.971 1.00 0.00 C ATOM 1131 C PRO A 72 -10.910 10.822 -1.436 1.00 0.00 C ATOM 1132 O PRO A 72 -9.921 10.216 -1.882 1.00 0.00 O ATOM 1133 CB PRO A 72 -13.410 10.990 -0.914 1.00 0.00 C ATOM 1134 CG PRO A 72 -13.525 11.270 0.597 1.00 0.00 C ATOM 1135 CD PRO A 72 -13.135 9.917 1.230 1.00 0.00 C ATOM 0 HA PRO A 72 -12.182 9.368 -1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.278 11.905 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.296 10.492 -1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.856 12.071 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.535 11.570 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.659 10.058 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.012 9.290 1.393 1.00 0.00 H new ATOM 1143 N ASN A 73 -10.862 12.152 -1.120 1.00 0.00 N ATOM 1144 CA ASN A 73 -9.758 13.080 -1.313 1.00 0.00 C ATOM 1145 C ASN A 73 -8.389 12.447 -1.432 1.00 0.00 C ATOM 1146 O ASN A 73 -7.553 12.890 -2.273 1.00 0.00 O ATOM 1147 CB ASN A 73 -9.803 14.215 -0.244 1.00 0.00 C ATOM 1148 CG ASN A 73 -10.388 13.766 1.098 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -11.747 13.760 1.196 1.00 0.00 O flip ATOM 1150 ND2 ASN A 73 -9.722 13.401 2.075 1.00 0.00 N flip ATOM 0 H ASN A 73 -11.665 12.614 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.914 13.518 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.793 14.592 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.395 15.044 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.703 13.397 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.192 13.104 2.930 1.00 0.00 H new ATOM 1157 N LYS A 74 -8.067 11.443 -0.565 1.00 0.00 N ATOM 1158 CA LYS A 74 -6.748 10.838 -0.473 1.00 0.00 C ATOM 1159 C LYS A 74 -6.565 9.685 -1.532 1.00 0.00 C ATOM 1160 O LYS A 74 -7.489 9.051 -1.947 1.00 0.00 O ATOM 1161 CB LYS A 74 -6.367 10.326 0.899 1.00 0.00 C ATOM 1162 CG LYS A 74 -6.996 11.102 2.040 1.00 0.00 C ATOM 1163 CD LYS A 74 -7.088 10.274 3.373 1.00 0.00 C ATOM 1164 CE LYS A 74 -6.575 11.203 4.499 1.00 0.00 C ATOM 1165 NZ LYS A 74 -7.464 12.364 4.646 1.00 0.00 N ATOM 0 H LYS A 74 -8.740 11.042 0.088 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.068 11.662 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.659 9.279 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.282 10.363 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.414 12.006 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.997 11.420 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.114 9.960 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.484 9.369 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.525 10.653 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.563 11.538 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.314 12.800 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.254 13.059 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.454 12.056 4.563 1.00 0.00 H new ATOM 1179 N PRO A 75 -5.272 9.530 -1.892 1.00 0.00 N ATOM 1180 CA PRO A 75 -4.714 8.299 -2.521 1.00 0.00 C ATOM 1181 C PRO A 75 -5.295 6.928 -2.104 1.00 0.00 C ATOM 1182 O PRO A 75 -5.405 6.592 -0.913 1.00 0.00 O ATOM 1183 CB PRO A 75 -3.213 8.405 -2.119 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.959 9.880 -2.409 1.00 0.00 C ATOM 1185 CD PRO A 75 -4.255 10.595 -1.921 1.00 0.00 C ATOM 0 HA PRO A 75 -4.953 8.291 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.044 8.152 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.576 7.749 -2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.079 10.244 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.785 10.053 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.117 11.039 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.543 11.401 -2.596 1.00 0.00 H new ATOM 1193 N VAL A 76 -5.451 6.076 -3.143 1.00 0.00 N ATOM 1194 CA VAL A 76 -5.643 4.642 -3.057 1.00 0.00 C ATOM 1195 C VAL A 76 -5.326 3.918 -4.364 1.00 0.00 C ATOM 1196 O VAL A 76 -5.661 4.345 -5.467 1.00 0.00 O ATOM 1197 CB VAL A 76 -7.017 4.290 -2.450 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -8.121 5.315 -2.783 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -7.467 2.852 -2.817 1.00 0.00 C ATOM 0 H VAL A 76 -5.443 6.406 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.903 4.256 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.870 4.334 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.059 5.002 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.837 6.294 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.249 5.374 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.439 2.649 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.542 2.759 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.737 2.135 -2.441 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.600 2.785 -4.225 1.00 0.00 N ATOM 1210 CA GLU A 77 -4.212 1.870 -5.292 1.00 0.00 C ATOM 1211 C GLU A 77 -4.243 0.367 -4.756 1.00 0.00 C ATOM 1212 O GLU A 77 -4.337 0.110 -3.627 1.00 0.00 O ATOM 1213 CB GLU A 77 -2.857 2.165 -5.866 1.00 0.00 C ATOM 1214 CG GLU A 77 -2.856 2.995 -7.154 1.00 0.00 C ATOM 1215 CD GLU A 77 -2.547 2.237 -8.439 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -3.408 1.505 -8.960 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -1.349 2.383 -8.887 1.00 0.00 O ATOM 0 H GLU A 77 -4.258 2.480 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.936 2.008 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.269 2.691 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.351 1.220 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.833 3.466 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.126 3.797 -7.045 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.268 -0.532 -5.789 1.00 0.00 N ATOM 1225 CA VAL A 78 -3.898 -1.960 -5.635 1.00 0.00 C ATOM 1226 C VAL A 78 -2.398 -2.149 -5.807 1.00 0.00 C ATOM 1227 O VAL A 78 -1.672 -1.223 -6.236 1.00 0.00 O ATOM 1228 CB VAL A 78 -4.764 -2.761 -6.664 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.165 -4.157 -7.000 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -6.206 -2.909 -6.133 1.00 0.00 C ATOM 0 H VAL A 78 -4.544 -0.281 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.108 -2.335 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.769 -2.191 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.808 -4.666 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.170 -4.033 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.096 -4.752 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.804 -3.467 -6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.191 -3.443 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.643 -1.921 -5.987 1.00 0.00 H new ATOM 1240 N ILE A 79 -1.885 -3.333 -5.433 1.00 0.00 N ATOM 1241 CA ILE A 79 -0.489 -3.804 -5.714 1.00 0.00 C ATOM 1242 C ILE A 79 -0.418 -4.325 -7.167 1.00 0.00 C ATOM 1243 O ILE A 79 -1.437 -4.342 -7.882 1.00 0.00 O ATOM 1244 CB ILE A 79 -0.041 -4.786 -4.619 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -0.625 -4.362 -3.232 1.00 0.00 C ATOM 1246 CG2 ILE A 79 1.479 -5.017 -4.558 1.00 0.00 C ATOM 1247 CD1 ILE A 79 -0.214 -5.270 -2.059 1.00 0.00 C ATOM 0 H ILE A 79 -2.432 -4.018 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 79 0.238 -2.993 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.454 -5.757 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.306 -3.343 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.713 -4.348 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.708 -5.722 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.824 -5.422 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.983 -4.071 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.665 -4.901 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.557 -6.287 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.871 -5.266 -1.959 1.00 0.00 H new ATOM 1259 N ASP A 80 0.777 -4.723 -7.572 1.00 0.00 N ATOM 1260 CA ASP A 80 1.058 -5.737 -8.662 1.00 0.00 C ATOM 1261 C ASP A 80 1.192 -7.137 -7.933 1.00 0.00 C ATOM 1262 O ASP A 80 1.198 -7.188 -6.732 1.00 0.00 O ATOM 1263 CB ASP A 80 2.366 -5.372 -9.306 1.00 0.00 C ATOM 1264 CG ASP A 80 2.316 -4.408 -10.494 1.00 0.00 C ATOM 1265 OD1 ASP A 80 2.207 -3.163 -10.171 1.00 0.00 O ATOM 1266 OD2 ASP A 80 2.433 -4.835 -11.647 1.00 0.00 O ATOM 0 H ASP A 80 1.633 -4.355 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 80 0.278 -5.766 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.008 -4.934 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.848 -6.292 -9.637 1.00 0.00 H new ATOM 1271 N SER A 81 1.009 -8.168 -8.773 1.00 0.00 N ATOM 1272 CA SER A 81 0.540 -9.527 -8.341 1.00 0.00 C ATOM 1273 C SER A 81 1.723 -10.513 -8.289 1.00 0.00 C ATOM 1274 O SER A 81 1.720 -11.497 -7.565 1.00 0.00 O ATOM 1275 CB SER A 81 -0.502 -9.987 -9.375 1.00 0.00 C ATOM 1276 OG SER A 81 -0.724 -11.392 -9.365 1.00 0.00 O ATOM 0 H SER A 81 1.178 -8.099 -9.777 1.00 0.00 H new ATOM 0 HA SER A 81 0.106 -9.491 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.445 -9.476 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.174 -9.685 -10.370 1.00 0.00 H new ATOM 0 HG SER A 81 -1.395 -11.622 -10.041 1.00 0.00 H new ATOM 1282 N LEU A 82 2.777 -10.198 -9.103 1.00 0.00 N ATOM 1283 CA LEU A 82 4.088 -10.790 -9.145 1.00 0.00 C ATOM 1284 C LEU A 82 5.071 -10.100 -8.174 1.00 0.00 C ATOM 1285 O LEU A 82 5.841 -10.767 -7.476 1.00 0.00 O ATOM 1286 CB LEU A 82 4.596 -10.511 -10.627 1.00 0.00 C ATOM 1287 CG LEU A 82 4.592 -11.693 -11.585 1.00 0.00 C ATOM 1288 CD1 LEU A 82 3.523 -11.752 -12.648 1.00 0.00 C ATOM 1289 CD2 LEU A 82 6.034 -11.999 -12.123 1.00 0.00 C ATOM 0 H LEU A 82 2.689 -9.454 -9.795 1.00 0.00 H new ATOM 0 HA LEU A 82 4.042 -11.843 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.977 -9.723 -11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.613 -10.122 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 82 4.268 -12.518 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.656 -12.652 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.541 -11.773 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.599 -10.874 -13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.995 -12.849 -12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.418 -11.127 -12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.692 -12.234 -11.287 1.00 0.00 H new ATOM 1301 N LEU A 83 5.051 -8.734 -8.153 1.00 0.00 N ATOM 1302 CA LEU A 83 5.813 -7.878 -7.196 1.00 0.00 C ATOM 1303 C LEU A 83 5.205 -8.134 -5.792 1.00 0.00 C ATOM 1304 O LEU A 83 5.961 -8.140 -4.826 1.00 0.00 O ATOM 1305 CB LEU A 83 5.480 -6.442 -7.650 1.00 0.00 C ATOM 1306 CG LEU A 83 5.887 -5.967 -9.050 1.00 0.00 C ATOM 1307 CD1 LEU A 83 6.901 -4.807 -9.083 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.296 -7.145 -9.980 1.00 0.00 C ATOM 0 H LEU A 83 4.495 -8.189 -8.812 1.00 0.00 H new ATOM 0 HA LEU A 83 6.887 -8.063 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.400 -6.318 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.936 -5.761 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 83 4.976 -5.530 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.122 -4.547 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.480 -3.941 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.819 -5.112 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.575 -6.756 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.143 -7.675 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.456 -7.831 -10.089 1.00 0.00 H new ATOM 1320 N TYR A 84 3.872 -8.297 -5.709 1.00 0.00 N ATOM 1321 CA TYR A 84 3.134 -8.814 -4.544 1.00 0.00 C ATOM 1322 C TYR A 84 3.739 -10.078 -3.972 1.00 0.00 C ATOM 1323 O TYR A 84 4.490 -10.080 -2.951 1.00 0.00 O ATOM 1324 CB TYR A 84 1.641 -9.053 -4.981 1.00 0.00 C ATOM 1325 CG TYR A 84 0.651 -9.082 -3.819 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.790 -8.211 -2.724 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.335 -10.062 -3.849 1.00 0.00 C ATOM 1328 CE1 TYR A 84 0.022 -8.447 -1.543 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -0.995 -10.393 -2.653 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.866 -9.515 -1.553 1.00 0.00 C ATOM 1331 OH TYR A 84 -1.675 -9.729 -0.476 1.00 0.00 O ATOM 0 H TYR A 84 3.254 -8.062 -6.486 1.00 0.00 H new ATOM 0 HA TYR A 84 3.189 -8.077 -3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.346 -8.267 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.578 -9.997 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.470 -7.373 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.589 -10.559 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.128 -7.817 -0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.585 -11.294 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.938 -8.868 -0.088 1.00 0.00 H new ATOM 1341 N GLY A 85 3.389 -11.232 -4.564 1.00 0.00 N ATOM 1342 CA GLY A 85 3.544 -12.582 -3.984 1.00 0.00 C ATOM 1343 C GLY A 85 5.020 -13.092 -4.056 1.00 0.00 C ATOM 1344 O GLY A 85 5.309 -14.219 -3.667 1.00 0.00 O ATOM 0 H GLY A 85 2.974 -11.254 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.217 -12.568 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.895 -13.279 -4.513 1.00 0.00 H new ATOM 1348 N LYS A 86 5.889 -12.218 -4.588 1.00 0.00 N ATOM 1349 CA LYS A 86 7.357 -12.334 -4.424 1.00 0.00 C ATOM 1350 C LYS A 86 7.965 -10.986 -3.942 1.00 0.00 C ATOM 1351 O LYS A 86 9.118 -10.731 -4.072 1.00 0.00 O ATOM 1352 CB LYS A 86 8.050 -12.853 -5.657 1.00 0.00 C ATOM 1353 CG LYS A 86 7.063 -13.322 -6.746 1.00 0.00 C ATOM 1354 CD LYS A 86 7.691 -14.213 -7.844 1.00 0.00 C ATOM 1355 CE LYS A 86 6.727 -15.299 -8.257 1.00 0.00 C ATOM 1356 NZ LYS A 86 6.886 -15.688 -9.664 1.00 0.00 N ATOM 0 H LYS A 86 5.601 -11.412 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 86 7.531 -13.083 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.689 -12.070 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.700 -13.683 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.252 -13.873 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.619 -12.445 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.954 -13.604 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.615 -14.659 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.876 -16.173 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.706 -14.956 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.202 -16.436 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.718 -14.862 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.852 -16.042 -9.819 1.00 0.00 H new ATOM 1370 N VAL A 87 7.040 -10.159 -3.354 1.00 0.00 N ATOM 1371 CA VAL A 87 7.375 -9.143 -2.341 1.00 0.00 C ATOM 1372 C VAL A 87 8.622 -8.373 -2.773 1.00 0.00 C ATOM 1373 O VAL A 87 9.740 -8.556 -2.255 1.00 0.00 O ATOM 1374 CB VAL A 87 7.452 -9.769 -0.947 1.00 0.00 C ATOM 1375 CG1 VAL A 87 6.326 -9.362 0.034 1.00 0.00 C ATOM 1376 CG2 VAL A 87 7.644 -11.295 -0.949 1.00 0.00 C ATOM 0 H VAL A 87 6.046 -10.192 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 87 6.579 -8.402 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 87 8.366 -9.321 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.478 -9.863 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.345 -8.282 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.360 -9.654 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.688 -11.657 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.807 -11.766 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.573 -11.544 -1.462 1.00 0.00 H new ATOM 1386 N ASP A 88 8.470 -7.525 -3.826 1.00 0.00 N ATOM 1387 CA ASP A 88 9.464 -6.662 -4.456 1.00 0.00 C ATOM 1388 C ASP A 88 10.388 -6.010 -3.331 1.00 0.00 C ATOM 1389 O ASP A 88 11.590 -6.201 -3.390 1.00 0.00 O ATOM 1390 CB ASP A 88 8.760 -5.469 -5.171 1.00 0.00 C ATOM 1391 CG ASP A 88 9.494 -4.938 -6.382 1.00 0.00 C ATOM 1392 OD1 ASP A 88 10.764 -5.013 -6.436 1.00 0.00 O ATOM 1393 OD2 ASP A 88 8.796 -4.401 -7.302 1.00 0.00 O ATOM 0 H ASP A 88 7.563 -7.432 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 88 10.038 -7.266 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.762 -5.784 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.633 -4.657 -4.455 1.00 0.00 H new ATOM 1398 N GLY A 89 9.738 -5.140 -2.570 1.00 0.00 N ATOM 1399 CA GLY A 89 10.425 -4.183 -1.654 1.00 0.00 C ATOM 1400 C GLY A 89 10.686 -2.842 -2.383 1.00 0.00 C ATOM 1401 O GLY A 89 10.067 -1.837 -2.059 1.00 0.00 O ATOM 0 H GLY A 89 8.721 -5.062 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.812 -4.011 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.368 -4.609 -1.311 1.00 0.00 H new ATOM 1405 N LEU A 90 11.680 -2.871 -3.336 1.00 0.00 N ATOM 1406 CA LEU A 90 12.270 -1.719 -3.986 1.00 0.00 C ATOM 1407 C LEU A 90 11.351 -1.167 -5.102 1.00 0.00 C ATOM 1408 O LEU A 90 11.184 0.039 -5.250 1.00 0.00 O ATOM 1409 CB LEU A 90 13.637 -2.151 -4.557 1.00 0.00 C ATOM 1410 CG LEU A 90 14.592 -1.064 -5.095 1.00 0.00 C ATOM 1411 CD1 LEU A 90 15.289 -0.244 -3.981 1.00 0.00 C ATOM 1412 CD2 LEU A 90 15.568 -1.596 -6.151 1.00 0.00 C ATOM 0 H LEU A 90 12.085 -3.749 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 90 12.400 -0.912 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.165 -2.697 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.449 -2.856 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 90 13.952 -0.350 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.944 0.500 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.536 0.257 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.878 -0.912 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.213 -0.786 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.178 -2.388 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.007 -1.993 -6.997 1.00 0.00 H new ATOM 1424 N GLY A 91 10.782 -2.063 -5.952 1.00 0.00 N ATOM 1425 CA GLY A 91 9.868 -1.769 -7.037 1.00 0.00 C ATOM 1426 C GLY A 91 8.470 -1.346 -6.598 1.00 0.00 C ATOM 1427 O GLY A 91 7.681 -0.858 -7.403 1.00 0.00 O ATOM 0 H GLY A 91 10.974 -3.062 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.297 -0.976 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.783 -2.651 -7.671 1.00 0.00 H new ATOM 1431 N VAL A 92 8.141 -1.564 -5.264 1.00 0.00 N ATOM 1432 CA VAL A 92 6.905 -1.200 -4.639 1.00 0.00 C ATOM 1433 C VAL A 92 6.920 0.199 -4.035 1.00 0.00 C ATOM 1434 O VAL A 92 5.891 0.869 -3.912 1.00 0.00 O ATOM 1435 CB VAL A 92 6.409 -2.323 -3.680 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.070 -1.983 -2.965 1.00 0.00 C ATOM 1437 CG2 VAL A 92 6.250 -3.661 -4.461 1.00 0.00 C ATOM 0 H VAL A 92 8.787 -2.017 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 92 6.151 -1.122 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 92 7.169 -2.418 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.785 -2.809 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.195 -1.078 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.290 -1.823 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.903 -4.440 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.524 -3.530 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.211 -3.951 -4.885 1.00 0.00 H new ATOM 1447 N LEU A 93 8.132 0.622 -3.557 1.00 0.00 N ATOM 1448 CA LEU A 93 8.427 2.065 -3.256 1.00 0.00 C ATOM 1449 C LEU A 93 8.402 2.860 -4.562 1.00 0.00 C ATOM 1450 O LEU A 93 7.932 4.008 -4.561 1.00 0.00 O ATOM 1451 CB LEU A 93 9.885 2.028 -2.699 1.00 0.00 C ATOM 1452 CG LEU A 93 10.029 2.034 -1.141 1.00 0.00 C ATOM 1453 CD1 LEU A 93 11.476 1.981 -0.668 1.00 0.00 C ATOM 1454 CD2 LEU A 93 9.187 3.142 -0.496 1.00 0.00 C ATOM 0 H LEU A 93 8.914 -0.007 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 93 7.716 2.522 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.377 1.135 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.426 2.887 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 93 9.606 1.097 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.503 1.988 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.946 1.069 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.016 2.848 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.314 3.113 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.511 4.112 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.136 2.990 -0.742 1.00 0.00 H new ATOM 1466 N LYS A 94 8.928 2.292 -5.689 1.00 0.00 N ATOM 1467 CA LYS A 94 8.525 2.716 -7.033 1.00 0.00 C ATOM 1468 C LYS A 94 6.996 2.807 -7.225 1.00 0.00 C ATOM 1469 O LYS A 94 6.467 3.876 -7.581 1.00 0.00 O ATOM 1470 CB LYS A 94 9.153 1.856 -8.136 1.00 0.00 C ATOM 1471 CG LYS A 94 8.904 2.509 -9.532 1.00 0.00 C ATOM 1472 CD LYS A 94 9.261 1.599 -10.721 1.00 0.00 C ATOM 1473 CE LYS A 94 10.712 1.949 -11.156 1.00 0.00 C ATOM 1474 NZ LYS A 94 11.062 1.245 -12.378 1.00 0.00 N ATOM 0 H LYS A 94 9.625 1.547 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 94 8.917 3.729 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.224 1.751 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.726 0.853 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.854 2.793 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.488 3.427 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.188 0.549 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.565 1.754 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.802 3.024 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.410 1.681 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.034 1.491 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.996 0.219 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.407 1.521 -13.137 1.00 0.00 H new ATOM 1488 N ALA A 95 6.302 1.660 -7.058 1.00 0.00 N ATOM 1489 CA ALA A 95 4.862 1.501 -7.381 1.00 0.00 C ATOM 1490 C ALA A 95 3.998 2.485 -6.592 1.00 0.00 C ATOM 1491 O ALA A 95 3.055 3.063 -7.130 1.00 0.00 O ATOM 1492 CB ALA A 95 4.438 0.049 -7.096 1.00 0.00 C ATOM 0 H ALA A 95 6.728 0.808 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 95 4.713 1.722 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.381 -0.074 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.028 -0.630 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.604 -0.179 -6.043 1.00 0.00 H new ATOM 1498 N ALA A 96 4.293 2.603 -5.279 1.00 0.00 N ATOM 1499 CA ALA A 96 3.755 3.643 -4.379 1.00 0.00 C ATOM 1500 C ALA A 96 3.722 5.010 -5.089 1.00 0.00 C ATOM 1501 O ALA A 96 2.669 5.645 -5.194 1.00 0.00 O ATOM 1502 CB ALA A 96 4.689 3.761 -3.135 1.00 0.00 C ATOM 0 H ALA A 96 4.928 1.961 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 96 2.743 3.365 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.303 4.526 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.724 2.804 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.693 4.035 -3.459 1.00 0.00 H new ATOM 1508 N VAL A 97 4.911 5.472 -5.543 1.00 0.00 N ATOM 1509 CA VAL A 97 5.111 6.695 -6.328 1.00 0.00 C ATOM 1510 C VAL A 97 4.114 6.728 -7.512 1.00 0.00 C ATOM 1511 O VAL A 97 3.477 7.739 -7.795 1.00 0.00 O ATOM 1512 CB VAL A 97 6.581 6.850 -6.727 1.00 0.00 C ATOM 1513 CG1 VAL A 97 6.868 7.859 -7.859 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.519 7.090 -5.524 1.00 0.00 C ATOM 0 H VAL A 97 5.785 4.978 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 97 4.889 7.574 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 97 6.811 5.872 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.939 7.887 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.339 7.553 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.529 8.850 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.545 7.191 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.222 8.002 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.453 6.246 -4.837 1.00 0.00 H new ATOM 1524 N ALA A 98 4.024 5.570 -8.220 1.00 0.00 N ATOM 1525 CA ALA A 98 3.162 5.319 -9.353 1.00 0.00 C ATOM 1526 C ALA A 98 1.659 5.352 -8.994 1.00 0.00 C ATOM 1527 O ALA A 98 0.796 5.510 -9.860 1.00 0.00 O ATOM 1528 CB ALA A 98 3.524 4.022 -10.059 1.00 0.00 C ATOM 0 H ALA A 98 4.592 4.757 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 98 3.335 6.144 -10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.854 3.869 -10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.552 4.077 -10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.426 3.189 -9.363 1.00 0.00 H new ATOM 1534 N ALA A 99 1.375 5.135 -7.692 1.00 0.00 N ATOM 1535 CA ALA A 99 0.086 5.383 -7.053 1.00 0.00 C ATOM 1536 C ALA A 99 -0.126 6.827 -6.642 1.00 0.00 C ATOM 1537 O ALA A 99 -1.061 7.503 -7.073 1.00 0.00 O ATOM 1538 CB ALA A 99 -0.119 4.427 -5.847 1.00 0.00 C ATOM 0 H ALA A 99 2.070 4.769 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.671 5.176 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.085 4.627 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.090 3.394 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.674 4.588 -5.116 1.00 0.00 H new ATOM 1544 N ILE A 100 0.767 7.333 -5.746 1.00 0.00 N ATOM 1545 CA ILE A 100 0.960 8.772 -5.434 1.00 0.00 C ATOM 1546 C ILE A 100 0.725 9.624 -6.709 1.00 0.00 C ATOM 1547 O ILE A 100 0.256 10.761 -6.647 1.00 0.00 O ATOM 1548 CB ILE A 100 2.290 9.049 -4.721 1.00 0.00 C ATOM 1549 CG1 ILE A 100 2.022 10.070 -3.528 1.00 0.00 C ATOM 1550 CG2 ILE A 100 3.401 9.613 -5.629 1.00 0.00 C ATOM 1551 CD1 ILE A 100 1.341 11.357 -4.013 1.00 0.00 C ATOM 0 H ILE A 100 1.389 6.730 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 100 0.209 9.079 -4.706 1.00 0.00 H new ATOM 0 HB ILE A 100 2.657 8.086 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.397 9.591 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.967 10.320 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.303 9.778 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.614 8.903 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.073 10.558 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.178 12.024 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.978 11.851 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.383 11.111 -4.471 1.00 0.00 H new ATOM 1563 N LYS A 101 1.062 9.026 -7.873 1.00 0.00 N ATOM 1564 CA LYS A 101 0.740 9.553 -9.208 1.00 0.00 C ATOM 1565 C LYS A 101 -0.624 9.135 -9.709 1.00 0.00 C ATOM 1566 O LYS A 101 -1.344 9.947 -10.343 1.00 0.00 O ATOM 1567 CB LYS A 101 1.872 9.333 -10.206 1.00 0.00 C ATOM 1568 CG LYS A 101 2.047 10.567 -11.126 1.00 0.00 C ATOM 1569 CD LYS A 101 2.960 10.306 -12.350 1.00 0.00 C ATOM 1570 CE LYS A 101 2.075 10.110 -13.593 1.00 0.00 C ATOM 1571 NZ LYS A 101 2.802 9.320 -14.617 1.00 0.00 N ATOM 0 H LYS A 101 1.576 8.146 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 101 0.658 10.634 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.801 9.139 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.662 8.451 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.067 10.889 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.463 11.388 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.641 11.144 -12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.575 9.422 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.153 9.599 -13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.792 11.079 -14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.196 9.193 -15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.670 9.823 -14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.051 8.389 -14.225 1.00 0.00 H new