USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 1 SER N :NH3+ -163:sc= -0.0704 (180deg=-0.417) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -37:sc= -0.5 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -127:sc= -0.0592 (180deg=-0.152) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0404 K(o=-0.04,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.8!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.2! C(o=-1.2!,f=-2.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -155:sc= -3.25! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.060 9.197 13.649 1.00 0.00 N ATOM 2 CA SER A 1 6.515 9.323 12.309 1.00 0.00 C ATOM 3 C SER A 1 7.396 8.568 11.311 1.00 0.00 C ATOM 4 O SER A 1 6.910 8.086 10.288 1.00 0.00 O ATOM 5 CB SER A 1 6.391 10.792 11.901 1.00 0.00 C ATOM 6 OG SER A 1 5.686 10.948 10.671 1.00 0.00 O ATOM 0 H1 SER A 1 6.331 9.452 14.346 1.00 0.00 H new ATOM 0 H2 SER A 1 7.364 8.215 13.809 1.00 0.00 H new ATOM 0 H3 SER A 1 7.876 9.833 13.753 1.00 0.00 H new ATOM 0 HA SER A 1 5.516 8.886 12.304 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.875 11.344 12.687 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.386 11.227 11.806 1.00 0.00 H new ATOM 0 HG SER A 1 5.627 11.900 10.446 1.00 0.00 H new ATOM 11 N ASP A 2 8.676 8.488 11.644 1.00 0.00 N ATOM 12 CA ASP A 2 9.629 7.800 10.790 1.00 0.00 C ATOM 13 C ASP A 2 9.331 6.299 10.806 1.00 0.00 C ATOM 14 O ASP A 2 9.915 5.538 10.036 1.00 0.00 O ATOM 15 CB ASP A 2 11.062 8.003 11.289 1.00 0.00 C ATOM 16 CG ASP A 2 11.441 9.454 11.594 1.00 0.00 C ATOM 17 OD1 ASP A 2 11.654 10.203 10.616 1.00 0.00 O ATOM 18 OD2 ASP A 2 11.510 9.780 12.798 1.00 0.00 O ATOM 0 H ASP A 2 9.075 8.888 12.493 1.00 0.00 H new ATOM 0 HA ASP A 2 9.536 8.208 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.204 7.409 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.751 7.613 10.539 1.00 0.00 H new ATOM 22 N ASP A 3 8.424 5.919 11.693 1.00 0.00 N ATOM 23 CA ASP A 3 8.040 4.522 11.819 1.00 0.00 C ATOM 24 C ASP A 3 6.978 4.192 10.770 1.00 0.00 C ATOM 25 O ASP A 3 6.791 3.029 10.415 1.00 0.00 O ATOM 26 CB ASP A 3 7.446 4.237 13.199 1.00 0.00 C ATOM 27 CG ASP A 3 8.364 4.564 14.379 1.00 0.00 C ATOM 28 OD1 ASP A 3 8.480 5.769 14.692 1.00 0.00 O ATOM 29 OD2 ASP A 3 8.929 3.602 14.942 1.00 0.00 O ATOM 0 H ASP A 3 7.944 6.553 12.331 1.00 0.00 H new ATOM 0 HA ASP A 3 8.933 3.913 11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.524 4.809 13.306 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.175 3.182 13.250 1.00 0.00 H new ATOM 33 N LYS A 4 6.310 5.236 10.301 1.00 0.00 N ATOM 34 CA LYS A 4 5.271 5.071 9.299 1.00 0.00 C ATOM 35 C LYS A 4 5.697 5.775 8.009 1.00 0.00 C ATOM 36 O LYS A 4 5.062 5.610 6.969 1.00 0.00 O ATOM 37 CB LYS A 4 3.922 5.547 9.842 1.00 0.00 C ATOM 38 CG LYS A 4 3.975 7.027 10.224 1.00 0.00 C ATOM 39 CD LYS A 4 2.707 7.449 10.967 1.00 0.00 C ATOM 40 CE LYS A 4 3.047 8.265 12.215 1.00 0.00 C ATOM 41 NZ LYS A 4 1.864 8.382 13.097 1.00 0.00 N ATOM 0 H LYS A 4 6.468 6.199 10.597 1.00 0.00 H new ATOM 0 HA LYS A 4 5.138 4.016 9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.148 5.389 9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.647 4.953 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.847 7.213 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.093 7.634 9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.073 8.038 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.137 6.565 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.865 7.789 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.391 9.258 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.113 8.939 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.094 8.856 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.553 7.433 13.389 1.00 0.00 H new ATOM 51 N ILE A 5 6.769 6.546 8.118 1.00 0.00 N ATOM 52 CA ILE A 5 7.288 7.275 6.974 1.00 0.00 C ATOM 53 C ILE A 5 7.892 6.286 5.976 1.00 0.00 C ATOM 54 O ILE A 5 7.927 6.554 4.775 1.00 0.00 O ATOM 55 CB ILE A 5 8.263 8.363 7.429 1.00 0.00 C ATOM 56 CG1 ILE A 5 8.050 9.655 6.637 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.710 7.872 7.346 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.491 9.486 5.182 1.00 0.00 C ATOM 0 H ILE A 5 7.293 6.682 8.983 1.00 0.00 H new ATOM 0 HA ILE A 5 6.483 7.797 6.458 1.00 0.00 H new ATOM 0 HB ILE A 5 8.059 8.589 8.476 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.998 9.937 6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.613 10.466 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.382 8.664 7.675 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.836 7.000 7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.944 7.602 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.329 10.419 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.549 9.228 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.909 8.691 4.716 1.00 0.00 H new ATOM 69 N GLY A 6 8.352 5.164 6.508 1.00 0.00 N ATOM 70 CA GLY A 6 8.953 4.133 5.678 1.00 0.00 C ATOM 71 C GLY A 6 7.951 3.602 4.651 1.00 0.00 C ATOM 72 O GLY A 6 8.133 3.784 3.449 1.00 0.00 O ATOM 0 H GLY A 6 8.321 4.945 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.825 4.537 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.304 3.314 6.306 1.00 0.00 H new ATOM 76 N LEU A 7 6.914 2.955 5.163 1.00 0.00 N ATOM 77 CA LEU A 7 5.883 2.397 4.306 1.00 0.00 C ATOM 78 C LEU A 7 5.229 3.522 3.501 1.00 0.00 C ATOM 79 O LEU A 7 5.085 3.419 2.285 1.00 0.00 O ATOM 80 CB LEU A 7 4.890 1.572 5.128 1.00 0.00 C ATOM 81 CG LEU A 7 4.610 0.157 4.618 1.00 0.00 C ATOM 82 CD1 LEU A 7 5.897 -0.669 4.558 1.00 0.00 C ATOM 83 CD2 LEU A 7 3.531 -0.526 5.462 1.00 0.00 C ATOM 0 H LEU A 7 6.766 2.805 6.161 1.00 0.00 H new ATOM 0 HA LEU A 7 6.321 1.704 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.265 1.501 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.946 2.115 5.172 1.00 0.00 H new ATOM 0 HG LEU A 7 4.226 0.230 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.670 -1.670 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.606 -0.189 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.333 -0.737 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.351 -1.530 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.864 -0.587 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.609 0.053 5.411 1.00 0.00 H new ATOM 94 N LYS A 8 4.850 4.573 4.215 1.00 0.00 N ATOM 95 CA LYS A 8 4.215 5.717 3.583 1.00 0.00 C ATOM 96 C LYS A 8 5.055 6.164 2.386 1.00 0.00 C ATOM 97 O LYS A 8 4.515 6.608 1.374 1.00 0.00 O ATOM 98 CB LYS A 8 3.965 6.824 4.609 1.00 0.00 C ATOM 99 CG LYS A 8 2.933 7.829 4.091 1.00 0.00 C ATOM 100 CD LYS A 8 3.310 9.256 4.487 1.00 0.00 C ATOM 101 CE LYS A 8 2.408 9.770 5.611 1.00 0.00 C ATOM 102 NZ LYS A 8 3.135 10.746 6.454 1.00 0.00 N ATOM 0 H LYS A 8 4.971 4.656 5.224 1.00 0.00 H new ATOM 0 HA LYS A 8 3.233 5.444 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.614 6.386 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.900 7.339 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.862 7.756 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.949 7.585 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.351 9.285 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.227 9.912 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.519 10.238 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.068 8.935 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.508 11.085 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.970 10.289 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.438 11.551 5.870 1.00 0.00 H new ATOM 112 N VAL A 9 6.365 6.034 2.540 1.00 0.00 N ATOM 113 CA VAL A 9 7.285 6.419 1.485 1.00 0.00 C ATOM 114 C VAL A 9 7.125 5.464 0.301 1.00 0.00 C ATOM 115 O VAL A 9 6.724 5.878 -0.786 1.00 0.00 O ATOM 116 CB VAL A 9 8.715 6.465 2.028 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.715 5.970 0.980 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.075 7.872 2.509 1.00 0.00 C ATOM 0 H VAL A 9 6.811 5.667 3.381 1.00 0.00 H new ATOM 0 HA VAL A 9 7.056 7.422 1.126 1.00 0.00 H new ATOM 0 HB VAL A 9 8.769 5.795 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.724 6.013 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.477 4.942 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.657 6.603 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.096 7.876 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.995 8.572 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.391 8.171 3.303 1.00 0.00 H new ATOM 128 N LEU A 10 7.447 4.203 0.551 1.00 0.00 N ATOM 129 CA LEU A 10 7.345 3.186 -0.481 1.00 0.00 C ATOM 130 C LEU A 10 5.972 3.282 -1.152 1.00 0.00 C ATOM 131 O LEU A 10 5.881 3.418 -2.371 1.00 0.00 O ATOM 132 CB LEU A 10 7.652 1.803 0.097 1.00 0.00 C ATOM 133 CG LEU A 10 8.896 1.106 -0.457 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.166 1.639 0.210 1.00 0.00 C ATOM 135 CD2 LEU A 10 8.776 -0.415 -0.326 1.00 0.00 C ATOM 0 H LEU A 10 7.779 3.863 1.454 1.00 0.00 H new ATOM 0 HA LEU A 10 8.092 3.354 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.764 1.899 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.790 1.159 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 10 8.970 1.334 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.036 1.127 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.253 2.709 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.115 1.461 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.673 -0.887 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.665 -0.682 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.905 -0.761 -0.882 1.00 0.00 H new ATOM 146 N TYR A 11 4.940 3.206 -0.325 1.00 0.00 N ATOM 147 CA TYR A 11 3.577 3.282 -0.822 1.00 0.00 C ATOM 148 C TYR A 11 3.366 4.551 -1.651 1.00 0.00 C ATOM 149 O TYR A 11 2.916 4.482 -2.793 1.00 0.00 O ATOM 150 CB TYR A 11 2.679 3.341 0.416 1.00 0.00 C ATOM 151 CG TYR A 11 1.368 4.100 0.199 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.749 4.067 -1.034 1.00 0.00 C ATOM 153 CD2 TYR A 11 0.805 4.816 1.235 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.485 4.780 -1.238 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.429 5.529 1.030 1.00 0.00 C ATOM 156 CZ TYR A 11 -1.014 5.477 -0.196 1.00 0.00 C ATOM 157 OH TYR A 11 -2.178 6.151 -0.390 1.00 0.00 O ATOM 0 H TYR A 11 5.020 3.093 0.686 1.00 0.00 H new ATOM 0 HA TYR A 11 3.353 2.427 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.450 2.324 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.230 3.813 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.190 3.507 -1.845 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.290 4.842 2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.980 4.762 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.880 6.093 1.833 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.189 6.531 -1.293 1.00 0.00 H new ATOM 166 N LYS A 12 3.699 5.680 -1.042 1.00 0.00 N ATOM 167 CA LYS A 12 3.552 6.962 -1.710 1.00 0.00 C ATOM 168 C LYS A 12 4.330 6.938 -3.027 1.00 0.00 C ATOM 169 O LYS A 12 3.906 7.539 -4.013 1.00 0.00 O ATOM 170 CB LYS A 12 3.959 8.102 -0.775 1.00 0.00 C ATOM 171 CG LYS A 12 3.993 9.437 -1.523 1.00 0.00 C ATOM 172 CD LYS A 12 5.359 9.668 -2.172 1.00 0.00 C ATOM 173 CE LYS A 12 5.759 11.143 -2.102 1.00 0.00 C ATOM 174 NZ LYS A 12 5.752 11.746 -3.453 1.00 0.00 N ATOM 0 H LYS A 12 4.070 5.733 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 12 2.507 7.144 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.257 8.164 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.940 7.895 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.216 9.449 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.773 10.251 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.111 9.060 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.330 9.345 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.069 11.683 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.751 11.236 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.026 12.747 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.427 11.241 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.798 11.674 -3.860 1.00 0.00 H new ATOM 184 N LEU A 13 5.455 6.238 -3.001 1.00 0.00 N ATOM 185 CA LEU A 13 6.296 6.129 -4.180 1.00 0.00 C ATOM 186 C LEU A 13 5.720 5.063 -5.115 1.00 0.00 C ATOM 187 O LEU A 13 5.993 5.071 -6.315 1.00 0.00 O ATOM 188 CB LEU A 13 7.750 5.874 -3.780 1.00 0.00 C ATOM 189 CG LEU A 13 8.790 6.810 -4.399 1.00 0.00 C ATOM 190 CD1 LEU A 13 8.499 7.050 -5.882 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.886 8.120 -3.614 1.00 0.00 C ATOM 0 H LEU A 13 5.803 5.741 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 13 6.302 7.069 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.826 5.946 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.006 4.849 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 13 9.765 6.326 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.253 7.719 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.523 6.100 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.513 7.503 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.632 8.767 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.918 8.620 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.176 7.907 -2.585 1.00 0.00 H new ATOM 202 N MET A 14 4.934 4.171 -4.530 1.00 0.00 N ATOM 203 CA MET A 14 4.317 3.101 -5.295 1.00 0.00 C ATOM 204 C MET A 14 3.099 3.612 -6.068 1.00 0.00 C ATOM 205 O MET A 14 3.060 3.533 -7.295 1.00 0.00 O ATOM 206 CB MET A 14 3.888 1.978 -4.349 1.00 0.00 C ATOM 207 CG MET A 14 4.136 0.606 -4.979 1.00 0.00 C ATOM 208 SD MET A 14 5.426 -0.249 -4.089 1.00 0.00 S ATOM 209 CE MET A 14 6.863 0.407 -4.920 1.00 0.00 C ATOM 0 H MET A 14 4.710 4.167 -3.535 1.00 0.00 H new ATOM 0 HA MET A 14 5.047 2.724 -6.012 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.439 2.057 -3.412 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.831 2.085 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.219 0.017 -4.961 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.420 0.723 -6.025 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.489 -0.415 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.547 1.009 -5.772 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.432 1.028 -4.228 1.00 0.00 H new ATOM 217 N ASP A 15 2.134 4.123 -5.319 1.00 0.00 N ATOM 218 CA ASP A 15 0.919 4.646 -5.918 1.00 0.00 C ATOM 219 C ASP A 15 1.285 5.579 -7.073 1.00 0.00 C ATOM 220 O ASP A 15 1.549 6.762 -6.861 1.00 0.00 O ATOM 221 CB ASP A 15 0.104 5.450 -4.901 1.00 0.00 C ATOM 222 CG ASP A 15 -1.090 6.208 -5.483 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.298 6.084 -6.709 1.00 0.00 O ATOM 224 OD2 ASP A 15 -1.770 6.892 -4.688 1.00 0.00 O ATOM 0 H ASP A 15 2.169 4.186 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 15 0.326 3.801 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.258 4.770 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.765 6.165 -4.412 1.00 0.00 H new ATOM 228 N VAL A 16 1.290 5.013 -8.271 1.00 0.00 N ATOM 229 CA VAL A 16 1.620 5.780 -9.460 1.00 0.00 C ATOM 230 C VAL A 16 0.389 5.863 -10.365 1.00 0.00 C ATOM 231 O VAL A 16 0.272 6.780 -11.177 1.00 0.00 O ATOM 232 CB VAL A 16 2.835 5.166 -10.157 1.00 0.00 C ATOM 233 CG1 VAL A 16 3.172 5.925 -11.442 1.00 0.00 C ATOM 234 CG2 VAL A 16 4.041 5.118 -9.217 1.00 0.00 C ATOM 0 H VAL A 16 1.071 4.032 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 16 1.896 6.800 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 16 2.582 4.141 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.040 5.468 -11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.321 5.884 -12.122 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.395 6.965 -11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.891 4.677 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.295 6.129 -8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.797 4.513 -8.343 1.00 0.00 H new ATOM 244 N ASP A 17 -0.497 4.893 -10.197 1.00 0.00 N ATOM 245 CA ASP A 17 -1.714 4.844 -10.989 1.00 0.00 C ATOM 246 C ASP A 17 -2.226 6.268 -11.217 1.00 0.00 C ATOM 247 O ASP A 17 -2.555 6.640 -12.342 1.00 0.00 O ATOM 248 CB ASP A 17 -2.810 4.058 -10.267 1.00 0.00 C ATOM 249 CG ASP A 17 -4.197 4.145 -10.907 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.271 3.919 -12.134 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.152 4.437 -10.155 1.00 0.00 O ATOM 0 H ASP A 17 -0.396 4.134 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.482 4.354 -11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.513 3.010 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.877 4.417 -9.240 1.00 0.00 H new ATOM 255 N GLY A 18 -2.275 7.026 -10.131 1.00 0.00 N ATOM 256 CA GLY A 18 -2.741 8.401 -10.200 1.00 0.00 C ATOM 257 C GLY A 18 -4.095 8.556 -9.504 1.00 0.00 C ATOM 258 O GLY A 18 -4.992 9.215 -10.027 1.00 0.00 O ATOM 0 H GLY A 18 -2.000 6.715 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.010 9.061 -9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.826 8.708 -11.242 1.00 0.00 H new ATOM 262 N ASP A 19 -4.200 7.937 -8.337 1.00 0.00 N ATOM 263 CA ASP A 19 -5.429 7.998 -7.565 1.00 0.00 C ATOM 264 C ASP A 19 -5.133 8.598 -6.189 1.00 0.00 C ATOM 265 O ASP A 19 -5.799 9.539 -5.763 1.00 0.00 O ATOM 266 CB ASP A 19 -6.018 6.602 -7.356 1.00 0.00 C ATOM 267 CG ASP A 19 -6.713 6.003 -8.581 1.00 0.00 C ATOM 268 OD1 ASP A 19 -6.659 6.660 -9.642 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.283 4.900 -8.426 1.00 0.00 O ATOM 0 H ASP A 19 -3.453 7.391 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.143 8.611 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.218 5.929 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.734 6.645 -6.536 1.00 0.00 H new ATOM 273 N GLY A 20 -4.133 8.027 -5.533 1.00 0.00 N ATOM 274 CA GLY A 20 -3.741 8.493 -4.214 1.00 0.00 C ATOM 275 C GLY A 20 -3.830 7.365 -3.185 1.00 0.00 C ATOM 276 O GLY A 20 -3.108 7.369 -2.190 1.00 0.00 O ATOM 0 H GLY A 20 -3.583 7.246 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.722 8.879 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.384 9.319 -3.910 1.00 0.00 H new ATOM 280 N LYS A 21 -4.724 6.426 -3.459 1.00 0.00 N ATOM 281 CA LYS A 21 -4.917 5.294 -2.570 1.00 0.00 C ATOM 282 C LYS A 21 -4.119 4.097 -3.092 1.00 0.00 C ATOM 283 O LYS A 21 -3.872 3.988 -4.293 1.00 0.00 O ATOM 284 CB LYS A 21 -6.408 5.005 -2.386 1.00 0.00 C ATOM 285 CG LYS A 21 -7.243 6.270 -2.606 1.00 0.00 C ATOM 286 CD LYS A 21 -7.817 6.307 -4.024 1.00 0.00 C ATOM 287 CE LYS A 21 -8.127 7.743 -4.451 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.415 7.801 -5.177 1.00 0.00 N ATOM 0 H LYS A 21 -5.323 6.427 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.535 5.523 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.721 4.231 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.586 4.617 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.055 6.305 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.625 7.152 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.106 5.862 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.725 5.706 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.168 8.389 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.327 8.120 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.610 8.783 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.363 7.200 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.178 7.461 -4.558 1.00 0.00 H new ATOM 298 N LEU A 22 -3.738 3.231 -2.166 1.00 0.00 N ATOM 299 CA LEU A 22 -2.974 2.047 -2.519 1.00 0.00 C ATOM 300 C LEU A 22 -3.926 0.862 -2.688 1.00 0.00 C ATOM 301 O LEU A 22 -4.231 0.162 -1.723 1.00 0.00 O ATOM 302 CB LEU A 22 -1.863 1.802 -1.494 1.00 0.00 C ATOM 303 CG LEU A 22 -0.581 1.165 -2.035 1.00 0.00 C ATOM 304 CD1 LEU A 22 -0.064 1.927 -3.256 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.480 1.053 -0.938 1.00 0.00 C ATOM 0 H LEU A 22 -3.944 3.325 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.470 2.190 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.605 2.755 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.258 1.162 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.814 0.152 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.848 1.454 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.820 1.912 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.149 2.959 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.381 0.597 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.717 2.047 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.099 0.435 -0.125 1.00 0.00 H new ATOM 316 N THR A 23 -4.370 0.672 -3.921 1.00 0.00 N ATOM 317 CA THR A 23 -5.281 -0.417 -4.231 1.00 0.00 C ATOM 318 C THR A 23 -4.501 -1.660 -4.664 1.00 0.00 C ATOM 319 O THR A 23 -3.328 -1.566 -5.024 1.00 0.00 O ATOM 320 CB THR A 23 -6.271 0.079 -5.287 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.664 -0.279 -6.525 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.353 1.606 -5.340 1.00 0.00 C ATOM 0 H THR A 23 -4.116 1.255 -4.719 1.00 0.00 H new ATOM 0 HA THR A 23 -5.848 -0.719 -3.351 1.00 0.00 H new ATOM 0 HB THR A 23 -7.260 -0.331 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.240 0.004 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.069 1.906 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.677 1.987 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.372 2.015 -5.581 1.00 0.00 H new ATOM 330 N LYS A 24 -5.183 -2.794 -4.618 1.00 0.00 N ATOM 331 CA LYS A 24 -4.568 -4.053 -5.002 1.00 0.00 C ATOM 332 C LYS A 24 -4.138 -3.979 -6.469 1.00 0.00 C ATOM 333 O LYS A 24 -2.955 -4.107 -6.780 1.00 0.00 O ATOM 334 CB LYS A 24 -5.506 -5.222 -4.696 1.00 0.00 C ATOM 335 CG LYS A 24 -4.713 -6.482 -4.341 1.00 0.00 C ATOM 336 CD LYS A 24 -5.553 -7.437 -3.488 1.00 0.00 C ATOM 337 CE LYS A 24 -6.391 -8.364 -4.370 1.00 0.00 C ATOM 338 NZ LYS A 24 -7.725 -8.585 -3.767 1.00 0.00 N ATOM 0 H LYS A 24 -6.156 -2.868 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.668 -4.233 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.165 -4.957 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.141 -5.419 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.397 -6.987 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.808 -6.206 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.899 -8.030 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.207 -6.864 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.502 -7.929 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.879 -9.318 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.282 -9.216 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.614 -9.020 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.217 -7.674 -3.670 1.00 0.00 H new ATOM 348 N GLU A 25 -5.122 -3.773 -7.331 1.00 0.00 N ATOM 349 CA GLU A 25 -4.860 -3.680 -8.757 1.00 0.00 C ATOM 350 C GLU A 25 -3.574 -2.890 -9.011 1.00 0.00 C ATOM 351 O GLU A 25 -2.656 -3.385 -9.664 1.00 0.00 O ATOM 352 CB GLU A 25 -6.045 -3.050 -9.493 1.00 0.00 C ATOM 353 CG GLU A 25 -6.166 -3.606 -10.914 1.00 0.00 C ATOM 354 CD GLU A 25 -7.119 -2.754 -11.755 1.00 0.00 C ATOM 355 OE1 GLU A 25 -6.778 -1.572 -11.977 1.00 0.00 O ATOM 356 OE2 GLU A 25 -8.167 -3.304 -12.158 1.00 0.00 O ATOM 0 H GLU A 25 -6.102 -3.668 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.727 -4.689 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.965 -3.245 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.920 -1.968 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.183 -3.630 -11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.527 -4.634 -10.877 1.00 0.00 H new ATOM 361 N GLU A 26 -3.549 -1.677 -8.480 1.00 0.00 N ATOM 362 CA GLU A 26 -2.390 -0.814 -8.640 1.00 0.00 C ATOM 363 C GLU A 26 -1.167 -1.436 -7.964 1.00 0.00 C ATOM 364 O GLU A 26 -0.044 -1.280 -8.440 1.00 0.00 O ATOM 365 CB GLU A 26 -2.670 0.586 -8.089 1.00 0.00 C ATOM 366 CG GLU A 26 -1.481 1.518 -8.332 1.00 0.00 C ATOM 367 CD GLU A 26 -1.751 2.912 -7.762 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.791 3.055 -7.083 1.00 0.00 O ATOM 369 OE2 GLU A 26 -0.912 3.802 -8.018 1.00 0.00 O ATOM 0 H GLU A 26 -4.312 -1.271 -7.939 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.179 -0.714 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.561 0.996 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.877 0.526 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.586 1.100 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.284 1.591 -9.402 1.00 0.00 H new ATOM 374 N VAL A 27 -1.428 -2.130 -6.866 1.00 0.00 N ATOM 375 CA VAL A 27 -0.361 -2.776 -6.119 1.00 0.00 C ATOM 376 C VAL A 27 0.207 -3.931 -6.947 1.00 0.00 C ATOM 377 O VAL A 27 1.335 -3.857 -7.431 1.00 0.00 O ATOM 378 CB VAL A 27 -0.877 -3.221 -4.749 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.349 -4.611 -4.389 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.513 -2.200 -3.669 1.00 0.00 C ATOM 0 H VAL A 27 -2.361 -2.259 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 27 0.454 -2.076 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.964 -3.279 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.731 -4.903 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.680 -5.331 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.740 -4.591 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.891 -2.540 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.571 -2.096 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.959 -1.236 -3.914 1.00 0.00 H new ATOM 390 N THR A 28 -0.601 -4.973 -7.084 1.00 0.00 N ATOM 391 CA THR A 28 -0.194 -6.141 -7.845 1.00 0.00 C ATOM 392 C THR A 28 0.451 -5.719 -9.166 1.00 0.00 C ATOM 393 O THR A 28 1.341 -6.401 -9.672 1.00 0.00 O ATOM 394 CB THR A 28 -1.419 -7.040 -8.026 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.479 -7.793 -6.818 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.216 -8.095 -9.115 1.00 0.00 C ATOM 0 H THR A 28 -1.536 -5.032 -6.680 1.00 0.00 H new ATOM 0 HA THR A 28 0.569 -6.711 -7.315 1.00 0.00 H new ATOM 0 HB THR A 28 -2.286 -6.427 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.247 -8.401 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.115 -8.706 -9.202 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.018 -7.602 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.370 -8.730 -8.853 1.00 0.00 H new ATOM 404 N SER A 29 -0.024 -4.597 -9.688 1.00 0.00 N ATOM 405 CA SER A 29 0.496 -4.077 -10.941 1.00 0.00 C ATOM 406 C SER A 29 1.956 -3.654 -10.768 1.00 0.00 C ATOM 407 O SER A 29 2.822 -4.077 -11.531 1.00 0.00 O ATOM 408 CB SER A 29 -0.342 -2.895 -11.435 1.00 0.00 C ATOM 409 OG SER A 29 0.078 -2.443 -12.720 1.00 0.00 O ATOM 0 H SER A 29 -0.763 -4.034 -9.266 1.00 0.00 H new ATOM 0 HA SER A 29 0.440 -4.868 -11.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.391 -3.187 -11.479 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.269 -2.075 -10.721 1.00 0.00 H new ATOM 0 HG SER A 29 -0.482 -1.689 -13.001 1.00 0.00 H new ATOM 414 N PHE A 30 2.184 -2.828 -9.758 1.00 0.00 N ATOM 415 CA PHE A 30 3.525 -2.345 -9.475 1.00 0.00 C ATOM 416 C PHE A 30 4.337 -3.394 -8.714 1.00 0.00 C ATOM 417 O PHE A 30 5.552 -3.485 -8.880 1.00 0.00 O ATOM 418 CB PHE A 30 3.376 -1.098 -8.599 1.00 0.00 C ATOM 419 CG PHE A 30 4.146 0.119 -9.113 1.00 0.00 C ATOM 420 CD1 PHE A 30 3.689 0.806 -10.194 1.00 0.00 C ATOM 421 CD2 PHE A 30 5.288 0.515 -8.489 1.00 0.00 C ATOM 422 CE1 PHE A 30 4.404 1.937 -10.672 1.00 0.00 C ATOM 423 CE2 PHE A 30 6.002 1.646 -8.965 1.00 0.00 C ATOM 424 CZ PHE A 30 5.547 2.332 -10.047 1.00 0.00 C ATOM 0 H PHE A 30 1.463 -2.481 -9.125 1.00 0.00 H new ATOM 0 HA PHE A 30 4.046 -2.128 -10.407 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.319 -0.842 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.718 -1.332 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.782 0.492 -10.689 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.652 -0.031 -7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.041 2.483 -11.530 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.907 1.962 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.092 3.190 -10.411 1.00 0.00 H new ATOM 433 N PHE A 31 3.632 -4.162 -7.895 1.00 0.00 N ATOM 434 CA PHE A 31 4.272 -5.202 -7.108 1.00 0.00 C ATOM 435 C PHE A 31 4.515 -6.456 -7.950 1.00 0.00 C ATOM 436 O PHE A 31 5.339 -7.297 -7.594 1.00 0.00 O ATOM 437 CB PHE A 31 3.317 -5.548 -5.963 1.00 0.00 C ATOM 438 CG PHE A 31 3.457 -4.640 -4.740 1.00 0.00 C ATOM 439 CD1 PHE A 31 4.358 -4.943 -3.768 1.00 0.00 C ATOM 440 CD2 PHE A 31 2.680 -3.529 -4.625 1.00 0.00 C ATOM 441 CE1 PHE A 31 4.488 -4.101 -2.632 1.00 0.00 C ATOM 442 CE2 PHE A 31 2.810 -2.687 -3.490 1.00 0.00 C ATOM 443 CZ PHE A 31 3.711 -2.991 -2.516 1.00 0.00 C ATOM 0 H PHE A 31 2.624 -4.084 -7.760 1.00 0.00 H new ATOM 0 HA PHE A 31 5.237 -4.851 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.292 -5.492 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.490 -6.580 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.975 -5.825 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.965 -3.288 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.204 -4.342 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.194 -1.805 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.809 -2.351 -1.652 1.00 0.00 H new ATOM 452 N LYS A 32 3.782 -6.541 -9.051 1.00 0.00 N ATOM 453 CA LYS A 32 3.909 -7.678 -9.947 1.00 0.00 C ATOM 454 C LYS A 32 5.391 -7.994 -10.158 1.00 0.00 C ATOM 455 O LYS A 32 5.753 -9.139 -10.427 1.00 0.00 O ATOM 456 CB LYS A 32 3.142 -7.424 -11.247 1.00 0.00 C ATOM 457 CG LYS A 32 1.922 -8.343 -11.353 1.00 0.00 C ATOM 458 CD LYS A 32 2.142 -9.425 -12.411 1.00 0.00 C ATOM 459 CE LYS A 32 2.450 -10.775 -11.758 1.00 0.00 C ATOM 460 NZ LYS A 32 1.645 -11.848 -12.383 1.00 0.00 N ATOM 0 H LYS A 32 3.099 -5.842 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 32 3.455 -8.564 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.822 -6.383 -11.287 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.801 -7.588 -12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.728 -8.808 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.040 -7.755 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.254 -9.514 -13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.965 -9.137 -13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.511 -11.002 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.236 -10.727 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.866 -12.757 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.634 -11.638 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.869 -11.904 -13.397 1.00 0.00 H new ATOM 470 N LYS A 33 6.207 -6.959 -10.030 1.00 0.00 N ATOM 471 CA LYS A 33 7.642 -7.111 -10.205 1.00 0.00 C ATOM 472 C LYS A 33 8.260 -7.605 -8.896 1.00 0.00 C ATOM 473 O LYS A 33 9.126 -8.478 -8.906 1.00 0.00 O ATOM 474 CB LYS A 33 8.259 -5.811 -10.725 1.00 0.00 C ATOM 475 CG LYS A 33 9.763 -5.974 -10.959 1.00 0.00 C ATOM 476 CD LYS A 33 10.494 -4.642 -10.775 1.00 0.00 C ATOM 477 CE LYS A 33 11.990 -4.794 -11.058 1.00 0.00 C ATOM 478 NZ LYS A 33 12.755 -3.719 -10.390 1.00 0.00 N ATOM 0 H LYS A 33 5.902 -6.011 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 33 7.856 -7.864 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.772 -5.520 -11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.083 -5.009 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.165 -6.712 -10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.939 -6.354 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.068 -3.894 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.348 -4.280 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.336 -5.766 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.168 -4.761 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.768 -3.837 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.436 -2.795 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.599 -3.769 -9.363 1.00 0.00 H new ATOM 488 N HIS A 34 7.790 -7.026 -7.801 1.00 0.00 N ATOM 489 CA HIS A 34 8.286 -7.397 -6.486 1.00 0.00 C ATOM 490 C HIS A 34 7.739 -8.772 -6.100 1.00 0.00 C ATOM 491 O HIS A 34 7.834 -9.722 -6.876 1.00 0.00 O ATOM 492 CB HIS A 34 7.955 -6.315 -5.455 1.00 0.00 C ATOM 493 CG HIS A 34 8.464 -4.941 -5.820 1.00 0.00 C ATOM 494 ND1 HIS A 34 7.884 -4.166 -6.809 1.00 0.00 N ATOM 495 CD2 HIS A 34 9.502 -4.213 -5.319 1.00 0.00 C ATOM 496 CE1 HIS A 34 8.552 -3.024 -6.891 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.555 -3.056 -5.967 1.00 0.00 N ATOM 0 H HIS A 34 7.071 -6.303 -7.797 1.00 0.00 H new ATOM 0 HA HIS A 34 9.373 -7.472 -6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.874 -6.268 -5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.377 -6.604 -4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.168 -4.525 -4.529 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.340 -2.211 -7.570 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.234 -2.313 -5.801 1.00 0.00 H new ATOM 504 N GLY A 35 7.179 -8.835 -4.902 1.00 0.00 N ATOM 505 CA GLY A 35 6.617 -10.079 -4.403 1.00 0.00 C ATOM 506 C GLY A 35 5.088 -10.015 -4.371 1.00 0.00 C ATOM 507 O GLY A 35 4.466 -10.433 -3.396 1.00 0.00 O ATOM 0 H GLY A 35 7.102 -8.045 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.937 -10.907 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.997 -10.278 -3.401 1.00 0.00 H new ATOM 511 N ILE A 36 4.527 -9.490 -5.450 1.00 0.00 N ATOM 512 CA ILE A 36 3.083 -9.366 -5.558 1.00 0.00 C ATOM 513 C ILE A 36 2.420 -10.544 -4.842 1.00 0.00 C ATOM 514 O ILE A 36 1.380 -10.381 -4.205 1.00 0.00 O ATOM 515 CB ILE A 36 2.667 -9.225 -7.023 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.148 -9.082 -7.150 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.206 -10.385 -7.862 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.475 -10.453 -7.243 1.00 0.00 C ATOM 0 H ILE A 36 5.046 -9.145 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 36 2.740 -8.457 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 36 3.111 -8.311 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.757 -8.538 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.907 -8.494 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.895 -10.259 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.295 -10.398 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.813 -11.326 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.604 -10.324 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.851 -10.984 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.698 -11.029 -6.345 1.00 0.00 H new ATOM 529 N GLU A 37 3.049 -11.703 -4.969 1.00 0.00 N ATOM 530 CA GLU A 37 2.533 -12.907 -4.341 1.00 0.00 C ATOM 531 C GLU A 37 2.181 -12.634 -2.877 1.00 0.00 C ATOM 532 O GLU A 37 1.006 -12.580 -2.517 1.00 0.00 O ATOM 533 CB GLU A 37 3.533 -14.059 -4.460 1.00 0.00 C ATOM 534 CG GLU A 37 4.971 -13.550 -4.351 1.00 0.00 C ATOM 535 CD GLU A 37 5.723 -13.743 -5.668 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.583 -14.844 -6.245 1.00 0.00 O ATOM 537 OE2 GLU A 37 6.421 -12.787 -6.070 1.00 0.00 O ATOM 0 H GLU A 37 3.911 -11.834 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 37 1.623 -13.204 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.343 -14.793 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.395 -14.568 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.967 -12.494 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.489 -14.080 -3.552 1.00 0.00 H new ATOM 542 N LYS A 38 3.222 -12.468 -2.073 1.00 0.00 N ATOM 543 CA LYS A 38 3.037 -12.202 -0.657 1.00 0.00 C ATOM 544 C LYS A 38 2.253 -10.900 -0.485 1.00 0.00 C ATOM 545 O LYS A 38 1.202 -10.884 0.153 1.00 0.00 O ATOM 546 CB LYS A 38 4.384 -12.209 0.068 1.00 0.00 C ATOM 547 CG LYS A 38 4.196 -12.017 1.575 1.00 0.00 C ATOM 548 CD LYS A 38 4.329 -13.348 2.318 1.00 0.00 C ATOM 549 CE LYS A 38 2.955 -13.964 2.592 1.00 0.00 C ATOM 550 NZ LYS A 38 2.759 -14.167 4.044 1.00 0.00 N ATOM 0 H LYS A 38 4.195 -12.513 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 38 2.447 -12.993 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.898 -13.151 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.018 -11.415 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.937 -11.311 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.215 -11.584 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.930 -14.039 1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.856 -13.192 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.173 -13.313 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.866 -14.917 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.822 -14.586 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.494 -14.806 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.823 -13.252 4.534 1.00 0.00 H new ATOM 560 N VAL A 39 2.794 -9.839 -1.065 1.00 0.00 N ATOM 561 CA VAL A 39 2.159 -8.535 -0.985 1.00 0.00 C ATOM 562 C VAL A 39 0.653 -8.693 -1.207 1.00 0.00 C ATOM 563 O VAL A 39 -0.150 -8.121 -0.472 1.00 0.00 O ATOM 564 CB VAL A 39 2.812 -7.572 -1.977 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.960 -6.314 -2.162 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.232 -7.211 -1.538 1.00 0.00 C ATOM 0 H VAL A 39 3.666 -9.856 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 39 2.299 -8.102 0.005 1.00 0.00 H new ATOM 0 HB VAL A 39 2.877 -8.078 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.447 -5.646 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.977 -6.593 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.848 -5.806 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.673 -6.525 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.200 -6.734 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.836 -8.116 -1.481 1.00 0.00 H new ATOM 576 N ALA A 40 0.316 -9.471 -2.225 1.00 0.00 N ATOM 577 CA ALA A 40 -1.080 -9.711 -2.554 1.00 0.00 C ATOM 578 C ALA A 40 -1.784 -10.332 -1.346 1.00 0.00 C ATOM 579 O ALA A 40 -2.871 -9.898 -0.966 1.00 0.00 O ATOM 580 CB ALA A 40 -1.166 -10.596 -3.798 1.00 0.00 C ATOM 0 H ALA A 40 0.985 -9.943 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.587 -8.774 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.212 -10.776 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.677 -10.097 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.670 -11.547 -3.603 1.00 0.00 H new ATOM 586 N GLU A 41 -1.136 -11.337 -0.775 1.00 0.00 N ATOM 587 CA GLU A 41 -1.687 -12.022 0.382 1.00 0.00 C ATOM 588 C GLU A 41 -1.741 -11.076 1.583 1.00 0.00 C ATOM 589 O GLU A 41 -2.754 -11.003 2.276 1.00 0.00 O ATOM 590 CB GLU A 41 -0.881 -13.280 0.710 1.00 0.00 C ATOM 591 CG GLU A 41 -1.657 -14.198 1.655 1.00 0.00 C ATOM 592 CD GLU A 41 -1.388 -15.670 1.334 1.00 0.00 C ATOM 593 OE1 GLU A 41 -1.387 -15.996 0.128 1.00 0.00 O ATOM 594 OE2 GLU A 41 -1.190 -16.434 2.303 1.00 0.00 O ATOM 0 H GLU A 41 -0.234 -11.693 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.704 -12.334 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.645 -13.815 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.068 -12.999 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.372 -13.989 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.724 -13.993 1.572 1.00 0.00 H new ATOM 599 N GLN A 42 -0.637 -10.375 1.793 1.00 0.00 N ATOM 600 CA GLN A 42 -0.544 -9.436 2.898 1.00 0.00 C ATOM 601 C GLN A 42 -1.552 -8.299 2.714 1.00 0.00 C ATOM 602 O GLN A 42 -2.230 -7.906 3.663 1.00 0.00 O ATOM 603 CB GLN A 42 0.878 -8.891 3.038 1.00 0.00 C ATOM 604 CG GLN A 42 1.340 -8.932 4.496 1.00 0.00 C ATOM 605 CD GLN A 42 2.798 -9.385 4.597 1.00 0.00 C ATOM 606 OE1 GLN A 42 3.519 -9.464 3.616 1.00 0.00 O ATOM 607 NE2 GLN A 42 3.191 -9.677 5.833 1.00 0.00 N ATOM 0 H GLN A 42 0.202 -10.438 1.216 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.786 -9.965 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.558 -9.477 2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.916 -7.866 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.231 -7.944 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.704 -9.611 5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.536 -9.589 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.147 -9.989 6.004 1.00 0.00 H new ATOM 614 N VAL A 43 -1.618 -7.802 1.488 1.00 0.00 N ATOM 615 CA VAL A 43 -2.532 -6.719 1.167 1.00 0.00 C ATOM 616 C VAL A 43 -3.973 -7.209 1.320 1.00 0.00 C ATOM 617 O VAL A 43 -4.833 -6.477 1.804 1.00 0.00 O ATOM 618 CB VAL A 43 -2.229 -6.176 -0.230 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.447 -5.457 -0.814 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.007 -5.255 -0.209 1.00 0.00 C ATOM 0 H VAL A 43 -1.053 -8.129 0.704 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.398 -5.888 1.860 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.998 -7.023 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.205 -5.080 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.282 -6.154 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.722 -4.624 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.814 -4.883 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.196 -4.414 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.139 -5.811 0.145 1.00 0.00 H new ATOM 630 N MET A 44 -4.190 -8.446 0.897 1.00 0.00 N ATOM 631 CA MET A 44 -5.512 -9.044 0.980 1.00 0.00 C ATOM 632 C MET A 44 -5.997 -9.103 2.430 1.00 0.00 C ATOM 633 O MET A 44 -7.159 -8.816 2.711 1.00 0.00 O ATOM 634 CB MET A 44 -5.470 -10.458 0.398 1.00 0.00 C ATOM 635 CG MET A 44 -6.882 -11.022 0.226 1.00 0.00 C ATOM 636 SD MET A 44 -7.356 -11.936 1.684 1.00 0.00 S ATOM 637 CE MET A 44 -9.079 -11.482 1.789 1.00 0.00 C ATOM 0 H MET A 44 -3.473 -9.050 0.496 1.00 0.00 H new ATOM 0 HA MET A 44 -6.206 -8.427 0.409 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.960 -10.444 -0.565 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.892 -11.108 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.588 -10.210 0.050 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.919 -11.672 -0.649 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.532 -11.970 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.164 -10.401 1.897 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.594 -11.798 0.882 1.00 0.00 H new ATOM 645 N LYS A 45 -5.082 -9.476 3.312 1.00 0.00 N ATOM 646 CA LYS A 45 -5.402 -9.577 4.726 1.00 0.00 C ATOM 647 C LYS A 45 -5.356 -8.182 5.354 1.00 0.00 C ATOM 648 O LYS A 45 -5.931 -7.958 6.418 1.00 0.00 O ATOM 649 CB LYS A 45 -4.484 -10.591 5.413 1.00 0.00 C ATOM 650 CG LYS A 45 -5.237 -11.884 5.730 1.00 0.00 C ATOM 651 CD LYS A 45 -5.985 -11.770 7.060 1.00 0.00 C ATOM 652 CE LYS A 45 -6.114 -13.137 7.735 1.00 0.00 C ATOM 653 NZ LYS A 45 -6.129 -12.989 9.207 1.00 0.00 N ATOM 0 H LYS A 45 -4.118 -9.712 3.075 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.415 -9.956 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.632 -10.810 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.086 -10.162 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.943 -12.104 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.535 -12.717 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.457 -11.083 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.976 -11.350 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.029 -13.628 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.283 -13.776 7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.217 -13.926 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.244 -12.540 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.936 -12.396 9.488 1.00 0.00 H new ATOM 663 N ALA A 46 -4.667 -7.281 4.670 1.00 0.00 N ATOM 664 CA ALA A 46 -4.539 -5.916 5.147 1.00 0.00 C ATOM 665 C ALA A 46 -5.855 -5.171 4.909 1.00 0.00 C ATOM 666 O ALA A 46 -6.356 -4.490 5.801 1.00 0.00 O ATOM 667 CB ALA A 46 -3.353 -5.240 4.455 1.00 0.00 C ATOM 0 H ALA A 46 -4.191 -7.471 3.788 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.341 -5.902 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.258 -4.215 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.439 -5.789 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.516 -5.233 3.377 1.00 0.00 H new ATOM 673 N ASP A 47 -6.375 -5.327 3.701 1.00 0.00 N ATOM 674 CA ASP A 47 -7.623 -4.678 3.334 1.00 0.00 C ATOM 675 C ASP A 47 -8.590 -4.736 4.518 1.00 0.00 C ATOM 676 O ASP A 47 -8.903 -3.710 5.119 1.00 0.00 O ATOM 677 CB ASP A 47 -8.283 -5.384 2.149 1.00 0.00 C ATOM 678 CG ASP A 47 -8.675 -4.469 0.987 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.326 -3.440 1.270 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.315 -4.820 -0.158 1.00 0.00 O ATOM 0 H ASP A 47 -5.955 -5.893 2.963 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.399 -3.647 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.602 -6.149 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.176 -5.899 2.504 1.00 0.00 H new ATOM 684 N ALA A 48 -9.036 -5.948 4.818 1.00 0.00 N ATOM 685 CA ALA A 48 -9.961 -6.153 5.919 1.00 0.00 C ATOM 686 C ALA A 48 -11.327 -5.574 5.547 1.00 0.00 C ATOM 687 O ALA A 48 -12.323 -6.295 5.515 1.00 0.00 O ATOM 688 CB ALA A 48 -9.388 -5.524 7.191 1.00 0.00 C ATOM 0 H ALA A 48 -8.774 -6.797 4.317 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.096 -7.217 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.082 -5.678 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.432 -5.990 7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.241 -4.455 7.034 1.00 0.00 H new ATOM 694 N ASN A 49 -11.329 -4.277 5.273 1.00 0.00 N ATOM 695 CA ASN A 49 -12.557 -3.593 4.904 1.00 0.00 C ATOM 696 C ASN A 49 -13.409 -4.518 4.031 1.00 0.00 C ATOM 697 O ASN A 49 -14.574 -4.766 4.336 1.00 0.00 O ATOM 698 CB ASN A 49 -12.261 -2.325 4.101 1.00 0.00 C ATOM 699 CG ASN A 49 -13.554 -1.685 3.591 1.00 0.00 C ATOM 700 OD1 ASN A 49 -14.650 -2.161 3.832 1.00 0.00 O ATOM 701 ND2 ASN A 49 -13.363 -0.581 2.873 1.00 0.00 N ATOM 0 H ASN A 49 -10.501 -3.683 5.299 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.082 -3.325 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.720 -1.613 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.614 -2.567 3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.163 -0.079 2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.417 -0.237 2.709 1.00 0.00 H new ATOM 707 N GLY A 50 -12.793 -5.000 2.962 1.00 0.00 N ATOM 708 CA GLY A 50 -13.480 -5.892 2.042 1.00 0.00 C ATOM 709 C GLY A 50 -12.786 -5.913 0.679 1.00 0.00 C ATOM 710 O GLY A 50 -12.630 -6.974 0.074 1.00 0.00 O ATOM 0 H GLY A 50 -11.827 -4.790 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.505 -6.900 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.515 -5.571 1.923 1.00 0.00 H new ATOM 714 N ASP A 51 -12.389 -4.730 0.234 1.00 0.00 N ATOM 715 CA ASP A 51 -11.715 -4.600 -1.047 1.00 0.00 C ATOM 716 C ASP A 51 -11.527 -3.116 -1.371 1.00 0.00 C ATOM 717 O ASP A 51 -12.128 -2.603 -2.314 1.00 0.00 O ATOM 718 CB ASP A 51 -12.542 -5.228 -2.171 1.00 0.00 C ATOM 719 CG ASP A 51 -12.211 -6.691 -2.477 1.00 0.00 C ATOM 720 OD1 ASP A 51 -11.013 -6.966 -2.701 1.00 0.00 O ATOM 721 OD2 ASP A 51 -13.164 -7.499 -2.481 1.00 0.00 O ATOM 0 H ASP A 51 -12.521 -3.853 0.738 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.755 -5.112 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.598 -5.157 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.399 -4.641 -3.078 1.00 0.00 H new ATOM 725 N GLY A 52 -10.692 -2.470 -0.571 1.00 0.00 N ATOM 726 CA GLY A 52 -10.418 -1.056 -0.762 1.00 0.00 C ATOM 727 C GLY A 52 -8.944 -0.824 -1.103 1.00 0.00 C ATOM 728 O GLY A 52 -8.325 -1.641 -1.783 1.00 0.00 O ATOM 0 H GLY A 52 -10.196 -2.899 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.046 -0.665 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.676 -0.506 0.143 1.00 0.00 H new ATOM 732 N TYR A 53 -8.426 0.294 -0.615 1.00 0.00 N ATOM 733 CA TYR A 53 -7.037 0.644 -0.861 1.00 0.00 C ATOM 734 C TYR A 53 -6.394 1.244 0.390 1.00 0.00 C ATOM 735 O TYR A 53 -7.090 1.599 1.341 1.00 0.00 O ATOM 736 CB TYR A 53 -7.057 1.700 -1.967 1.00 0.00 C ATOM 737 CG TYR A 53 -8.277 2.623 -1.924 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.580 3.314 -0.768 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.076 2.764 -3.041 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.728 4.182 -0.728 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.224 3.632 -3.001 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.493 4.299 -1.846 1.00 0.00 C ATOM 743 OH TYR A 53 -11.578 5.118 -1.808 1.00 0.00 O ATOM 0 H TYR A 53 -8.943 0.969 -0.051 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.462 -0.239 -1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.153 2.305 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.027 1.199 -2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.956 3.203 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.840 2.223 -3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.976 4.728 0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.857 3.751 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.029 5.104 -2.678 1.00 0.00 H new ATOM 752 N ILE A 54 -5.074 1.339 0.351 1.00 0.00 N ATOM 753 CA ILE A 54 -4.328 1.891 1.469 1.00 0.00 C ATOM 754 C ILE A 54 -4.001 3.358 1.184 1.00 0.00 C ATOM 755 O ILE A 54 -3.084 3.657 0.421 1.00 0.00 O ATOM 756 CB ILE A 54 -3.097 1.033 1.768 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.301 0.204 3.037 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.834 1.894 1.843 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.035 -1.102 2.727 1.00 0.00 C ATOM 0 H ILE A 54 -4.500 1.043 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.931 1.869 2.377 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.961 0.332 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.335 -0.017 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.871 0.781 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.974 1.260 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.683 2.402 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.945 2.634 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.167 -1.672 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.011 -0.878 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.451 -1.688 2.017 1.00 0.00 H new ATOM 770 N THR A 55 -4.769 4.236 1.814 1.00 0.00 N ATOM 771 CA THR A 55 -4.573 5.664 1.638 1.00 0.00 C ATOM 772 C THR A 55 -3.680 6.221 2.749 1.00 0.00 C ATOM 773 O THR A 55 -3.712 5.734 3.878 1.00 0.00 O ATOM 774 CB THR A 55 -5.950 6.327 1.576 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.412 6.294 2.925 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.973 5.483 0.813 1.00 0.00 C ATOM 0 H THR A 55 -5.528 3.985 2.447 1.00 0.00 H new ATOM 0 HA THR A 55 -4.051 5.879 0.706 1.00 0.00 H new ATOM 0 HB THR A 55 -5.861 7.305 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.392 6.319 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.933 5.999 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.628 5.330 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.088 4.517 1.305 1.00 0.00 H new ATOM 784 N LEU A 56 -2.904 7.232 2.389 1.00 0.00 N ATOM 785 CA LEU A 56 -2.003 7.860 3.342 1.00 0.00 C ATOM 786 C LEU A 56 -2.729 8.049 4.675 1.00 0.00 C ATOM 787 O LEU A 56 -2.137 7.873 5.739 1.00 0.00 O ATOM 788 CB LEU A 56 -1.432 9.157 2.764 1.00 0.00 C ATOM 789 CG LEU A 56 -0.879 9.070 1.340 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.636 10.011 0.400 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.628 9.330 1.320 1.00 0.00 C ATOM 0 H LEU A 56 -2.880 7.632 1.451 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.144 7.218 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.215 9.915 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.635 9.505 3.421 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.035 8.055 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.223 9.930 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.691 9.737 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.534 11.037 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.995 9.262 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.831 10.326 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.134 8.587 1.937 1.00 0.00 H new ATOM 802 N GLU A 57 -4.002 8.404 4.575 1.00 0.00 N ATOM 803 CA GLU A 57 -4.815 8.618 5.760 1.00 0.00 C ATOM 804 C GLU A 57 -5.032 7.297 6.501 1.00 0.00 C ATOM 805 O GLU A 57 -4.937 7.246 7.726 1.00 0.00 O ATOM 806 CB GLU A 57 -6.151 9.270 5.398 1.00 0.00 C ATOM 807 CG GLU A 57 -6.913 8.426 4.374 1.00 0.00 C ATOM 808 CD GLU A 57 -8.310 8.998 4.123 1.00 0.00 C ATOM 809 OE1 GLU A 57 -9.035 9.182 5.124 1.00 0.00 O ATOM 810 OE2 GLU A 57 -8.620 9.237 2.936 1.00 0.00 O ATOM 0 H GLU A 57 -4.490 8.549 3.691 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.283 9.300 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.756 9.392 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.976 10.267 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.356 8.393 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.995 7.400 4.732 1.00 0.00 H new ATOM 815 N GLU A 58 -5.319 6.261 5.726 1.00 0.00 N ATOM 816 CA GLU A 58 -5.550 4.944 6.293 1.00 0.00 C ATOM 817 C GLU A 58 -4.224 4.306 6.712 1.00 0.00 C ATOM 818 O GLU A 58 -4.183 3.507 7.646 1.00 0.00 O ATOM 819 CB GLU A 58 -6.303 4.047 5.308 1.00 0.00 C ATOM 820 CG GLU A 58 -6.516 2.649 5.892 1.00 0.00 C ATOM 821 CD GLU A 58 -7.795 2.015 5.343 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.852 2.671 5.462 1.00 0.00 O ATOM 823 OE2 GLU A 58 -7.687 0.886 4.815 1.00 0.00 O ATOM 0 H GLU A 58 -5.397 6.308 4.710 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.173 5.056 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.267 4.495 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.743 3.974 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.661 2.017 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.573 2.710 6.979 1.00 0.00 H new ATOM 828 N PHE A 59 -3.171 4.683 6.000 1.00 0.00 N ATOM 829 CA PHE A 59 -1.847 4.158 6.287 1.00 0.00 C ATOM 830 C PHE A 59 -1.246 4.832 7.521 1.00 0.00 C ATOM 831 O PHE A 59 -0.440 4.230 8.230 1.00 0.00 O ATOM 832 CB PHE A 59 -0.971 4.470 5.072 1.00 0.00 C ATOM 833 CG PHE A 59 -0.093 3.300 4.622 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.583 2.032 4.651 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.177 3.529 4.193 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.232 0.946 4.234 1.00 0.00 C ATOM 837 CE2 PHE A 59 1.991 2.443 3.776 1.00 0.00 C ATOM 838 CZ PHE A 59 1.502 1.174 3.804 1.00 0.00 C ATOM 0 H PHE A 59 -3.208 5.346 5.225 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.905 3.087 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.611 4.771 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.332 5.321 5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.592 1.851 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.566 4.536 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.157 -0.061 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.000 2.625 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.121 0.349 3.485 1.00 0.00 H new ATOM 847 N LEU A 60 -1.660 6.071 7.742 1.00 0.00 N ATOM 848 CA LEU A 60 -1.173 6.833 8.879 1.00 0.00 C ATOM 849 C LEU A 60 -1.928 6.403 10.137 1.00 0.00 C ATOM 850 O LEU A 60 -1.324 6.190 11.187 1.00 0.00 O ATOM 851 CB LEU A 60 -1.256 8.333 8.594 1.00 0.00 C ATOM 852 CG LEU A 60 -0.635 9.252 9.648 1.00 0.00 C ATOM 853 CD1 LEU A 60 0.513 10.071 9.054 1.00 0.00 C ATOM 854 CD2 LEU A 60 -1.698 10.141 10.296 1.00 0.00 C ATOM 0 H LEU A 60 -2.328 6.567 7.152 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.118 6.624 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.769 8.528 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.306 8.603 8.478 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.212 8.630 10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.937 10.716 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.284 9.398 8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.137 10.684 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.230 10.784 11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.172 10.757 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.451 9.516 10.777 1.00 0.00 H new ATOM 865 N GLU A 61 -3.240 6.289 9.991 1.00 0.00 N ATOM 866 CA GLU A 61 -4.085 5.889 11.104 1.00 0.00 C ATOM 867 C GLU A 61 -3.903 4.398 11.399 1.00 0.00 C ATOM 868 O GLU A 61 -4.059 3.964 12.540 1.00 0.00 O ATOM 869 CB GLU A 61 -5.553 6.217 10.823 1.00 0.00 C ATOM 870 CG GLU A 61 -6.305 6.518 12.119 1.00 0.00 C ATOM 871 CD GLU A 61 -6.112 7.978 12.539 1.00 0.00 C ATOM 872 OE1 GLU A 61 -4.969 8.310 12.925 1.00 0.00 O ATOM 873 OE2 GLU A 61 -7.109 8.727 12.464 1.00 0.00 O ATOM 0 H GLU A 61 -3.739 6.467 9.119 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.783 6.454 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.616 7.075 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.025 5.379 10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.367 6.312 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.951 5.858 12.911 1.00 0.00 H new ATOM 878 N PHE A 62 -3.575 3.656 10.352 1.00 0.00 N ATOM 879 CA PHE A 62 -3.370 2.223 10.485 1.00 0.00 C ATOM 880 C PHE A 62 -2.219 1.921 11.444 1.00 0.00 C ATOM 881 O PHE A 62 -2.310 1.006 12.262 1.00 0.00 O ATOM 882 CB PHE A 62 -3.014 1.691 9.095 1.00 0.00 C ATOM 883 CG PHE A 62 -2.190 0.402 9.114 1.00 0.00 C ATOM 884 CD1 PHE A 62 -0.838 0.462 9.247 1.00 0.00 C ATOM 885 CD2 PHE A 62 -2.811 -0.803 8.999 1.00 0.00 C ATOM 886 CE1 PHE A 62 -0.074 -0.735 9.266 1.00 0.00 C ATOM 887 CE2 PHE A 62 -2.046 -1.999 9.017 1.00 0.00 C ATOM 888 CZ PHE A 62 -0.693 -1.940 9.150 1.00 0.00 C ATOM 0 H PHE A 62 -3.446 4.020 9.408 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.270 1.754 10.882 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.934 1.514 8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.458 2.458 8.555 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.346 1.419 9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.885 -0.850 8.894 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.000 -0.688 9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.538 -2.956 8.925 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.111 -2.850 9.163 1.00 0.00 H new ATOM 897 N SER A 63 -1.160 2.708 11.314 1.00 0.00 N ATOM 898 CA SER A 63 0.009 2.535 12.159 1.00 0.00 C ATOM 899 C SER A 63 -0.248 3.149 13.538 1.00 0.00 C ATOM 900 O SER A 63 0.224 2.632 14.548 1.00 0.00 O ATOM 901 CB SER A 63 1.249 3.165 11.520 1.00 0.00 C ATOM 902 OG SER A 63 2.034 2.206 10.819 1.00 0.00 O ATOM 0 H SER A 63 -1.088 3.467 10.636 1.00 0.00 H new ATOM 0 HA SER A 63 0.195 1.467 12.272 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.942 3.954 10.833 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.856 3.635 12.294 1.00 0.00 H new ATOM 0 HG SER A 63 2.815 2.648 10.424 1.00 0.00 H new ATOM 907 N LEU A 64 -0.994 4.243 13.533 1.00 0.00 N ATOM 908 CA LEU A 64 -1.320 4.932 14.771 1.00 0.00 C ATOM 909 C LEU A 64 -2.469 4.202 15.470 1.00 0.00 C ATOM 910 O LEU A 64 -2.525 4.159 16.698 1.00 0.00 O ATOM 911 CB LEU A 64 -1.605 6.411 14.502 1.00 0.00 C ATOM 912 CG LEU A 64 -1.794 7.294 15.737 1.00 0.00 C ATOM 913 CD1 LEU A 64 -0.509 8.053 16.071 1.00 0.00 C ATOM 914 CD2 LEU A 64 -2.987 8.235 15.561 1.00 0.00 C ATOM 0 H LEU A 64 -1.382 4.670 12.692 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.469 4.913 15.452 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.783 6.817 13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.503 6.482 13.889 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.016 6.649 16.587 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.671 8.673 16.953 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.292 7.342 16.270 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.231 8.686 15.229 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.099 8.851 16.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.820 8.876 14.696 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.893 7.649 15.409 1.00 0.00 H new TER 925 LEU A 64 HETATM 926 LA LA A 226 -3.494 4.663 -7.096 1.00 0.00 LA