USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 646 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 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= 0.829! (180deg=-0.00019) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 170:sc= -1.9 (180deg=-2.9) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 61:sc= 0.712 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 66 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 87:sc= 1.17 USER MOD Single : A 79 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.79) USER MOD Single : A 83 SER OG : rot -71:sc= 1.23 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 39:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 2.616 -22.062 -3.093 1.00 0.00 N ATOM 2 CA MET A 15 2.585 -22.445 -1.651 1.00 0.00 C ATOM 3 C MET A 15 2.731 -21.220 -0.742 1.00 0.00 C ATOM 4 O MET A 15 3.742 -20.515 -0.800 1.00 0.00 O ATOM 5 CB MET A 15 3.716 -23.447 -1.381 1.00 0.00 C ATOM 6 CG MET A 15 3.592 -24.167 -0.046 1.00 0.00 C ATOM 7 SD MET A 15 4.586 -23.401 1.248 1.00 0.00 S ATOM 8 CE MET A 15 6.208 -24.055 0.859 1.00 0.00 C ATOM 0 HA MET A 15 1.620 -22.901 -1.428 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.733 -24.186 -2.182 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.670 -22.921 -1.412 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.546 -24.177 0.262 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.898 -25.206 -0.168 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.936 -23.671 1.574 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.184 -25.143 0.914 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.492 -23.749 -0.148 1.00 0.00 H new ATOM 18 N MET A 16 1.712 -20.963 0.084 1.00 0.00 N ATOM 19 CA MET A 16 1.712 -19.821 1.007 1.00 0.00 C ATOM 20 C MET A 16 1.581 -18.489 0.261 1.00 0.00 C ATOM 21 O MET A 16 0.651 -17.723 0.512 1.00 0.00 O ATOM 22 CB MET A 16 2.983 -19.826 1.867 1.00 0.00 C ATOM 23 CG MET A 16 2.773 -19.283 3.270 1.00 0.00 C ATOM 24 SD MET A 16 4.071 -18.134 3.769 1.00 0.00 S ATOM 25 CE MET A 16 4.854 -19.061 5.086 1.00 0.00 C ATOM 0 H MET A 16 0.869 -21.535 0.133 1.00 0.00 H new ATOM 0 HA MET A 16 0.843 -19.924 1.657 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.361 -20.846 1.935 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.751 -19.234 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.808 -18.779 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.736 -20.113 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.680 -18.481 5.498 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.126 -19.264 5.871 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.234 -20.003 4.692 1.00 0.00 H new ATOM 35 N LYS A 17 2.519 -18.218 -0.650 1.00 0.00 N ATOM 36 CA LYS A 17 2.508 -16.981 -1.429 1.00 0.00 C ATOM 37 C LYS A 17 2.503 -17.280 -2.932 1.00 0.00 C ATOM 38 O LYS A 17 3.519 -17.135 -3.614 1.00 0.00 O ATOM 39 CB LYS A 17 3.714 -16.108 -1.056 1.00 0.00 C ATOM 40 CG LYS A 17 3.351 -14.892 -0.214 1.00 0.00 C ATOM 41 CD LYS A 17 2.358 -15.249 0.884 1.00 0.00 C ATOM 42 CE LYS A 17 2.434 -14.282 2.051 1.00 0.00 C ATOM 43 NZ LYS A 17 3.087 -14.900 3.242 1.00 0.00 N ATOM 0 H LYS A 17 3.297 -18.842 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 17 1.595 -16.435 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.436 -16.715 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.206 -15.773 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.254 -14.475 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.925 -14.119 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.348 -15.246 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.556 -16.261 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.991 -13.394 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.429 -13.954 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.724 -14.453 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.877 -15.918 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.116 -14.760 3.186 1.00 0.00 H new ATOM 57 N LEU A 18 1.347 -17.701 -3.434 1.00 0.00 N ATOM 58 CA LEU A 18 1.190 -18.023 -4.848 1.00 0.00 C ATOM 59 C LEU A 18 -0.146 -17.499 -5.374 1.00 0.00 C ATOM 60 O LEU A 18 -1.198 -17.739 -4.773 1.00 0.00 O ATOM 61 CB LEU A 18 1.294 -19.535 -5.061 1.00 0.00 C ATOM 62 CG LEU A 18 1.136 -20.007 -6.509 1.00 0.00 C ATOM 63 CD1 LEU A 18 2.102 -21.140 -6.807 1.00 0.00 C ATOM 64 CD2 LEU A 18 -0.294 -20.448 -6.770 1.00 0.00 C ATOM 0 H LEU A 18 0.501 -17.828 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 18 1.991 -17.537 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.263 -19.871 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.533 -20.024 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 18 1.367 -19.173 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.976 -21.463 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.125 -20.795 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.899 -21.976 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.389 -20.780 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.550 -21.269 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.971 -19.612 -6.594 1.00 0.00 H new ATOM 76 N GLY A 19 -0.090 -16.771 -6.490 1.00 0.00 N ATOM 77 CA GLY A 19 -1.293 -16.207 -7.080 1.00 0.00 C ATOM 78 C GLY A 19 -2.312 -17.256 -7.479 1.00 0.00 C ATOM 79 O GLY A 19 -2.135 -17.951 -8.480 1.00 0.00 O ATOM 0 H GLY A 19 0.771 -16.562 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.750 -15.518 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.019 -15.623 -7.959 1.00 0.00 H new ATOM 83 N LEU A 20 -3.388 -17.364 -6.697 1.00 0.00 N ATOM 84 CA LEU A 20 -4.455 -18.330 -6.975 1.00 0.00 C ATOM 85 C LEU A 20 -4.911 -18.231 -8.435 1.00 0.00 C ATOM 86 O LEU A 20 -5.127 -19.245 -9.098 1.00 0.00 O ATOM 87 CB LEU A 20 -5.641 -18.095 -6.028 1.00 0.00 C ATOM 88 CG LEU A 20 -6.795 -19.098 -6.149 1.00 0.00 C ATOM 89 CD1 LEU A 20 -7.722 -18.709 -7.288 1.00 0.00 C ATOM 90 CD2 LEU A 20 -6.269 -20.511 -6.349 1.00 0.00 C ATOM 0 H LEU A 20 -3.544 -16.794 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.064 -19.333 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.273 -18.114 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.033 -17.094 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.361 -19.076 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.535 -19.432 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.134 -17.717 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.164 -18.698 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.107 -21.203 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.673 -20.552 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.649 -20.792 -5.498 1.00 0.00 H new ATOM 102 N VAL A 21 -5.034 -17.000 -8.928 1.00 0.00 N ATOM 103 CA VAL A 21 -5.438 -16.751 -10.312 1.00 0.00 C ATOM 104 C VAL A 21 -4.351 -15.965 -11.049 1.00 0.00 C ATOM 105 O VAL A 21 -4.422 -14.740 -11.145 1.00 0.00 O ATOM 106 CB VAL A 21 -6.779 -15.982 -10.397 1.00 0.00 C ATOM 107 CG1 VAL A 21 -7.954 -16.939 -10.290 1.00 0.00 C ATOM 108 CG2 VAL A 21 -6.862 -14.906 -9.322 1.00 0.00 C ATOM 0 H VAL A 21 -4.859 -16.154 -8.386 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.577 -17.723 -10.786 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.824 -15.491 -11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.887 -16.378 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.910 -17.662 -11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.909 -17.465 -9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.814 -14.382 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.787 -15.368 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.045 -14.197 -9.453 1.00 0.00 H new ATOM 118 N ARG A 22 -3.339 -16.689 -11.546 1.00 0.00 N ATOM 119 CA ARG A 22 -2.202 -16.091 -12.265 1.00 0.00 C ATOM 120 C ARG A 22 -1.052 -15.769 -11.303 1.00 0.00 C ATOM 121 O ARG A 22 -1.266 -15.568 -10.108 1.00 0.00 O ATOM 122 CB ARG A 22 -2.626 -14.831 -13.035 1.00 0.00 C ATOM 123 CG ARG A 22 -1.712 -14.481 -14.201 1.00 0.00 C ATOM 124 CD ARG A 22 -2.006 -13.090 -14.736 1.00 0.00 C ATOM 125 NE ARG A 22 -0.948 -12.615 -15.632 1.00 0.00 N ATOM 126 CZ ARG A 22 -0.916 -11.403 -16.176 1.00 0.00 C ATOM 127 NH1 ARG A 22 -1.871 -10.529 -15.922 1.00 0.00 N ATOM 128 NH2 ARG A 22 0.075 -11.070 -16.977 1.00 0.00 N ATOM 0 H ARG A 22 -3.284 -17.704 -11.462 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.850 -16.826 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.640 -14.971 -13.411 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.656 -13.988 -12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.672 -14.537 -13.880 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.839 -15.214 -14.998 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.957 -13.099 -15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.115 -12.396 -13.903 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.186 -13.257 -15.852 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.642 -10.781 -15.304 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.838 -9.601 -16.344 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.816 -11.742 -17.179 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.102 -10.140 -17.396 1.00 0.00 H new ATOM 142 N PHE A 23 0.172 -15.734 -11.837 1.00 0.00 N ATOM 143 CA PHE A 23 1.369 -15.451 -11.036 1.00 0.00 C ATOM 144 C PHE A 23 1.231 -14.161 -10.213 1.00 0.00 C ATOM 145 O PHE A 23 0.639 -13.182 -10.669 1.00 0.00 O ATOM 146 CB PHE A 23 2.601 -15.347 -11.945 1.00 0.00 C ATOM 147 CG PHE A 23 3.019 -16.655 -12.558 1.00 0.00 C ATOM 148 CD1 PHE A 23 3.527 -17.674 -11.769 1.00 0.00 C ATOM 149 CD2 PHE A 23 2.907 -16.863 -13.924 1.00 0.00 C ATOM 150 CE1 PHE A 23 3.916 -18.876 -12.329 1.00 0.00 C ATOM 151 CE2 PHE A 23 3.294 -18.064 -14.491 1.00 0.00 C ATOM 152 CZ PHE A 23 3.799 -19.071 -13.692 1.00 0.00 C ATOM 0 H PHE A 23 0.362 -15.899 -12.826 1.00 0.00 H new ATOM 0 HA PHE A 23 1.488 -16.279 -10.338 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.393 -14.634 -12.742 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.434 -14.945 -11.367 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.620 -17.527 -10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.513 -16.078 -14.553 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.311 -19.662 -11.702 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.201 -18.214 -15.557 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.102 -20.010 -14.132 1.00 0.00 H new ATOM 162 N SER A 24 1.805 -14.178 -9.004 1.00 0.00 N ATOM 163 CA SER A 24 1.782 -13.024 -8.093 1.00 0.00 C ATOM 164 C SER A 24 0.441 -12.894 -7.364 1.00 0.00 C ATOM 165 O SER A 24 -0.582 -13.408 -7.817 1.00 0.00 O ATOM 166 CB SER A 24 2.100 -11.725 -8.845 1.00 0.00 C ATOM 167 OG SER A 24 2.905 -10.866 -8.053 1.00 0.00 O ATOM 0 H SER A 24 2.297 -14.989 -8.629 1.00 0.00 H new ATOM 0 HA SER A 24 2.554 -13.198 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.616 -11.956 -9.777 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.173 -11.218 -9.111 1.00 0.00 H new ATOM 0 HG SER A 24 3.097 -10.045 -8.553 1.00 0.00 H new ATOM 173 N MET A 25 0.465 -12.201 -6.227 1.00 0.00 N ATOM 174 CA MET A 25 -0.736 -11.998 -5.416 1.00 0.00 C ATOM 175 C MET A 25 -1.679 -10.974 -6.057 1.00 0.00 C ATOM 176 O MET A 25 -1.784 -9.834 -5.598 1.00 0.00 O ATOM 177 CB MET A 25 -0.345 -11.556 -4.000 1.00 0.00 C ATOM 178 CG MET A 25 -1.513 -11.512 -3.026 1.00 0.00 C ATOM 179 SD MET A 25 -1.099 -10.678 -1.480 1.00 0.00 S ATOM 180 CE MET A 25 -0.211 -11.974 -0.618 1.00 0.00 C ATOM 0 H MET A 25 1.306 -11.769 -5.845 1.00 0.00 H new ATOM 0 HA MET A 25 -1.270 -12.946 -5.359 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.413 -12.237 -3.613 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.111 -10.567 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.354 -11.001 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.839 -12.529 -2.809 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.261 -11.561 0.273 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.907 -12.761 -0.328 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.554 -12.389 -1.274 1.00 0.00 H new ATOM 190 N LEU A 26 -2.368 -11.392 -7.118 1.00 0.00 N ATOM 191 CA LEU A 26 -3.311 -10.520 -7.827 1.00 0.00 C ATOM 192 C LEU A 26 -4.294 -9.847 -6.861 1.00 0.00 C ATOM 193 O LEU A 26 -4.672 -8.688 -7.055 1.00 0.00 O ATOM 194 CB LEU A 26 -4.079 -11.319 -8.887 1.00 0.00 C ATOM 195 CG LEU A 26 -3.475 -11.283 -10.292 1.00 0.00 C ATOM 196 CD1 LEU A 26 -2.361 -12.308 -10.423 1.00 0.00 C ATOM 197 CD2 LEU A 26 -4.549 -11.532 -11.338 1.00 0.00 C ATOM 0 H LEU A 26 -2.292 -12.331 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.733 -9.736 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.141 -12.358 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.099 -10.939 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.052 -10.292 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.945 -12.266 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.578 -12.089 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.760 -13.305 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.103 -11.503 -12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.000 -12.510 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.316 -10.761 -11.262 1.00 0.00 H new ATOM 209 N LEU A 27 -4.700 -10.578 -5.816 1.00 0.00 N ATOM 210 CA LEU A 27 -5.635 -10.053 -4.814 1.00 0.00 C ATOM 211 C LEU A 27 -5.207 -8.674 -4.296 1.00 0.00 C ATOM 212 O LEU A 27 -6.055 -7.829 -3.996 1.00 0.00 O ATOM 213 CB LEU A 27 -5.759 -11.032 -3.643 1.00 0.00 C ATOM 214 CG LEU A 27 -7.136 -11.078 -2.982 1.00 0.00 C ATOM 215 CD1 LEU A 27 -8.064 -12.006 -3.748 1.00 0.00 C ATOM 216 CD2 LEU A 27 -7.017 -11.524 -1.534 1.00 0.00 C ATOM 0 H LEU A 27 -4.395 -11.536 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.604 -9.939 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.509 -12.032 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.019 -10.767 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.560 -10.074 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.040 -12.026 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.175 -11.647 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.644 -13.012 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.007 -11.551 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.573 -12.518 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.386 -10.823 -0.988 1.00 0.00 H new ATOM 228 N ALA A 28 -3.889 -8.451 -4.204 1.00 0.00 N ATOM 229 CA ALA A 28 -3.343 -7.176 -3.731 1.00 0.00 C ATOM 230 C ALA A 28 -4.073 -5.974 -4.348 1.00 0.00 C ATOM 231 O ALA A 28 -4.275 -4.952 -3.679 1.00 0.00 O ATOM 232 CB ALA A 28 -1.851 -7.110 -4.033 1.00 0.00 C ATOM 0 H ALA A 28 -3.180 -9.141 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.496 -7.125 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.450 -6.160 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.341 -7.930 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.693 -7.193 -5.108 1.00 0.00 H new ATOM 238 N LEU A 29 -4.477 -6.106 -5.618 1.00 0.00 N ATOM 239 CA LEU A 29 -5.195 -5.037 -6.317 1.00 0.00 C ATOM 240 C LEU A 29 -6.345 -4.492 -5.467 1.00 0.00 C ATOM 241 O LEU A 29 -6.615 -3.291 -5.478 1.00 0.00 O ATOM 242 CB LEU A 29 -5.732 -5.540 -7.660 1.00 0.00 C ATOM 243 CG LEU A 29 -6.109 -4.440 -8.655 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.957 -4.158 -9.602 1.00 0.00 C ATOM 245 CD2 LEU A 29 -7.355 -4.828 -9.434 1.00 0.00 C ATOM 0 H LEU A 29 -4.318 -6.942 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.488 -4.227 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.980 -6.182 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.610 -6.159 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.323 -3.530 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.245 -3.373 -10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.087 -3.834 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.710 -5.064 -10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.607 -4.033 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.168 -5.751 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.184 -4.978 -8.743 1.00 0.00 H new ATOM 257 N ALA A 30 -7.007 -5.377 -4.716 1.00 0.00 N ATOM 258 CA ALA A 30 -8.110 -4.973 -3.848 1.00 0.00 C ATOM 259 C ALA A 30 -7.637 -3.941 -2.822 1.00 0.00 C ATOM 260 O ALA A 30 -8.316 -2.939 -2.577 1.00 0.00 O ATOM 261 CB ALA A 30 -8.709 -6.190 -3.154 1.00 0.00 C ATOM 0 H ALA A 30 -6.797 -6.375 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.884 -4.511 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.530 -5.874 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.083 -6.888 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.943 -6.679 -2.552 1.00 0.00 H new ATOM 267 N LEU A 31 -6.454 -4.180 -2.249 1.00 0.00 N ATOM 268 CA LEU A 31 -5.869 -3.263 -1.273 1.00 0.00 C ATOM 269 C LEU A 31 -5.466 -1.960 -1.960 1.00 0.00 C ATOM 270 O LEU A 31 -5.783 -0.872 -1.478 1.00 0.00 O ATOM 271 CB LEU A 31 -4.650 -3.902 -0.594 1.00 0.00 C ATOM 272 CG LEU A 31 -4.892 -4.420 0.826 1.00 0.00 C ATOM 273 CD1 LEU A 31 -3.968 -5.584 1.135 1.00 0.00 C ATOM 274 CD2 LEU A 31 -4.691 -3.306 1.840 1.00 0.00 C ATOM 0 H LEU A 31 -5.884 -5.002 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.615 -3.047 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.303 -4.730 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.845 -3.168 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.923 -4.769 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.155 -5.938 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.153 -6.393 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.931 -5.258 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.867 -3.692 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.670 -2.930 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.391 -2.496 1.635 1.00 0.00 H new ATOM 286 N VAL A 32 -4.782 -2.085 -3.101 1.00 0.00 N ATOM 287 CA VAL A 32 -4.351 -0.918 -3.874 1.00 0.00 C ATOM 288 C VAL A 32 -5.549 -0.035 -4.218 1.00 0.00 C ATOM 289 O VAL A 32 -5.560 1.160 -3.908 1.00 0.00 O ATOM 290 CB VAL A 32 -3.625 -1.334 -5.175 1.00 0.00 C ATOM 291 CG1 VAL A 32 -3.326 -0.119 -6.042 1.00 0.00 C ATOM 292 CG2 VAL A 32 -2.344 -2.090 -4.858 1.00 0.00 C ATOM 0 H VAL A 32 -4.516 -2.981 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.651 -0.357 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.287 -1.997 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.815 -0.437 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.259 0.379 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.689 0.573 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.849 -2.373 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.681 -1.453 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.583 -2.987 -4.286 1.00 0.00 H new ATOM 302 N VAL A 33 -6.566 -0.633 -4.842 1.00 0.00 N ATOM 303 CA VAL A 33 -7.780 0.091 -5.209 1.00 0.00 C ATOM 304 C VAL A 33 -8.390 0.758 -3.978 1.00 0.00 C ATOM 305 O VAL A 33 -8.707 1.950 -4.001 1.00 0.00 O ATOM 306 CB VAL A 33 -8.826 -0.843 -5.864 1.00 0.00 C ATOM 307 CG1 VAL A 33 -10.163 -0.136 -6.027 1.00 0.00 C ATOM 308 CG2 VAL A 33 -8.326 -1.347 -7.209 1.00 0.00 C ATOM 0 H VAL A 33 -6.571 -1.619 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.500 0.852 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.972 -1.698 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.880 -0.815 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.534 0.172 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.035 0.743 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.075 -2.002 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.146 -0.500 -7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.398 -1.901 -7.068 1.00 0.00 H new ATOM 318 N LEU A 34 -8.531 -0.017 -2.896 1.00 0.00 N ATOM 319 CA LEU A 34 -9.079 0.503 -1.644 1.00 0.00 C ATOM 320 C LEU A 34 -8.278 1.718 -1.182 1.00 0.00 C ATOM 321 O LEU A 34 -8.847 2.770 -0.887 1.00 0.00 O ATOM 322 CB LEU A 34 -9.070 -0.586 -0.563 1.00 0.00 C ATOM 323 CG LEU A 34 -10.425 -1.240 -0.282 1.00 0.00 C ATOM 324 CD1 LEU A 34 -11.311 -0.310 0.527 1.00 0.00 C ATOM 325 CD2 LEU A 34 -11.111 -1.631 -1.583 1.00 0.00 C ATOM 0 H LEU A 34 -8.273 -1.003 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.111 0.810 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.365 -1.363 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.696 -0.152 0.364 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.253 -2.144 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.269 -0.794 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.827 -0.081 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.474 0.613 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.073 -2.094 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.268 -0.741 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.484 -2.338 -2.127 1.00 0.00 H new ATOM 337 N ALA A 35 -6.948 1.575 -1.151 1.00 0.00 N ATOM 338 CA ALA A 35 -6.066 2.670 -0.758 1.00 0.00 C ATOM 339 C ALA A 35 -6.322 3.897 -1.633 1.00 0.00 C ATOM 340 O ALA A 35 -6.522 5.003 -1.125 1.00 0.00 O ATOM 341 CB ALA A 35 -4.609 2.233 -0.851 1.00 0.00 C ATOM 0 H ALA A 35 -6.463 0.711 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.278 2.938 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.962 3.059 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.441 1.385 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.381 1.943 -1.877 1.00 0.00 H new ATOM 347 N ILE A 36 -6.347 3.683 -2.952 1.00 0.00 N ATOM 348 CA ILE A 36 -6.614 4.764 -3.901 1.00 0.00 C ATOM 349 C ILE A 36 -7.949 5.432 -3.570 1.00 0.00 C ATOM 350 O ILE A 36 -8.034 6.658 -3.461 1.00 0.00 O ATOM 351 CB ILE A 36 -6.649 4.247 -5.359 1.00 0.00 C ATOM 352 CG1 ILE A 36 -5.299 3.639 -5.749 1.00 0.00 C ATOM 353 CG2 ILE A 36 -7.016 5.369 -6.320 1.00 0.00 C ATOM 354 CD1 ILE A 36 -5.387 2.662 -6.900 1.00 0.00 C ATOM 0 H ILE A 36 -6.186 2.773 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.803 5.487 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.412 3.471 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.612 4.442 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.875 3.131 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.035 4.983 -7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.000 5.762 -6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.277 6.167 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.394 2.271 -7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.049 1.839 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.782 3.171 -7.780 1.00 0.00 H new ATOM 366 N VAL A 37 -8.983 4.606 -3.384 1.00 0.00 N ATOM 367 CA VAL A 37 -10.313 5.100 -3.034 1.00 0.00 C ATOM 368 C VAL A 37 -10.248 5.939 -1.761 1.00 0.00 C ATOM 369 O VAL A 37 -10.787 7.046 -1.709 1.00 0.00 O ATOM 370 CB VAL A 37 -11.315 3.939 -2.837 1.00 0.00 C ATOM 371 CG1 VAL A 37 -12.653 4.453 -2.323 1.00 0.00 C ATOM 372 CG2 VAL A 37 -11.511 3.172 -4.136 1.00 0.00 C ATOM 0 H VAL A 37 -8.922 3.592 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.662 5.718 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.898 3.262 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.339 3.616 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.507 4.954 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.072 5.158 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.220 2.359 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.898 3.845 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.556 2.761 -4.464 1.00 0.00 H new ATOM 382 N VAL A 38 -9.564 5.414 -0.741 1.00 0.00 N ATOM 383 CA VAL A 38 -9.402 6.127 0.526 1.00 0.00 C ATOM 384 C VAL A 38 -8.728 7.478 0.291 1.00 0.00 C ATOM 385 O VAL A 38 -9.221 8.513 0.743 1.00 0.00 O ATOM 386 CB VAL A 38 -8.575 5.303 1.541 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.193 6.149 2.748 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.346 4.069 1.983 1.00 0.00 C ATOM 0 H VAL A 38 -9.115 4.499 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.396 6.283 0.944 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.659 4.982 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.612 5.546 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.597 7.001 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.096 6.507 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.748 3.502 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.281 4.373 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.563 3.445 1.116 1.00 0.00 H new ATOM 398 N GLN A 39 -7.607 7.460 -0.436 1.00 0.00 N ATOM 399 CA GLN A 39 -6.872 8.688 -0.752 1.00 0.00 C ATOM 400 C GLN A 39 -7.778 9.681 -1.487 1.00 0.00 C ATOM 401 O GLN A 39 -7.820 10.870 -1.152 1.00 0.00 O ATOM 402 CB GLN A 39 -5.637 8.366 -1.602 1.00 0.00 C ATOM 403 CG GLN A 39 -4.362 9.032 -1.103 1.00 0.00 C ATOM 404 CD GLN A 39 -3.567 9.695 -2.213 1.00 0.00 C ATOM 405 OE1 GLN A 39 -3.667 10.899 -2.429 1.00 0.00 O ATOM 406 NE2 GLN A 39 -2.772 8.909 -2.925 1.00 0.00 N ATOM 0 H GLN A 39 -7.189 6.611 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.544 9.144 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.490 7.286 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.822 8.679 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.619 9.778 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.737 8.286 -0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.717 7.913 -2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.215 9.300 -3.684 1.00 0.00 H new ATOM 415 N MET A 40 -8.515 9.179 -2.480 1.00 0.00 N ATOM 416 CA MET A 40 -9.438 10.010 -3.253 1.00 0.00 C ATOM 417 C MET A 40 -10.513 10.603 -2.338 1.00 0.00 C ATOM 418 O MET A 40 -10.767 11.809 -2.363 1.00 0.00 O ATOM 419 CB MET A 40 -10.088 9.180 -4.367 1.00 0.00 C ATOM 420 CG MET A 40 -10.845 10.015 -5.391 1.00 0.00 C ATOM 421 SD MET A 40 -11.314 9.062 -6.849 1.00 0.00 S ATOM 422 CE MET A 40 -12.806 8.261 -6.265 1.00 0.00 C ATOM 0 H MET A 40 -8.490 8.201 -2.767 1.00 0.00 H new ATOM 0 HA MET A 40 -8.877 10.828 -3.706 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.315 8.607 -4.879 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.774 8.461 -3.919 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.741 10.428 -4.927 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.226 10.859 -5.696 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.216 7.634 -7.057 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.572 7.644 -5.398 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.539 9.017 -5.985 1.00 0.00 H new ATOM 432 N ALA A 41 -11.121 9.744 -1.516 1.00 0.00 N ATOM 433 CA ALA A 41 -12.152 10.173 -0.574 1.00 0.00 C ATOM 434 C ALA A 41 -11.604 11.251 0.360 1.00 0.00 C ATOM 435 O ALA A 41 -12.161 12.349 0.453 1.00 0.00 O ATOM 436 CB ALA A 41 -12.670 8.980 0.220 1.00 0.00 C ATOM 0 H ALA A 41 -10.915 8.746 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.984 10.599 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.438 9.313 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.095 8.245 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.848 8.527 0.774 1.00 0.00 H new ATOM 442 N VAL A 42 -10.487 10.942 1.024 1.00 0.00 N ATOM 443 CA VAL A 42 -9.839 11.892 1.926 1.00 0.00 C ATOM 444 C VAL A 42 -9.569 13.211 1.200 1.00 0.00 C ATOM 445 O VAL A 42 -9.840 14.287 1.730 1.00 0.00 O ATOM 446 CB VAL A 42 -8.511 11.328 2.485 1.00 0.00 C ATOM 447 CG1 VAL A 42 -7.702 12.414 3.180 1.00 0.00 C ATOM 448 CG2 VAL A 42 -8.781 10.175 3.438 1.00 0.00 C ATOM 0 H VAL A 42 -10.014 10.041 0.953 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.516 12.066 2.762 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.924 10.956 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.774 11.988 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.471 13.207 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.280 12.826 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.836 9.791 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.394 10.525 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.307 9.381 2.908 1.00 0.00 H new ATOM 458 N THR A 43 -9.055 13.108 -0.025 1.00 0.00 N ATOM 459 CA THR A 43 -8.764 14.288 -0.845 1.00 0.00 C ATOM 460 C THR A 43 -10.030 15.110 -1.093 1.00 0.00 C ATOM 461 O THR A 43 -9.996 16.340 -1.051 1.00 0.00 O ATOM 462 CB THR A 43 -8.149 13.869 -2.185 1.00 0.00 C ATOM 463 OG1 THR A 43 -7.020 13.039 -1.987 1.00 0.00 O ATOM 464 CG2 THR A 43 -7.700 15.039 -3.029 1.00 0.00 C ATOM 0 H THR A 43 -8.831 12.220 -0.474 1.00 0.00 H new ATOM 0 HA THR A 43 -8.050 14.906 -0.300 1.00 0.00 H new ATOM 0 HB THR A 43 -8.945 13.339 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.285 12.100 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.275 14.672 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.554 15.680 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.947 15.611 -2.487 1.00 0.00 H new ATOM 472 N MET A 44 -11.144 14.423 -1.357 1.00 0.00 N ATOM 473 CA MET A 44 -12.421 15.090 -1.616 1.00 0.00 C ATOM 474 C MET A 44 -12.981 15.752 -0.352 1.00 0.00 C ATOM 475 O MET A 44 -13.539 16.849 -0.418 1.00 0.00 O ATOM 476 CB MET A 44 -13.436 14.089 -2.180 1.00 0.00 C ATOM 477 CG MET A 44 -13.689 14.257 -3.670 1.00 0.00 C ATOM 478 SD MET A 44 -14.809 13.007 -4.329 1.00 0.00 S ATOM 479 CE MET A 44 -15.165 13.691 -5.946 1.00 0.00 C ATOM 0 H MET A 44 -11.187 13.405 -1.397 1.00 0.00 H new ATOM 0 HA MET A 44 -12.241 15.875 -2.351 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.079 13.076 -1.992 1.00 0.00 H new ATOM 0 HB3 MET A 44 -14.379 14.199 -1.645 1.00 0.00 H new ATOM 0 HG2 MET A 44 -14.106 15.247 -3.854 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.740 14.207 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.848 13.029 -6.479 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.625 14.672 -5.833 1.00 0.00 H new ATOM 0 HE3 MET A 44 -14.239 13.788 -6.512 1.00 0.00 H new ATOM 489 N VAL A 45 -12.836 15.086 0.794 1.00 0.00 N ATOM 490 CA VAL A 45 -13.338 15.628 2.062 1.00 0.00 C ATOM 491 C VAL A 45 -12.395 16.692 2.642 1.00 0.00 C ATOM 492 O VAL A 45 -12.841 17.616 3.326 1.00 0.00 O ATOM 493 CB VAL A 45 -13.572 14.520 3.115 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.663 13.567 2.654 1.00 0.00 C ATOM 495 CG2 VAL A 45 -12.290 13.756 3.408 1.00 0.00 C ATOM 0 H VAL A 45 -12.379 14.177 0.873 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.295 16.095 1.831 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.895 15.001 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.814 12.794 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.592 14.119 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.367 13.103 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.488 12.984 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.926 13.292 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.536 14.444 3.791 1.00 0.00 H new ATOM 505 N LEU A 46 -11.094 16.559 2.366 1.00 0.00 N ATOM 506 CA LEU A 46 -10.095 17.509 2.860 1.00 0.00 C ATOM 507 C LEU A 46 -10.325 18.906 2.277 1.00 0.00 C ATOM 508 O LEU A 46 -10.430 19.072 1.061 1.00 0.00 O ATOM 509 CB LEU A 46 -8.684 17.023 2.509 1.00 0.00 C ATOM 510 CG LEU A 46 -7.573 17.522 3.435 1.00 0.00 C ATOM 511 CD1 LEU A 46 -7.011 16.375 4.259 1.00 0.00 C ATOM 512 CD2 LEU A 46 -6.466 18.183 2.631 1.00 0.00 C ATOM 0 H LEU A 46 -10.709 15.801 1.802 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.196 17.570 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.680 15.933 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.453 17.334 1.490 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.999 18.261 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.222 16.748 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.806 15.938 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.602 15.615 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.685 18.532 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.045 17.462 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.873 19.030 2.079 1.00 0.00 H new ATOM 524 N HIS A 47 -10.400 19.907 3.155 1.00 0.00 N ATOM 525 CA HIS A 47 -10.615 21.293 2.727 1.00 0.00 C ATOM 526 C HIS A 47 -9.542 21.740 1.728 1.00 0.00 C ATOM 527 O HIS A 47 -9.826 22.495 0.798 1.00 0.00 O ATOM 528 CB HIS A 47 -10.630 22.232 3.937 1.00 0.00 C ATOM 529 CG HIS A 47 -11.521 23.420 3.755 1.00 0.00 C ATOM 530 ND1 HIS A 47 -12.605 23.677 4.564 1.00 0.00 N ATOM 531 CD2 HIS A 47 -11.488 24.418 2.842 1.00 0.00 C ATOM 532 CE1 HIS A 47 -13.202 24.784 4.158 1.00 0.00 C ATOM 533 NE2 HIS A 47 -12.544 25.254 3.114 1.00 0.00 N ATOM 0 H HIS A 47 -10.316 19.786 4.164 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.584 21.340 2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.954 21.675 4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -9.614 22.575 4.134 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.766 24.536 2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.079 25.229 4.604 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.781 26.099 2.595 1.00 0.00 H new ATOM 542 N GLY A 48 -8.312 21.258 1.927 1.00 0.00 N ATOM 543 CA GLY A 48 -7.219 21.603 1.032 1.00 0.00 C ATOM 544 C GLY A 48 -7.201 20.729 -0.208 1.00 0.00 C ATOM 545 O GLY A 48 -7.166 19.502 -0.109 1.00 0.00 O ATOM 0 H GLY A 48 -8.056 20.635 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.308 22.649 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.271 21.501 1.561 1.00 0.00 H new ATOM 549 N GLN A 49 -7.239 21.360 -1.379 1.00 0.00 N ATOM 550 CA GLN A 49 -7.238 20.628 -2.646 1.00 0.00 C ATOM 551 C GLN A 49 -5.973 19.781 -2.806 1.00 0.00 C ATOM 552 O GLN A 49 -4.893 20.309 -3.072 1.00 0.00 O ATOM 553 CB GLN A 49 -7.374 21.596 -3.822 1.00 0.00 C ATOM 554 CG GLN A 49 -7.897 20.938 -5.089 1.00 0.00 C ATOM 555 CD GLN A 49 -8.521 21.929 -6.049 1.00 0.00 C ATOM 556 OE1 GLN A 49 -9.680 22.305 -5.901 1.00 0.00 O ATOM 557 NE2 GLN A 49 -7.756 22.360 -7.039 1.00 0.00 N ATOM 0 H GLN A 49 -7.271 22.375 -1.478 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.094 19.954 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.045 22.407 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.402 22.044 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.078 20.421 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.636 20.182 -4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.797 22.023 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.125 23.030 -7.714 1.00 0.00 H new ATOM 566 N VAL A 50 -6.131 18.462 -2.648 1.00 0.00 N ATOM 567 CA VAL A 50 -5.025 17.504 -2.775 1.00 0.00 C ATOM 568 C VAL A 50 -4.152 17.478 -1.518 1.00 0.00 C ATOM 569 O VAL A 50 -3.697 18.520 -1.036 1.00 0.00 O ATOM 570 CB VAL A 50 -4.132 17.800 -4.004 1.00 0.00 C ATOM 571 CG1 VAL A 50 -3.125 16.678 -4.217 1.00 0.00 C ATOM 572 CG2 VAL A 50 -4.977 17.999 -5.254 1.00 0.00 C ATOM 0 H VAL A 50 -7.028 18.028 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.491 16.528 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.587 18.724 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.506 16.904 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.492 16.585 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.655 15.740 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.326 18.206 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.555 17.096 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.656 18.838 -5.104 1.00 0.00 H new ATOM 582 N GLU A 51 -3.906 16.276 -0.996 1.00 0.00 N ATOM 583 CA GLU A 51 -3.075 16.107 0.199 1.00 0.00 C ATOM 584 C GLU A 51 -1.591 16.300 -0.138 1.00 0.00 C ATOM 585 O GLU A 51 -0.771 15.400 0.051 1.00 0.00 O ATOM 586 CB GLU A 51 -3.318 14.725 0.822 1.00 0.00 C ATOM 587 CG GLU A 51 -3.525 14.767 2.331 1.00 0.00 C ATOM 588 CD GLU A 51 -2.387 14.132 3.105 1.00 0.00 C ATOM 589 OE1 GLU A 51 -1.330 14.781 3.246 1.00 0.00 O ATOM 590 OE2 GLU A 51 -2.558 12.988 3.574 1.00 0.00 O ATOM 0 H GLU A 51 -4.270 15.404 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.355 16.869 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.194 14.274 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.469 14.079 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.638 15.804 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.455 14.255 2.579 1.00 0.00 H new ATOM 597 N SER A 52 -1.260 17.487 -0.652 1.00 0.00 N ATOM 598 CA SER A 52 0.118 17.821 -1.034 1.00 0.00 C ATOM 599 C SER A 52 0.211 19.267 -1.547 1.00 0.00 C ATOM 600 O SER A 52 0.870 19.538 -2.555 1.00 0.00 O ATOM 601 CB SER A 52 0.625 16.839 -2.103 1.00 0.00 C ATOM 602 OG SER A 52 0.127 17.169 -3.391 1.00 0.00 O ATOM 0 H SER A 52 -1.931 18.238 -0.815 1.00 0.00 H new ATOM 0 HA SER A 52 0.749 17.735 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.715 16.849 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.319 15.826 -1.842 1.00 0.00 H new ATOM 0 HG SER A 52 0.429 18.068 -3.638 1.00 0.00 H new ATOM 608 N ILE A 53 -0.461 20.187 -0.851 1.00 0.00 N ATOM 609 CA ILE A 53 -0.469 21.602 -1.238 1.00 0.00 C ATOM 610 C ILE A 53 0.848 22.310 -0.898 1.00 0.00 C ATOM 611 O ILE A 53 1.249 23.240 -1.597 1.00 0.00 O ATOM 612 CB ILE A 53 -1.642 22.367 -0.576 1.00 0.00 C ATOM 613 CG1 ILE A 53 -1.621 22.195 0.947 1.00 0.00 C ATOM 614 CG2 ILE A 53 -2.973 21.895 -1.144 1.00 0.00 C ATOM 615 CD1 ILE A 53 -2.506 23.181 1.679 1.00 0.00 C ATOM 0 H ILE A 53 -1.008 19.978 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.596 21.613 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.522 23.427 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.938 21.182 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.597 22.305 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.786 22.443 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.994 22.075 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.093 20.829 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.442 23.001 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.176 24.197 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.538 23.056 1.351 1.00 0.00 H new ATOM 627 N ASP A 54 1.512 21.870 0.173 1.00 0.00 N ATOM 628 CA ASP A 54 2.779 22.472 0.593 1.00 0.00 C ATOM 629 C ASP A 54 3.896 22.171 -0.410 1.00 0.00 C ATOM 630 O ASP A 54 4.523 23.087 -0.947 1.00 0.00 O ATOM 631 CB ASP A 54 3.165 21.971 1.992 1.00 0.00 C ATOM 632 CG ASP A 54 3.964 22.992 2.775 1.00 0.00 C ATOM 633 OD1 ASP A 54 3.363 23.977 3.254 1.00 0.00 O ATOM 634 OD2 ASP A 54 5.191 22.806 2.913 1.00 0.00 O ATOM 0 H ASP A 54 1.195 21.101 0.764 1.00 0.00 H new ATOM 0 HA ASP A 54 2.645 23.553 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.261 21.720 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.747 21.054 1.898 1.00 0.00 H new ATOM 639 N VAL A 55 4.144 20.885 -0.659 1.00 0.00 N ATOM 640 CA VAL A 55 5.189 20.475 -1.598 1.00 0.00 C ATOM 641 C VAL A 55 4.707 19.343 -2.511 1.00 0.00 C ATOM 642 O VAL A 55 4.903 18.162 -2.215 1.00 0.00 O ATOM 643 CB VAL A 55 6.471 20.027 -0.858 1.00 0.00 C ATOM 644 CG1 VAL A 55 7.666 20.043 -1.798 1.00 0.00 C ATOM 645 CG2 VAL A 55 6.739 20.910 0.353 1.00 0.00 C ATOM 0 H VAL A 55 3.638 20.112 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 55 5.422 21.347 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 55 6.317 19.006 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.558 19.725 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.483 19.363 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.815 21.053 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.646 20.573 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.866 21.943 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.897 20.847 1.043 1.00 0.00 H new ATOM 655 N ILE A 56 4.072 19.710 -3.623 1.00 0.00 N ATOM 656 CA ILE A 56 3.564 18.724 -4.577 1.00 0.00 C ATOM 657 C ILE A 56 4.679 18.234 -5.509 1.00 0.00 C ATOM 658 O ILE A 56 5.012 18.880 -6.505 1.00 0.00 O ATOM 659 CB ILE A 56 2.380 19.287 -5.406 1.00 0.00 C ATOM 660 CG1 ILE A 56 1.782 18.195 -6.297 1.00 0.00 C ATOM 661 CG2 ILE A 56 2.810 20.485 -6.245 1.00 0.00 C ATOM 662 CD1 ILE A 56 0.426 18.553 -6.868 1.00 0.00 C ATOM 0 H ILE A 56 3.897 20.680 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 56 3.197 17.877 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 56 1.615 19.626 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.470 17.990 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.692 17.275 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.957 20.856 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.180 21.274 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.601 20.183 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.064 17.733 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.277 18.729 -6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.513 19.455 -7.474 1.00 0.00 H new ATOM 674 N ARG A 57 5.265 17.086 -5.168 1.00 0.00 N ATOM 675 CA ARG A 57 6.348 16.513 -5.966 1.00 0.00 C ATOM 676 C ARG A 57 6.147 15.010 -6.180 1.00 0.00 C ATOM 677 O ARG A 57 5.940 14.257 -5.226 1.00 0.00 O ATOM 678 CB ARG A 57 7.698 16.772 -5.290 1.00 0.00 C ATOM 679 CG ARG A 57 8.188 18.207 -5.430 1.00 0.00 C ATOM 680 CD ARG A 57 9.090 18.376 -6.643 1.00 0.00 C ATOM 681 NE ARG A 57 10.507 18.464 -6.267 1.00 0.00 N ATOM 682 CZ ARG A 57 11.073 19.532 -5.712 1.00 0.00 C ATOM 683 NH1 ARG A 57 10.358 20.606 -5.440 1.00 0.00 N ATOM 684 NH2 ARG A 57 12.360 19.517 -5.426 1.00 0.00 N ATOM 0 H ARG A 57 5.009 16.537 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 57 6.337 16.998 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.617 16.527 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.443 16.100 -5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.333 18.877 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.730 18.496 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.947 17.535 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.802 19.276 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 57 11.097 17.651 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.361 20.623 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.802 21.420 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.918 18.688 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.797 20.334 -5.000 1.00 0.00 H new ATOM 698 N SER A 58 6.222 14.584 -7.442 1.00 0.00 N ATOM 699 CA SER A 58 6.059 13.171 -7.800 1.00 0.00 C ATOM 700 C SER A 58 7.066 12.301 -7.053 1.00 0.00 C ATOM 701 O SER A 58 6.686 11.416 -6.284 1.00 0.00 O ATOM 702 CB SER A 58 6.234 12.990 -9.311 1.00 0.00 C ATOM 703 OG SER A 58 7.367 13.710 -9.777 1.00 0.00 O ATOM 0 H SER A 58 6.395 15.199 -8.237 1.00 0.00 H new ATOM 0 HA SER A 58 5.055 12.859 -7.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.349 11.931 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.339 13.335 -9.829 1.00 0.00 H new ATOM 0 HG SER A 58 7.462 13.580 -10.744 1.00 0.00 H new ATOM 709 N ILE A 59 8.353 12.570 -7.278 1.00 0.00 N ATOM 710 CA ILE A 59 9.432 11.828 -6.622 1.00 0.00 C ATOM 711 C ILE A 59 9.214 11.765 -5.106 1.00 0.00 C ATOM 712 O ILE A 59 9.447 10.728 -4.483 1.00 0.00 O ATOM 713 CB ILE A 59 10.812 12.461 -6.918 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.102 12.432 -8.421 1.00 0.00 C ATOM 715 CG2 ILE A 59 11.913 11.735 -6.156 1.00 0.00 C ATOM 716 CD1 ILE A 59 11.146 13.804 -9.057 1.00 0.00 C ATOM 0 H ILE A 59 8.675 13.300 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 59 9.417 10.816 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 59 10.789 13.499 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.056 11.932 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.338 11.835 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.875 12.197 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.718 11.800 -5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.935 10.688 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.356 13.705 -10.122 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.184 14.299 -8.921 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.929 14.398 -8.587 1.00 0.00 H new ATOM 728 N PHE A 60 8.746 12.877 -4.528 1.00 0.00 N ATOM 729 CA PHE A 60 8.476 12.951 -3.089 1.00 0.00 C ATOM 730 C PHE A 60 7.666 11.742 -2.618 1.00 0.00 C ATOM 731 O PHE A 60 7.912 11.211 -1.534 1.00 0.00 O ATOM 732 CB PHE A 60 7.727 14.245 -2.755 1.00 0.00 C ATOM 733 CG PHE A 60 7.835 14.649 -1.313 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.910 15.403 -0.869 1.00 0.00 C ATOM 735 CD2 PHE A 60 6.862 14.274 -0.400 1.00 0.00 C ATOM 736 CE1 PHE A 60 9.012 15.776 0.457 1.00 0.00 C ATOM 737 CE2 PHE A 60 6.960 14.643 0.928 1.00 0.00 C ATOM 738 CZ PHE A 60 8.035 15.395 1.357 1.00 0.00 C ATOM 0 H PHE A 60 8.546 13.739 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 60 9.433 12.947 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.115 15.050 -3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.675 14.122 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.677 15.702 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.018 13.687 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.854 16.365 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.196 14.343 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.112 15.685 2.394 1.00 0.00 H new ATOM 748 N PHE A 61 6.714 11.299 -3.452 1.00 0.00 N ATOM 749 CA PHE A 61 5.881 10.136 -3.131 1.00 0.00 C ATOM 750 C PHE A 61 6.737 8.965 -2.643 1.00 0.00 C ATOM 751 O PHE A 61 6.327 8.223 -1.746 1.00 0.00 O ATOM 752 CB PHE A 61 5.060 9.715 -4.356 1.00 0.00 C ATOM 753 CG PHE A 61 4.060 8.629 -4.067 1.00 0.00 C ATOM 754 CD1 PHE A 61 4.415 7.295 -4.181 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.769 8.945 -3.679 1.00 0.00 C ATOM 756 CE1 PHE A 61 3.498 6.295 -3.914 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.849 7.950 -3.410 1.00 0.00 C ATOM 758 CZ PHE A 61 2.214 6.623 -3.528 1.00 0.00 C ATOM 0 H PHE A 61 6.504 11.730 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 61 5.201 10.419 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.535 10.586 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.739 9.374 -5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.419 7.033 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.478 9.981 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.786 5.258 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.845 8.210 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.496 5.844 -3.319 1.00 0.00 H new ATOM 768 N GLY A 62 7.936 8.821 -3.223 1.00 0.00 N ATOM 769 CA GLY A 62 8.844 7.754 -2.820 1.00 0.00 C ATOM 770 C GLY A 62 8.962 7.640 -1.314 1.00 0.00 C ATOM 771 O GLY A 62 8.957 6.538 -0.771 1.00 0.00 O ATOM 0 H GLY A 62 8.291 9.425 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.492 6.806 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.830 7.938 -3.247 1.00 0.00 H new ATOM 775 N LEU A 63 9.033 8.782 -0.628 1.00 0.00 N ATOM 776 CA LEU A 63 9.117 8.799 0.832 1.00 0.00 C ATOM 777 C LEU A 63 7.969 7.990 1.436 1.00 0.00 C ATOM 778 O LEU A 63 8.177 7.173 2.342 1.00 0.00 O ATOM 779 CB LEU A 63 9.082 10.239 1.355 1.00 0.00 C ATOM 780 CG LEU A 63 10.237 10.623 2.278 1.00 0.00 C ATOM 781 CD1 LEU A 63 10.291 12.130 2.463 1.00 0.00 C ATOM 782 CD2 LEU A 63 10.099 9.927 3.623 1.00 0.00 C ATOM 0 H LEU A 63 9.034 9.706 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 63 10.062 8.345 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.078 10.918 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.144 10.392 1.889 1.00 0.00 H new ATOM 0 HG LEU A 63 11.169 10.298 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.120 12.386 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.436 12.610 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.356 12.476 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.931 10.212 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.160 10.222 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.108 8.847 3.476 1.00 0.00 H new ATOM 794 N LEU A 64 6.762 8.200 0.905 1.00 0.00 N ATOM 795 CA LEU A 64 5.576 7.480 1.362 1.00 0.00 C ATOM 796 C LEU A 64 5.734 5.973 1.135 1.00 0.00 C ATOM 797 O LEU A 64 5.157 5.164 1.866 1.00 0.00 O ATOM 798 CB LEU A 64 4.330 7.996 0.636 1.00 0.00 C ATOM 799 CG LEU A 64 3.002 7.419 1.130 1.00 0.00 C ATOM 800 CD1 LEU A 64 2.554 8.119 2.402 1.00 0.00 C ATOM 801 CD2 LEU A 64 1.937 7.540 0.052 1.00 0.00 C ATOM 0 H LEU A 64 6.582 8.867 0.154 1.00 0.00 H new ATOM 0 HA LEU A 64 5.460 7.656 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.295 9.081 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.431 7.775 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 64 3.149 6.362 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.608 7.694 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.308 7.982 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.425 9.183 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.999 7.125 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.794 8.590 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.253 6.992 -0.835 1.00 0.00 H new ATOM 813 N ILE A 65 6.532 5.601 0.127 1.00 0.00 N ATOM 814 CA ILE A 65 6.774 4.195 -0.178 1.00 0.00 C ATOM 815 C ILE A 65 7.471 3.485 0.985 1.00 0.00 C ATOM 816 O ILE A 65 7.374 2.270 1.110 1.00 0.00 O ATOM 817 CB ILE A 65 7.595 4.016 -1.482 1.00 0.00 C ATOM 818 CG1 ILE A 65 6.965 2.932 -2.357 1.00 0.00 C ATOM 819 CG2 ILE A 65 9.051 3.673 -1.186 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.078 3.479 -3.453 1.00 0.00 C ATOM 0 H ILE A 65 7.017 6.255 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 65 5.797 3.736 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 65 7.579 4.965 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.757 2.334 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.379 2.263 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.595 3.555 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.503 4.476 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.098 2.743 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.666 2.654 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.264 4.053 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.664 4.125 -4.107 1.00 0.00 H new ATOM 832 N THR A 66 8.166 4.243 1.844 1.00 0.00 N ATOM 833 CA THR A 66 8.852 3.643 2.993 1.00 0.00 C ATOM 834 C THR A 66 7.835 2.958 3.911 1.00 0.00 C ATOM 835 O THR A 66 7.841 1.730 4.043 1.00 0.00 O ATOM 836 CB THR A 66 9.675 4.684 3.770 1.00 0.00 C ATOM 837 OG1 THR A 66 10.064 5.759 2.933 1.00 0.00 O ATOM 838 CG2 THR A 66 10.936 4.112 4.373 1.00 0.00 C ATOM 0 H THR A 66 8.267 5.255 1.767 1.00 0.00 H new ATOM 0 HA THR A 66 9.550 2.895 2.617 1.00 0.00 H new ATOM 0 HB THR A 66 9.016 5.025 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.402 6.479 2.996 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.472 4.896 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.677 3.312 5.066 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.570 3.715 3.581 1.00 0.00 H new ATOM 846 N PRO A 67 6.914 3.731 4.536 1.00 0.00 N ATOM 847 CA PRO A 67 5.879 3.156 5.403 1.00 0.00 C ATOM 848 C PRO A 67 4.920 2.268 4.608 1.00 0.00 C ATOM 849 O PRO A 67 4.526 1.191 5.065 1.00 0.00 O ATOM 850 CB PRO A 67 5.149 4.381 5.965 1.00 0.00 C ATOM 851 CG PRO A 67 5.413 5.469 4.980 1.00 0.00 C ATOM 852 CD PRO A 67 6.781 5.199 4.422 1.00 0.00 C ATOM 0 HA PRO A 67 6.295 2.517 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.081 4.192 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.523 4.644 6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.662 5.470 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.373 6.447 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.866 5.531 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.555 5.718 4.987 1.00 0.00 H new ATOM 860 N TRP A 68 4.572 2.721 3.397 1.00 0.00 N ATOM 861 CA TRP A 68 3.682 1.971 2.513 1.00 0.00 C ATOM 862 C TRP A 68 4.240 0.573 2.251 1.00 0.00 C ATOM 863 O TRP A 68 3.540 -0.420 2.428 1.00 0.00 O ATOM 864 CB TRP A 68 3.497 2.727 1.192 1.00 0.00 C ATOM 865 CG TRP A 68 2.318 2.271 0.383 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.185 1.662 0.844 1.00 0.00 C ATOM 867 CD2 TRP A 68 2.158 2.395 -1.035 1.00 0.00 C ATOM 868 NE1 TRP A 68 0.331 1.401 -0.204 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.906 1.842 -1.366 1.00 0.00 C ATOM 870 CE3 TRP A 68 2.953 2.921 -2.058 1.00 0.00 C ATOM 871 CZ2 TRP A 68 0.434 1.801 -2.675 1.00 0.00 C ATOM 872 CZ3 TRP A 68 2.482 2.879 -3.356 1.00 0.00 C ATOM 873 CH2 TRP A 68 1.232 2.324 -3.655 1.00 0.00 C ATOM 0 H TRP A 68 4.897 3.607 3.009 1.00 0.00 H new ATOM 0 HA TRP A 68 2.712 1.867 3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.387 3.790 1.407 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.400 2.615 0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.988 1.421 1.878 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.582 0.952 -0.127 1.00 0.00 H new ATOM 0 HE3 TRP A 68 3.918 3.352 -1.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.529 1.371 -2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.089 3.281 -4.154 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.891 2.309 -4.680 1.00 0.00 H new ATOM 884 N ALA A 69 5.510 0.507 1.846 1.00 0.00 N ATOM 885 CA ALA A 69 6.173 -0.766 1.575 1.00 0.00 C ATOM 886 C ALA A 69 6.255 -1.621 2.836 1.00 0.00 C ATOM 887 O ALA A 69 5.946 -2.807 2.801 1.00 0.00 O ATOM 888 CB ALA A 69 7.563 -0.532 0.998 1.00 0.00 C ATOM 0 H ALA A 69 6.100 1.326 1.699 1.00 0.00 H new ATOM 0 HA ALA A 69 5.577 -1.306 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.042 -1.491 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.481 0.029 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.162 0.034 1.711 1.00 0.00 H new ATOM 894 N VAL A 70 6.661 -1.010 3.953 1.00 0.00 N ATOM 895 CA VAL A 70 6.762 -1.731 5.225 1.00 0.00 C ATOM 896 C VAL A 70 5.425 -2.392 5.578 1.00 0.00 C ATOM 897 O VAL A 70 5.363 -3.601 5.844 1.00 0.00 O ATOM 898 CB VAL A 70 7.193 -0.789 6.374 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.023 -1.464 7.728 1.00 0.00 C ATOM 900 CG2 VAL A 70 8.635 -0.340 6.184 1.00 0.00 C ATOM 0 H VAL A 70 6.923 -0.026 4.003 1.00 0.00 H new ATOM 0 HA VAL A 70 7.524 -2.501 5.104 1.00 0.00 H new ATOM 0 HB VAL A 70 6.547 0.089 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.333 -0.779 8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.977 -1.733 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.637 -2.364 7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.921 0.322 7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.290 -1.212 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.729 0.192 5.237 1.00 0.00 H new ATOM 910 N TYR A 71 4.355 -1.597 5.557 1.00 0.00 N ATOM 911 CA TYR A 71 3.017 -2.103 5.855 1.00 0.00 C ATOM 912 C TYR A 71 2.583 -3.120 4.800 1.00 0.00 C ATOM 913 O TYR A 71 2.169 -4.231 5.134 1.00 0.00 O ATOM 914 CB TYR A 71 2.011 -0.949 5.923 1.00 0.00 C ATOM 915 CG TYR A 71 1.912 -0.305 7.289 1.00 0.00 C ATOM 916 CD1 TYR A 71 2.880 0.590 7.726 1.00 0.00 C ATOM 917 CD2 TYR A 71 0.851 -0.589 8.137 1.00 0.00 C ATOM 918 CE1 TYR A 71 2.792 1.183 8.972 1.00 0.00 C ATOM 919 CE2 TYR A 71 0.756 0.001 9.384 1.00 0.00 C ATOM 920 CZ TYR A 71 1.729 0.885 9.796 1.00 0.00 C ATOM 921 OH TYR A 71 1.639 1.474 11.036 1.00 0.00 O ATOM 0 H TYR A 71 4.390 -0.602 5.337 1.00 0.00 H new ATOM 0 HA TYR A 71 3.045 -2.598 6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.293 -0.190 5.193 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.027 -1.319 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.715 0.826 7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.087 -1.282 7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.553 1.877 9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.077 -0.230 10.032 1.00 0.00 H new ATOM 0 HH TYR A 71 0.830 1.158 11.490 1.00 0.00 H new ATOM 931 N PHE A 72 2.694 -2.735 3.523 1.00 0.00 N ATOM 932 CA PHE A 72 2.323 -3.615 2.412 1.00 0.00 C ATOM 933 C PHE A 72 3.009 -4.971 2.542 1.00 0.00 C ATOM 934 O PHE A 72 2.345 -6.002 2.559 1.00 0.00 O ATOM 935 CB PHE A 72 2.680 -2.978 1.061 1.00 0.00 C ATOM 936 CG PHE A 72 1.505 -2.791 0.141 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.473 -3.718 0.106 1.00 0.00 C ATOM 938 CD2 PHE A 72 1.434 -1.688 -0.695 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.604 -3.548 -0.741 1.00 0.00 C ATOM 940 CE2 PHE A 72 0.359 -1.513 -1.544 1.00 0.00 C ATOM 941 CZ PHE A 72 -0.661 -2.444 -1.568 1.00 0.00 C ATOM 0 H PHE A 72 3.038 -1.819 3.235 1.00 0.00 H new ATOM 0 HA PHE A 72 1.244 -3.761 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.145 -2.009 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.423 -3.601 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.513 -4.584 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.229 -0.957 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.400 -4.277 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.316 -0.648 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.502 -2.309 -2.232 1.00 0.00 H new ATOM 951 N LEU A 73 4.337 -4.960 2.650 1.00 0.00 N ATOM 952 CA LEU A 73 5.108 -6.193 2.795 1.00 0.00 C ATOM 953 C LEU A 73 4.584 -7.006 3.976 1.00 0.00 C ATOM 954 O LEU A 73 4.304 -8.194 3.839 1.00 0.00 O ATOM 955 CB LEU A 73 6.598 -5.880 2.987 1.00 0.00 C ATOM 956 CG LEU A 73 7.465 -6.076 1.744 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.214 -4.965 0.737 1.00 0.00 C ATOM 958 CD2 LEU A 73 8.936 -6.123 2.122 1.00 0.00 C ATOM 0 H LEU A 73 4.901 -4.110 2.640 1.00 0.00 H new ATOM 0 HA LEU A 73 4.994 -6.780 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.697 -4.847 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.986 -6.512 3.786 1.00 0.00 H new ATOM 0 HG LEU A 73 7.194 -7.027 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.840 -5.122 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.165 -4.973 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.456 -4.003 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.538 -6.263 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.218 -5.187 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.109 -6.952 2.808 1.00 0.00 H new ATOM 970 N SER A 74 4.436 -6.350 5.128 1.00 0.00 N ATOM 971 CA SER A 74 3.925 -7.007 6.333 1.00 0.00 C ATOM 972 C SER A 74 2.583 -7.689 6.051 1.00 0.00 C ATOM 973 O SER A 74 2.441 -8.903 6.231 1.00 0.00 O ATOM 974 CB SER A 74 3.772 -5.991 7.470 1.00 0.00 C ATOM 975 OG SER A 74 4.986 -5.293 7.700 1.00 0.00 O ATOM 0 H SER A 74 4.663 -5.363 5.252 1.00 0.00 H new ATOM 0 HA SER A 74 4.643 -7.769 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.982 -5.281 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.466 -6.504 8.382 1.00 0.00 H new ATOM 0 HG SER A 74 5.030 -4.511 7.111 1.00 0.00 H new ATOM 981 N VAL A 75 1.607 -6.905 5.586 1.00 0.00 N ATOM 982 CA VAL A 75 0.283 -7.435 5.257 1.00 0.00 C ATOM 983 C VAL A 75 0.399 -8.569 4.234 1.00 0.00 C ATOM 984 O VAL A 75 -0.203 -9.632 4.399 1.00 0.00 O ATOM 985 CB VAL A 75 -0.651 -6.336 4.704 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.042 -6.889 4.436 1.00 0.00 C ATOM 987 CG2 VAL A 75 -0.726 -5.160 5.669 1.00 0.00 C ATOM 0 H VAL A 75 1.709 -5.902 5.429 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.150 -7.819 6.181 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.235 -5.985 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.680 -6.096 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.979 -7.695 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.466 -7.274 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.389 -4.397 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.113 -5.501 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.270 -4.739 5.808 1.00 0.00 H new ATOM 997 N VAL A 76 1.204 -8.339 3.194 1.00 0.00 N ATOM 998 CA VAL A 76 1.437 -9.344 2.154 1.00 0.00 C ATOM 999 C VAL A 76 1.979 -10.625 2.780 1.00 0.00 C ATOM 1000 O VAL A 76 1.563 -11.726 2.417 1.00 0.00 O ATOM 1001 CB VAL A 76 2.424 -8.832 1.081 1.00 0.00 C ATOM 1002 CG1 VAL A 76 2.907 -9.970 0.191 1.00 0.00 C ATOM 1003 CG2 VAL A 76 1.780 -7.740 0.240 1.00 0.00 C ATOM 0 H VAL A 76 1.707 -7.463 3.050 1.00 0.00 H new ATOM 0 HA VAL A 76 0.483 -9.547 1.667 1.00 0.00 H new ATOM 0 HB VAL A 76 3.289 -8.413 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.600 -9.580 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.413 -10.719 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.054 -10.427 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.490 -7.392 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.894 -8.137 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.494 -6.907 0.882 1.00 0.00 H new ATOM 1013 N VAL A 77 2.898 -10.471 3.739 1.00 0.00 N ATOM 1014 CA VAL A 77 3.481 -11.610 4.440 1.00 0.00 C ATOM 1015 C VAL A 77 2.388 -12.395 5.162 1.00 0.00 C ATOM 1016 O VAL A 77 2.367 -13.628 5.116 1.00 0.00 O ATOM 1017 CB VAL A 77 4.558 -11.166 5.455 1.00 0.00 C ATOM 1018 CG1 VAL A 77 5.027 -12.343 6.301 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.739 -10.526 4.741 1.00 0.00 C ATOM 0 H VAL A 77 3.252 -9.565 4.045 1.00 0.00 H new ATOM 0 HA VAL A 77 3.961 -12.245 3.695 1.00 0.00 H new ATOM 0 HB VAL A 77 4.109 -10.425 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.785 -12.004 7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.181 -12.758 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.452 -13.110 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.486 -10.221 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.181 -11.245 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.398 -9.653 4.185 1.00 0.00 H new ATOM 1029 N GLU A 78 1.471 -11.676 5.810 1.00 0.00 N ATOM 1030 CA GLU A 78 0.359 -12.309 6.523 1.00 0.00 C ATOM 1031 C GLU A 78 -0.687 -12.845 5.540 1.00 0.00 C ATOM 1032 O GLU A 78 -1.237 -13.931 5.735 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.296 -11.312 7.476 1.00 0.00 C ATOM 1034 CG GLU A 78 0.662 -10.717 8.495 1.00 0.00 C ATOM 1035 CD GLU A 78 -0.027 -9.767 9.448 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -0.691 -10.253 10.387 1.00 0.00 O ATOM 1037 OE2 GLU A 78 0.094 -8.542 9.252 1.00 0.00 O ATOM 0 H GLU A 78 1.475 -10.657 5.856 1.00 0.00 H new ATOM 0 HA GLU A 78 0.760 -13.145 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.740 -10.505 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.110 -11.809 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.130 -11.521 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.460 -10.189 7.974 1.00 0.00 H new ATOM 1044 N GLN A 79 -0.961 -12.064 4.489 1.00 0.00 N ATOM 1045 CA GLN A 79 -1.942 -12.431 3.462 1.00 0.00 C ATOM 1046 C GLN A 79 -1.750 -13.875 2.978 1.00 0.00 C ATOM 1047 O GLN A 79 -0.792 -14.180 2.263 1.00 0.00 O ATOM 1048 CB GLN A 79 -1.836 -11.466 2.274 1.00 0.00 C ATOM 1049 CG GLN A 79 -2.579 -10.151 2.481 1.00 0.00 C ATOM 1050 CD GLN A 79 -3.308 -9.683 1.233 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -3.086 -8.574 0.748 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -4.187 -10.527 0.710 1.00 0.00 N ATOM 0 H GLN A 79 -0.511 -11.163 4.327 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.933 -12.360 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.784 -11.252 2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.227 -11.957 1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.297 -10.269 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.870 -9.383 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.341 -11.437 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.709 -10.266 -0.126 1.00 0.00 H new ATOM 1061 N LEU A 80 -2.666 -14.759 3.375 1.00 0.00 N ATOM 1062 CA LEU A 80 -2.596 -16.168 2.980 1.00 0.00 C ATOM 1063 C LEU A 80 -3.032 -16.352 1.522 1.00 0.00 C ATOM 1064 O LEU A 80 -4.217 -16.548 1.232 1.00 0.00 O ATOM 1065 CB LEU A 80 -3.460 -17.030 3.911 1.00 0.00 C ATOM 1066 CG LEU A 80 -2.774 -18.285 4.461 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -2.224 -19.136 3.328 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -1.663 -17.905 5.428 1.00 0.00 C ATOM 0 H LEU A 80 -3.463 -14.526 3.968 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.559 -16.493 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.785 -16.416 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.357 -17.333 3.371 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.517 -18.872 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.741 -20.022 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.040 -19.439 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.496 -18.558 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.187 -18.809 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.923 -17.295 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.082 -17.338 6.259 1.00 0.00 H new ATOM 1080 N GLU A 81 -2.060 -16.273 0.613 1.00 0.00 N ATOM 1081 CA GLU A 81 -2.316 -16.418 -0.822 1.00 0.00 C ATOM 1082 C GLU A 81 -2.874 -17.800 -1.174 1.00 0.00 C ATOM 1083 O GLU A 81 -3.083 -18.641 -0.294 1.00 0.00 O ATOM 1084 CB GLU A 81 -1.029 -16.163 -1.608 1.00 0.00 C ATOM 1085 CG GLU A 81 -0.944 -14.766 -2.196 1.00 0.00 C ATOM 1086 CD GLU A 81 -1.005 -14.765 -3.707 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -2.128 -14.785 -4.255 1.00 0.00 O ATOM 1088 OE2 GLU A 81 0.069 -14.738 -4.341 1.00 0.00 O ATOM 0 H GLU A 81 -1.081 -16.108 0.847 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.071 -15.681 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.174 -16.325 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.955 -16.893 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.761 -14.160 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.015 -14.296 -1.873 1.00 0.00 H new ATOM 1095 N GLU A 82 -3.119 -18.022 -2.473 1.00 0.00 N ATOM 1096 CA GLU A 82 -3.660 -19.296 -2.969 1.00 0.00 C ATOM 1097 C GLU A 82 -5.105 -19.500 -2.509 1.00 0.00 C ATOM 1098 O GLU A 82 -6.009 -19.660 -3.329 1.00 0.00 O ATOM 1099 CB GLU A 82 -2.791 -20.471 -2.511 1.00 0.00 C ATOM 1100 CG GLU A 82 -1.300 -20.237 -2.700 1.00 0.00 C ATOM 1101 CD GLU A 82 -0.479 -21.483 -2.456 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -0.391 -21.918 -1.289 1.00 0.00 O ATOM 1103 OE2 GLU A 82 0.094 -22.019 -3.431 1.00 0.00 O ATOM 0 H GLU A 82 -2.950 -17.331 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.650 -19.256 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.988 -20.669 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.083 -21.364 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.118 -19.879 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.971 -19.451 -2.021 1.00 0.00 H new ATOM 1110 N SER A 83 -5.313 -19.484 -1.194 1.00 0.00 N ATOM 1111 CA SER A 83 -6.645 -19.654 -0.614 1.00 0.00 C ATOM 1112 C SER A 83 -7.643 -18.685 -1.250 1.00 0.00 C ATOM 1113 O SER A 83 -7.343 -17.504 -1.446 1.00 0.00 O ATOM 1114 CB SER A 83 -6.592 -19.441 0.905 1.00 0.00 C ATOM 1115 OG SER A 83 -6.342 -18.080 1.235 1.00 0.00 O ATOM 0 H SER A 83 -4.572 -19.354 -0.506 1.00 0.00 H new ATOM 0 HA SER A 83 -6.980 -20.671 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.536 -19.756 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.811 -20.069 1.334 1.00 0.00 H new ATOM 0 HG SER A 83 -5.416 -17.854 1.009 1.00 0.00 H new ATOM 1121 N ARG A 84 -8.831 -19.185 -1.581 1.00 0.00 N ATOM 1122 CA ARG A 84 -9.861 -18.351 -2.200 1.00 0.00 C ATOM 1123 C ARG A 84 -10.461 -17.378 -1.179 1.00 0.00 C ATOM 1124 O ARG A 84 -11.650 -17.450 -0.857 1.00 0.00 O ATOM 1125 CB ARG A 84 -10.955 -19.224 -2.823 1.00 0.00 C ATOM 1126 CG ARG A 84 -11.428 -18.721 -4.177 1.00 0.00 C ATOM 1127 CD ARG A 84 -12.937 -18.827 -4.316 1.00 0.00 C ATOM 1128 NE ARG A 84 -13.373 -18.588 -5.694 1.00 0.00 N ATOM 1129 CZ ARG A 84 -13.229 -19.458 -6.686 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -12.666 -20.633 -6.472 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -13.650 -19.150 -7.897 1.00 0.00 N ATOM 0 H ARG A 84 -9.104 -20.156 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.395 -17.765 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.580 -20.242 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.805 -19.269 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.122 -17.683 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.948 -19.297 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.263 -19.817 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.415 -18.106 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.816 -17.694 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.337 -20.879 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.560 -21.295 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.086 -18.244 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.540 -19.818 -8.660 1.00 0.00 H new ATOM 1145 N GLN A 85 -9.614 -16.474 -0.672 1.00 0.00 N ATOM 1146 CA GLN A 85 -10.018 -15.478 0.322 1.00 0.00 C ATOM 1147 C GLN A 85 -10.180 -16.119 1.705 1.00 0.00 C ATOM 1148 O GLN A 85 -10.750 -17.203 1.841 1.00 0.00 O ATOM 1149 CB GLN A 85 -11.308 -14.760 -0.120 1.00 0.00 C ATOM 1150 CG GLN A 85 -12.327 -14.541 0.993 1.00 0.00 C ATOM 1151 CD GLN A 85 -13.692 -14.153 0.465 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -13.973 -12.978 0.248 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -14.548 -15.138 0.252 1.00 0.00 N ATOM 0 H GLN A 85 -8.632 -16.414 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.229 -14.730 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.042 -13.793 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.777 -15.340 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.416 -15.453 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.966 -13.761 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -14.275 -16.102 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -15.481 -14.934 -0.106 1.00 0.00 H new ATOM 1162 N ARG A 86 -9.666 -15.443 2.731 1.00 0.00 N ATOM 1163 CA ARG A 86 -9.743 -15.947 4.104 1.00 0.00 C ATOM 1164 C ARG A 86 -10.900 -15.306 4.881 1.00 0.00 C ATOM 1165 O ARG A 86 -11.571 -15.977 5.665 1.00 0.00 O ATOM 1166 CB ARG A 86 -8.419 -15.698 4.830 1.00 0.00 C ATOM 1167 CG ARG A 86 -7.365 -16.762 4.555 1.00 0.00 C ATOM 1168 CD ARG A 86 -7.572 -17.993 5.425 1.00 0.00 C ATOM 1169 NE ARG A 86 -7.547 -17.667 6.856 1.00 0.00 N ATOM 1170 CZ ARG A 86 -6.449 -17.367 7.541 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -5.269 -17.370 6.952 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -6.535 -17.070 8.821 1.00 0.00 N ATOM 0 H ARG A 86 -9.191 -14.545 2.639 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.933 -17.019 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.028 -14.725 4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.605 -15.652 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.402 -17.048 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.373 -16.349 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.527 -18.457 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.795 -18.726 5.207 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.434 -17.671 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.194 -17.604 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.432 -17.138 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.443 -17.071 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.693 -16.839 9.349 1.00 0.00 H new ATOM 1186 N LEU A 87 -11.122 -14.009 4.665 1.00 0.00 N ATOM 1187 CA LEU A 87 -12.196 -13.284 5.351 1.00 0.00 C ATOM 1188 C LEU A 87 -12.469 -11.933 4.679 1.00 0.00 C ATOM 1189 O LEU A 87 -13.606 -11.630 4.317 1.00 0.00 O ATOM 1190 CB LEU A 87 -11.835 -13.076 6.827 1.00 0.00 C ATOM 1191 CG LEU A 87 -13.021 -12.797 7.753 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -13.688 -14.096 8.175 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -12.568 -12.014 8.975 1.00 0.00 C ATOM 0 H LEU A 87 -10.574 -13.438 4.021 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.104 -13.884 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.315 -13.964 7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.134 -12.245 6.900 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.749 -12.198 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.529 -13.876 8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.047 -14.624 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.967 -14.720 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.424 -11.824 9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.821 -12.591 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.134 -11.065 8.659 1.00 0.00 H new ATOM 1205 N SER A 88 -11.416 -11.132 4.514 1.00 0.00 N ATOM 1206 CA SER A 88 -11.533 -9.816 3.882 1.00 0.00 C ATOM 1207 C SER A 88 -10.181 -9.353 3.326 1.00 0.00 C ATOM 1208 O SER A 88 -9.240 -10.144 3.220 1.00 0.00 O ATOM 1209 CB SER A 88 -12.073 -8.792 4.885 1.00 0.00 C ATOM 1210 OG SER A 88 -12.351 -7.551 4.248 1.00 0.00 O ATOM 0 H SER A 88 -10.470 -11.372 4.810 1.00 0.00 H new ATOM 0 HA SER A 88 -12.233 -9.899 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.980 -9.177 5.350 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.346 -8.640 5.682 1.00 0.00 H new ATOM 0 HG SER A 88 -12.738 -7.717 3.363 1.00 0.00 H new ATOM 1216 N ARG A 89 -10.093 -8.069 2.983 1.00 0.00 N ATOM 1217 CA ARG A 89 -8.863 -7.490 2.445 1.00 0.00 C ATOM 1218 C ARG A 89 -8.700 -6.031 2.884 1.00 0.00 C ATOM 1219 O ARG A 89 -7.551 -5.541 2.877 1.00 0.00 O ATOM 1220 CB ARG A 89 -8.852 -7.584 0.916 1.00 0.00 C ATOM 1221 CG ARG A 89 -10.010 -6.858 0.246 1.00 0.00 C ATOM 1222 CD ARG A 89 -10.990 -7.831 -0.386 1.00 0.00 C ATOM 1223 NE ARG A 89 -12.029 -7.136 -1.150 1.00 0.00 N ATOM 1224 CZ ARG A 89 -12.968 -7.743 -1.866 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -13.015 -9.061 -1.931 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -13.867 -7.029 -2.515 1.00 0.00 N ATOM 0 H ARG A 89 -10.864 -7.406 3.069 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.023 -8.061 2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.914 -7.173 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.878 -8.634 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.530 -6.244 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.624 -6.183 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.452 -8.514 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.455 -8.436 0.392 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.031 -6.116 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.326 -9.621 -1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.740 -9.519 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.841 -6.010 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.588 -7.495 -3.065 1.00 0.00 H new TER 1240 ARG A 89