USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=14 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 Set 1.1: A 25 MET CE :methyl 141:sc= -1.26 (180deg=-2) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -0.755 F(o=-3.4,f=-2) USER MOD Single : A 15 MET CE :methyl -107:sc= -2.39 (180deg=-9.18!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= 0.778 (180deg=-0.00534) USER MOD Single : A 24 SER OG : rot 180:sc= 0.235 USER MOD Single : A 39 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.19) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 94:sc= 1.18 USER MOD Single : A 44 MET CE :methyl 177:sc= 0 (180deg=-0.0237) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 28:sc= 0.305 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 1.21 K(o=1.2,f=-0.034) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -0.947 -3.964 -13.369 1.00 0.00 N ATOM 2 CA MET A 15 -0.344 -4.792 -12.285 1.00 0.00 C ATOM 3 C MET A 15 1.165 -4.955 -12.490 1.00 0.00 C ATOM 4 O MET A 15 1.602 -5.436 -13.532 1.00 0.00 O ATOM 5 CB MET A 15 -1.035 -6.163 -12.279 1.00 0.00 C ATOM 6 CG MET A 15 -0.439 -7.152 -11.286 1.00 0.00 C ATOM 7 SD MET A 15 0.528 -8.441 -12.091 1.00 0.00 S ATOM 8 CE MET A 15 0.353 -9.782 -10.914 1.00 0.00 C ATOM 0 HA MET A 15 -0.490 -4.295 -11.326 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.092 -6.025 -12.049 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.980 -6.591 -13.280 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.194 -6.615 -10.579 1.00 0.00 H new ATOM 0 HG3 MET A 15 -1.242 -7.611 -10.709 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.292 -9.921 -10.378 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.438 -9.542 -10.204 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.099 -10.700 -11.444 1.00 0.00 H new ATOM 18 N MET A 16 1.952 -4.543 -11.493 1.00 0.00 N ATOM 19 CA MET A 16 3.412 -4.643 -11.564 1.00 0.00 C ATOM 20 C MET A 16 4.059 -4.163 -10.261 1.00 0.00 C ATOM 21 O MET A 16 3.484 -3.343 -9.541 1.00 0.00 O ATOM 22 CB MET A 16 3.952 -3.831 -12.750 1.00 0.00 C ATOM 23 CG MET A 16 3.828 -2.324 -12.579 1.00 0.00 C ATOM 24 SD MET A 16 5.420 -1.521 -12.313 1.00 0.00 S ATOM 25 CE MET A 16 4.892 0.068 -11.677 1.00 0.00 C ATOM 0 H MET A 16 1.602 -4.136 -10.626 1.00 0.00 H new ATOM 0 HA MET A 16 3.668 -5.692 -11.710 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.001 -4.084 -12.902 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.419 -4.129 -13.653 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.355 -1.900 -13.465 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.173 -2.111 -11.735 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.766 0.683 -11.463 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.269 0.568 -12.419 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.319 -0.079 -10.762 1.00 0.00 H new ATOM 35 N LYS A 17 5.255 -4.678 -9.971 1.00 0.00 N ATOM 36 CA LYS A 17 5.993 -4.307 -8.759 1.00 0.00 C ATOM 37 C LYS A 17 5.260 -4.772 -7.493 1.00 0.00 C ATOM 38 O LYS A 17 4.941 -3.969 -6.614 1.00 0.00 O ATOM 39 CB LYS A 17 6.222 -2.789 -8.724 1.00 0.00 C ATOM 40 CG LYS A 17 7.645 -2.395 -8.351 1.00 0.00 C ATOM 41 CD LYS A 17 7.980 -0.992 -8.843 1.00 0.00 C ATOM 42 CE LYS A 17 9.070 -1.014 -9.904 1.00 0.00 C ATOM 43 NZ LYS A 17 8.521 -1.337 -11.252 1.00 0.00 N ATOM 0 H LYS A 17 5.736 -5.357 -10.561 1.00 0.00 H new ATOM 0 HA LYS A 17 6.960 -4.810 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.983 -2.371 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.531 -2.342 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.765 -2.441 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.347 -3.110 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.083 -0.526 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.303 -0.379 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.566 -0.044 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.827 -1.750 -9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.838 -2.286 -11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.482 -1.315 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.860 -0.637 -11.942 1.00 0.00 H new ATOM 57 N LEU A 18 5.002 -6.077 -7.404 1.00 0.00 N ATOM 58 CA LEU A 18 4.316 -6.651 -6.247 1.00 0.00 C ATOM 59 C LEU A 18 5.321 -7.168 -5.219 1.00 0.00 C ATOM 60 O LEU A 18 6.176 -8.002 -5.537 1.00 0.00 O ATOM 61 CB LEU A 18 3.385 -7.785 -6.686 1.00 0.00 C ATOM 62 CG LEU A 18 2.359 -7.408 -7.756 1.00 0.00 C ATOM 63 CD1 LEU A 18 2.711 -8.055 -9.084 1.00 0.00 C ATOM 64 CD2 LEU A 18 0.961 -7.816 -7.323 1.00 0.00 C ATOM 0 H LEU A 18 5.258 -6.757 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 18 3.721 -5.864 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.993 -8.608 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.853 -8.156 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 18 2.379 -6.326 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.970 -7.775 -9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.696 -7.716 -9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.720 -9.139 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.245 -7.540 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.929 -8.894 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.705 -7.307 -6.394 1.00 0.00 H new ATOM 76 N GLY A 19 5.219 -6.663 -3.987 1.00 0.00 N ATOM 77 CA GLY A 19 6.128 -7.076 -2.921 1.00 0.00 C ATOM 78 C GLY A 19 5.917 -8.512 -2.473 1.00 0.00 C ATOM 79 O GLY A 19 5.504 -8.755 -1.340 1.00 0.00 O ATOM 0 H GLY A 19 4.522 -5.973 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.156 -6.957 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.998 -6.413 -2.065 1.00 0.00 H new ATOM 83 N LEU A 20 6.206 -9.461 -3.364 1.00 0.00 N ATOM 84 CA LEU A 20 6.052 -10.885 -3.056 1.00 0.00 C ATOM 85 C LEU A 20 6.940 -11.747 -3.961 1.00 0.00 C ATOM 86 O LEU A 20 7.874 -12.395 -3.487 1.00 0.00 O ATOM 87 CB LEU A 20 4.581 -11.315 -3.178 1.00 0.00 C ATOM 88 CG LEU A 20 3.803 -10.713 -4.354 1.00 0.00 C ATOM 89 CD1 LEU A 20 3.321 -11.807 -5.292 1.00 0.00 C ATOM 90 CD2 LEU A 20 2.624 -9.899 -3.849 1.00 0.00 C ATOM 0 H LEU A 20 6.548 -9.270 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 20 6.371 -11.037 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.546 -12.401 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.067 -11.050 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 20 4.473 -10.053 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.771 -11.360 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.178 -12.357 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.668 -12.490 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.082 -9.479 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.957 -10.542 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.985 -9.091 -3.213 1.00 0.00 H new ATOM 102 N VAL A 21 6.651 -11.743 -5.265 1.00 0.00 N ATOM 103 CA VAL A 21 7.426 -12.522 -6.230 1.00 0.00 C ATOM 104 C VAL A 21 7.841 -11.662 -7.429 1.00 0.00 C ATOM 105 O VAL A 21 9.011 -11.300 -7.559 1.00 0.00 O ATOM 106 CB VAL A 21 6.636 -13.758 -6.722 1.00 0.00 C ATOM 107 CG1 VAL A 21 7.494 -14.621 -7.634 1.00 0.00 C ATOM 108 CG2 VAL A 21 6.127 -14.574 -5.545 1.00 0.00 C ATOM 0 H VAL A 21 5.885 -11.208 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 21 8.324 -12.866 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 21 5.778 -13.404 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.917 -15.484 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.806 -14.037 -8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.375 -14.962 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.574 -15.438 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.971 -14.912 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.470 -13.957 -4.932 1.00 0.00 H new ATOM 118 N ARG A 22 6.879 -11.335 -8.297 1.00 0.00 N ATOM 119 CA ARG A 22 7.151 -10.511 -9.483 1.00 0.00 C ATOM 120 C ARG A 22 5.867 -10.195 -10.261 1.00 0.00 C ATOM 121 O ARG A 22 5.580 -9.033 -10.552 1.00 0.00 O ATOM 122 CB ARG A 22 8.176 -11.199 -10.404 1.00 0.00 C ATOM 123 CG ARG A 22 7.841 -12.645 -10.745 1.00 0.00 C ATOM 124 CD ARG A 22 9.032 -13.358 -11.368 1.00 0.00 C ATOM 125 NE ARG A 22 8.785 -14.794 -11.539 1.00 0.00 N ATOM 126 CZ ARG A 22 9.529 -15.597 -12.293 1.00 0.00 C ATOM 127 NH1 ARG A 22 10.574 -15.127 -12.945 1.00 0.00 N ATOM 128 NH2 ARG A 22 9.227 -16.876 -12.386 1.00 0.00 N ATOM 0 H ARG A 22 5.906 -11.627 -8.203 1.00 0.00 H new ATOM 0 HA ARG A 22 7.570 -9.568 -9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.255 -10.629 -11.330 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.155 -11.168 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.531 -13.171 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.997 -12.672 -11.435 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.256 -12.911 -12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.911 -13.214 -10.739 1.00 0.00 H new ATOM 0 HE ARG A 22 7.990 -15.203 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.818 -14.139 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.139 -15.751 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.423 -17.248 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.797 -17.494 -12.964 1.00 0.00 H new ATOM 142 N PHE A 23 5.099 -11.236 -10.586 1.00 0.00 N ATOM 143 CA PHE A 23 3.844 -11.076 -11.325 1.00 0.00 C ATOM 144 C PHE A 23 2.771 -12.022 -10.775 1.00 0.00 C ATOM 145 O PHE A 23 2.011 -12.632 -11.533 1.00 0.00 O ATOM 146 CB PHE A 23 4.080 -11.345 -12.818 1.00 0.00 C ATOM 147 CG PHE A 23 4.048 -10.107 -13.670 1.00 0.00 C ATOM 148 CD1 PHE A 23 2.843 -9.546 -14.053 1.00 0.00 C ATOM 149 CD2 PHE A 23 5.225 -9.507 -14.090 1.00 0.00 C ATOM 150 CE1 PHE A 23 2.808 -8.410 -14.838 1.00 0.00 C ATOM 151 CE2 PHE A 23 5.198 -8.370 -14.875 1.00 0.00 C ATOM 152 CZ PHE A 23 3.988 -7.821 -15.250 1.00 0.00 C ATOM 0 H PHE A 23 5.324 -12.202 -10.349 1.00 0.00 H new ATOM 0 HA PHE A 23 3.492 -10.052 -11.201 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.046 -11.835 -12.941 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.322 -12.041 -13.176 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.917 -10.002 -13.734 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.174 -9.933 -13.800 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.860 -7.983 -15.129 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.122 -7.912 -15.195 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.964 -6.933 -15.864 1.00 0.00 H new ATOM 162 N SER A 24 2.726 -12.149 -9.450 1.00 0.00 N ATOM 163 CA SER A 24 1.767 -13.033 -8.787 1.00 0.00 C ATOM 164 C SER A 24 0.876 -12.265 -7.804 1.00 0.00 C ATOM 165 O SER A 24 1.068 -11.070 -7.578 1.00 0.00 O ATOM 166 CB SER A 24 2.511 -14.158 -8.053 1.00 0.00 C ATOM 167 OG SER A 24 3.905 -14.137 -8.334 1.00 0.00 O ATOM 0 H SER A 24 3.345 -11.649 -8.812 1.00 0.00 H new ATOM 0 HA SER A 24 1.123 -13.462 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.355 -14.057 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.095 -15.122 -8.347 1.00 0.00 H new ATOM 0 HG SER A 24 4.348 -14.862 -7.845 1.00 0.00 H new ATOM 173 N MET A 25 -0.096 -12.974 -7.223 1.00 0.00 N ATOM 174 CA MET A 25 -1.031 -12.391 -6.256 1.00 0.00 C ATOM 175 C MET A 25 -1.661 -11.092 -6.777 1.00 0.00 C ATOM 176 O MET A 25 -1.480 -10.015 -6.204 1.00 0.00 O ATOM 177 CB MET A 25 -0.326 -12.153 -4.915 1.00 0.00 C ATOM 178 CG MET A 25 -1.085 -12.722 -3.727 1.00 0.00 C ATOM 179 SD MET A 25 -2.590 -11.796 -3.360 1.00 0.00 S ATOM 180 CE MET A 25 -2.957 -12.378 -1.706 1.00 0.00 C ATOM 0 H MET A 25 -0.257 -13.964 -7.408 1.00 0.00 H new ATOM 0 HA MET A 25 -1.842 -13.104 -6.109 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.667 -12.600 -4.950 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.188 -11.081 -4.770 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.342 -13.762 -3.929 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.437 -12.718 -2.850 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.322 -11.548 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.720 -13.155 -1.755 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.052 -12.785 -1.255 1.00 0.00 H new ATOM 190 N LEU A 26 -2.418 -11.211 -7.867 1.00 0.00 N ATOM 191 CA LEU A 26 -3.091 -10.061 -8.472 1.00 0.00 C ATOM 192 C LEU A 26 -4.138 -9.466 -7.523 1.00 0.00 C ATOM 193 O LEU A 26 -4.340 -8.251 -7.505 1.00 0.00 O ATOM 194 CB LEU A 26 -3.751 -10.466 -9.795 1.00 0.00 C ATOM 195 CG LEU A 26 -2.821 -11.154 -10.799 1.00 0.00 C ATOM 196 CD1 LEU A 26 -3.228 -12.603 -11.003 1.00 0.00 C ATOM 197 CD2 LEU A 26 -2.822 -10.414 -12.126 1.00 0.00 C ATOM 0 H LEU A 26 -2.581 -12.094 -8.351 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.338 -9.298 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.585 -11.134 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.170 -9.575 -10.262 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.810 -11.133 -10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.554 -13.073 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.174 -13.133 -10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.249 -12.644 -11.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.155 -10.919 -12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.833 -10.400 -12.534 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.479 -9.391 -11.972 1.00 0.00 H new ATOM 209 N LEU A 27 -4.794 -10.326 -6.735 1.00 0.00 N ATOM 210 CA LEU A 27 -5.820 -9.881 -5.780 1.00 0.00 C ATOM 211 C LEU A 27 -5.346 -8.683 -4.949 1.00 0.00 C ATOM 212 O LEU A 27 -6.133 -7.781 -4.651 1.00 0.00 O ATOM 213 CB LEU A 27 -6.220 -11.032 -4.851 1.00 0.00 C ATOM 214 CG LEU A 27 -7.565 -10.851 -4.143 1.00 0.00 C ATOM 215 CD1 LEU A 27 -8.676 -11.522 -4.934 1.00 0.00 C ATOM 216 CD2 LEU A 27 -7.505 -11.411 -2.732 1.00 0.00 C ATOM 0 H LEU A 27 -4.634 -11.333 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.687 -9.564 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.253 -11.954 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.443 -11.158 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.780 -9.784 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.625 -11.384 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.736 -11.077 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.465 -12.587 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.470 -11.273 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.267 -12.474 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.734 -10.888 -2.165 1.00 0.00 H new ATOM 228 N ALA A 28 -4.057 -8.673 -4.590 1.00 0.00 N ATOM 229 CA ALA A 28 -3.478 -7.578 -3.804 1.00 0.00 C ATOM 230 C ALA A 28 -3.850 -6.209 -4.387 1.00 0.00 C ATOM 231 O ALA A 28 -4.040 -5.239 -3.641 1.00 0.00 O ATOM 232 CB ALA A 28 -1.966 -7.728 -3.727 1.00 0.00 C ATOM 0 H ALA A 28 -3.395 -9.411 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.893 -7.633 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.549 -6.909 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.718 -8.677 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.546 -7.705 -4.733 1.00 0.00 H new ATOM 238 N LEU A 29 -3.964 -6.140 -5.720 1.00 0.00 N ATOM 239 CA LEU A 29 -4.324 -4.896 -6.405 1.00 0.00 C ATOM 240 C LEU A 29 -5.552 -4.252 -5.765 1.00 0.00 C ATOM 241 O LEU A 29 -5.640 -3.027 -5.686 1.00 0.00 O ATOM 242 CB LEU A 29 -4.588 -5.157 -7.890 1.00 0.00 C ATOM 243 CG LEU A 29 -3.417 -4.835 -8.817 1.00 0.00 C ATOM 244 CD1 LEU A 29 -2.907 -6.099 -9.486 1.00 0.00 C ATOM 245 CD2 LEU A 29 -3.829 -3.809 -9.859 1.00 0.00 C ATOM 0 H LEU A 29 -3.812 -6.933 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.484 -4.208 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.856 -6.206 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.451 -4.567 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.610 -4.412 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.073 -5.852 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.573 -6.804 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.709 -6.550 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.982 -3.592 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.652 -4.205 -10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.148 -2.893 -9.362 1.00 0.00 H new ATOM 257 N ALA A 30 -6.484 -5.080 -5.290 1.00 0.00 N ATOM 258 CA ALA A 30 -7.689 -4.581 -4.637 1.00 0.00 C ATOM 259 C ALA A 30 -7.322 -3.699 -3.444 1.00 0.00 C ATOM 260 O ALA A 30 -7.895 -2.625 -3.255 1.00 0.00 O ATOM 261 CB ALA A 30 -8.571 -5.743 -4.197 1.00 0.00 C ATOM 0 H ALA A 30 -6.425 -6.097 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.248 -3.976 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.467 -5.356 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.857 -6.333 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.021 -6.372 -3.497 1.00 0.00 H new ATOM 267 N LEU A 31 -6.339 -4.150 -2.659 1.00 0.00 N ATOM 268 CA LEU A 31 -5.868 -3.401 -1.497 1.00 0.00 C ATOM 269 C LEU A 31 -5.095 -2.160 -1.939 1.00 0.00 C ATOM 270 O LEU A 31 -5.337 -1.059 -1.440 1.00 0.00 O ATOM 271 CB LEU A 31 -4.984 -4.286 -0.611 1.00 0.00 C ATOM 272 CG LEU A 31 -4.770 -3.771 0.812 1.00 0.00 C ATOM 273 CD1 LEU A 31 -5.924 -4.187 1.708 1.00 0.00 C ATOM 274 CD2 LEU A 31 -3.453 -4.283 1.372 1.00 0.00 C ATOM 0 H LEU A 31 -5.854 -5.034 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.736 -3.084 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.429 -5.280 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.012 -4.397 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.732 -2.682 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.755 -3.812 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.854 -3.774 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.992 -5.275 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.318 -3.906 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.464 -5.373 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.632 -3.938 0.744 1.00 0.00 H new ATOM 286 N VAL A 32 -4.176 -2.342 -2.893 1.00 0.00 N ATOM 287 CA VAL A 32 -3.383 -1.227 -3.414 1.00 0.00 C ATOM 288 C VAL A 32 -4.303 -0.121 -3.934 1.00 0.00 C ATOM 289 O VAL A 32 -4.199 1.036 -3.519 1.00 0.00 O ATOM 290 CB VAL A 32 -2.428 -1.677 -4.545 1.00 0.00 C ATOM 291 CG1 VAL A 32 -1.423 -0.581 -4.869 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.705 -2.964 -4.171 1.00 0.00 C ATOM 0 H VAL A 32 -3.965 -3.245 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.778 -0.848 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.030 -1.870 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.761 -0.918 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.953 0.315 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.834 -0.354 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.040 -3.257 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.121 -2.803 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.435 -3.754 -3.996 1.00 0.00 H new ATOM 302 N VAL A 33 -5.227 -0.498 -4.822 1.00 0.00 N ATOM 303 CA VAL A 33 -6.191 0.446 -5.380 1.00 0.00 C ATOM 304 C VAL A 33 -7.015 1.081 -4.260 1.00 0.00 C ATOM 305 O VAL A 33 -7.120 2.305 -4.182 1.00 0.00 O ATOM 306 CB VAL A 33 -7.135 -0.235 -6.399 1.00 0.00 C ATOM 307 CG1 VAL A 33 -8.284 0.688 -6.779 1.00 0.00 C ATOM 308 CG2 VAL A 33 -6.364 -0.657 -7.641 1.00 0.00 C ATOM 0 H VAL A 33 -5.325 -1.452 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.628 1.218 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.554 -1.124 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.933 0.185 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.857 0.942 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.886 1.599 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.044 -1.134 -8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.915 0.221 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.580 -1.360 -7.361 1.00 0.00 H new ATOM 318 N LEU A 34 -7.581 0.243 -3.383 1.00 0.00 N ATOM 319 CA LEU A 34 -8.374 0.736 -2.254 1.00 0.00 C ATOM 320 C LEU A 34 -7.589 1.788 -1.473 1.00 0.00 C ATOM 321 O LEU A 34 -8.104 2.868 -1.190 1.00 0.00 O ATOM 322 CB LEU A 34 -8.775 -0.418 -1.326 1.00 0.00 C ATOM 323 CG LEU A 34 -10.276 -0.720 -1.275 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.777 -1.185 -2.632 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.569 -1.767 -0.214 1.00 0.00 C ATOM 0 H LEU A 34 -7.505 -0.773 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.281 1.193 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.250 -1.319 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.432 -0.188 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.802 0.198 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.845 -1.394 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.600 -0.405 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.246 -2.090 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.639 -1.971 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.030 -2.685 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.248 -1.398 0.760 1.00 0.00 H new ATOM 337 N ALA A 35 -6.330 1.474 -1.148 1.00 0.00 N ATOM 338 CA ALA A 35 -5.466 2.405 -0.423 1.00 0.00 C ATOM 339 C ALA A 35 -5.392 3.746 -1.151 1.00 0.00 C ATOM 340 O ALA A 35 -5.657 4.799 -0.563 1.00 0.00 O ATOM 341 CB ALA A 35 -4.075 1.809 -0.245 1.00 0.00 C ATOM 0 H ALA A 35 -5.889 0.583 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.894 2.578 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.444 2.514 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.147 0.879 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.638 1.607 -1.223 1.00 0.00 H new ATOM 347 N ILE A 36 -5.063 3.700 -2.446 1.00 0.00 N ATOM 348 CA ILE A 36 -4.988 4.915 -3.260 1.00 0.00 C ATOM 349 C ILE A 36 -6.328 5.653 -3.231 1.00 0.00 C ATOM 350 O ILE A 36 -6.377 6.871 -3.030 1.00 0.00 O ATOM 351 CB ILE A 36 -4.605 4.604 -4.726 1.00 0.00 C ATOM 352 CG1 ILE A 36 -3.275 3.844 -4.792 1.00 0.00 C ATOM 353 CG2 ILE A 36 -4.519 5.888 -5.541 1.00 0.00 C ATOM 354 CD1 ILE A 36 -2.145 4.524 -4.049 1.00 0.00 C ATOM 0 H ILE A 36 -4.846 2.840 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.208 5.545 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.384 3.972 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.418 2.844 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.989 3.722 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.248 5.649 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.485 6.393 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.762 6.543 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.238 3.927 -4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.973 5.513 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.409 4.622 -2.996 1.00 0.00 H new ATOM 366 N VAL A 37 -7.418 4.898 -3.405 1.00 0.00 N ATOM 367 CA VAL A 37 -8.765 5.466 -3.371 1.00 0.00 C ATOM 368 C VAL A 37 -9.004 6.171 -2.038 1.00 0.00 C ATOM 369 O VAL A 37 -9.509 7.293 -2.000 1.00 0.00 O ATOM 370 CB VAL A 37 -9.850 4.384 -3.581 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.244 4.989 -3.492 1.00 0.00 C ATOM 372 CG2 VAL A 37 -9.659 3.682 -4.918 1.00 0.00 C ATOM 0 H VAL A 37 -7.391 3.892 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.837 6.183 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.747 3.645 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.990 4.208 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.383 5.439 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.359 5.754 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.433 2.925 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.729 4.411 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.679 3.206 -4.942 1.00 0.00 H new ATOM 382 N VAL A 38 -8.608 5.512 -0.946 1.00 0.00 N ATOM 383 CA VAL A 38 -8.746 6.082 0.391 1.00 0.00 C ATOM 384 C VAL A 38 -7.934 7.371 0.499 1.00 0.00 C ATOM 385 O VAL A 38 -8.438 8.393 0.961 1.00 0.00 O ATOM 386 CB VAL A 38 -8.287 5.088 1.483 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.352 5.727 2.863 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.129 3.820 1.446 1.00 0.00 C ATOM 0 H VAL A 38 -8.189 4.582 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.802 6.299 0.550 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.250 4.821 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.024 5.007 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.701 6.601 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.377 6.031 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.789 3.135 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.175 4.073 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.026 3.343 0.471 1.00 0.00 H new ATOM 398 N GLN A 39 -6.678 7.319 0.045 1.00 0.00 N ATOM 399 CA GLN A 39 -5.798 8.492 0.067 1.00 0.00 C ATOM 400 C GLN A 39 -6.421 9.643 -0.728 1.00 0.00 C ATOM 401 O GLN A 39 -6.417 10.797 -0.282 1.00 0.00 O ATOM 402 CB GLN A 39 -4.421 8.137 -0.504 1.00 0.00 C ATOM 403 CG GLN A 39 -3.294 8.207 0.521 1.00 0.00 C ATOM 404 CD GLN A 39 -2.638 6.859 0.772 1.00 0.00 C ATOM 405 OE1 GLN A 39 -2.331 6.122 -0.162 1.00 0.00 O ATOM 406 NE2 GLN A 39 -2.412 6.535 2.035 1.00 0.00 N ATOM 0 H GLN A 39 -6.248 6.479 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.674 8.811 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.459 7.130 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.194 8.814 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.539 8.914 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.688 8.594 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.682 7.175 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.968 5.645 2.262 1.00 0.00 H new ATOM 415 N MET A 40 -6.972 9.320 -1.900 1.00 0.00 N ATOM 416 CA MET A 40 -7.619 10.321 -2.749 1.00 0.00 C ATOM 417 C MET A 40 -8.860 10.884 -2.052 1.00 0.00 C ATOM 418 O MET A 40 -9.003 12.098 -1.905 1.00 0.00 O ATOM 419 CB MET A 40 -7.998 9.707 -4.100 1.00 0.00 C ATOM 420 CG MET A 40 -8.127 10.728 -5.221 1.00 0.00 C ATOM 421 SD MET A 40 -6.875 10.512 -6.500 1.00 0.00 S ATOM 422 CE MET A 40 -7.796 9.581 -7.721 1.00 0.00 C ATOM 0 H MET A 40 -6.983 8.374 -2.282 1.00 0.00 H new ATOM 0 HA MET A 40 -6.918 11.137 -2.924 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.246 8.969 -4.378 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.943 9.175 -3.995 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.117 10.647 -5.669 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.047 11.732 -4.804 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.155 9.369 -8.577 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.137 8.643 -7.282 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.658 10.163 -8.048 1.00 0.00 H new ATOM 432 N ALA A 41 -9.746 9.988 -1.608 1.00 0.00 N ATOM 433 CA ALA A 41 -10.967 10.388 -0.908 1.00 0.00 C ATOM 434 C ALA A 41 -10.638 11.266 0.300 1.00 0.00 C ATOM 435 O ALA A 41 -11.194 12.355 0.455 1.00 0.00 O ATOM 436 CB ALA A 41 -11.758 9.157 -0.482 1.00 0.00 C ATOM 0 H ALA A 41 -9.639 8.980 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.581 10.974 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.664 9.469 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.027 8.575 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.149 8.546 0.185 1.00 0.00 H new ATOM 442 N VAL A 42 -9.715 10.795 1.142 1.00 0.00 N ATOM 443 CA VAL A 42 -9.293 11.548 2.325 1.00 0.00 C ATOM 444 C VAL A 42 -8.829 12.942 1.914 1.00 0.00 C ATOM 445 O VAL A 42 -9.259 13.946 2.488 1.00 0.00 O ATOM 446 CB VAL A 42 -8.154 10.825 3.082 1.00 0.00 C ATOM 447 CG1 VAL A 42 -7.567 11.722 4.163 1.00 0.00 C ATOM 448 CG2 VAL A 42 -8.658 9.525 3.689 1.00 0.00 C ATOM 0 H VAL A 42 -9.246 9.897 1.027 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.150 11.625 2.994 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.366 10.592 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.768 11.192 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.166 12.627 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.347 11.990 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.843 9.030 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.467 9.739 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.026 8.872 2.897 1.00 0.00 H new ATOM 458 N THR A 43 -7.970 12.993 0.894 1.00 0.00 N ATOM 459 CA THR A 43 -7.464 14.263 0.374 1.00 0.00 C ATOM 460 C THR A 43 -8.631 15.153 -0.046 1.00 0.00 C ATOM 461 O THR A 43 -8.728 16.307 0.375 1.00 0.00 O ATOM 462 CB THR A 43 -6.535 14.022 -0.822 1.00 0.00 C ATOM 463 OG1 THR A 43 -5.485 13.135 -0.477 1.00 0.00 O ATOM 464 CG2 THR A 43 -5.897 15.287 -1.352 1.00 0.00 C ATOM 0 H THR A 43 -7.611 12.169 0.412 1.00 0.00 H new ATOM 0 HA THR A 43 -6.897 14.760 1.161 1.00 0.00 H new ATOM 0 HB THR A 43 -7.176 13.599 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.738 12.219 -0.719 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.253 15.043 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.675 15.978 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.303 15.752 -0.565 1.00 0.00 H new ATOM 472 N MET A 44 -9.519 14.592 -0.870 1.00 0.00 N ATOM 473 CA MET A 44 -10.697 15.305 -1.354 1.00 0.00 C ATOM 474 C MET A 44 -11.533 15.848 -0.192 1.00 0.00 C ATOM 475 O MET A 44 -11.955 17.008 -0.209 1.00 0.00 O ATOM 476 CB MET A 44 -11.547 14.377 -2.229 1.00 0.00 C ATOM 477 CG MET A 44 -12.268 15.096 -3.360 1.00 0.00 C ATOM 478 SD MET A 44 -14.027 14.709 -3.420 1.00 0.00 S ATOM 479 CE MET A 44 -14.637 15.694 -2.054 1.00 0.00 C ATOM 0 H MET A 44 -9.440 13.636 -1.217 1.00 0.00 H new ATOM 0 HA MET A 44 -10.360 16.153 -1.950 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.906 13.603 -2.652 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.283 13.874 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 44 -12.141 16.172 -3.241 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.808 14.824 -4.310 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.722 15.603 -1.995 1.00 0.00 H new ATOM 0 HE2 MET A 44 -14.192 15.341 -1.124 1.00 0.00 H new ATOM 0 HE3 MET A 44 -14.369 16.739 -2.211 1.00 0.00 H new ATOM 489 N VAL A 45 -11.765 15.005 0.814 1.00 0.00 N ATOM 490 CA VAL A 45 -12.544 15.399 1.989 1.00 0.00 C ATOM 491 C VAL A 45 -11.837 16.509 2.772 1.00 0.00 C ATOM 492 O VAL A 45 -12.445 17.529 3.098 1.00 0.00 O ATOM 493 CB VAL A 45 -12.801 14.194 2.924 1.00 0.00 C ATOM 494 CG1 VAL A 45 -13.397 14.646 4.249 1.00 0.00 C ATOM 495 CG2 VAL A 45 -13.713 13.181 2.251 1.00 0.00 C ATOM 0 H VAL A 45 -11.424 14.044 0.839 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.502 15.773 1.627 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.842 13.718 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.567 13.778 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.707 15.330 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.344 15.154 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.882 12.340 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.666 13.652 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.245 12.823 1.334 1.00 0.00 H new ATOM 505 N LEU A 46 -10.554 16.301 3.066 1.00 0.00 N ATOM 506 CA LEU A 46 -9.759 17.283 3.809 1.00 0.00 C ATOM 507 C LEU A 46 -9.631 18.597 3.035 1.00 0.00 C ATOM 508 O LEU A 46 -9.919 19.671 3.566 1.00 0.00 O ATOM 509 CB LEU A 46 -8.368 16.716 4.123 1.00 0.00 C ATOM 510 CG LEU A 46 -7.996 16.685 5.608 1.00 0.00 C ATOM 511 CD1 LEU A 46 -8.125 18.069 6.226 1.00 0.00 C ATOM 512 CD2 LEU A 46 -8.866 15.686 6.354 1.00 0.00 C ATOM 0 H LEU A 46 -10.041 15.460 2.801 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.277 17.492 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.310 15.701 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.623 17.308 3.591 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.956 16.370 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.856 18.023 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.458 18.761 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.154 18.416 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.588 15.677 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.913 15.972 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.721 14.691 5.932 1.00 0.00 H new ATOM 524 N HIS A 47 -9.199 18.503 1.777 1.00 0.00 N ATOM 525 CA HIS A 47 -9.035 19.682 0.927 1.00 0.00 C ATOM 526 C HIS A 47 -8.933 19.276 -0.545 1.00 0.00 C ATOM 527 O HIS A 47 -7.878 19.411 -1.170 1.00 0.00 O ATOM 528 CB HIS A 47 -7.796 20.478 1.353 1.00 0.00 C ATOM 529 CG HIS A 47 -7.752 21.860 0.781 1.00 0.00 C ATOM 530 ND1 HIS A 47 -8.511 22.901 1.266 1.00 0.00 N ATOM 531 CD2 HIS A 47 -7.034 22.368 -0.245 1.00 0.00 C ATOM 532 CE1 HIS A 47 -8.263 23.992 0.560 1.00 0.00 C ATOM 533 NE2 HIS A 47 -7.370 23.695 -0.364 1.00 0.00 N ATOM 0 H HIS A 47 -8.956 17.622 1.324 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.913 20.317 1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.771 20.542 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.902 19.937 1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.326 21.830 -0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.715 24.961 0.714 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.991 24.344 -1.054 1.00 0.00 H new ATOM 542 N GLY A 48 -10.039 18.764 -1.085 1.00 0.00 N ATOM 543 CA GLY A 48 -10.065 18.331 -2.471 1.00 0.00 C ATOM 544 C GLY A 48 -10.294 19.461 -3.448 1.00 0.00 C ATOM 545 O GLY A 48 -9.401 20.275 -3.684 1.00 0.00 O ATOM 0 H GLY A 48 -10.919 18.642 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.121 17.841 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.851 17.587 -2.597 1.00 0.00 H new ATOM 549 N GLN A 49 -11.494 19.506 -4.032 1.00 0.00 N ATOM 550 CA GLN A 49 -11.844 20.541 -5.006 1.00 0.00 C ATOM 551 C GLN A 49 -10.818 20.573 -6.144 1.00 0.00 C ATOM 552 O GLN A 49 -10.067 21.540 -6.291 1.00 0.00 O ATOM 553 CB GLN A 49 -11.933 21.909 -4.317 1.00 0.00 C ATOM 554 CG GLN A 49 -13.335 22.257 -3.833 1.00 0.00 C ATOM 555 CD GLN A 49 -13.339 23.314 -2.746 1.00 0.00 C ATOM 556 OE1 GLN A 49 -13.668 24.470 -2.991 1.00 0.00 O ATOM 557 NE2 GLN A 49 -12.972 22.922 -1.533 1.00 0.00 N ATOM 0 H GLN A 49 -12.240 18.836 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.819 20.306 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.250 21.924 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.596 22.679 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.928 22.609 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.818 21.355 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.705 21.951 -1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.957 23.591 -0.764 1.00 0.00 H new ATOM 566 N VAL A 50 -10.781 19.488 -6.926 1.00 0.00 N ATOM 567 CA VAL A 50 -9.841 19.341 -8.049 1.00 0.00 C ATOM 568 C VAL A 50 -8.490 18.798 -7.573 1.00 0.00 C ATOM 569 O VAL A 50 -7.904 17.927 -8.223 1.00 0.00 O ATOM 570 CB VAL A 50 -9.620 20.666 -8.824 1.00 0.00 C ATOM 571 CG1 VAL A 50 -8.661 20.457 -9.986 1.00 0.00 C ATOM 572 CG2 VAL A 50 -10.945 21.224 -9.326 1.00 0.00 C ATOM 0 H VAL A 50 -11.400 18.687 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.300 18.627 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.178 21.389 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.520 21.399 -10.516 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.701 20.107 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.074 19.715 -10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.767 22.153 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.415 20.501 -9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.603 21.418 -8.479 1.00 0.00 H new ATOM 582 N GLU A 51 -8.007 19.308 -6.430 1.00 0.00 N ATOM 583 CA GLU A 51 -6.733 18.872 -5.847 1.00 0.00 C ATOM 584 C GLU A 51 -5.537 19.250 -6.727 1.00 0.00 C ATOM 585 O GLU A 51 -4.675 20.028 -6.309 1.00 0.00 O ATOM 586 CB GLU A 51 -6.755 17.360 -5.587 1.00 0.00 C ATOM 587 CG GLU A 51 -7.393 16.982 -4.256 1.00 0.00 C ATOM 588 CD GLU A 51 -8.737 16.292 -4.411 1.00 0.00 C ATOM 589 OE1 GLU A 51 -9.647 16.883 -5.033 1.00 0.00 O ATOM 590 OE2 GLU A 51 -8.883 15.164 -3.897 1.00 0.00 O ATOM 0 H GLU A 51 -8.485 20.028 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.612 19.394 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.298 16.868 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.734 16.980 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.716 16.326 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.521 17.881 -3.653 1.00 0.00 H new ATOM 597 N SER A 52 -5.483 18.700 -7.940 1.00 0.00 N ATOM 598 CA SER A 52 -4.388 18.985 -8.867 1.00 0.00 C ATOM 599 C SER A 52 -4.701 18.462 -10.271 1.00 0.00 C ATOM 600 O SER A 52 -4.924 17.267 -10.460 1.00 0.00 O ATOM 601 CB SER A 52 -3.080 18.364 -8.354 1.00 0.00 C ATOM 602 OG SER A 52 -3.196 16.958 -8.194 1.00 0.00 O ATOM 0 H SER A 52 -6.184 18.055 -8.303 1.00 0.00 H new ATOM 0 HA SER A 52 -4.271 20.067 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.273 18.586 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.810 18.818 -7.401 1.00 0.00 H new ATOM 0 HG SER A 52 -3.859 16.610 -8.827 1.00 0.00 H new ATOM 608 N ILE A 53 -4.717 19.370 -11.251 1.00 0.00 N ATOM 609 CA ILE A 53 -5.008 19.006 -12.645 1.00 0.00 C ATOM 610 C ILE A 53 -4.051 17.931 -13.172 1.00 0.00 C ATOM 611 O ILE A 53 -4.451 17.072 -13.960 1.00 0.00 O ATOM 612 CB ILE A 53 -4.958 20.234 -13.587 1.00 0.00 C ATOM 613 CG1 ILE A 53 -3.593 20.927 -13.519 1.00 0.00 C ATOM 614 CG2 ILE A 53 -6.067 21.217 -13.243 1.00 0.00 C ATOM 615 CD1 ILE A 53 -2.766 20.755 -14.774 1.00 0.00 C ATOM 0 H ILE A 53 -4.532 20.363 -11.107 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.021 18.604 -12.641 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.108 19.880 -14.607 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.743 21.991 -13.335 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.036 20.532 -12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.016 22.073 -13.915 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.034 20.727 -13.353 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.946 21.556 -12.214 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.813 21.271 -14.656 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.585 19.694 -14.948 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.303 21.175 -15.624 1.00 0.00 H new ATOM 627 N ASP A 54 -2.794 17.980 -12.734 1.00 0.00 N ATOM 628 CA ASP A 54 -1.792 17.008 -13.162 1.00 0.00 C ATOM 629 C ASP A 54 -1.104 16.360 -11.955 1.00 0.00 C ATOM 630 O ASP A 54 -1.375 16.718 -10.804 1.00 0.00 O ATOM 631 CB ASP A 54 -0.758 17.687 -14.069 1.00 0.00 C ATOM 632 CG ASP A 54 -0.301 16.787 -15.198 1.00 0.00 C ATOM 633 OD1 ASP A 54 0.247 15.703 -14.908 1.00 0.00 O ATOM 634 OD2 ASP A 54 -0.492 17.168 -16.371 1.00 0.00 O ATOM 0 H ASP A 54 -2.446 18.683 -12.082 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.294 16.220 -13.724 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.187 18.598 -14.485 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.105 17.984 -13.473 1.00 0.00 H new ATOM 639 N VAL A 55 -0.208 15.414 -12.223 1.00 0.00 N ATOM 640 CA VAL A 55 0.525 14.716 -11.161 1.00 0.00 C ATOM 641 C VAL A 55 1.560 15.641 -10.490 1.00 0.00 C ATOM 642 O VAL A 55 2.760 15.355 -10.464 1.00 0.00 O ATOM 643 CB VAL A 55 1.208 13.436 -11.714 1.00 0.00 C ATOM 644 CG1 VAL A 55 2.290 13.781 -12.727 1.00 0.00 C ATOM 645 CG2 VAL A 55 1.772 12.590 -10.582 1.00 0.00 C ATOM 0 H VAL A 55 0.031 15.110 -13.167 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.197 14.419 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 55 0.447 12.849 -12.229 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.749 12.864 -13.096 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.847 14.326 -13.561 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.050 14.401 -12.251 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.245 11.699 -10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.510 13.169 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.965 12.295 -9.912 1.00 0.00 H new ATOM 655 N ILE A 56 1.075 16.756 -9.944 1.00 0.00 N ATOM 656 CA ILE A 56 1.934 17.740 -9.276 1.00 0.00 C ATOM 657 C ILE A 56 2.684 17.146 -8.077 1.00 0.00 C ATOM 658 O ILE A 56 3.827 17.513 -7.811 1.00 0.00 O ATOM 659 CB ILE A 56 1.116 18.970 -8.814 1.00 0.00 C ATOM 660 CG1 ILE A 56 2.048 20.113 -8.406 1.00 0.00 C ATOM 661 CG2 ILE A 56 0.186 18.606 -7.663 1.00 0.00 C ATOM 662 CD1 ILE A 56 1.950 21.324 -9.310 1.00 0.00 C ATOM 0 H ILE A 56 0.085 17.003 -9.950 1.00 0.00 H new ATOM 0 HA ILE A 56 2.673 18.051 -10.015 1.00 0.00 H new ATOM 0 HB ILE A 56 0.505 19.302 -9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.817 20.413 -7.384 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.076 19.751 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.377 19.488 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.506 17.828 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.775 18.242 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.638 22.095 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.210 21.039 -10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.931 21.711 -9.290 1.00 0.00 H new ATOM 674 N ARG A 57 2.037 16.231 -7.353 1.00 0.00 N ATOM 675 CA ARG A 57 2.654 15.604 -6.185 1.00 0.00 C ATOM 676 C ARG A 57 3.264 14.238 -6.528 1.00 0.00 C ATOM 677 O ARG A 57 3.311 13.341 -5.685 1.00 0.00 O ATOM 678 CB ARG A 57 1.623 15.460 -5.059 1.00 0.00 C ATOM 679 CG ARG A 57 1.195 16.789 -4.455 1.00 0.00 C ATOM 680 CD ARG A 57 0.286 16.588 -3.254 1.00 0.00 C ATOM 681 NE ARG A 57 0.224 17.785 -2.408 1.00 0.00 N ATOM 682 CZ ARG A 57 1.184 18.165 -1.572 1.00 0.00 C ATOM 683 NH1 ARG A 57 2.292 17.460 -1.459 1.00 0.00 N ATOM 684 NH2 ARG A 57 1.030 19.257 -0.851 1.00 0.00 N ATOM 0 H ARG A 57 1.090 15.909 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 57 3.465 16.250 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.743 14.946 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.040 14.830 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.077 17.354 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.678 17.383 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.717 16.333 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.645 15.745 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.613 18.365 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.418 16.615 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.024 17.760 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.176 19.808 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.765 19.552 -0.208 1.00 0.00 H new ATOM 698 N SER A 58 3.740 14.088 -7.768 1.00 0.00 N ATOM 699 CA SER A 58 4.352 12.832 -8.214 1.00 0.00 C ATOM 700 C SER A 58 5.467 12.391 -7.265 1.00 0.00 C ATOM 701 O SER A 58 5.371 11.338 -6.632 1.00 0.00 O ATOM 702 CB SER A 58 4.904 12.982 -9.636 1.00 0.00 C ATOM 703 OG SER A 58 5.464 11.761 -10.093 1.00 0.00 O ATOM 0 H SER A 58 3.714 14.819 -8.479 1.00 0.00 H new ATOM 0 HA SER A 58 3.578 12.065 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.106 13.295 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.663 13.764 -9.655 1.00 0.00 H new ATOM 0 HG SER A 58 5.808 11.879 -11.003 1.00 0.00 H new ATOM 709 N ILE A 59 6.519 13.211 -7.163 1.00 0.00 N ATOM 710 CA ILE A 59 7.659 12.916 -6.286 1.00 0.00 C ATOM 711 C ILE A 59 7.200 12.498 -4.885 1.00 0.00 C ATOM 712 O ILE A 59 7.733 11.547 -4.309 1.00 0.00 O ATOM 713 CB ILE A 59 8.609 14.131 -6.169 1.00 0.00 C ATOM 714 CG1 ILE A 59 9.150 14.524 -7.545 1.00 0.00 C ATOM 715 CG2 ILE A 59 9.758 13.826 -5.218 1.00 0.00 C ATOM 716 CD1 ILE A 59 8.926 15.980 -7.888 1.00 0.00 C ATOM 0 H ILE A 59 6.605 14.087 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 59 8.197 12.085 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 59 8.041 14.969 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.218 14.311 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.675 13.903 -8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.414 14.694 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.361 13.593 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.323 12.972 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.335 16.188 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.857 16.194 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.425 16.609 -7.150 1.00 0.00 H new ATOM 728 N PHE A 60 6.202 13.209 -4.351 1.00 0.00 N ATOM 729 CA PHE A 60 5.658 12.913 -3.022 1.00 0.00 C ATOM 730 C PHE A 60 5.375 11.414 -2.858 1.00 0.00 C ATOM 731 O PHE A 60 5.649 10.839 -1.799 1.00 0.00 O ATOM 732 CB PHE A 60 4.380 13.729 -2.788 1.00 0.00 C ATOM 733 CG PHE A 60 3.611 13.338 -1.555 1.00 0.00 C ATOM 734 CD1 PHE A 60 4.206 13.382 -0.304 1.00 0.00 C ATOM 735 CD2 PHE A 60 2.291 12.929 -1.652 1.00 0.00 C ATOM 736 CE1 PHE A 60 3.497 13.024 0.827 1.00 0.00 C ATOM 737 CE2 PHE A 60 1.578 12.570 -0.524 1.00 0.00 C ATOM 738 CZ PHE A 60 2.182 12.619 0.717 1.00 0.00 C ATOM 0 H PHE A 60 5.753 13.996 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 60 6.403 13.193 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.645 14.784 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.730 13.621 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.234 13.699 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.814 12.890 -2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.972 13.061 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.550 12.252 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.626 12.341 1.600 1.00 0.00 H new ATOM 748 N PHE A 61 4.845 10.787 -3.915 1.00 0.00 N ATOM 749 CA PHE A 61 4.541 9.353 -3.888 1.00 0.00 C ATOM 750 C PHE A 61 5.711 8.558 -3.306 1.00 0.00 C ATOM 751 O PHE A 61 5.509 7.643 -2.506 1.00 0.00 O ATOM 752 CB PHE A 61 4.209 8.845 -5.294 1.00 0.00 C ATOM 753 CG PHE A 61 3.122 7.807 -5.312 1.00 0.00 C ATOM 754 CD1 PHE A 61 3.320 6.567 -4.728 1.00 0.00 C ATOM 755 CD2 PHE A 61 1.902 8.075 -5.911 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.322 5.612 -4.743 1.00 0.00 C ATOM 757 CE2 PHE A 61 0.899 7.124 -5.928 1.00 0.00 C ATOM 758 CZ PHE A 61 1.110 5.890 -5.343 1.00 0.00 C ATOM 0 H PHE A 61 4.619 11.249 -4.796 1.00 0.00 H new ATOM 0 HA PHE A 61 3.671 9.207 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.906 9.688 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.109 8.425 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.265 6.344 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.733 9.038 -6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.490 4.648 -4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.048 7.345 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.329 5.145 -5.355 1.00 0.00 H new ATOM 768 N GLY A 62 6.934 8.930 -3.695 1.00 0.00 N ATOM 769 CA GLY A 62 8.123 8.259 -3.187 1.00 0.00 C ATOM 770 C GLY A 62 8.085 8.081 -1.681 1.00 0.00 C ATOM 771 O GLY A 62 8.370 6.998 -1.176 1.00 0.00 O ATOM 0 H GLY A 62 7.121 9.686 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.218 7.283 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.007 8.835 -3.460 1.00 0.00 H new ATOM 775 N LEU A 63 7.700 9.137 -0.961 1.00 0.00 N ATOM 776 CA LEU A 63 7.603 9.071 0.496 1.00 0.00 C ATOM 777 C LEU A 63 6.595 8.000 0.916 1.00 0.00 C ATOM 778 O LEU A 63 6.821 7.263 1.882 1.00 0.00 O ATOM 779 CB LEU A 63 7.200 10.432 1.073 1.00 0.00 C ATOM 780 CG LEU A 63 7.374 10.569 2.586 1.00 0.00 C ATOM 781 CD1 LEU A 63 8.753 11.115 2.919 1.00 0.00 C ATOM 782 CD2 LEU A 63 6.294 11.464 3.168 1.00 0.00 C ATOM 0 H LEU A 63 7.452 10.042 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 63 8.583 8.804 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.790 11.207 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.156 10.621 0.824 1.00 0.00 H new ATOM 0 HG LEU A 63 7.279 9.579 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.857 11.205 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.515 10.436 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.877 12.096 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.434 11.550 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.357 12.453 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.314 11.033 2.963 1.00 0.00 H new ATOM 794 N LEU A 64 5.494 7.897 0.162 1.00 0.00 N ATOM 795 CA LEU A 64 4.464 6.899 0.438 1.00 0.00 C ATOM 796 C LEU A 64 5.044 5.488 0.368 1.00 0.00 C ATOM 797 O LEU A 64 4.507 4.563 0.977 1.00 0.00 O ATOM 798 CB LEU A 64 3.295 7.044 -0.543 1.00 0.00 C ATOM 799 CG LEU A 64 2.246 8.085 -0.148 1.00 0.00 C ATOM 800 CD1 LEU A 64 1.707 8.797 -1.377 1.00 0.00 C ATOM 801 CD2 LEU A 64 1.112 7.430 0.624 1.00 0.00 C ATOM 0 H LEU A 64 5.297 8.493 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 64 4.092 7.068 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.693 7.305 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.804 6.076 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 64 2.723 8.824 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.962 9.533 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.524 9.300 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.247 8.070 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.374 8.185 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.640 6.670 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.508 6.965 1.527 1.00 0.00 H new ATOM 813 N ILE A 65 6.159 5.329 -0.357 1.00 0.00 N ATOM 814 CA ILE A 65 6.813 4.029 -0.473 1.00 0.00 C ATOM 815 C ILE A 65 7.165 3.477 0.910 1.00 0.00 C ATOM 816 O ILE A 65 7.123 2.268 1.124 1.00 0.00 O ATOM 817 CB ILE A 65 8.093 4.107 -1.339 1.00 0.00 C ATOM 818 CG1 ILE A 65 7.744 4.519 -2.775 1.00 0.00 C ATOM 819 CG2 ILE A 65 8.832 2.776 -1.338 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.966 3.469 -3.541 1.00 0.00 C ATOM 0 H ILE A 65 6.621 6.082 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 65 6.108 3.358 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 65 8.749 4.863 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.162 5.440 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.665 4.740 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.728 2.857 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.115 2.518 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.183 1.999 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.757 3.833 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.554 2.553 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.027 3.264 -3.026 1.00 0.00 H new ATOM 832 N THR A 66 7.491 4.370 1.856 1.00 0.00 N ATOM 833 CA THR A 66 7.828 3.945 3.217 1.00 0.00 C ATOM 834 C THR A 66 6.639 3.221 3.861 1.00 0.00 C ATOM 835 O THR A 66 6.711 2.015 4.116 1.00 0.00 O ATOM 836 CB THR A 66 8.272 5.141 4.071 1.00 0.00 C ATOM 837 OG1 THR A 66 9.577 5.554 3.711 1.00 0.00 O ATOM 838 CG2 THR A 66 8.285 4.858 5.558 1.00 0.00 C ATOM 0 H THR A 66 7.528 5.378 1.704 1.00 0.00 H new ATOM 0 HA THR A 66 8.664 3.248 3.162 1.00 0.00 H new ATOM 0 HB THR A 66 7.533 5.918 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.843 6.318 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.609 5.749 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.282 4.582 5.885 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.973 4.039 5.766 1.00 0.00 H new ATOM 846 N PRO A 67 5.516 3.932 4.117 1.00 0.00 N ATOM 847 CA PRO A 67 4.321 3.319 4.712 1.00 0.00 C ATOM 848 C PRO A 67 3.743 2.220 3.818 1.00 0.00 C ATOM 849 O PRO A 67 3.290 1.185 4.310 1.00 0.00 O ATOM 850 CB PRO A 67 3.335 4.486 4.848 1.00 0.00 C ATOM 851 CG PRO A 67 3.818 5.515 3.883 1.00 0.00 C ATOM 852 CD PRO A 67 5.313 5.366 3.832 1.00 0.00 C ATOM 0 HA PRO A 67 4.540 2.833 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.318 4.172 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.322 4.875 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.377 5.363 2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.537 6.517 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.713 5.644 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.807 5.998 4.571 1.00 0.00 H new ATOM 860 N TRP A 68 3.779 2.448 2.501 1.00 0.00 N ATOM 861 CA TRP A 68 3.277 1.476 1.532 1.00 0.00 C ATOM 862 C TRP A 68 4.047 0.161 1.638 1.00 0.00 C ATOM 863 O TRP A 68 3.444 -0.904 1.777 1.00 0.00 O ATOM 864 CB TRP A 68 3.380 2.040 0.109 1.00 0.00 C ATOM 865 CG TRP A 68 2.703 1.197 -0.933 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.719 0.269 -0.736 1.00 0.00 C ATOM 867 CD2 TRP A 68 2.965 1.210 -2.341 1.00 0.00 C ATOM 868 NE1 TRP A 68 1.357 -0.296 -1.938 1.00 0.00 N ATOM 869 CE2 TRP A 68 2.109 0.264 -2.936 1.00 0.00 C ATOM 870 CE3 TRP A 68 3.843 1.930 -3.156 1.00 0.00 C ATOM 871 CZ2 TRP A 68 2.104 0.021 -4.307 1.00 0.00 C ATOM 872 CZ3 TRP A 68 3.837 1.689 -4.517 1.00 0.00 C ATOM 873 CH2 TRP A 68 2.974 0.741 -5.079 1.00 0.00 C ATOM 0 H TRP A 68 4.152 3.301 2.084 1.00 0.00 H new ATOM 0 HA TRP A 68 2.229 1.279 1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 68 2.944 3.039 0.093 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.433 2.147 -0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.289 0.016 0.222 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.645 -1.015 -2.065 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.514 2.661 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.438 -0.708 -4.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 4.509 2.241 -5.157 1.00 0.00 H new ATOM 0 HH2 TRP A 68 2.995 0.574 -6.146 1.00 0.00 H new ATOM 884 N ALA A 69 5.381 0.242 1.591 1.00 0.00 N ATOM 885 CA ALA A 69 6.228 -0.944 1.700 1.00 0.00 C ATOM 886 C ALA A 69 5.983 -1.652 3.032 1.00 0.00 C ATOM 887 O ALA A 69 5.784 -2.866 3.067 1.00 0.00 O ATOM 888 CB ALA A 69 7.695 -0.567 1.552 1.00 0.00 C ATOM 0 H ALA A 69 5.894 1.116 1.478 1.00 0.00 H new ATOM 0 HA ALA A 69 5.970 -1.631 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.311 -1.462 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.856 -0.106 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.971 0.138 2.337 1.00 0.00 H new ATOM 894 N VAL A 70 5.978 -0.880 4.122 1.00 0.00 N ATOM 895 CA VAL A 70 5.732 -1.434 5.454 1.00 0.00 C ATOM 896 C VAL A 70 4.389 -2.164 5.483 1.00 0.00 C ATOM 897 O VAL A 70 4.321 -3.347 5.831 1.00 0.00 O ATOM 898 CB VAL A 70 5.747 -0.334 6.539 1.00 0.00 C ATOM 899 CG1 VAL A 70 5.270 -0.882 7.876 1.00 0.00 C ATOM 900 CG2 VAL A 70 7.139 0.262 6.679 1.00 0.00 C ATOM 0 H VAL A 70 6.141 0.127 4.108 1.00 0.00 H new ATOM 0 HA VAL A 70 6.536 -2.137 5.671 1.00 0.00 H new ATOM 0 HB VAL A 70 5.061 0.454 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.290 -0.088 8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.252 -1.258 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.926 -1.693 8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.128 1.035 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.843 -0.521 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.445 0.700 5.729 1.00 0.00 H new ATOM 910 N TYR A 71 3.323 -1.458 5.091 1.00 0.00 N ATOM 911 CA TYR A 71 1.984 -2.044 5.049 1.00 0.00 C ATOM 912 C TYR A 71 1.983 -3.294 4.172 1.00 0.00 C ATOM 913 O TYR A 71 1.535 -4.359 4.599 1.00 0.00 O ATOM 914 CB TYR A 71 0.966 -1.026 4.524 1.00 0.00 C ATOM 915 CG TYR A 71 0.001 -0.536 5.580 1.00 0.00 C ATOM 916 CD1 TYR A 71 -1.080 -1.315 5.976 1.00 0.00 C ATOM 917 CD2 TYR A 71 0.171 0.704 6.179 1.00 0.00 C ATOM 918 CE1 TYR A 71 -1.963 -0.869 6.941 1.00 0.00 C ATOM 919 CE2 TYR A 71 -0.708 1.156 7.145 1.00 0.00 C ATOM 920 CZ TYR A 71 -1.772 0.366 7.522 1.00 0.00 C ATOM 921 OH TYR A 71 -2.646 0.811 8.484 1.00 0.00 O ATOM 0 H TYR A 71 3.364 -0.482 4.799 1.00 0.00 H new ATOM 0 HA TYR A 71 1.698 -2.325 6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.500 -0.172 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.401 -1.477 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.232 -2.283 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.004 1.326 5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.799 -1.485 7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.562 2.124 7.602 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.369 1.699 8.792 1.00 0.00 H new ATOM 931 N PHE A 72 2.512 -3.158 2.952 1.00 0.00 N ATOM 932 CA PHE A 72 2.600 -4.279 2.019 1.00 0.00 C ATOM 933 C PHE A 72 3.268 -5.473 2.693 1.00 0.00 C ATOM 934 O PHE A 72 2.708 -6.568 2.720 1.00 0.00 O ATOM 935 CB PHE A 72 3.391 -3.875 0.767 1.00 0.00 C ATOM 936 CG PHE A 72 2.867 -4.482 -0.505 1.00 0.00 C ATOM 937 CD1 PHE A 72 2.832 -5.858 -0.672 1.00 0.00 C ATOM 938 CD2 PHE A 72 2.413 -3.674 -1.534 1.00 0.00 C ATOM 939 CE1 PHE A 72 2.354 -6.415 -1.842 1.00 0.00 C ATOM 940 CE2 PHE A 72 1.933 -4.225 -2.706 1.00 0.00 C ATOM 941 CZ PHE A 72 1.903 -5.597 -2.861 1.00 0.00 C ATOM 0 H PHE A 72 2.885 -2.281 2.590 1.00 0.00 H new ATOM 0 HA PHE A 72 1.590 -4.559 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.375 -2.789 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.433 -4.169 0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.182 -6.501 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.435 -2.600 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.333 -7.488 -1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.581 -3.584 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.528 -6.030 -3.777 1.00 0.00 H new ATOM 951 N LEU A 73 4.461 -5.246 3.251 1.00 0.00 N ATOM 952 CA LEU A 73 5.204 -6.299 3.942 1.00 0.00 C ATOM 953 C LEU A 73 4.343 -6.927 5.037 1.00 0.00 C ATOM 954 O LEU A 73 4.163 -8.146 5.065 1.00 0.00 O ATOM 955 CB LEU A 73 6.506 -5.742 4.531 1.00 0.00 C ATOM 956 CG LEU A 73 7.777 -6.169 3.795 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.791 -5.610 2.381 1.00 0.00 C ATOM 958 CD2 LEU A 73 9.013 -5.718 4.555 1.00 0.00 C ATOM 0 H LEU A 73 4.931 -4.341 3.237 1.00 0.00 H new ATOM 0 HA LEU A 73 5.460 -7.073 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.452 -4.653 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.582 -6.058 5.571 1.00 0.00 H new ATOM 0 HG LEU A 73 7.787 -7.257 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.703 -5.925 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.925 -5.982 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.755 -4.521 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.907 -6.031 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.007 -4.632 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.013 -6.167 5.548 1.00 0.00 H new ATOM 970 N SER A 74 3.784 -6.089 5.916 1.00 0.00 N ATOM 971 CA SER A 74 2.908 -6.580 6.985 1.00 0.00 C ATOM 972 C SER A 74 1.809 -7.455 6.385 1.00 0.00 C ATOM 973 O SER A 74 1.544 -8.563 6.867 1.00 0.00 O ATOM 974 CB SER A 74 2.289 -5.416 7.762 1.00 0.00 C ATOM 975 OG SER A 74 2.247 -5.696 9.153 1.00 0.00 O ATOM 0 H SER A 74 3.920 -5.078 5.910 1.00 0.00 H new ATOM 0 HA SER A 74 3.504 -7.172 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.868 -4.509 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.280 -5.225 7.395 1.00 0.00 H new ATOM 0 HG SER A 74 1.849 -4.937 9.628 1.00 0.00 H new ATOM 981 N VAL A 75 1.202 -6.963 5.305 1.00 0.00 N ATOM 982 CA VAL A 75 0.161 -7.706 4.602 1.00 0.00 C ATOM 983 C VAL A 75 0.715 -9.046 4.126 1.00 0.00 C ATOM 984 O VAL A 75 0.124 -10.086 4.385 1.00 0.00 O ATOM 985 CB VAL A 75 -0.391 -6.913 3.392 1.00 0.00 C ATOM 986 CG1 VAL A 75 -1.376 -7.753 2.592 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.049 -5.622 3.855 1.00 0.00 C ATOM 0 H VAL A 75 1.415 -6.052 4.899 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.660 -7.869 5.300 1.00 0.00 H new ATOM 0 HB VAL A 75 0.448 -6.663 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.748 -7.172 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.875 -8.648 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.211 -8.041 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.431 -5.078 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.872 -5.855 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.316 -5.006 4.376 1.00 0.00 H new ATOM 997 N VAL A 76 1.870 -9.014 3.457 1.00 0.00 N ATOM 998 CA VAL A 76 2.519 -10.235 2.972 1.00 0.00 C ATOM 999 C VAL A 76 2.648 -11.258 4.104 1.00 0.00 C ATOM 1000 O VAL A 76 2.473 -12.459 3.894 1.00 0.00 O ATOM 1001 CB VAL A 76 3.918 -9.934 2.380 1.00 0.00 C ATOM 1002 CG1 VAL A 76 4.659 -11.220 2.045 1.00 0.00 C ATOM 1003 CG2 VAL A 76 3.797 -9.057 1.142 1.00 0.00 C ATOM 0 H VAL A 76 2.376 -8.155 3.239 1.00 0.00 H new ATOM 0 HA VAL A 76 1.893 -10.648 2.181 1.00 0.00 H new ATOM 0 HB VAL A 76 4.493 -9.397 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.638 -10.979 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.784 -11.814 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.086 -11.790 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.790 -8.856 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.198 -9.570 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.316 -8.116 1.408 1.00 0.00 H new ATOM 1013 N VAL A 77 2.934 -10.763 5.311 1.00 0.00 N ATOM 1014 CA VAL A 77 3.064 -11.616 6.491 1.00 0.00 C ATOM 1015 C VAL A 77 1.702 -12.190 6.908 1.00 0.00 C ATOM 1016 O VAL A 77 1.607 -13.355 7.294 1.00 0.00 O ATOM 1017 CB VAL A 77 3.672 -10.833 7.680 1.00 0.00 C ATOM 1018 CG1 VAL A 77 3.744 -11.703 8.924 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.053 -10.296 7.323 1.00 0.00 C ATOM 0 H VAL A 77 3.080 -9.770 5.495 1.00 0.00 H new ATOM 0 HA VAL A 77 3.732 -12.435 6.225 1.00 0.00 H new ATOM 0 HB VAL A 77 3.019 -9.987 7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.175 -11.129 9.745 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.741 -12.031 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.368 -12.574 8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.462 -9.749 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.713 -11.127 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.973 -9.627 6.466 1.00 0.00 H new ATOM 1029 N GLU A 78 0.657 -11.358 6.837 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.704 -11.775 7.215 1.00 0.00 C ATOM 1031 C GLU A 78 -1.455 -12.453 6.054 1.00 0.00 C ATOM 1032 O GLU A 78 -2.361 -13.262 6.279 1.00 0.00 O ATOM 1033 CB GLU A 78 -1.501 -10.561 7.709 1.00 0.00 C ATOM 1034 CG GLU A 78 -2.373 -10.853 8.924 1.00 0.00 C ATOM 1035 CD GLU A 78 -3.814 -10.420 8.735 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -4.049 -9.219 8.494 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -4.712 -11.291 8.825 1.00 0.00 O ATOM 0 H GLU A 78 0.725 -10.390 6.521 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.608 -12.511 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.807 -9.758 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.133 -10.198 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.345 -11.922 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.957 -10.344 9.794 1.00 0.00 H new ATOM 1044 N GLN A 79 -1.090 -12.110 4.821 1.00 0.00 N ATOM 1045 CA GLN A 79 -1.728 -12.672 3.631 1.00 0.00 C ATOM 1046 C GLN A 79 -0.974 -13.909 3.130 1.00 0.00 C ATOM 1047 O GLN A 79 -0.068 -14.406 3.799 1.00 0.00 O ATOM 1048 CB GLN A 79 -1.806 -11.607 2.524 1.00 0.00 C ATOM 1049 CG GLN A 79 -0.499 -11.401 1.765 1.00 0.00 C ATOM 1050 CD GLN A 79 -0.712 -10.982 0.326 1.00 0.00 C ATOM 1051 OE1 GLN A 79 0.005 -11.613 -0.592 1.00 0.00 O flip ATOM 1052 NE2 GLN A 79 -1.526 -10.107 0.040 1.00 0.00 N flip ATOM 0 H GLN A 79 -0.349 -11.439 4.618 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.738 -12.982 3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.584 -11.891 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.109 -10.659 2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.095 -10.643 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.078 -12.326 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.058 -9.645 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.669 -9.843 -0.935 1.00 0.00 H new ATOM 1061 N LEU A 80 -1.348 -14.398 1.947 1.00 0.00 N ATOM 1062 CA LEU A 80 -0.693 -15.568 1.364 1.00 0.00 C ATOM 1063 C LEU A 80 0.532 -15.154 0.539 1.00 0.00 C ATOM 1064 O LEU A 80 0.802 -13.960 0.358 1.00 0.00 O ATOM 1065 CB LEU A 80 -1.683 -16.375 0.510 1.00 0.00 C ATOM 1066 CG LEU A 80 -1.971 -15.819 -0.889 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -1.220 -16.611 -1.946 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -3.464 -15.848 -1.174 1.00 0.00 C ATOM 0 H LEU A 80 -2.097 -14.004 1.377 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.349 -16.206 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.298 -17.389 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.626 -16.447 1.052 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.628 -14.785 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.438 -16.200 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.149 -16.548 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.534 -17.654 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.652 -15.450 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.825 -16.875 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.987 -15.240 -0.436 1.00 0.00 H new ATOM 1080 N GLU A 81 1.275 -16.141 0.051 1.00 0.00 N ATOM 1081 CA GLU A 81 2.480 -15.884 -0.739 1.00 0.00 C ATOM 1082 C GLU A 81 2.188 -15.932 -2.239 1.00 0.00 C ATOM 1083 O GLU A 81 2.228 -14.905 -2.919 1.00 0.00 O ATOM 1084 CB GLU A 81 3.590 -16.893 -0.383 1.00 0.00 C ATOM 1085 CG GLU A 81 3.265 -17.799 0.806 1.00 0.00 C ATOM 1086 CD GLU A 81 2.416 -19.005 0.430 1.00 0.00 C ATOM 1087 OE1 GLU A 81 1.461 -18.843 -0.365 1.00 0.00 O ATOM 1088 OE2 GLU A 81 2.698 -20.107 0.939 1.00 0.00 O ATOM 0 H GLU A 81 1.066 -17.130 0.187 1.00 0.00 H new ATOM 0 HA GLU A 81 2.823 -14.879 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.790 -17.516 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.506 -16.344 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.196 -18.145 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.741 -17.217 1.565 1.00 0.00 H new ATOM 1095 N GLU A 82 1.899 -17.130 -2.750 1.00 0.00 N ATOM 1096 CA GLU A 82 1.608 -17.306 -4.176 1.00 0.00 C ATOM 1097 C GLU A 82 0.652 -18.473 -4.425 1.00 0.00 C ATOM 1098 O GLU A 82 -0.342 -18.325 -5.139 1.00 0.00 O ATOM 1099 CB GLU A 82 2.911 -17.514 -4.957 1.00 0.00 C ATOM 1100 CG GLU A 82 2.888 -16.907 -6.354 1.00 0.00 C ATOM 1101 CD GLU A 82 4.076 -17.319 -7.204 1.00 0.00 C ATOM 1102 OE1 GLU A 82 4.441 -18.513 -7.180 1.00 0.00 O ATOM 1103 OE2 GLU A 82 4.637 -16.445 -7.903 1.00 0.00 O ATOM 0 H GLU A 82 1.860 -17.989 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 82 1.115 -16.399 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.736 -17.078 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.110 -18.583 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.968 -17.205 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.868 -15.820 -6.271 1.00 0.00 H new ATOM 1110 N SER A 83 0.958 -19.634 -3.841 1.00 0.00 N ATOM 1111 CA SER A 83 0.118 -20.821 -4.008 1.00 0.00 C ATOM 1112 C SER A 83 -1.152 -20.720 -3.162 1.00 0.00 C ATOM 1113 O SER A 83 -2.250 -20.572 -3.701 1.00 0.00 O ATOM 1114 CB SER A 83 0.898 -22.092 -3.638 1.00 0.00 C ATOM 1115 OG SER A 83 1.940 -22.354 -4.568 1.00 0.00 O ATOM 0 H SER A 83 1.778 -19.777 -3.251 1.00 0.00 H new ATOM 0 HA SER A 83 -0.172 -20.879 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.320 -21.983 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.216 -22.942 -3.605 1.00 0.00 H new ATOM 0 HG SER A 83 2.418 -23.168 -4.303 1.00 0.00 H new ATOM 1121 N ARG A 84 -0.993 -20.797 -1.837 1.00 0.00 N ATOM 1122 CA ARG A 84 -2.125 -20.710 -0.907 1.00 0.00 C ATOM 1123 C ARG A 84 -1.673 -20.972 0.533 1.00 0.00 C ATOM 1124 O ARG A 84 -1.267 -22.084 0.874 1.00 0.00 O ATOM 1125 CB ARG A 84 -3.235 -21.701 -1.294 1.00 0.00 C ATOM 1126 CG ARG A 84 -2.749 -23.129 -1.512 1.00 0.00 C ATOM 1127 CD ARG A 84 -2.865 -23.545 -2.971 1.00 0.00 C ATOM 1128 NE ARG A 84 -3.811 -24.651 -3.156 1.00 0.00 N ATOM 1129 CZ ARG A 84 -3.540 -25.927 -2.897 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -2.365 -26.279 -2.411 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -4.455 -26.850 -3.119 1.00 0.00 N ATOM 0 H ARG A 84 -0.088 -20.920 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.524 -19.697 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.994 -21.703 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.718 -21.350 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.711 -23.213 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.331 -23.810 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.186 -22.690 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.884 -23.842 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.741 -24.426 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.655 -25.570 -2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.167 -27.260 -2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.368 -26.585 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.250 -27.829 -2.921 1.00 0.00 H new ATOM 1145 N GLN A 85 -1.746 -19.940 1.371 1.00 0.00 N ATOM 1146 CA GLN A 85 -1.342 -20.056 2.775 1.00 0.00 C ATOM 1147 C GLN A 85 -2.103 -19.062 3.661 1.00 0.00 C ATOM 1148 O GLN A 85 -1.558 -18.544 4.638 1.00 0.00 O ATOM 1149 CB GLN A 85 0.167 -19.823 2.901 1.00 0.00 C ATOM 1150 CG GLN A 85 0.853 -20.768 3.878 1.00 0.00 C ATOM 1151 CD GLN A 85 0.980 -22.179 3.340 1.00 0.00 C ATOM 1152 OE1 GLN A 85 0.433 -23.121 3.907 1.00 0.00 O ATOM 1153 NE2 GLN A 85 1.700 -22.336 2.241 1.00 0.00 N ATOM 0 H GLN A 85 -2.080 -19.014 1.105 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.586 -21.062 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.626 -19.934 1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.342 -18.795 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.845 -20.383 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.290 -20.789 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.139 -21.528 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.816 -23.265 1.836 1.00 0.00 H new ATOM 1162 N ARG A 86 -3.362 -18.798 3.313 1.00 0.00 N ATOM 1163 CA ARG A 86 -4.190 -17.862 4.069 1.00 0.00 C ATOM 1164 C ARG A 86 -5.624 -17.833 3.529 1.00 0.00 C ATOM 1165 O ARG A 86 -5.873 -18.217 2.384 1.00 0.00 O ATOM 1166 CB ARG A 86 -3.569 -16.462 4.005 1.00 0.00 C ATOM 1167 CG ARG A 86 -4.039 -15.529 5.107 1.00 0.00 C ATOM 1168 CD ARG A 86 -4.878 -14.395 4.546 1.00 0.00 C ATOM 1169 NE ARG A 86 -6.011 -14.073 5.410 1.00 0.00 N ATOM 1170 CZ ARG A 86 -5.922 -13.350 6.516 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -4.752 -12.932 6.958 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -7.011 -13.059 7.198 1.00 0.00 N ATOM 0 H ARG A 86 -3.830 -19.220 2.511 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.231 -18.194 5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.484 -16.554 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.804 -16.015 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.622 -16.090 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.177 -15.121 5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.254 -13.510 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.243 -14.670 3.556 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.930 -14.428 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.901 -13.165 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.698 -12.376 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.920 -13.390 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.946 -12.502 8.050 1.00 0.00 H new ATOM 1186 N LEU A 87 -6.560 -17.371 4.357 1.00 0.00 N ATOM 1187 CA LEU A 87 -7.966 -17.289 3.960 1.00 0.00 C ATOM 1188 C LEU A 87 -8.387 -15.834 3.745 1.00 0.00 C ATOM 1189 O LEU A 87 -8.172 -14.980 4.615 1.00 0.00 O ATOM 1190 CB LEU A 87 -8.855 -17.945 5.023 1.00 0.00 C ATOM 1191 CG LEU A 87 -10.289 -18.243 4.575 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -10.325 -19.454 3.658 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -11.186 -18.467 5.782 1.00 0.00 C ATOM 0 H LEU A 87 -6.371 -17.048 5.306 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.087 -17.823 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.388 -18.878 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.891 -17.294 5.896 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.660 -17.381 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.353 -19.648 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.714 -19.261 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.934 -20.323 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.202 -18.678 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.813 -19.312 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.188 -17.573 6.405 1.00 0.00 H new ATOM 1205 N SER A 88 -8.979 -15.552 2.586 1.00 0.00 N ATOM 1206 CA SER A 88 -9.428 -14.197 2.256 1.00 0.00 C ATOM 1207 C SER A 88 -10.673 -14.228 1.364 1.00 0.00 C ATOM 1208 O SER A 88 -11.090 -15.291 0.903 1.00 0.00 O ATOM 1209 CB SER A 88 -8.300 -13.424 1.564 1.00 0.00 C ATOM 1210 OG SER A 88 -8.143 -13.845 0.218 1.00 0.00 O ATOM 0 H SER A 88 -9.160 -16.243 1.858 1.00 0.00 H new ATOM 0 HA SER A 88 -9.692 -13.691 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.517 -12.356 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.366 -13.574 2.106 1.00 0.00 H new ATOM 0 HG SER A 88 -7.419 -13.336 -0.202 1.00 0.00 H new ATOM 1216 N ARG A 89 -11.263 -13.054 1.130 1.00 0.00 N ATOM 1217 CA ARG A 89 -12.464 -12.937 0.297 1.00 0.00 C ATOM 1218 C ARG A 89 -12.842 -11.472 0.069 1.00 0.00 C ATOM 1219 O ARG A 89 -13.350 -11.158 -1.028 1.00 0.00 O ATOM 1220 CB ARG A 89 -13.638 -13.685 0.940 1.00 0.00 C ATOM 1221 CG ARG A 89 -13.918 -13.273 2.377 1.00 0.00 C ATOM 1222 CD ARG A 89 -15.383 -13.452 2.738 1.00 0.00 C ATOM 1223 NE ARG A 89 -15.821 -12.466 3.730 1.00 0.00 N ATOM 1224 CZ ARG A 89 -16.808 -12.659 4.598 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -17.488 -13.791 4.604 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -17.120 -11.711 5.459 1.00 0.00 N ATOM 0 H ARG A 89 -10.928 -12.167 1.507 1.00 0.00 H new ATOM 0 HA ARG A 89 -12.241 -13.387 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.534 -13.517 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -13.433 -14.755 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.302 -13.867 3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.633 -12.230 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.993 -13.360 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.541 -14.457 3.129 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.334 -11.570 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.257 -14.528 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -18.244 -13.928 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.604 -10.831 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.878 -11.857 6.126 1.00 0.00 H new TER 1240 ARG A 89