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= -0.0155 (180deg=-0.0155) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 0.856 (180deg=-1.14!) USER MOD Single : A 24 SER OG : rot -68:sc= 0.659 USER MOD Single : A 25 MET CE :methyl 169:sc= -1.59 (180deg=-1.93) 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 73:sc= 0.728 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.271 K(o=-0.27,f=-10!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 92:sc= 1.19 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 79 GLN : amide:sc= -6.15! C(o=-6.2!,f=-7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.545 USER MOD Single : A 85 GLN : amide:sc= -0.088 X(o=-0.088,f=-0.5) USER MOD Single : A 88 SER OG : rot 180:sc= -0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 1.949 -25.879 -3.519 1.00 0.00 N ATOM 2 CA MET A 15 0.627 -25.871 -2.824 1.00 0.00 C ATOM 3 C MET A 15 -0.033 -24.489 -2.888 1.00 0.00 C ATOM 4 O MET A 15 -1.057 -24.320 -3.545 1.00 0.00 O ATOM 5 CB MET A 15 0.835 -26.302 -1.365 1.00 0.00 C ATOM 6 CG MET A 15 1.005 -27.805 -1.190 1.00 0.00 C ATOM 7 SD MET A 15 2.644 -28.378 -1.671 1.00 0.00 S ATOM 8 CE MET A 15 2.441 -30.152 -1.518 1.00 0.00 C ATOM 0 HA MET A 15 -0.042 -26.569 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.716 -25.797 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.017 -25.970 -0.772 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.823 -28.068 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.254 -28.324 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.374 -30.649 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.177 -30.401 -0.490 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.649 -30.487 -2.187 1.00 0.00 H new ATOM 18 N MET A 16 0.563 -23.508 -2.209 1.00 0.00 N ATOM 19 CA MET A 16 0.031 -22.145 -2.197 1.00 0.00 C ATOM 20 C MET A 16 1.043 -21.158 -2.787 1.00 0.00 C ATOM 21 O MET A 16 2.158 -21.542 -3.148 1.00 0.00 O ATOM 22 CB MET A 16 -0.337 -21.737 -0.765 1.00 0.00 C ATOM 23 CG MET A 16 -1.314 -22.687 -0.087 1.00 0.00 C ATOM 24 SD MET A 16 -0.485 -24.008 0.818 1.00 0.00 S ATOM 25 CE MET A 16 -1.865 -25.091 1.176 1.00 0.00 C ATOM 0 H MET A 16 1.414 -23.632 -1.660 1.00 0.00 H new ATOM 0 HA MET A 16 -0.866 -22.121 -2.815 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.573 -21.680 -0.168 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.770 -20.737 -0.782 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.946 -22.123 0.599 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.971 -23.124 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.512 -25.958 1.734 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.605 -24.554 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.320 -25.422 0.242 1.00 0.00 H new ATOM 35 N LYS A 17 0.647 -19.888 -2.885 1.00 0.00 N ATOM 36 CA LYS A 17 1.522 -18.851 -3.434 1.00 0.00 C ATOM 37 C LYS A 17 2.657 -18.516 -2.463 1.00 0.00 C ATOM 38 O LYS A 17 3.824 -18.769 -2.760 1.00 0.00 O ATOM 39 CB LYS A 17 0.720 -17.586 -3.765 1.00 0.00 C ATOM 40 CG LYS A 17 0.472 -17.395 -5.252 1.00 0.00 C ATOM 41 CD LYS A 17 -0.972 -17.002 -5.524 1.00 0.00 C ATOM 42 CE LYS A 17 -1.262 -16.894 -7.013 1.00 0.00 C ATOM 43 NZ LYS A 17 -2.716 -16.677 -7.270 1.00 0.00 N ATOM 0 H LYS A 17 -0.271 -19.553 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 17 1.961 -19.239 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.239 -17.628 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.253 -16.717 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.140 -16.625 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.707 -18.317 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.639 -17.740 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.185 -16.047 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.689 -16.070 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.934 -17.804 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.082 -17.448 -7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.230 -16.662 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.850 -15.769 -7.759 1.00 0.00 H new ATOM 57 N LEU A 18 2.308 -17.943 -1.304 1.00 0.00 N ATOM 58 CA LEU A 18 3.300 -17.569 -0.291 1.00 0.00 C ATOM 59 C LEU A 18 4.438 -16.746 -0.912 1.00 0.00 C ATOM 60 O LEU A 18 5.619 -17.019 -0.683 1.00 0.00 O ATOM 61 CB LEU A 18 3.854 -18.831 0.382 1.00 0.00 C ATOM 62 CG LEU A 18 3.880 -18.794 1.912 1.00 0.00 C ATOM 63 CD1 LEU A 18 3.265 -20.060 2.484 1.00 0.00 C ATOM 64 CD2 LEU A 18 5.301 -18.619 2.416 1.00 0.00 C ATOM 0 H LEU A 18 1.345 -17.729 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 18 2.812 -16.948 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.256 -19.685 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.868 -19.001 0.021 1.00 0.00 H new ATOM 0 HG LEU A 18 3.289 -17.941 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.291 -20.018 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.231 -20.146 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.831 -20.926 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.300 -18.595 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.914 -19.452 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.710 -17.684 2.033 1.00 0.00 H new ATOM 76 N GLY A 19 4.069 -15.750 -1.720 1.00 0.00 N ATOM 77 CA GLY A 19 5.063 -14.918 -2.385 1.00 0.00 C ATOM 78 C GLY A 19 5.603 -15.590 -3.633 1.00 0.00 C ATOM 79 O GLY A 19 6.812 -15.609 -3.868 1.00 0.00 O ATOM 0 H GLY A 19 3.100 -15.505 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.618 -13.959 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.883 -14.710 -1.698 1.00 0.00 H new ATOM 83 N LEU A 20 4.694 -16.154 -4.427 1.00 0.00 N ATOM 84 CA LEU A 20 5.060 -16.854 -5.655 1.00 0.00 C ATOM 85 C LEU A 20 5.517 -15.888 -6.747 1.00 0.00 C ATOM 86 O LEU A 20 4.970 -14.794 -6.903 1.00 0.00 O ATOM 87 CB LEU A 20 3.877 -17.689 -6.155 1.00 0.00 C ATOM 88 CG LEU A 20 4.252 -18.943 -6.944 1.00 0.00 C ATOM 89 CD1 LEU A 20 3.608 -20.175 -6.328 1.00 0.00 C ATOM 90 CD2 LEU A 20 3.840 -18.801 -8.399 1.00 0.00 C ATOM 0 H LEU A 20 3.692 -16.139 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 20 5.899 -17.510 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.274 -17.986 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.248 -17.059 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 20 5.335 -19.062 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.887 -21.058 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.951 -20.289 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.524 -20.063 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.115 -19.703 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.761 -18.655 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.347 -17.942 -8.839 1.00 0.00 H new ATOM 102 N VAL A 21 6.520 -16.307 -7.510 1.00 0.00 N ATOM 103 CA VAL A 21 7.052 -15.491 -8.598 1.00 0.00 C ATOM 104 C VAL A 21 6.052 -15.410 -9.754 1.00 0.00 C ATOM 105 O VAL A 21 5.441 -16.414 -10.125 1.00 0.00 O ATOM 106 CB VAL A 21 8.395 -16.049 -9.122 1.00 0.00 C ATOM 107 CG1 VAL A 21 8.959 -15.163 -10.223 1.00 0.00 C ATOM 108 CG2 VAL A 21 9.401 -16.191 -7.988 1.00 0.00 C ATOM 0 H VAL A 21 6.983 -17.209 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 21 7.223 -14.493 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 21 8.206 -17.037 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.904 -15.577 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.252 -15.117 -11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.126 -14.159 -9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.338 -16.585 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.579 -15.216 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.007 -16.874 -7.235 1.00 0.00 H new ATOM 118 N ARG A 22 5.896 -14.208 -10.313 1.00 0.00 N ATOM 119 CA ARG A 22 4.976 -13.972 -11.431 1.00 0.00 C ATOM 120 C ARG A 22 3.509 -14.071 -10.991 1.00 0.00 C ATOM 121 O ARG A 22 2.843 -15.078 -11.232 1.00 0.00 O ATOM 122 CB ARG A 22 5.257 -14.950 -12.582 1.00 0.00 C ATOM 123 CG ARG A 22 6.618 -14.755 -13.233 1.00 0.00 C ATOM 124 CD ARG A 22 6.673 -13.468 -14.041 1.00 0.00 C ATOM 125 NE ARG A 22 7.915 -12.727 -13.801 1.00 0.00 N ATOM 126 CZ ARG A 22 8.073 -11.429 -14.039 1.00 0.00 C ATOM 127 NH1 ARG A 22 7.079 -10.712 -14.525 1.00 0.00 N ATOM 128 NH2 ARG A 22 9.232 -10.851 -13.792 1.00 0.00 N ATOM 0 H ARG A 22 6.399 -13.375 -10.007 1.00 0.00 H new ATOM 0 HA ARG A 22 5.148 -12.955 -11.784 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.188 -15.970 -12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.482 -14.837 -13.340 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.390 -14.736 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.836 -15.603 -13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.588 -13.701 -15.102 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.820 -12.840 -13.783 1.00 0.00 H new ATOM 0 HE ARG A 22 8.711 -13.242 -13.426 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.180 -11.153 -14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.209 -9.716 -14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.006 -11.400 -13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.354 -9.855 -13.974 1.00 0.00 H new ATOM 142 N PHE A 23 3.017 -12.996 -10.363 1.00 0.00 N ATOM 143 CA PHE A 23 1.627 -12.915 -9.895 1.00 0.00 C ATOM 144 C PHE A 23 1.392 -13.742 -8.625 1.00 0.00 C ATOM 145 O PHE A 23 1.142 -14.948 -8.685 1.00 0.00 O ATOM 146 CB PHE A 23 0.652 -13.346 -10.999 1.00 0.00 C ATOM 147 CG PHE A 23 0.782 -12.544 -12.265 1.00 0.00 C ATOM 148 CD1 PHE A 23 0.289 -11.251 -12.334 1.00 0.00 C ATOM 149 CD2 PHE A 23 1.400 -13.080 -13.382 1.00 0.00 C ATOM 150 CE1 PHE A 23 0.410 -10.509 -13.492 1.00 0.00 C ATOM 151 CE2 PHE A 23 1.523 -12.344 -14.546 1.00 0.00 C ATOM 152 CZ PHE A 23 1.027 -11.056 -14.600 1.00 0.00 C ATOM 0 H PHE A 23 3.568 -12.161 -10.165 1.00 0.00 H new ATOM 0 HA PHE A 23 1.439 -11.871 -9.645 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.817 -14.399 -11.227 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.368 -13.257 -10.626 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.196 -10.818 -11.471 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.791 -14.086 -13.344 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.023 -9.502 -13.531 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.006 -12.775 -15.411 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.121 -10.478 -15.507 1.00 0.00 H new ATOM 162 N SER A 24 1.448 -13.072 -7.475 1.00 0.00 N ATOM 163 CA SER A 24 1.223 -13.720 -6.181 1.00 0.00 C ATOM 164 C SER A 24 0.465 -12.787 -5.239 1.00 0.00 C ATOM 165 O SER A 24 0.611 -11.566 -5.314 1.00 0.00 O ATOM 166 CB SER A 24 2.552 -14.137 -5.547 1.00 0.00 C ATOM 167 OG SER A 24 2.351 -14.721 -4.267 1.00 0.00 O ATOM 0 H SER A 24 1.649 -12.074 -7.412 1.00 0.00 H new ATOM 0 HA SER A 24 0.622 -14.613 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.061 -14.848 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.202 -13.267 -5.455 1.00 0.00 H new ATOM 0 HG SER A 24 2.030 -14.038 -3.642 1.00 0.00 H new ATOM 173 N MET A 25 -0.343 -13.366 -4.356 1.00 0.00 N ATOM 174 CA MET A 25 -1.129 -12.584 -3.400 1.00 0.00 C ATOM 175 C MET A 25 -2.073 -11.617 -4.125 1.00 0.00 C ATOM 176 O MET A 25 -2.125 -10.425 -3.812 1.00 0.00 O ATOM 177 CB MET A 25 -0.198 -11.821 -2.451 1.00 0.00 C ATOM 178 CG MET A 25 0.079 -12.553 -1.150 1.00 0.00 C ATOM 179 SD MET A 25 1.091 -14.027 -1.379 1.00 0.00 S ATOM 180 CE MET A 25 2.148 -13.941 0.064 1.00 0.00 C ATOM 0 H MET A 25 -0.473 -14.375 -4.281 1.00 0.00 H new ATOM 0 HA MET A 25 -1.740 -13.271 -2.814 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.747 -11.630 -2.959 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.640 -10.851 -2.225 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.581 -11.877 -0.458 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.867 -12.836 -0.689 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.694 -14.878 0.171 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.856 -13.120 -0.052 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.539 -13.772 0.952 1.00 0.00 H new ATOM 190 N LEU A 26 -2.824 -12.149 -5.095 1.00 0.00 N ATOM 191 CA LEU A 26 -3.777 -11.351 -5.879 1.00 0.00 C ATOM 192 C LEU A 26 -4.576 -10.392 -4.991 1.00 0.00 C ATOM 193 O LEU A 26 -4.815 -9.241 -5.367 1.00 0.00 O ATOM 194 CB LEU A 26 -4.733 -12.272 -6.646 1.00 0.00 C ATOM 195 CG LEU A 26 -5.373 -11.652 -7.889 1.00 0.00 C ATOM 196 CD1 LEU A 26 -5.587 -12.707 -8.961 1.00 0.00 C ATOM 197 CD2 LEU A 26 -6.691 -10.983 -7.533 1.00 0.00 C ATOM 0 H LEU A 26 -2.791 -13.134 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.203 -10.753 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.188 -13.168 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.525 -12.592 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.696 -10.894 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.043 -12.247 -9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.628 -13.144 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.244 -13.488 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.132 -10.547 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.374 -11.723 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.514 -10.198 -6.798 1.00 0.00 H new ATOM 209 N LEU A 27 -4.978 -10.877 -3.813 1.00 0.00 N ATOM 210 CA LEU A 27 -5.743 -10.075 -2.857 1.00 0.00 C ATOM 211 C LEU A 27 -5.136 -8.684 -2.653 1.00 0.00 C ATOM 212 O LEU A 27 -5.865 -7.724 -2.400 1.00 0.00 O ATOM 213 CB LEU A 27 -5.840 -10.806 -1.516 1.00 0.00 C ATOM 214 CG LEU A 27 -7.021 -11.766 -1.397 1.00 0.00 C ATOM 215 CD1 LEU A 27 -6.571 -13.098 -0.820 1.00 0.00 C ATOM 216 CD2 LEU A 27 -8.120 -11.151 -0.545 1.00 0.00 C ATOM 0 H LEU A 27 -4.784 -11.828 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.741 -9.938 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.918 -11.364 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.909 -10.066 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.422 -11.947 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.427 -13.769 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.820 -13.542 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.144 -12.940 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.955 -11.848 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.733 -10.940 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.461 -10.224 -1.005 1.00 0.00 H new ATOM 228 N ALA A 28 -3.808 -8.574 -2.779 1.00 0.00 N ATOM 229 CA ALA A 28 -3.121 -7.287 -2.622 1.00 0.00 C ATOM 230 C ALA A 28 -3.848 -6.176 -3.386 1.00 0.00 C ATOM 231 O ALA A 28 -3.956 -5.041 -2.904 1.00 0.00 O ATOM 232 CB ALA A 28 -1.677 -7.397 -3.092 1.00 0.00 C ATOM 0 H ALA A 28 -3.190 -9.358 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.128 -7.028 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.180 -6.435 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.158 -8.151 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.657 -7.684 -4.143 1.00 0.00 H new ATOM 238 N LEU A 29 -4.363 -6.517 -4.574 1.00 0.00 N ATOM 239 CA LEU A 29 -5.099 -5.558 -5.401 1.00 0.00 C ATOM 240 C LEU A 29 -6.155 -4.826 -4.568 1.00 0.00 C ATOM 241 O LEU A 29 -6.329 -3.614 -4.703 1.00 0.00 O ATOM 242 CB LEU A 29 -5.757 -6.269 -6.589 1.00 0.00 C ATOM 243 CG LEU A 29 -5.337 -5.750 -7.966 1.00 0.00 C ATOM 244 CD1 LEU A 29 -3.846 -5.944 -8.180 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.126 -6.449 -9.061 1.00 0.00 C ATOM 0 H LEU A 29 -4.283 -7.449 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.391 -4.823 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.524 -7.332 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.839 -6.174 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.554 -4.683 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.568 -5.569 -9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.294 -5.398 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.604 -7.005 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.815 -6.068 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.940 -7.522 -9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.190 -6.259 -8.921 1.00 0.00 H new ATOM 257 N ALA A 30 -6.834 -5.567 -3.686 1.00 0.00 N ATOM 258 CA ALA A 30 -7.847 -4.991 -2.808 1.00 0.00 C ATOM 259 C ALA A 30 -7.239 -3.888 -1.943 1.00 0.00 C ATOM 260 O ALA A 30 -7.841 -2.825 -1.763 1.00 0.00 O ATOM 261 CB ALA A 30 -8.467 -6.076 -1.934 1.00 0.00 C ATOM 0 H ALA A 30 -6.696 -6.570 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.632 -4.551 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.221 -5.633 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.932 -6.831 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.691 -6.541 -1.326 1.00 0.00 H new ATOM 267 N LEU A 31 -6.024 -4.135 -1.441 1.00 0.00 N ATOM 268 CA LEU A 31 -5.317 -3.151 -0.626 1.00 0.00 C ATOM 269 C LEU A 31 -5.036 -1.903 -1.457 1.00 0.00 C ATOM 270 O LEU A 31 -5.265 -0.779 -1.006 1.00 0.00 O ATOM 271 CB LEU A 31 -4.009 -3.742 -0.083 1.00 0.00 C ATOM 272 CG LEU A 31 -4.179 -4.849 0.962 1.00 0.00 C ATOM 273 CD1 LEU A 31 -2.926 -5.703 1.047 1.00 0.00 C ATOM 274 CD2 LEU A 31 -4.508 -4.254 2.321 1.00 0.00 C ATOM 0 H LEU A 31 -5.514 -5.006 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.943 -2.878 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.433 -4.139 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.420 -2.937 0.356 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.008 -5.485 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.068 -6.483 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.731 -6.161 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.079 -5.079 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.625 -5.055 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.700 -3.593 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.436 -3.686 2.254 1.00 0.00 H new ATOM 286 N VAL A 32 -4.568 -2.114 -2.692 1.00 0.00 N ATOM 287 CA VAL A 32 -4.291 -1.006 -3.607 1.00 0.00 C ATOM 288 C VAL A 32 -5.570 -0.211 -3.883 1.00 0.00 C ATOM 289 O VAL A 32 -5.593 1.013 -3.743 1.00 0.00 O ATOM 290 CB VAL A 32 -3.699 -1.504 -4.946 1.00 0.00 C ATOM 291 CG1 VAL A 32 -3.481 -0.345 -5.908 1.00 0.00 C ATOM 292 CG2 VAL A 32 -2.396 -2.251 -4.714 1.00 0.00 C ATOM 0 H VAL A 32 -4.374 -3.038 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.555 -0.364 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.416 -2.191 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.064 -0.721 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.433 0.146 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.789 0.371 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.997 -2.592 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.676 -1.587 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.579 -3.111 -4.069 1.00 0.00 H new ATOM 302 N VAL A 33 -6.637 -0.925 -4.259 1.00 0.00 N ATOM 303 CA VAL A 33 -7.930 -0.296 -4.538 1.00 0.00 C ATOM 304 C VAL A 33 -8.417 0.498 -3.327 1.00 0.00 C ATOM 305 O VAL A 33 -8.712 1.691 -3.437 1.00 0.00 O ATOM 306 CB VAL A 33 -8.999 -1.342 -4.932 1.00 0.00 C ATOM 307 CG1 VAL A 33 -10.373 -0.697 -5.053 1.00 0.00 C ATOM 308 CG2 VAL A 33 -8.623 -2.032 -6.234 1.00 0.00 C ATOM 0 H VAL A 33 -6.629 -1.938 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.783 0.381 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.041 -2.092 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.107 -1.453 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.653 -0.254 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.345 0.079 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.389 -2.764 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.546 -1.291 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.664 -2.537 -6.115 1.00 0.00 H new ATOM 318 N LEU A 34 -8.478 -0.163 -2.165 1.00 0.00 N ATOM 319 CA LEU A 34 -8.907 0.495 -0.931 1.00 0.00 C ATOM 320 C LEU A 34 -8.074 1.755 -0.691 1.00 0.00 C ATOM 321 O LEU A 34 -8.619 2.823 -0.406 1.00 0.00 O ATOM 322 CB LEU A 34 -8.785 -0.460 0.263 1.00 0.00 C ATOM 323 CG LEU A 34 -10.112 -0.868 0.909 1.00 0.00 C ATOM 324 CD1 LEU A 34 -9.922 -2.084 1.801 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.698 0.289 1.704 1.00 0.00 C ATOM 0 H LEU A 34 -8.237 -1.148 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.954 0.779 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.266 -1.361 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.159 0.010 1.022 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.812 -1.130 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.876 -2.358 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.549 -2.917 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.204 -1.850 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.641 -0.020 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.000 0.583 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.874 1.135 1.039 1.00 0.00 H new ATOM 337 N ALA A 35 -6.751 1.623 -0.836 1.00 0.00 N ATOM 338 CA ALA A 35 -5.839 2.750 -0.661 1.00 0.00 C ATOM 339 C ALA A 35 -6.190 3.883 -1.628 1.00 0.00 C ATOM 340 O ALA A 35 -6.354 5.031 -1.214 1.00 0.00 O ATOM 341 CB ALA A 35 -4.400 2.300 -0.865 1.00 0.00 C ATOM 0 H ALA A 35 -6.291 0.744 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.945 3.126 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.731 3.150 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.154 1.527 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.283 1.901 -1.872 1.00 0.00 H new ATOM 347 N ILE A 36 -6.320 3.548 -2.914 1.00 0.00 N ATOM 348 CA ILE A 36 -6.669 4.534 -3.939 1.00 0.00 C ATOM 349 C ILE A 36 -7.989 5.228 -3.598 1.00 0.00 C ATOM 350 O ILE A 36 -8.076 6.458 -3.621 1.00 0.00 O ATOM 351 CB ILE A 36 -6.780 3.883 -5.338 1.00 0.00 C ATOM 352 CG1 ILE A 36 -5.425 3.327 -5.780 1.00 0.00 C ATOM 353 CG2 ILE A 36 -7.295 4.888 -6.361 1.00 0.00 C ATOM 354 CD1 ILE A 36 -5.520 2.338 -6.922 1.00 0.00 C ATOM 0 H ILE A 36 -6.189 2.601 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.867 5.272 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.491 3.060 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.782 4.155 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.945 2.842 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.365 4.409 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.280 5.242 -6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.608 5.732 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.522 1.986 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.136 1.491 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.970 2.824 -7.788 1.00 0.00 H new ATOM 366 N VAL A 37 -9.010 4.432 -3.270 1.00 0.00 N ATOM 367 CA VAL A 37 -10.324 4.969 -2.910 1.00 0.00 C ATOM 368 C VAL A 37 -10.216 5.900 -1.702 1.00 0.00 C ATOM 369 O VAL A 37 -10.630 7.062 -1.763 1.00 0.00 O ATOM 370 CB VAL A 37 -11.335 3.839 -2.603 1.00 0.00 C ATOM 371 CG1 VAL A 37 -12.624 4.404 -2.024 1.00 0.00 C ATOM 372 CG2 VAL A 37 -11.630 3.027 -3.855 1.00 0.00 C ATOM 0 H VAL A 37 -8.952 3.414 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.687 5.533 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.886 3.180 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.318 3.589 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.404 4.937 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.074 5.091 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.343 2.238 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.052 3.679 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.707 2.582 -4.226 1.00 0.00 H new ATOM 382 N VAL A 38 -9.647 5.386 -0.607 1.00 0.00 N ATOM 383 CA VAL A 38 -9.471 6.175 0.613 1.00 0.00 C ATOM 384 C VAL A 38 -8.700 7.463 0.316 1.00 0.00 C ATOM 385 O VAL A 38 -9.139 8.556 0.681 1.00 0.00 O ATOM 386 CB VAL A 38 -8.736 5.364 1.706 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.198 6.274 2.803 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.660 4.311 2.299 1.00 0.00 C ATOM 0 H VAL A 38 -9.301 4.429 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.463 6.431 0.984 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.888 4.865 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.687 5.674 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.497 6.989 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.025 6.812 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.127 3.750 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.529 4.797 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.988 3.630 1.513 1.00 0.00 H new ATOM 398 N GLN A 39 -7.560 7.323 -0.364 1.00 0.00 N ATOM 399 CA GLN A 39 -6.731 8.469 -0.733 1.00 0.00 C ATOM 400 C GLN A 39 -7.542 9.481 -1.542 1.00 0.00 C ATOM 401 O GLN A 39 -7.677 10.640 -1.141 1.00 0.00 O ATOM 402 CB GLN A 39 -5.512 7.995 -1.534 1.00 0.00 C ATOM 403 CG GLN A 39 -4.695 9.121 -2.157 1.00 0.00 C ATOM 404 CD GLN A 39 -3.897 8.661 -3.361 1.00 0.00 C ATOM 405 OE1 GLN A 39 -4.258 8.936 -4.502 1.00 0.00 O ATOM 406 NE2 GLN A 39 -2.803 7.952 -3.114 1.00 0.00 N ATOM 0 H GLN A 39 -7.190 6.423 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.386 8.960 0.177 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.865 7.412 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.850 7.326 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.363 9.929 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.015 9.529 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.536 7.744 -2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.229 7.615 -3.886 1.00 0.00 H new ATOM 415 N MET A 40 -8.093 9.030 -2.672 1.00 0.00 N ATOM 416 CA MET A 40 -8.907 9.890 -3.534 1.00 0.00 C ATOM 417 C MET A 40 -9.992 10.594 -2.719 1.00 0.00 C ATOM 418 O MET A 40 -10.143 11.816 -2.799 1.00 0.00 O ATOM 419 CB MET A 40 -9.540 9.065 -4.659 1.00 0.00 C ATOM 420 CG MET A 40 -10.157 9.908 -5.764 1.00 0.00 C ATOM 421 SD MET A 40 -10.611 8.931 -7.209 1.00 0.00 S ATOM 422 CE MET A 40 -9.541 9.646 -8.455 1.00 0.00 C ATOM 0 H MET A 40 -7.990 8.074 -3.011 1.00 0.00 H new ATOM 0 HA MET A 40 -8.260 10.648 -3.976 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.780 8.415 -5.092 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.309 8.419 -4.235 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.043 10.414 -5.379 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.451 10.684 -6.061 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.707 9.144 -9.408 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.764 10.708 -8.560 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.500 9.522 -8.156 1.00 0.00 H new ATOM 432 N ALA A 41 -10.731 9.816 -1.924 1.00 0.00 N ATOM 433 CA ALA A 41 -11.788 10.361 -1.076 1.00 0.00 C ATOM 434 C ALA A 41 -11.254 11.515 -0.225 1.00 0.00 C ATOM 435 O ALA A 41 -11.832 12.604 -0.213 1.00 0.00 O ATOM 436 CB ALA A 41 -12.377 9.265 -0.195 1.00 0.00 C ATOM 0 H ALA A 41 -10.615 8.805 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.580 10.751 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.164 9.685 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.795 8.479 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.594 8.846 0.437 1.00 0.00 H new ATOM 442 N VAL A 42 -10.138 11.271 0.466 1.00 0.00 N ATOM 443 CA VAL A 42 -9.509 12.295 1.301 1.00 0.00 C ATOM 444 C VAL A 42 -9.120 13.513 0.459 1.00 0.00 C ATOM 445 O VAL A 42 -9.497 14.645 0.777 1.00 0.00 O ATOM 446 CB VAL A 42 -8.257 11.745 2.024 1.00 0.00 C ATOM 447 CG1 VAL A 42 -7.512 12.857 2.747 1.00 0.00 C ATOM 448 CG2 VAL A 42 -8.642 10.645 3.002 1.00 0.00 C ATOM 0 H VAL A 42 -9.652 10.374 0.463 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.239 12.594 2.053 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.593 11.323 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.636 12.443 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.196 13.611 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.169 13.314 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.747 10.272 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.331 11.044 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.123 9.830 2.462 1.00 0.00 H new ATOM 458 N THR A 43 -8.380 13.267 -0.626 1.00 0.00 N ATOM 459 CA THR A 43 -7.952 14.338 -1.532 1.00 0.00 C ATOM 460 C THR A 43 -9.152 15.141 -2.042 1.00 0.00 C ATOM 461 O THR A 43 -9.065 16.354 -2.216 1.00 0.00 O ATOM 462 CB THR A 43 -7.178 13.758 -2.723 1.00 0.00 C ATOM 463 OG1 THR A 43 -6.252 12.774 -2.294 1.00 0.00 O ATOM 464 CG2 THR A 43 -6.405 14.798 -3.504 1.00 0.00 C ATOM 0 H THR A 43 -8.065 12.336 -0.899 1.00 0.00 H new ATOM 0 HA THR A 43 -7.299 15.006 -0.970 1.00 0.00 H new ATOM 0 HB THR A 43 -7.940 13.329 -3.373 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.735 11.961 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.882 14.318 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.095 15.546 -3.896 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.681 15.281 -2.848 1.00 0.00 H new ATOM 472 N MET A 44 -10.268 14.452 -2.285 1.00 0.00 N ATOM 473 CA MET A 44 -11.483 15.099 -2.779 1.00 0.00 C ATOM 474 C MET A 44 -12.168 15.918 -1.680 1.00 0.00 C ATOM 475 O MET A 44 -12.431 17.108 -1.863 1.00 0.00 O ATOM 476 CB MET A 44 -12.453 14.050 -3.334 1.00 0.00 C ATOM 477 CG MET A 44 -12.194 13.687 -4.788 1.00 0.00 C ATOM 478 SD MET A 44 -13.618 12.906 -5.572 1.00 0.00 S ATOM 479 CE MET A 44 -14.598 14.340 -6.004 1.00 0.00 C ATOM 0 H MET A 44 -10.355 13.445 -2.147 1.00 0.00 H new ATOM 0 HA MET A 44 -11.196 15.782 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.386 13.148 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.472 14.424 -3.238 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.928 14.587 -5.342 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.339 13.014 -4.844 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.515 14.019 -6.499 1.00 0.00 H new ATOM 0 HE2 MET A 44 -14.849 14.895 -5.100 1.00 0.00 H new ATOM 0 HE3 MET A 44 -14.028 14.981 -6.677 1.00 0.00 H new ATOM 489 N VAL A 45 -12.464 15.276 -0.546 1.00 0.00 N ATOM 490 CA VAL A 45 -13.128 15.955 0.573 1.00 0.00 C ATOM 491 C VAL A 45 -12.285 17.108 1.127 1.00 0.00 C ATOM 492 O VAL A 45 -12.823 18.151 1.498 1.00 0.00 O ATOM 493 CB VAL A 45 -13.477 14.980 1.723 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.448 13.913 1.247 1.00 0.00 C ATOM 495 CG2 VAL A 45 -12.223 14.341 2.302 1.00 0.00 C ATOM 0 H VAL A 45 -12.256 14.292 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.054 16.360 0.165 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.957 15.556 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.680 13.238 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.365 14.386 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.997 13.348 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.500 13.661 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.704 13.786 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.566 15.118 2.693 1.00 0.00 H new ATOM 505 N LEU A 46 -10.964 16.920 1.177 1.00 0.00 N ATOM 506 CA LEU A 46 -10.067 17.959 1.680 1.00 0.00 C ATOM 507 C LEU A 46 -9.898 19.074 0.646 1.00 0.00 C ATOM 508 O LEU A 46 -9.380 18.845 -0.446 1.00 0.00 O ATOM 509 CB LEU A 46 -8.702 17.360 2.042 1.00 0.00 C ATOM 510 CG LEU A 46 -8.069 17.909 3.324 1.00 0.00 C ATOM 511 CD1 LEU A 46 -7.198 16.853 3.983 1.00 0.00 C ATOM 512 CD2 LEU A 46 -7.254 19.157 3.024 1.00 0.00 C ATOM 0 H LEU A 46 -10.496 16.065 0.878 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.511 18.386 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.812 16.280 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.015 17.534 1.213 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.869 18.176 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.757 17.261 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.806 15.984 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.405 16.555 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.812 19.533 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.463 18.913 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.903 19.921 2.595 1.00 0.00 H new ATOM 524 N HIS A 47 -10.344 20.279 0.994 1.00 0.00 N ATOM 525 CA HIS A 47 -10.240 21.420 0.087 1.00 0.00 C ATOM 526 C HIS A 47 -9.661 22.648 0.793 1.00 0.00 C ATOM 527 O HIS A 47 -9.626 22.712 2.022 1.00 0.00 O ATOM 528 CB HIS A 47 -11.612 21.743 -0.515 1.00 0.00 C ATOM 529 CG HIS A 47 -11.635 21.670 -2.009 1.00 0.00 C ATOM 530 ND1 HIS A 47 -12.238 22.620 -2.801 1.00 0.00 N ATOM 531 CD2 HIS A 47 -11.114 20.750 -2.855 1.00 0.00 C ATOM 532 CE1 HIS A 47 -12.090 22.291 -4.073 1.00 0.00 C ATOM 533 NE2 HIS A 47 -11.409 21.159 -4.133 1.00 0.00 N ATOM 0 H HIS A 47 -10.779 20.490 1.892 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.555 21.149 -0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.350 21.049 -0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.912 22.743 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.568 19.860 -2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.462 22.851 -4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -11.146 20.670 -4.988 1.00 0.00 H new ATOM 542 N GLY A 48 -9.200 23.616 0.000 1.00 0.00 N ATOM 543 CA GLY A 48 -8.612 24.827 0.557 1.00 0.00 C ATOM 544 C GLY A 48 -7.114 24.694 0.758 1.00 0.00 C ATOM 545 O GLY A 48 -6.587 25.063 1.806 1.00 0.00 O ATOM 0 H GLY A 48 -9.223 23.583 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.815 25.667 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.087 25.054 1.512 1.00 0.00 H new ATOM 549 N GLN A 49 -6.434 24.157 -0.253 1.00 0.00 N ATOM 550 CA GLN A 49 -4.987 23.958 -0.200 1.00 0.00 C ATOM 551 C GLN A 49 -4.330 24.303 -1.541 1.00 0.00 C ATOM 552 O GLN A 49 -5.005 24.731 -2.480 1.00 0.00 O ATOM 553 CB GLN A 49 -4.682 22.504 0.183 1.00 0.00 C ATOM 554 CG GLN A 49 -3.908 22.361 1.487 1.00 0.00 C ATOM 555 CD GLN A 49 -2.407 22.454 1.289 1.00 0.00 C ATOM 556 OE1 GLN A 49 -1.917 23.346 0.599 1.00 0.00 O ATOM 557 NE2 GLN A 49 -1.665 21.537 1.892 1.00 0.00 N ATOM 0 H GLN A 49 -6.866 23.850 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.573 24.627 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.620 21.956 0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.111 22.039 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.228 23.138 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.151 21.403 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.109 20.812 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.650 21.556 1.792 1.00 0.00 H new ATOM 566 N VAL A 50 -3.013 24.116 -1.622 1.00 0.00 N ATOM 567 CA VAL A 50 -2.261 24.404 -2.847 1.00 0.00 C ATOM 568 C VAL A 50 -2.442 23.285 -3.889 1.00 0.00 C ATOM 569 O VAL A 50 -3.422 22.540 -3.842 1.00 0.00 O ATOM 570 CB VAL A 50 -0.755 24.612 -2.541 1.00 0.00 C ATOM 571 CG1 VAL A 50 -0.561 25.733 -1.531 1.00 0.00 C ATOM 572 CG2 VAL A 50 -0.116 23.322 -2.037 1.00 0.00 C ATOM 0 H VAL A 50 -2.442 23.766 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.660 25.329 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.260 24.895 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.503 25.862 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.970 26.660 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.077 25.481 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.940 23.496 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.617 23.001 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.214 22.546 -2.797 1.00 0.00 H new ATOM 582 N GLU A 51 -1.498 23.176 -4.832 1.00 0.00 N ATOM 583 CA GLU A 51 -1.564 22.152 -5.878 1.00 0.00 C ATOM 584 C GLU A 51 -1.601 20.744 -5.274 1.00 0.00 C ATOM 585 O GLU A 51 -0.571 20.205 -4.859 1.00 0.00 O ATOM 586 CB GLU A 51 -0.368 22.290 -6.828 1.00 0.00 C ATOM 587 CG GLU A 51 -0.701 21.954 -8.276 1.00 0.00 C ATOM 588 CD GLU A 51 -0.793 20.462 -8.527 1.00 0.00 C ATOM 589 OE1 GLU A 51 -1.872 19.885 -8.276 1.00 0.00 O ATOM 590 OE2 GLU A 51 0.211 19.874 -8.975 1.00 0.00 O ATOM 0 H GLU A 51 -0.681 23.784 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.486 22.302 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.010 23.311 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.434 21.636 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.648 22.422 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.061 22.381 -8.928 1.00 0.00 H new ATOM 597 N SER A 52 -2.806 20.165 -5.223 1.00 0.00 N ATOM 598 CA SER A 52 -3.019 18.823 -4.666 1.00 0.00 C ATOM 599 C SER A 52 -2.900 18.826 -3.141 1.00 0.00 C ATOM 600 O SER A 52 -2.148 19.612 -2.564 1.00 0.00 O ATOM 601 CB SER A 52 -2.034 17.817 -5.267 1.00 0.00 C ATOM 602 OG SER A 52 -2.451 16.485 -5.006 1.00 0.00 O ATOM 0 H SER A 52 -3.658 20.610 -5.565 1.00 0.00 H new ATOM 0 HA SER A 52 -4.033 18.520 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.957 17.975 -6.343 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.040 17.980 -4.849 1.00 0.00 H new ATOM 0 HG SER A 52 -1.809 15.858 -5.400 1.00 0.00 H new ATOM 608 N ILE A 53 -3.643 17.936 -2.484 1.00 0.00 N ATOM 609 CA ILE A 53 -3.609 17.840 -1.024 1.00 0.00 C ATOM 610 C ILE A 53 -2.336 17.131 -0.553 1.00 0.00 C ATOM 611 O ILE A 53 -2.385 16.034 0.007 1.00 0.00 O ATOM 612 CB ILE A 53 -4.855 17.107 -0.467 1.00 0.00 C ATOM 613 CG1 ILE A 53 -6.143 17.707 -1.042 1.00 0.00 C ATOM 614 CG2 ILE A 53 -4.879 17.174 1.055 1.00 0.00 C ATOM 615 CD1 ILE A 53 -6.288 19.194 -0.789 1.00 0.00 C ATOM 0 H ILE A 53 -4.273 17.274 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.613 18.859 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.795 16.062 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.170 17.526 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.999 17.189 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.761 16.654 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.982 16.700 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.911 18.216 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.223 19.548 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.294 19.381 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.452 19.724 -1.245 1.00 0.00 H new ATOM 627 N ASP A 54 -1.191 17.772 -0.802 1.00 0.00 N ATOM 628 CA ASP A 54 0.109 17.222 -0.423 1.00 0.00 C ATOM 629 C ASP A 54 1.218 18.267 -0.605 1.00 0.00 C ATOM 630 O ASP A 54 0.945 19.434 -0.904 1.00 0.00 O ATOM 631 CB ASP A 54 0.412 15.973 -1.268 1.00 0.00 C ATOM 632 CG ASP A 54 1.174 14.909 -0.502 1.00 0.00 C ATOM 633 OD1 ASP A 54 2.269 15.218 0.021 1.00 0.00 O ATOM 634 OD2 ASP A 54 0.682 13.764 -0.432 1.00 0.00 O ATOM 0 H ASP A 54 -1.141 18.678 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 54 0.075 16.943 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.525 15.551 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.990 16.266 -2.145 1.00 0.00 H new ATOM 639 N VAL A 55 2.467 17.845 -0.436 1.00 0.00 N ATOM 640 CA VAL A 55 3.608 18.744 -0.596 1.00 0.00 C ATOM 641 C VAL A 55 3.933 18.934 -2.079 1.00 0.00 C ATOM 642 O VAL A 55 3.867 17.984 -2.864 1.00 0.00 O ATOM 643 CB VAL A 55 4.856 18.212 0.147 1.00 0.00 C ATOM 644 CG1 VAL A 55 6.066 19.099 -0.112 1.00 0.00 C ATOM 645 CG2 VAL A 55 4.584 18.108 1.639 1.00 0.00 C ATOM 0 H VAL A 55 2.716 16.887 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 55 3.334 19.704 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 55 5.078 17.216 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.929 18.702 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.279 19.121 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.857 20.110 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.473 17.732 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.331 19.093 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.752 17.425 1.810 1.00 0.00 H new ATOM 655 N ILE A 56 4.279 20.166 -2.461 1.00 0.00 N ATOM 656 CA ILE A 56 4.608 20.478 -3.856 1.00 0.00 C ATOM 657 C ILE A 56 5.884 19.752 -4.299 1.00 0.00 C ATOM 658 O ILE A 56 6.938 20.365 -4.489 1.00 0.00 O ATOM 659 CB ILE A 56 4.766 22.004 -4.074 1.00 0.00 C ATOM 660 CG1 ILE A 56 3.495 22.741 -3.641 1.00 0.00 C ATOM 661 CG2 ILE A 56 5.077 22.312 -5.534 1.00 0.00 C ATOM 662 CD1 ILE A 56 2.227 22.172 -4.242 1.00 0.00 C ATOM 0 H ILE A 56 4.339 20.962 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 56 3.776 20.128 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 56 5.599 22.349 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.418 22.707 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.581 23.791 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.184 23.389 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.006 21.818 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.264 21.949 -6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.369 22.745 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.281 22.231 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.117 21.131 -3.940 1.00 0.00 H new ATOM 674 N ARG A 57 5.771 18.433 -4.446 1.00 0.00 N ATOM 675 CA ARG A 57 6.891 17.585 -4.854 1.00 0.00 C ATOM 676 C ARG A 57 6.428 16.138 -5.047 1.00 0.00 C ATOM 677 O ARG A 57 6.445 15.345 -4.108 1.00 0.00 O ATOM 678 CB ARG A 57 8.003 17.634 -3.798 1.00 0.00 C ATOM 679 CG ARG A 57 9.199 18.487 -4.192 1.00 0.00 C ATOM 680 CD ARG A 57 9.868 19.091 -2.969 1.00 0.00 C ATOM 681 NE ARG A 57 11.327 18.953 -3.018 1.00 0.00 N ATOM 682 CZ ARG A 57 12.137 19.775 -3.677 1.00 0.00 C ATOM 683 NH1 ARG A 57 11.649 20.788 -4.368 1.00 0.00 N ATOM 684 NH2 ARG A 57 13.440 19.574 -3.649 1.00 0.00 N ATOM 0 H ARG A 57 4.903 17.922 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 57 7.278 17.960 -5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.588 18.019 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.345 16.618 -3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.918 17.879 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.876 19.282 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.606 20.146 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.488 18.605 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 57 11.748 18.174 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.642 20.946 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.279 21.413 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.824 18.789 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.064 20.203 -4.154 1.00 0.00 H new ATOM 698 N SER A 58 6.012 15.796 -6.266 1.00 0.00 N ATOM 699 CA SER A 58 5.545 14.434 -6.562 1.00 0.00 C ATOM 700 C SER A 58 6.533 13.384 -6.043 1.00 0.00 C ATOM 701 O SER A 58 6.147 12.455 -5.330 1.00 0.00 O ATOM 702 CB SER A 58 5.329 14.256 -8.069 1.00 0.00 C ATOM 703 OG SER A 58 4.443 13.181 -8.332 1.00 0.00 O ATOM 0 H SER A 58 5.987 16.434 -7.061 1.00 0.00 H new ATOM 0 HA SER A 58 4.594 14.289 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.926 15.176 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.286 14.071 -8.558 1.00 0.00 H new ATOM 0 HG SER A 58 4.319 13.088 -9.300 1.00 0.00 H new ATOM 709 N ILE A 59 7.812 13.548 -6.394 1.00 0.00 N ATOM 710 CA ILE A 59 8.863 12.620 -5.954 1.00 0.00 C ATOM 711 C ILE A 59 8.856 12.436 -4.433 1.00 0.00 C ATOM 712 O ILE A 59 9.085 11.332 -3.936 1.00 0.00 O ATOM 713 CB ILE A 59 10.266 13.089 -6.413 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.326 12.052 -6.034 1.00 0.00 C ATOM 715 CG2 ILE A 59 10.612 14.446 -5.816 1.00 0.00 C ATOM 716 CD1 ILE A 59 12.509 12.022 -6.976 1.00 0.00 C ATOM 0 H ILE A 59 8.146 14.313 -6.980 1.00 0.00 H new ATOM 0 HA ILE A 59 8.644 11.660 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 59 10.250 13.192 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.681 12.260 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.865 11.065 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.602 14.751 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.876 15.183 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.606 14.377 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.219 11.264 -6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.166 11.783 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.996 12.997 -6.980 1.00 0.00 H new ATOM 728 N PHE A 60 8.575 13.520 -3.699 1.00 0.00 N ATOM 729 CA PHE A 60 8.520 13.468 -2.238 1.00 0.00 C ATOM 730 C PHE A 60 7.544 12.384 -1.777 1.00 0.00 C ATOM 731 O PHE A 60 7.788 11.705 -0.776 1.00 0.00 O ATOM 732 CB PHE A 60 8.118 14.838 -1.667 1.00 0.00 C ATOM 733 CG PHE A 60 7.578 14.791 -0.263 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.436 14.774 0.824 1.00 0.00 C ATOM 735 CD2 PHE A 60 6.212 14.764 -0.036 1.00 0.00 C ATOM 736 CE1 PHE A 60 7.941 14.732 2.113 1.00 0.00 C ATOM 737 CE2 PHE A 60 5.711 14.723 1.250 1.00 0.00 C ATOM 738 CZ PHE A 60 6.576 14.707 2.326 1.00 0.00 C ATOM 0 H PHE A 60 8.383 14.440 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 60 9.512 13.217 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.987 15.496 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.366 15.283 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.504 14.794 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.531 14.775 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.620 14.719 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.644 14.703 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.186 14.675 3.333 1.00 0.00 H new ATOM 748 N PHE A 61 6.452 12.204 -2.528 1.00 0.00 N ATOM 749 CA PHE A 61 5.457 11.181 -2.208 1.00 0.00 C ATOM 750 C PHE A 61 6.130 9.816 -2.017 1.00 0.00 C ATOM 751 O PHE A 61 5.715 9.026 -1.167 1.00 0.00 O ATOM 752 CB PHE A 61 4.395 11.107 -3.308 1.00 0.00 C ATOM 753 CG PHE A 61 3.092 10.524 -2.843 1.00 0.00 C ATOM 754 CD1 PHE A 61 2.217 11.272 -2.074 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.743 9.225 -3.176 1.00 0.00 C ATOM 756 CE1 PHE A 61 1.018 10.737 -1.646 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.545 8.684 -2.750 1.00 0.00 C ATOM 758 CZ PHE A 61 0.682 9.441 -1.984 1.00 0.00 C ATOM 0 H PHE A 61 6.237 12.754 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 61 4.968 11.456 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.217 12.109 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.779 10.507 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.475 12.286 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.415 8.629 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.344 11.332 -1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.284 7.670 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.255 9.020 -1.649 1.00 0.00 H new ATOM 768 N GLY A 62 7.189 9.564 -2.800 1.00 0.00 N ATOM 769 CA GLY A 62 7.931 8.317 -2.693 1.00 0.00 C ATOM 770 C GLY A 62 8.304 7.987 -1.260 1.00 0.00 C ATOM 771 O GLY A 62 8.359 6.817 -0.887 1.00 0.00 O ATOM 0 H GLY A 62 7.543 10.208 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.333 7.505 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.837 8.384 -3.295 1.00 0.00 H new ATOM 775 N LEU A 63 8.535 9.019 -0.443 1.00 0.00 N ATOM 776 CA LEU A 63 8.871 8.821 0.965 1.00 0.00 C ATOM 777 C LEU A 63 7.817 7.938 1.636 1.00 0.00 C ATOM 778 O LEU A 63 8.150 6.993 2.361 1.00 0.00 O ATOM 779 CB LEU A 63 8.971 10.171 1.683 1.00 0.00 C ATOM 780 CG LEU A 63 9.533 10.117 3.106 1.00 0.00 C ATOM 781 CD1 LEU A 63 11.046 10.253 3.087 1.00 0.00 C ATOM 782 CD2 LEU A 63 8.915 11.205 3.967 1.00 0.00 C ATOM 0 H LEU A 63 8.495 9.996 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 63 9.838 8.323 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.598 10.835 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.978 10.619 1.719 1.00 0.00 H new ATOM 0 HG LEU A 63 9.278 9.149 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.428 10.212 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.477 9.438 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.320 11.206 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.327 11.150 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.139 12.181 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.835 11.066 4.009 1.00 0.00 H new ATOM 794 N LEU A 64 6.542 8.234 1.357 1.00 0.00 N ATOM 795 CA LEU A 64 5.427 7.459 1.902 1.00 0.00 C ATOM 796 C LEU A 64 5.498 6.003 1.432 1.00 0.00 C ATOM 797 O LEU A 64 5.030 5.096 2.124 1.00 0.00 O ATOM 798 CB LEU A 64 4.090 8.080 1.483 1.00 0.00 C ATOM 799 CG LEU A 64 3.788 9.454 2.091 1.00 0.00 C ATOM 800 CD1 LEU A 64 3.987 10.552 1.060 1.00 0.00 C ATOM 801 CD2 LEU A 64 2.371 9.493 2.639 1.00 0.00 C ATOM 0 H LEU A 64 6.259 9.007 0.755 1.00 0.00 H new ATOM 0 HA LEU A 64 5.500 7.477 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.074 8.170 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.288 7.395 1.758 1.00 0.00 H new ATOM 0 HG LEU A 64 4.483 9.624 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.767 11.519 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.020 10.540 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.317 10.385 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.173 10.476 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.664 9.299 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.258 8.732 3.411 1.00 0.00 H new ATOM 813 N ILE A 65 6.104 5.783 0.261 1.00 0.00 N ATOM 814 CA ILE A 65 6.248 4.437 -0.284 1.00 0.00 C ATOM 815 C ILE A 65 7.107 3.560 0.629 1.00 0.00 C ATOM 816 O ILE A 65 6.982 2.340 0.604 1.00 0.00 O ATOM 817 CB ILE A 65 6.856 4.448 -1.707 1.00 0.00 C ATOM 818 CG1 ILE A 65 5.991 5.287 -2.653 1.00 0.00 C ATOM 819 CG2 ILE A 65 6.995 3.028 -2.240 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.521 5.347 -4.071 1.00 0.00 C ATOM 0 H ILE A 65 6.500 6.519 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 65 5.243 4.019 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 65 7.848 4.897 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.982 4.876 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.916 6.301 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.424 3.056 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.647 2.454 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.013 2.556 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.857 5.958 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.518 5.787 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.570 4.340 -4.484 1.00 0.00 H new ATOM 832 N THR A 66 7.968 4.174 1.450 1.00 0.00 N ATOM 833 CA THR A 66 8.811 3.403 2.369 1.00 0.00 C ATOM 834 C THR A 66 7.934 2.617 3.351 1.00 0.00 C ATOM 835 O THR A 66 7.918 1.382 3.322 1.00 0.00 O ATOM 836 CB THR A 66 9.798 4.307 3.128 1.00 0.00 C ATOM 837 OG1 THR A 66 10.066 5.494 2.403 1.00 0.00 O ATOM 838 CG2 THR A 66 11.126 3.638 3.394 1.00 0.00 C ATOM 0 H THR A 66 8.098 5.185 1.497 1.00 0.00 H new ATOM 0 HA THR A 66 9.401 2.702 1.778 1.00 0.00 H new ATOM 0 HB THR A 66 9.309 4.527 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.435 6.193 2.675 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.779 4.326 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.968 2.742 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.591 3.362 2.447 1.00 0.00 H new ATOM 846 N PRO A 67 7.158 3.314 4.215 1.00 0.00 N ATOM 847 CA PRO A 67 6.260 2.647 5.166 1.00 0.00 C ATOM 848 C PRO A 67 5.162 1.864 4.442 1.00 0.00 C ATOM 849 O PRO A 67 4.803 0.757 4.852 1.00 0.00 O ATOM 850 CB PRO A 67 5.661 3.803 5.976 1.00 0.00 C ATOM 851 CG PRO A 67 5.807 5.001 5.102 1.00 0.00 C ATOM 852 CD PRO A 67 7.067 4.785 4.313 1.00 0.00 C ATOM 0 HA PRO A 67 6.780 1.917 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.615 3.615 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.187 3.937 6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.947 5.110 4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.870 5.913 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.011 5.251 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.935 5.209 4.817 1.00 0.00 H new ATOM 860 N TRP A 68 4.648 2.442 3.348 1.00 0.00 N ATOM 861 CA TRP A 68 3.608 1.794 2.551 1.00 0.00 C ATOM 862 C TRP A 68 4.104 0.461 1.997 1.00 0.00 C ATOM 863 O TRP A 68 3.400 -0.543 2.067 1.00 0.00 O ATOM 864 CB TRP A 68 3.158 2.704 1.404 1.00 0.00 C ATOM 865 CG TRP A 68 1.697 2.585 1.098 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.054 1.501 0.574 1.00 0.00 C ATOM 867 CD2 TRP A 68 0.696 3.587 1.302 1.00 0.00 C ATOM 868 NE1 TRP A 68 -0.288 1.767 0.441 1.00 0.00 N ATOM 869 CE2 TRP A 68 -0.532 3.042 0.881 1.00 0.00 C ATOM 870 CE3 TRP A 68 0.717 4.892 1.802 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -1.723 3.758 0.945 1.00 0.00 C ATOM 872 CZ3 TRP A 68 -0.465 5.601 1.865 1.00 0.00 C ATOM 873 CH2 TRP A 68 -1.672 5.033 1.438 1.00 0.00 C ATOM 0 H TRP A 68 4.937 3.355 2.998 1.00 0.00 H new ATOM 0 HA TRP A 68 2.754 1.605 3.202 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.387 3.739 1.658 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.731 2.461 0.509 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.530 0.570 0.303 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.988 1.121 0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.643 5.338 2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.655 3.322 0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.459 6.610 2.250 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.581 5.613 1.499 1.00 0.00 H new ATOM 884 N ALA A 69 5.330 0.454 1.467 1.00 0.00 N ATOM 885 CA ALA A 69 5.925 -0.764 0.927 1.00 0.00 C ATOM 886 C ALA A 69 6.131 -1.784 2.042 1.00 0.00 C ATOM 887 O ALA A 69 5.788 -2.955 1.888 1.00 0.00 O ATOM 888 CB ALA A 69 7.246 -0.455 0.232 1.00 0.00 C ATOM 0 H ALA A 69 5.927 1.279 1.402 1.00 0.00 H new ATOM 0 HA ALA A 69 5.244 -1.186 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.673 -1.376 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.072 0.245 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.939 -0.012 0.948 1.00 0.00 H new ATOM 894 N VAL A 70 6.673 -1.325 3.172 1.00 0.00 N ATOM 895 CA VAL A 70 6.899 -2.197 4.322 1.00 0.00 C ATOM 896 C VAL A 70 5.584 -2.846 4.763 1.00 0.00 C ATOM 897 O VAL A 70 5.490 -4.072 4.882 1.00 0.00 O ATOM 898 CB VAL A 70 7.514 -1.420 5.509 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.538 -2.275 6.768 1.00 0.00 C ATOM 900 CG2 VAL A 70 8.919 -0.945 5.168 1.00 0.00 C ATOM 0 H VAL A 70 6.962 -0.357 3.313 1.00 0.00 H new ATOM 0 HA VAL A 70 7.603 -2.970 4.015 1.00 0.00 H new ATOM 0 HB VAL A 70 6.887 -0.549 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.975 -1.704 7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.521 -2.565 7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.135 -3.169 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.335 -0.400 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.550 -1.805 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.880 -0.288 4.299 1.00 0.00 H new ATOM 910 N TYR A 71 4.563 -2.014 4.984 1.00 0.00 N ATOM 911 CA TYR A 71 3.247 -2.502 5.392 1.00 0.00 C ATOM 912 C TYR A 71 2.639 -3.401 4.314 1.00 0.00 C ATOM 913 O TYR A 71 2.199 -4.512 4.605 1.00 0.00 O ATOM 914 CB TYR A 71 2.307 -1.329 5.690 1.00 0.00 C ATOM 915 CG TYR A 71 2.374 -0.845 7.119 1.00 0.00 C ATOM 916 CD1 TYR A 71 1.971 -1.660 8.170 1.00 0.00 C ATOM 917 CD2 TYR A 71 2.839 0.428 7.420 1.00 0.00 C ATOM 918 CE1 TYR A 71 2.030 -1.219 9.480 1.00 0.00 C ATOM 919 CE2 TYR A 71 2.902 0.876 8.726 1.00 0.00 C ATOM 920 CZ TYR A 71 2.496 0.049 9.751 1.00 0.00 C ATOM 921 OH TYR A 71 2.556 0.493 11.051 1.00 0.00 O ATOM 0 H TYR A 71 4.624 -1.000 4.887 1.00 0.00 H new ATOM 0 HA TYR A 71 3.374 -3.091 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.551 -0.501 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.284 -1.629 5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.606 -2.654 7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.157 1.080 6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.713 -1.865 10.285 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.268 1.869 8.942 1.00 0.00 H new ATOM 0 HH TYR A 71 2.908 1.407 11.068 1.00 0.00 H new ATOM 931 N PHE A 72 2.630 -2.919 3.069 1.00 0.00 N ATOM 932 CA PHE A 72 2.085 -3.688 1.949 1.00 0.00 C ATOM 933 C PHE A 72 2.762 -5.055 1.847 1.00 0.00 C ATOM 934 O PHE A 72 2.090 -6.078 1.718 1.00 0.00 O ATOM 935 CB PHE A 72 2.257 -2.919 0.634 1.00 0.00 C ATOM 936 CG PHE A 72 1.339 -3.385 -0.462 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.013 -2.985 -0.490 1.00 0.00 C ATOM 938 CD2 PHE A 72 1.803 -4.221 -1.464 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.833 -3.409 -1.496 1.00 0.00 C ATOM 940 CE2 PHE A 72 0.961 -4.648 -2.474 1.00 0.00 C ATOM 941 CZ PHE A 72 -0.359 -4.241 -2.490 1.00 0.00 C ATOM 0 H PHE A 72 2.993 -2.001 2.812 1.00 0.00 H new ATOM 0 HA PHE A 72 1.021 -3.840 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.081 -1.859 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.289 -3.017 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.364 -2.333 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.834 -4.543 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.865 -3.090 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.335 -5.299 -3.250 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.018 -4.573 -3.278 1.00 0.00 H new ATOM 951 N LEU A 73 4.095 -5.066 1.921 1.00 0.00 N ATOM 952 CA LEU A 73 4.863 -6.308 1.852 1.00 0.00 C ATOM 953 C LEU A 73 4.456 -7.251 2.982 1.00 0.00 C ATOM 954 O LEU A 73 4.149 -8.419 2.744 1.00 0.00 O ATOM 955 CB LEU A 73 6.367 -6.016 1.923 1.00 0.00 C ATOM 956 CG LEU A 73 7.245 -6.908 1.045 1.00 0.00 C ATOM 957 CD1 LEU A 73 8.560 -6.216 0.726 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.501 -8.242 1.728 1.00 0.00 C ATOM 0 H LEU A 73 4.664 -4.227 2.029 1.00 0.00 H new ATOM 0 HA LEU A 73 4.647 -6.791 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.533 -4.977 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.692 -6.119 2.958 1.00 0.00 H new ATOM 0 HG LEU A 73 6.717 -7.093 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.171 -6.867 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.362 -5.284 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.092 -6.000 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.128 -8.864 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.007 -8.073 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.552 -8.747 1.907 1.00 0.00 H new ATOM 970 N SER A 74 4.439 -6.727 4.211 1.00 0.00 N ATOM 971 CA SER A 74 4.052 -7.515 5.383 1.00 0.00 C ATOM 972 C SER A 74 2.633 -8.061 5.218 1.00 0.00 C ATOM 973 O SER A 74 2.411 -9.274 5.289 1.00 0.00 O ATOM 974 CB SER A 74 4.148 -6.660 6.653 1.00 0.00 C ATOM 975 OG SER A 74 3.446 -7.257 7.732 1.00 0.00 O ATOM 0 H SER A 74 4.689 -5.760 4.419 1.00 0.00 H new ATOM 0 HA SER A 74 4.738 -8.357 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.195 -6.528 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.742 -5.668 6.457 1.00 0.00 H new ATOM 0 HG SER A 74 3.526 -6.691 8.528 1.00 0.00 H new ATOM 981 N VAL A 75 1.678 -7.160 4.976 1.00 0.00 N ATOM 982 CA VAL A 75 0.283 -7.550 4.779 1.00 0.00 C ATOM 983 C VAL A 75 0.171 -8.598 3.672 1.00 0.00 C ATOM 984 O VAL A 75 -0.442 -9.645 3.865 1.00 0.00 O ATOM 985 CB VAL A 75 -0.608 -6.335 4.433 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.015 -6.783 4.061 1.00 0.00 C ATOM 987 CG2 VAL A 75 -0.659 -5.358 5.597 1.00 0.00 C ATOM 0 H VAL A 75 1.847 -6.156 4.912 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.069 -7.974 5.719 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.168 -5.830 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.623 -5.911 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.970 -7.443 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.461 -7.317 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.291 -4.510 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.070 -5.858 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.348 -5.004 5.820 1.00 0.00 H new ATOM 997 N VAL A 76 0.785 -8.318 2.518 1.00 0.00 N ATOM 998 CA VAL A 76 0.768 -9.249 1.389 1.00 0.00 C ATOM 999 C VAL A 76 1.328 -10.608 1.809 1.00 0.00 C ATOM 1000 O VAL A 76 0.670 -11.637 1.631 1.00 0.00 O ATOM 1001 CB VAL A 76 1.572 -8.692 0.186 1.00 0.00 C ATOM 1002 CG1 VAL A 76 2.002 -9.801 -0.764 1.00 0.00 C ATOM 1003 CG2 VAL A 76 0.754 -7.648 -0.560 1.00 0.00 C ATOM 0 H VAL A 76 1.299 -7.455 2.343 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.269 -9.372 1.076 1.00 0.00 H new ATOM 0 HB VAL A 76 2.474 -8.224 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.563 -9.372 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.632 -10.513 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.120 -10.313 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.332 -7.266 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.166 -8.102 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.510 -6.827 0.114 1.00 0.00 H new ATOM 1013 N VAL A 77 2.534 -10.603 2.389 1.00 0.00 N ATOM 1014 CA VAL A 77 3.173 -11.837 2.857 1.00 0.00 C ATOM 1015 C VAL A 77 2.192 -12.671 3.684 1.00 0.00 C ATOM 1016 O VAL A 77 2.075 -13.879 3.485 1.00 0.00 O ATOM 1017 CB VAL A 77 4.435 -11.530 3.700 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.808 -12.710 4.589 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.602 -11.162 2.797 1.00 0.00 C ATOM 0 H VAL A 77 3.086 -9.759 2.545 1.00 0.00 H new ATOM 0 HA VAL A 77 3.474 -12.406 1.977 1.00 0.00 H new ATOM 0 HB VAL A 77 4.206 -10.681 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.698 -12.463 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.983 -12.930 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.010 -13.583 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.480 -10.949 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.819 -11.993 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.345 -10.280 2.211 1.00 0.00 H new ATOM 1029 N GLU A 78 1.488 -12.008 4.601 1.00 0.00 N ATOM 1030 CA GLU A 78 0.505 -12.676 5.454 1.00 0.00 C ATOM 1031 C GLU A 78 -0.800 -12.942 4.695 1.00 0.00 C ATOM 1032 O GLU A 78 -1.428 -13.987 4.870 1.00 0.00 O ATOM 1033 CB GLU A 78 0.226 -11.822 6.694 1.00 0.00 C ATOM 1034 CG GLU A 78 -0.927 -12.331 7.546 1.00 0.00 C ATOM 1035 CD GLU A 78 -1.198 -11.451 8.747 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -1.940 -10.457 8.600 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -0.664 -11.754 9.833 1.00 0.00 O ATOM 0 H GLU A 78 1.580 -11.007 4.773 1.00 0.00 H new ATOM 0 HA GLU A 78 0.918 -13.637 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.127 -11.782 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.009 -10.801 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.827 -12.391 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.704 -13.343 7.885 1.00 0.00 H new ATOM 1044 N GLN A 79 -1.212 -11.982 3.866 1.00 0.00 N ATOM 1045 CA GLN A 79 -2.448 -12.098 3.090 1.00 0.00 C ATOM 1046 C GLN A 79 -2.488 -13.391 2.272 1.00 0.00 C ATOM 1047 O GLN A 79 -3.527 -14.055 2.210 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.620 -10.882 2.165 1.00 0.00 C ATOM 1049 CG GLN A 79 -3.791 -9.988 2.553 1.00 0.00 C ATOM 1050 CD GLN A 79 -5.106 -10.394 1.903 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -5.835 -9.555 1.383 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -5.424 -11.682 1.931 1.00 0.00 N ATOM 0 H GLN A 79 -0.705 -11.110 3.714 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.275 -12.128 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.703 -10.293 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.762 -11.230 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.909 -10.007 3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.560 -8.959 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.795 -12.353 2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.298 -12.001 1.512 1.00 0.00 H new ATOM 1061 N LEU A 80 -1.359 -13.738 1.641 1.00 0.00 N ATOM 1062 CA LEU A 80 -1.263 -14.948 0.817 1.00 0.00 C ATOM 1063 C LEU A 80 -2.422 -15.022 -0.190 1.00 0.00 C ATOM 1064 O LEU A 80 -2.364 -14.400 -1.248 1.00 0.00 O ATOM 1065 CB LEU A 80 -1.217 -16.200 1.713 1.00 0.00 C ATOM 1066 CG LEU A 80 0.181 -16.776 1.957 1.00 0.00 C ATOM 1067 CD1 LEU A 80 0.480 -16.844 3.446 1.00 0.00 C ATOM 1068 CD2 LEU A 80 0.303 -18.155 1.329 1.00 0.00 C ATOM 0 H LEU A 80 -0.497 -13.195 1.686 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.337 -14.906 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.665 -15.955 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.838 -16.974 1.261 1.00 0.00 H new ATOM 0 HG LEU A 80 0.911 -16.115 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.478 -17.256 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.432 -15.842 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.255 -17.483 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.302 -18.551 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.438 -18.822 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.132 -18.082 0.255 1.00 0.00 H new ATOM 1080 N GLU A 81 -3.479 -15.757 0.157 1.00 0.00 N ATOM 1081 CA GLU A 81 -4.661 -15.891 -0.699 1.00 0.00 C ATOM 1082 C GLU A 81 -5.784 -16.619 0.052 1.00 0.00 C ATOM 1083 O GLU A 81 -6.484 -17.463 -0.509 1.00 0.00 O ATOM 1084 CB GLU A 81 -4.315 -16.625 -2.008 1.00 0.00 C ATOM 1085 CG GLU A 81 -3.997 -15.683 -3.170 1.00 0.00 C ATOM 1086 CD GLU A 81 -4.580 -16.130 -4.498 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -3.957 -16.987 -5.169 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -5.643 -15.602 -4.887 1.00 0.00 O ATOM 0 H GLU A 81 -3.541 -16.274 1.034 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.009 -14.891 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.459 -17.277 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.151 -17.265 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.376 -14.689 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.915 -15.596 -3.270 1.00 0.00 H new ATOM 1095 N GLU A 82 -5.949 -16.282 1.337 1.00 0.00 N ATOM 1096 CA GLU A 82 -6.981 -16.904 2.170 1.00 0.00 C ATOM 1097 C GLU A 82 -8.324 -16.182 2.026 1.00 0.00 C ATOM 1098 O GLU A 82 -8.838 -15.593 2.981 1.00 0.00 O ATOM 1099 CB GLU A 82 -6.536 -16.923 3.639 1.00 0.00 C ATOM 1100 CG GLU A 82 -6.780 -18.258 4.331 1.00 0.00 C ATOM 1101 CD GLU A 82 -5.851 -19.350 3.843 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -6.103 -19.899 2.750 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -4.875 -19.659 4.555 1.00 0.00 O ATOM 0 H GLU A 82 -5.382 -15.584 1.820 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.117 -17.930 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.474 -16.684 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.066 -16.140 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.653 -18.133 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.813 -18.565 4.165 1.00 0.00 H new ATOM 1110 N SER A 83 -8.891 -16.229 0.820 1.00 0.00 N ATOM 1111 CA SER A 83 -10.174 -15.577 0.547 1.00 0.00 C ATOM 1112 C SER A 83 -10.099 -14.079 0.867 1.00 0.00 C ATOM 1113 O SER A 83 -9.022 -13.487 0.825 1.00 0.00 O ATOM 1114 CB SER A 83 -11.285 -16.244 1.362 1.00 0.00 C ATOM 1115 OG SER A 83 -12.560 -15.759 0.972 1.00 0.00 O ATOM 0 H SER A 83 -8.484 -16.710 0.018 1.00 0.00 H new ATOM 0 HA SER A 83 -10.402 -15.687 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.245 -17.324 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.128 -16.053 2.423 1.00 0.00 H new ATOM 0 HG SER A 83 -13.255 -16.200 1.504 1.00 0.00 H new ATOM 1121 N ARG A 84 -11.233 -13.464 1.187 1.00 0.00 N ATOM 1122 CA ARG A 84 -11.250 -12.039 1.508 1.00 0.00 C ATOM 1123 C ARG A 84 -10.891 -11.805 2.975 1.00 0.00 C ATOM 1124 O ARG A 84 -11.636 -12.197 3.876 1.00 0.00 O ATOM 1125 CB ARG A 84 -12.620 -11.431 1.190 1.00 0.00 C ATOM 1126 CG ARG A 84 -12.603 -10.515 -0.024 1.00 0.00 C ATOM 1127 CD ARG A 84 -13.335 -9.211 0.246 1.00 0.00 C ATOM 1128 NE ARG A 84 -14.216 -8.843 -0.865 1.00 0.00 N ATOM 1129 CZ ARG A 84 -15.385 -9.419 -1.120 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -15.817 -10.416 -0.370 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -16.115 -9.001 -2.134 1.00 0.00 N ATOM 0 H ARG A 84 -12.143 -13.922 1.231 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.499 -11.546 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.336 -12.235 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.971 -10.869 2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.572 -10.302 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -13.065 -11.023 -0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.922 -9.306 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.610 -8.415 0.414 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.911 -8.093 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.252 -10.749 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -16.716 -10.854 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.782 -8.236 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -17.013 -9.442 -2.332 1.00 0.00 H new ATOM 1145 N GLN A 85 -9.741 -11.163 3.207 1.00 0.00 N ATOM 1146 CA GLN A 85 -9.270 -10.869 4.564 1.00 0.00 C ATOM 1147 C GLN A 85 -10.412 -10.378 5.460 1.00 0.00 C ATOM 1148 O GLN A 85 -10.959 -9.294 5.251 1.00 0.00 O ATOM 1149 CB GLN A 85 -8.145 -9.829 4.519 1.00 0.00 C ATOM 1150 CG GLN A 85 -6.753 -10.433 4.655 1.00 0.00 C ATOM 1151 CD GLN A 85 -6.487 -10.982 6.043 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -6.709 -10.304 7.041 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -6.016 -12.218 6.113 1.00 0.00 N ATOM 0 H GLN A 85 -9.117 -10.836 2.469 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.885 -11.794 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.205 -9.282 3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.298 -9.105 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.635 -11.233 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.007 -9.674 4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.845 -12.748 5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.824 -12.640 7.022 1.00 0.00 H new ATOM 1162 N ARG A 86 -10.777 -11.199 6.445 1.00 0.00 N ATOM 1163 CA ARG A 86 -11.869 -10.870 7.365 1.00 0.00 C ATOM 1164 C ARG A 86 -11.463 -9.823 8.412 1.00 0.00 C ATOM 1165 O ARG A 86 -12.324 -9.163 8.995 1.00 0.00 O ATOM 1166 CB ARG A 86 -12.362 -12.139 8.063 1.00 0.00 C ATOM 1167 CG ARG A 86 -13.568 -12.774 7.391 1.00 0.00 C ATOM 1168 CD ARG A 86 -14.175 -13.867 8.256 1.00 0.00 C ATOM 1169 NE ARG A 86 -14.877 -13.317 9.421 1.00 0.00 N ATOM 1170 CZ ARG A 86 -16.103 -12.804 9.385 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -16.766 -12.728 8.248 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -16.659 -12.353 10.495 1.00 0.00 N ATOM 0 H ARG A 86 -10.332 -12.099 6.627 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.672 -10.436 6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.550 -12.865 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.616 -11.900 9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.318 -12.009 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.272 -13.192 6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.870 -14.458 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.388 -14.543 8.592 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.392 -13.329 10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.339 -13.065 7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.706 -12.333 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.148 -12.399 11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.599 -11.959 10.471 1.00 0.00 H new ATOM 1186 N LEU A 87 -10.162 -9.679 8.654 1.00 0.00 N ATOM 1187 CA LEU A 87 -9.671 -8.712 9.637 1.00 0.00 C ATOM 1188 C LEU A 87 -8.247 -8.258 9.304 1.00 0.00 C ATOM 1189 O LEU A 87 -7.278 -8.704 9.920 1.00 0.00 O ATOM 1190 CB LEU A 87 -9.726 -9.314 11.050 1.00 0.00 C ATOM 1191 CG LEU A 87 -9.299 -10.780 11.155 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -8.194 -10.942 12.185 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -10.489 -11.657 11.513 1.00 0.00 C ATOM 0 H LEU A 87 -9.431 -10.216 8.187 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.319 -7.836 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.089 -8.720 11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.745 -9.222 11.427 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.915 -11.095 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.904 -11.991 12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.332 -10.343 11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.552 -10.608 13.159 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.167 -12.696 11.583 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.900 -11.339 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.254 -11.566 10.741 1.00 0.00 H new ATOM 1205 N SER A 88 -8.133 -7.360 8.326 1.00 0.00 N ATOM 1206 CA SER A 88 -6.831 -6.833 7.901 1.00 0.00 C ATOM 1207 C SER A 88 -6.096 -6.153 9.055 1.00 0.00 C ATOM 1208 O SER A 88 -4.904 -6.387 9.257 1.00 0.00 O ATOM 1209 CB SER A 88 -7.009 -5.837 6.750 1.00 0.00 C ATOM 1210 OG SER A 88 -7.647 -4.645 7.192 1.00 0.00 O ATOM 0 H SER A 88 -8.927 -6.980 7.810 1.00 0.00 H new ATOM 0 HA SER A 88 -6.231 -7.678 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.036 -5.594 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.600 -6.296 5.957 1.00 0.00 H new ATOM 0 HG SER A 88 -7.746 -4.028 6.437 1.00 0.00 H new ATOM 1216 N ARG A 89 -6.815 -5.304 9.794 1.00 0.00 N ATOM 1217 CA ARG A 89 -6.240 -4.566 10.920 1.00 0.00 C ATOM 1218 C ARG A 89 -5.270 -3.482 10.421 1.00 0.00 C ATOM 1219 O ARG A 89 -5.584 -2.840 9.393 1.00 0.00 O ATOM 1220 CB ARG A 89 -5.544 -5.535 11.891 1.00 0.00 C ATOM 1221 CG ARG A 89 -6.233 -5.644 13.244 1.00 0.00 C ATOM 1222 CD ARG A 89 -7.197 -6.820 13.286 1.00 0.00 C ATOM 1223 NE ARG A 89 -8.533 -6.419 13.743 1.00 0.00 N ATOM 1224 CZ ARG A 89 -8.819 -6.035 14.983 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -7.877 -5.987 15.906 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -10.055 -5.698 15.296 1.00 0.00 N ATOM 0 H ARG A 89 -7.803 -5.110 9.630 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.045 -4.066 11.459 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.500 -6.524 11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.515 -5.208 12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.483 -5.759 14.027 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.774 -4.721 13.453 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.271 -7.264 12.293 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.802 -7.589 13.950 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.293 -6.436 13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.919 -6.246 15.671 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.107 -5.691 16.855 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.788 -5.733 14.588 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.278 -5.403 16.247 1.00 0.00 H new TER 1240 ARG A 89