USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=10 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 165:sc= -1.56 (180deg=-2.34!) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.0573 X(o=-1.6,f=-1.9) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 147:sc= 1.41 USER MOD Single : A 39 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.39!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 71:sc= 0.439 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-1.4) USER MOD Single : A 49 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.256 USER MOD Single : A 66 THR OG1 : rot 104:sc= 1.09 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 90:sc= 1.28 USER MOD Single : A 83 SER OG : rot 138:sc= 1.19 USER MOD Single : A 85 GLN : amide:sc= 0.125 K(o=0.13,f=-8.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 13.627 -19.897 -1.864 1.00 0.00 N ATOM 2 CA MET A 15 12.403 -19.424 -2.573 1.00 0.00 C ATOM 3 C MET A 15 11.138 -19.770 -1.785 1.00 0.00 C ATOM 4 O MET A 15 11.129 -20.727 -1.011 1.00 0.00 O ATOM 5 CB MET A 15 12.353 -20.072 -3.964 1.00 0.00 C ATOM 6 CG MET A 15 12.827 -19.156 -5.081 1.00 0.00 C ATOM 7 SD MET A 15 14.532 -18.615 -4.857 1.00 0.00 S ATOM 8 CE MET A 15 15.406 -19.830 -5.841 1.00 0.00 C ATOM 0 HA MET A 15 12.447 -18.339 -2.668 1.00 0.00 H new ATOM 0 HB2 MET A 15 12.968 -20.972 -3.958 1.00 0.00 H new ATOM 0 HB3 MET A 15 11.330 -20.386 -4.173 1.00 0.00 H new ATOM 0 HG2 MET A 15 12.737 -19.676 -6.035 1.00 0.00 H new ATOM 0 HG3 MET A 15 12.176 -18.283 -5.131 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.476 -19.628 -5.802 1.00 0.00 H new ATOM 0 HE2 MET A 15 15.210 -20.827 -5.446 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.064 -19.775 -6.875 1.00 0.00 H new ATOM 18 N MET A 16 10.078 -18.985 -1.984 1.00 0.00 N ATOM 19 CA MET A 16 8.813 -19.213 -1.280 1.00 0.00 C ATOM 20 C MET A 16 7.605 -18.982 -2.195 1.00 0.00 C ATOM 21 O MET A 16 6.726 -19.838 -2.291 1.00 0.00 O ATOM 22 CB MET A 16 8.723 -18.304 -0.051 1.00 0.00 C ATOM 23 CG MET A 16 9.704 -18.671 1.053 1.00 0.00 C ATOM 24 SD MET A 16 11.287 -17.827 0.883 1.00 0.00 S ATOM 25 CE MET A 16 11.978 -18.074 2.517 1.00 0.00 C ATOM 0 H MET A 16 10.069 -18.190 -2.623 1.00 0.00 H new ATOM 0 HA MET A 16 8.794 -20.255 -0.962 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.903 -17.274 -0.358 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.709 -18.345 0.347 1.00 0.00 H new ATOM 0 HG2 MET A 16 9.266 -18.423 2.020 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.868 -19.749 1.044 1.00 0.00 H new ATOM 0 HE1 MET A 16 12.961 -17.607 2.571 1.00 0.00 H new ATOM 0 HE2 MET A 16 11.321 -17.624 3.262 1.00 0.00 H new ATOM 0 HE3 MET A 16 12.072 -19.142 2.715 1.00 0.00 H new ATOM 35 N LYS A 17 7.567 -17.818 -2.857 1.00 0.00 N ATOM 36 CA LYS A 17 6.462 -17.463 -3.761 1.00 0.00 C ATOM 37 C LYS A 17 5.204 -17.084 -2.964 1.00 0.00 C ATOM 38 O LYS A 17 5.280 -16.828 -1.758 1.00 0.00 O ATOM 39 CB LYS A 17 6.163 -18.620 -4.733 1.00 0.00 C ATOM 40 CG LYS A 17 7.392 -19.157 -5.457 1.00 0.00 C ATOM 41 CD LYS A 17 7.558 -20.660 -5.253 1.00 0.00 C ATOM 42 CE LYS A 17 6.631 -21.460 -6.155 1.00 0.00 C ATOM 43 NZ LYS A 17 7.251 -22.749 -6.587 1.00 0.00 N ATOM 0 H LYS A 17 8.291 -17.103 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 17 6.767 -16.595 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.696 -19.434 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.438 -18.281 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.309 -18.942 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.281 -18.641 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.592 -20.942 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.356 -20.910 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.699 -21.664 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.378 -20.866 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.588 -23.265 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.128 -22.554 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.470 -23.327 -5.750 1.00 0.00 H new ATOM 57 N LEU A 18 4.050 -17.035 -3.644 1.00 0.00 N ATOM 58 CA LEU A 18 2.773 -16.684 -3.009 1.00 0.00 C ATOM 59 C LEU A 18 2.714 -15.198 -2.646 1.00 0.00 C ATOM 60 O LEU A 18 1.893 -14.455 -3.195 1.00 0.00 O ATOM 61 CB LEU A 18 2.526 -17.543 -1.760 1.00 0.00 C ATOM 62 CG LEU A 18 1.899 -18.914 -2.021 1.00 0.00 C ATOM 63 CD1 LEU A 18 2.972 -19.942 -2.346 1.00 0.00 C ATOM 64 CD2 LEU A 18 1.087 -19.360 -0.817 1.00 0.00 C ATOM 0 H LEU A 18 3.976 -17.236 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 18 1.986 -16.887 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.476 -17.689 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.878 -16.989 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 18 1.233 -18.830 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.505 -20.910 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.518 -19.629 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.663 -20.025 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.647 -20.337 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.737 -19.426 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.294 -18.637 -0.625 1.00 0.00 H new ATOM 76 N GLY A 19 3.586 -14.778 -1.726 1.00 0.00 N ATOM 77 CA GLY A 19 3.624 -13.387 -1.294 1.00 0.00 C ATOM 78 C GLY A 19 3.919 -12.412 -2.420 1.00 0.00 C ATOM 79 O GLY A 19 5.081 -12.153 -2.733 1.00 0.00 O ATOM 0 H GLY A 19 4.270 -15.381 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.666 -13.129 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.383 -13.276 -0.519 1.00 0.00 H new ATOM 83 N LEU A 20 2.854 -11.863 -3.014 1.00 0.00 N ATOM 84 CA LEU A 20 2.963 -10.889 -4.108 1.00 0.00 C ATOM 85 C LEU A 20 3.874 -11.379 -5.242 1.00 0.00 C ATOM 86 O LEU A 20 5.053 -11.022 -5.311 1.00 0.00 O ATOM 87 CB LEU A 20 3.466 -9.544 -3.564 1.00 0.00 C ATOM 88 CG LEU A 20 2.452 -8.395 -3.617 1.00 0.00 C ATOM 89 CD1 LEU A 20 2.123 -8.035 -5.056 1.00 0.00 C ATOM 90 CD2 LEU A 20 1.186 -8.762 -2.858 1.00 0.00 C ATOM 0 H LEU A 20 1.893 -12.080 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 20 1.967 -10.764 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.778 -9.683 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.352 -9.251 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 20 2.900 -7.524 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.402 -7.218 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.033 -7.726 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.698 -8.903 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.479 -7.934 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.738 -9.649 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.433 -8.967 -1.816 1.00 0.00 H new ATOM 102 N VAL A 21 3.315 -12.188 -6.144 1.00 0.00 N ATOM 103 CA VAL A 21 4.075 -12.713 -7.282 1.00 0.00 C ATOM 104 C VAL A 21 3.437 -12.302 -8.617 1.00 0.00 C ATOM 105 O VAL A 21 3.951 -11.426 -9.312 1.00 0.00 O ATOM 106 CB VAL A 21 4.203 -14.254 -7.212 1.00 0.00 C ATOM 107 CG1 VAL A 21 4.735 -14.820 -8.523 1.00 0.00 C ATOM 108 CG2 VAL A 21 5.107 -14.659 -6.056 1.00 0.00 C ATOM 0 H VAL A 21 2.342 -12.493 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 21 5.073 -12.279 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 21 3.209 -14.668 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.815 -15.904 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.053 -14.563 -9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.718 -14.398 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.187 -15.745 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.097 -14.227 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.685 -14.295 -5.119 1.00 0.00 H new ATOM 118 N ARG A 22 2.319 -12.942 -8.967 1.00 0.00 N ATOM 119 CA ARG A 22 1.608 -12.644 -10.218 1.00 0.00 C ATOM 120 C ARG A 22 0.297 -13.425 -10.302 1.00 0.00 C ATOM 121 O ARG A 22 -0.764 -12.846 -10.533 1.00 0.00 O ATOM 122 CB ARG A 22 2.488 -12.966 -11.431 1.00 0.00 C ATOM 123 CG ARG A 22 2.347 -11.964 -12.568 1.00 0.00 C ATOM 124 CD ARG A 22 0.966 -12.025 -13.203 1.00 0.00 C ATOM 125 NE ARG A 22 0.766 -10.950 -14.180 1.00 0.00 N ATOM 126 CZ ARG A 22 -0.258 -10.885 -15.026 1.00 0.00 C ATOM 127 NH1 ARG A 22 -1.194 -11.814 -15.016 1.00 0.00 N ATOM 128 NH2 ARG A 22 -0.345 -9.880 -15.878 1.00 0.00 N ATOM 0 H ARG A 22 1.884 -13.672 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 22 1.377 -11.579 -10.224 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.531 -13.000 -11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.235 -13.960 -11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.530 -10.958 -12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.105 -12.164 -13.325 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.834 -12.990 -13.693 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.205 -11.955 -12.425 1.00 0.00 H new ATOM 0 HE ARG A 22 1.459 -10.202 -14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.136 -12.590 -14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.976 -11.757 -15.668 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.373 -9.155 -15.887 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.130 -9.829 -16.528 1.00 0.00 H new ATOM 142 N PHE A 23 0.379 -14.739 -10.103 1.00 0.00 N ATOM 143 CA PHE A 23 -0.802 -15.601 -10.141 1.00 0.00 C ATOM 144 C PHE A 23 -1.062 -16.221 -8.764 1.00 0.00 C ATOM 145 O PHE A 23 -1.478 -17.375 -8.656 1.00 0.00 O ATOM 146 CB PHE A 23 -0.623 -16.692 -11.202 1.00 0.00 C ATOM 147 CG PHE A 23 -0.598 -16.162 -12.610 1.00 0.00 C ATOM 148 CD1 PHE A 23 -1.777 -15.858 -13.270 1.00 0.00 C ATOM 149 CD2 PHE A 23 0.604 -15.968 -13.270 1.00 0.00 C ATOM 150 CE1 PHE A 23 -1.758 -15.371 -14.563 1.00 0.00 C ATOM 151 CE2 PHE A 23 0.631 -15.480 -14.564 1.00 0.00 C ATOM 152 CZ PHE A 23 -0.552 -15.181 -15.210 1.00 0.00 C ATOM 0 H PHE A 23 1.252 -15.231 -9.913 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.668 -14.996 -10.408 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.306 -17.228 -11.007 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.433 -17.415 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.722 -16.003 -12.768 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.532 -16.201 -12.768 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.685 -15.139 -15.067 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.575 -15.333 -15.068 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.535 -14.799 -16.220 1.00 0.00 H new ATOM 162 N SER A 24 -0.808 -15.438 -7.713 1.00 0.00 N ATOM 163 CA SER A 24 -1.004 -15.892 -6.339 1.00 0.00 C ATOM 164 C SER A 24 -1.880 -14.912 -5.556 1.00 0.00 C ATOM 165 O SER A 24 -3.091 -15.104 -5.438 1.00 0.00 O ATOM 166 CB SER A 24 0.353 -16.063 -5.639 1.00 0.00 C ATOM 167 OG SER A 24 1.036 -14.815 -5.525 1.00 0.00 O ATOM 0 H SER A 24 -0.464 -14.481 -7.791 1.00 0.00 H new ATOM 0 HA SER A 24 -1.514 -16.855 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.202 -16.490 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.968 -16.767 -6.199 1.00 0.00 H new ATOM 0 HG SER A 24 1.557 -14.802 -4.695 1.00 0.00 H new ATOM 173 N MET A 25 -1.261 -13.858 -5.028 1.00 0.00 N ATOM 174 CA MET A 25 -1.972 -12.844 -4.257 1.00 0.00 C ATOM 175 C MET A 25 -2.613 -11.798 -5.174 1.00 0.00 C ATOM 176 O MET A 25 -2.305 -10.607 -5.090 1.00 0.00 O ATOM 177 CB MET A 25 -1.011 -12.178 -3.261 1.00 0.00 C ATOM 178 CG MET A 25 -1.589 -12.024 -1.865 1.00 0.00 C ATOM 179 SD MET A 25 -3.128 -11.085 -1.846 1.00 0.00 S ATOM 180 CE MET A 25 -4.263 -12.315 -1.212 1.00 0.00 C ATOM 0 H MET A 25 -0.260 -13.685 -5.122 1.00 0.00 H new ATOM 0 HA MET A 25 -2.775 -13.331 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.096 -12.768 -3.203 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.733 -11.195 -3.640 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.766 -13.012 -1.439 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.858 -11.528 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.184 -11.829 -0.891 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.488 -13.040 -1.994 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.808 -12.827 -0.364 1.00 0.00 H new ATOM 190 N LEU A 26 -3.514 -12.248 -6.048 1.00 0.00 N ATOM 191 CA LEU A 26 -4.203 -11.347 -6.974 1.00 0.00 C ATOM 192 C LEU A 26 -4.973 -10.265 -6.212 1.00 0.00 C ATOM 193 O LEU A 26 -4.940 -9.089 -6.585 1.00 0.00 O ATOM 194 CB LEU A 26 -5.152 -12.136 -7.882 1.00 0.00 C ATOM 195 CG LEU A 26 -5.321 -11.569 -9.293 1.00 0.00 C ATOM 196 CD1 LEU A 26 -4.006 -11.615 -10.051 1.00 0.00 C ATOM 197 CD2 LEU A 26 -6.393 -12.337 -10.048 1.00 0.00 C ATOM 0 H LEU A 26 -3.784 -13.228 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.451 -10.858 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.787 -13.160 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.131 -12.182 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.632 -10.528 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.148 -11.207 -11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.260 -11.023 -9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.665 -12.648 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.501 -11.921 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.107 -13.386 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.341 -12.255 -9.517 1.00 0.00 H new ATOM 209 N LEU A 27 -5.654 -10.671 -5.135 1.00 0.00 N ATOM 210 CA LEU A 27 -6.425 -9.741 -4.302 1.00 0.00 C ATOM 211 C LEU A 27 -5.611 -8.488 -3.956 1.00 0.00 C ATOM 212 O LEU A 27 -6.173 -7.399 -3.808 1.00 0.00 O ATOM 213 CB LEU A 27 -6.885 -10.438 -3.016 1.00 0.00 C ATOM 214 CG LEU A 27 -8.096 -11.362 -3.171 1.00 0.00 C ATOM 215 CD1 LEU A 27 -8.222 -12.278 -1.965 1.00 0.00 C ATOM 216 CD2 LEU A 27 -9.368 -10.549 -3.352 1.00 0.00 C ATOM 0 H LEU A 27 -5.687 -11.640 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.298 -9.428 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.053 -11.020 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.123 -9.676 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.949 -11.975 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.088 -12.928 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.322 -12.886 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.347 -11.678 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.218 -11.223 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.519 -9.911 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.280 -9.929 -4.244 1.00 0.00 H new ATOM 228 N ALA A 28 -4.286 -8.652 -3.841 1.00 0.00 N ATOM 229 CA ALA A 28 -3.381 -7.545 -3.527 1.00 0.00 C ATOM 230 C ALA A 28 -3.696 -6.312 -4.376 1.00 0.00 C ATOM 231 O ALA A 28 -3.754 -5.194 -3.857 1.00 0.00 O ATOM 232 CB ALA A 28 -1.931 -7.980 -3.727 1.00 0.00 C ATOM 0 H ALA A 28 -3.817 -9.550 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.527 -7.272 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.266 -7.149 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.709 -8.821 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.781 -8.281 -4.764 1.00 0.00 H new ATOM 238 N LEU A 29 -3.924 -6.525 -5.678 1.00 0.00 N ATOM 239 CA LEU A 29 -4.255 -5.430 -6.591 1.00 0.00 C ATOM 240 C LEU A 29 -5.407 -4.594 -6.037 1.00 0.00 C ATOM 241 O LEU A 29 -5.373 -3.361 -6.082 1.00 0.00 O ATOM 242 CB LEU A 29 -4.619 -5.981 -7.976 1.00 0.00 C ATOM 243 CG LEU A 29 -4.040 -5.206 -9.163 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.718 -3.854 -9.303 1.00 0.00 C ATOM 245 CD2 LEU A 29 -2.537 -5.031 -9.007 1.00 0.00 C ATOM 0 H LEU A 29 -3.885 -7.444 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.379 -4.789 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.279 -7.015 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.705 -5.996 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.229 -5.782 -10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.292 -3.320 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.786 -3.998 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.563 -3.273 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.145 -4.478 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.328 -4.480 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.060 -6.010 -8.958 1.00 0.00 H new ATOM 257 N ALA A 30 -6.416 -5.275 -5.490 1.00 0.00 N ATOM 258 CA ALA A 30 -7.565 -4.604 -4.900 1.00 0.00 C ATOM 259 C ALA A 30 -7.146 -3.783 -3.682 1.00 0.00 C ATOM 260 O ALA A 30 -7.705 -2.718 -3.428 1.00 0.00 O ATOM 261 CB ALA A 30 -8.639 -5.618 -4.526 1.00 0.00 C ATOM 0 H ALA A 30 -6.456 -6.293 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.981 -3.920 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.491 -5.100 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.961 -6.153 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.234 -6.328 -3.804 1.00 0.00 H new ATOM 267 N LEU A 31 -6.140 -4.267 -2.948 1.00 0.00 N ATOM 268 CA LEU A 31 -5.638 -3.554 -1.774 1.00 0.00 C ATOM 269 C LEU A 31 -4.934 -2.269 -2.204 1.00 0.00 C ATOM 270 O LEU A 31 -5.180 -1.198 -1.646 1.00 0.00 O ATOM 271 CB LEU A 31 -4.688 -4.447 -0.967 1.00 0.00 C ATOM 272 CG LEU A 31 -5.364 -5.356 0.063 1.00 0.00 C ATOM 273 CD1 LEU A 31 -5.938 -4.534 1.205 1.00 0.00 C ATOM 274 CD2 LEU A 31 -6.457 -6.191 -0.591 1.00 0.00 C ATOM 0 H LEU A 31 -5.660 -5.145 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.482 -3.293 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.123 -5.069 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.969 -3.811 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.610 -6.032 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.414 -5.197 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.136 -3.981 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.676 -3.833 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.924 -6.830 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.208 -5.531 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.022 -6.810 -1.375 1.00 0.00 H new ATOM 286 N VAL A 32 -4.081 -2.379 -3.224 1.00 0.00 N ATOM 287 CA VAL A 32 -3.368 -1.218 -3.755 1.00 0.00 C ATOM 288 C VAL A 32 -4.375 -0.189 -4.267 1.00 0.00 C ATOM 289 O VAL A 32 -4.316 0.987 -3.903 1.00 0.00 O ATOM 290 CB VAL A 32 -2.405 -1.603 -4.900 1.00 0.00 C ATOM 291 CG1 VAL A 32 -1.668 -0.376 -5.418 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.413 -2.660 -4.441 1.00 0.00 C ATOM 0 H VAL A 32 -3.868 -3.257 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.773 -0.798 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.999 -2.020 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.995 -0.669 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.389 0.350 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.091 0.071 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.746 -2.915 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.828 -2.272 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.953 -3.552 -4.122 1.00 0.00 H new ATOM 302 N VAL A 33 -5.316 -0.656 -5.095 1.00 0.00 N ATOM 303 CA VAL A 33 -6.358 0.211 -5.640 1.00 0.00 C ATOM 304 C VAL A 33 -7.185 0.820 -4.507 1.00 0.00 C ATOM 305 O VAL A 33 -7.389 2.034 -4.465 1.00 0.00 O ATOM 306 CB VAL A 33 -7.291 -0.554 -6.606 1.00 0.00 C ATOM 307 CG1 VAL A 33 -8.454 0.323 -7.050 1.00 0.00 C ATOM 308 CG2 VAL A 33 -6.517 -1.055 -7.816 1.00 0.00 C ATOM 0 H VAL A 33 -5.375 -1.628 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.863 1.003 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.695 -1.413 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.095 -0.239 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.031 0.631 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.070 1.206 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.192 -1.591 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.080 -0.208 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.723 -1.726 -7.488 1.00 0.00 H new ATOM 318 N LEU A 34 -7.639 -0.029 -3.579 1.00 0.00 N ATOM 319 CA LEU A 34 -8.424 0.431 -2.434 1.00 0.00 C ATOM 320 C LEU A 34 -7.661 1.508 -1.669 1.00 0.00 C ATOM 321 O LEU A 34 -8.219 2.554 -1.345 1.00 0.00 O ATOM 322 CB LEU A 34 -8.767 -0.739 -1.502 1.00 0.00 C ATOM 323 CG LEU A 34 -10.036 -1.512 -1.868 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.345 -2.561 -0.813 1.00 0.00 C ATOM 325 CD2 LEU A 34 -11.216 -0.565 -2.033 1.00 0.00 C ATOM 0 H LEU A 34 -7.476 -1.036 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.356 0.856 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.927 -1.434 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.874 -0.355 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.864 -2.016 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.251 -3.100 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.513 -3.261 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.493 -2.075 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.107 -1.136 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.387 -0.031 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.000 0.151 -2.826 1.00 0.00 H new ATOM 337 N ALA A 35 -6.374 1.257 -1.411 1.00 0.00 N ATOM 338 CA ALA A 35 -5.532 2.225 -0.715 1.00 0.00 C ATOM 339 C ALA A 35 -5.516 3.548 -1.479 1.00 0.00 C ATOM 340 O ALA A 35 -5.739 4.615 -0.898 1.00 0.00 O ATOM 341 CB ALA A 35 -4.122 1.678 -0.547 1.00 0.00 C ATOM 0 H ALA A 35 -5.897 0.394 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.945 2.405 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.507 2.412 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.156 0.756 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.692 1.474 -1.527 1.00 0.00 H new ATOM 347 N ILE A 36 -5.282 3.469 -2.792 1.00 0.00 N ATOM 348 CA ILE A 36 -5.272 4.657 -3.647 1.00 0.00 C ATOM 349 C ILE A 36 -6.620 5.379 -3.559 1.00 0.00 C ATOM 350 O ILE A 36 -6.671 6.604 -3.414 1.00 0.00 O ATOM 351 CB ILE A 36 -4.971 4.297 -5.120 1.00 0.00 C ATOM 352 CG1 ILE A 36 -3.577 3.672 -5.242 1.00 0.00 C ATOM 353 CG2 ILE A 36 -5.077 5.530 -6.009 1.00 0.00 C ATOM 354 CD1 ILE A 36 -3.392 2.841 -6.492 1.00 0.00 C ATOM 0 H ILE A 36 -5.097 2.595 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.479 5.314 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.711 3.569 -5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.830 4.466 -5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.391 3.046 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.861 5.254 -7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.086 5.939 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.360 6.281 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.382 2.431 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.115 2.025 -6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.545 3.467 -7.371 1.00 0.00 H new ATOM 366 N VAL A 37 -7.707 4.603 -3.618 1.00 0.00 N ATOM 367 CA VAL A 37 -9.058 5.153 -3.514 1.00 0.00 C ATOM 368 C VAL A 37 -9.220 5.879 -2.182 1.00 0.00 C ATOM 369 O VAL A 37 -9.615 7.046 -2.145 1.00 0.00 O ATOM 370 CB VAL A 37 -10.136 4.050 -3.630 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.532 4.635 -3.463 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.023 3.324 -4.964 1.00 0.00 C ATOM 0 H VAL A 37 -7.675 3.591 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.195 5.850 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.967 3.331 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.272 3.840 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.615 5.104 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.709 5.381 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.791 2.552 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.159 4.036 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.038 2.863 -5.045 1.00 0.00 H new ATOM 382 N VAL A 38 -8.879 5.187 -1.090 1.00 0.00 N ATOM 383 CA VAL A 38 -8.951 5.774 0.248 1.00 0.00 C ATOM 384 C VAL A 38 -8.150 7.070 0.282 1.00 0.00 C ATOM 385 O VAL A 38 -8.642 8.103 0.742 1.00 0.00 O ATOM 386 CB VAL A 38 -8.411 4.805 1.325 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.340 5.491 2.682 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.272 3.554 1.407 1.00 0.00 C ATOM 0 H VAL A 38 -8.551 4.221 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.999 5.975 0.470 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.402 4.509 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.957 4.790 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.675 6.353 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.336 5.822 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.873 2.887 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.294 3.832 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.267 3.045 0.443 1.00 0.00 H new ATOM 398 N GLN A 39 -6.921 7.010 -0.237 1.00 0.00 N ATOM 399 CA GLN A 39 -6.049 8.179 -0.302 1.00 0.00 C ATOM 400 C GLN A 39 -6.760 9.326 -1.022 1.00 0.00 C ATOM 401 O GLN A 39 -6.892 10.423 -0.479 1.00 0.00 O ATOM 402 CB GLN A 39 -4.746 7.812 -1.026 1.00 0.00 C ATOM 403 CG GLN A 39 -3.925 9.010 -1.482 1.00 0.00 C ATOM 404 CD GLN A 39 -2.622 8.599 -2.138 1.00 0.00 C ATOM 405 OE1 GLN A 39 -1.639 8.316 -1.460 1.00 0.00 O ATOM 406 NE2 GLN A 39 -2.605 8.561 -3.463 1.00 0.00 N ATOM 0 H GLN A 39 -6.509 6.159 -0.619 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.809 8.506 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.136 7.199 -0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.987 7.199 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.511 9.603 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.712 9.649 -0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.443 8.804 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.754 8.289 -3.955 1.00 0.00 H new ATOM 415 N MET A 40 -7.238 9.050 -2.241 1.00 0.00 N ATOM 416 CA MET A 40 -7.960 10.049 -3.032 1.00 0.00 C ATOM 417 C MET A 40 -9.133 10.619 -2.232 1.00 0.00 C ATOM 418 O MET A 40 -9.285 11.840 -2.117 1.00 0.00 O ATOM 419 CB MET A 40 -8.460 9.431 -4.343 1.00 0.00 C ATOM 420 CG MET A 40 -8.302 10.345 -5.548 1.00 0.00 C ATOM 421 SD MET A 40 -9.055 9.667 -7.038 1.00 0.00 S ATOM 422 CE MET A 40 -8.944 11.069 -8.147 1.00 0.00 C ATOM 0 H MET A 40 -7.137 8.144 -2.699 1.00 0.00 H new ATOM 0 HA MET A 40 -7.275 10.863 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.918 8.504 -4.528 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.512 9.168 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.752 11.313 -5.326 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.242 10.521 -5.729 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.371 10.803 -9.114 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.495 11.910 -7.726 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.898 11.348 -8.277 1.00 0.00 H new ATOM 432 N ALA A 41 -9.947 9.724 -1.662 1.00 0.00 N ATOM 433 CA ALA A 41 -11.090 10.133 -0.850 1.00 0.00 C ATOM 434 C ALA A 41 -10.635 11.057 0.280 1.00 0.00 C ATOM 435 O ALA A 41 -11.197 12.135 0.479 1.00 0.00 O ATOM 436 CB ALA A 41 -11.809 8.910 -0.294 1.00 0.00 C ATOM 0 H ALA A 41 -9.833 8.714 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.789 10.683 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.659 9.230 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.162 8.290 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.121 8.334 0.325 1.00 0.00 H new ATOM 442 N VAL A 42 -9.590 10.635 0.999 1.00 0.00 N ATOM 443 CA VAL A 42 -9.032 11.429 2.091 1.00 0.00 C ATOM 444 C VAL A 42 -8.620 12.809 1.582 1.00 0.00 C ATOM 445 O VAL A 42 -8.986 13.826 2.170 1.00 0.00 O ATOM 446 CB VAL A 42 -7.812 10.736 2.738 1.00 0.00 C ATOM 447 CG1 VAL A 42 -7.163 11.639 3.779 1.00 0.00 C ATOM 448 CG2 VAL A 42 -8.214 9.409 3.363 1.00 0.00 C ATOM 0 H VAL A 42 -9.115 9.746 0.842 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.808 11.530 2.850 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.082 10.540 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.307 11.129 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.830 12.562 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.887 11.874 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.339 8.939 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.968 9.582 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.623 8.754 2.594 1.00 0.00 H new ATOM 458 N THR A 43 -7.871 12.833 0.476 1.00 0.00 N ATOM 459 CA THR A 43 -7.425 14.096 -0.122 1.00 0.00 C ATOM 460 C THR A 43 -8.619 14.996 -0.434 1.00 0.00 C ATOM 461 O THR A 43 -8.607 16.184 -0.115 1.00 0.00 O ATOM 462 CB THR A 43 -6.623 13.837 -1.403 1.00 0.00 C ATOM 463 OG1 THR A 43 -5.511 13.000 -1.146 1.00 0.00 O ATOM 464 CG2 THR A 43 -6.099 15.103 -2.048 1.00 0.00 C ATOM 0 H THR A 43 -7.562 11.998 -0.022 1.00 0.00 H new ATOM 0 HA THR A 43 -6.782 14.599 0.600 1.00 0.00 H new ATOM 0 HB THR A 43 -7.326 13.359 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.823 12.091 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.541 14.848 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.935 15.751 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.443 15.622 -1.350 1.00 0.00 H new ATOM 472 N MET A 44 -9.649 14.419 -1.055 1.00 0.00 N ATOM 473 CA MET A 44 -10.855 15.170 -1.407 1.00 0.00 C ATOM 474 C MET A 44 -11.573 15.683 -0.153 1.00 0.00 C ATOM 475 O MET A 44 -11.973 16.847 -0.093 1.00 0.00 O ATOM 476 CB MET A 44 -11.802 14.295 -2.236 1.00 0.00 C ATOM 477 CG MET A 44 -12.850 15.084 -3.005 1.00 0.00 C ATOM 478 SD MET A 44 -14.092 14.027 -3.772 1.00 0.00 S ATOM 479 CE MET A 44 -15.432 15.193 -4.007 1.00 0.00 C ATOM 0 H MET A 44 -9.672 13.435 -1.324 1.00 0.00 H new ATOM 0 HA MET A 44 -10.554 16.032 -2.002 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.215 13.706 -2.940 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.305 13.591 -1.573 1.00 0.00 H new ATOM 0 HG2 MET A 44 -13.341 15.783 -2.328 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.359 15.678 -3.775 1.00 0.00 H new ATOM 0 HE1 MET A 44 -16.277 14.687 -4.474 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.738 15.595 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 44 -15.097 16.008 -4.649 1.00 0.00 H new ATOM 489 N VAL A 45 -11.736 14.807 0.841 1.00 0.00 N ATOM 490 CA VAL A 45 -12.406 15.169 2.091 1.00 0.00 C ATOM 491 C VAL A 45 -11.618 16.234 2.863 1.00 0.00 C ATOM 492 O VAL A 45 -12.184 17.238 3.300 1.00 0.00 O ATOM 493 CB VAL A 45 -12.620 13.933 2.995 1.00 0.00 C ATOM 494 CG1 VAL A 45 -13.235 14.332 4.330 1.00 0.00 C ATOM 495 CG2 VAL A 45 -13.497 12.904 2.298 1.00 0.00 C ATOM 0 H VAL A 45 -11.412 13.840 0.804 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.378 15.580 1.818 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.644 13.487 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.375 13.444 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.572 15.029 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.200 14.810 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.635 12.042 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.467 13.347 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.018 12.585 1.372 1.00 0.00 H new ATOM 505 N LEU A 46 -10.312 16.014 3.022 1.00 0.00 N ATOM 506 CA LEU A 46 -9.449 16.957 3.738 1.00 0.00 C ATOM 507 C LEU A 46 -9.175 18.210 2.895 1.00 0.00 C ATOM 508 O LEU A 46 -8.023 18.541 2.596 1.00 0.00 O ATOM 509 CB LEU A 46 -8.133 16.271 4.133 1.00 0.00 C ATOM 510 CG LEU A 46 -7.992 15.943 5.620 1.00 0.00 C ATOM 511 CD1 LEU A 46 -9.018 14.905 6.041 1.00 0.00 C ATOM 512 CD2 LEU A 46 -6.587 15.451 5.923 1.00 0.00 C ATOM 0 H LEU A 46 -9.828 15.191 2.665 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.967 17.275 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.038 15.347 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.304 16.914 3.839 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.173 16.854 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.900 14.686 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.021 15.291 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.870 13.992 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.503 15.222 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.383 14.553 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.866 16.225 5.661 1.00 0.00 H new ATOM 524 N HIS A 47 -10.249 18.905 2.519 1.00 0.00 N ATOM 525 CA HIS A 47 -10.149 20.123 1.713 1.00 0.00 C ATOM 526 C HIS A 47 -9.343 21.205 2.435 1.00 0.00 C ATOM 527 O HIS A 47 -9.344 21.275 3.669 1.00 0.00 O ATOM 528 CB HIS A 47 -11.552 20.645 1.378 1.00 0.00 C ATOM 529 CG HIS A 47 -11.704 21.066 -0.048 1.00 0.00 C ATOM 530 ND1 HIS A 47 -11.974 22.361 -0.422 1.00 0.00 N ATOM 531 CD2 HIS A 47 -11.607 20.357 -1.194 1.00 0.00 C ATOM 532 CE1 HIS A 47 -12.037 22.433 -1.738 1.00 0.00 C ATOM 533 NE2 HIS A 47 -11.814 21.229 -2.236 1.00 0.00 N ATOM 0 H HIS A 47 -11.205 18.643 2.762 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.625 19.876 0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.283 19.868 1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.781 21.492 2.025 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -11.404 19.299 -1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.237 23.326 -2.312 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -11.798 20.988 -3.227 1.00 0.00 H new ATOM 542 N GLY A 48 -8.658 22.050 1.663 1.00 0.00 N ATOM 543 CA GLY A 48 -7.857 23.122 2.243 1.00 0.00 C ATOM 544 C GLY A 48 -6.621 22.618 2.972 1.00 0.00 C ATOM 545 O GLY A 48 -5.499 22.958 2.597 1.00 0.00 O ATOM 0 H GLY A 48 -8.643 22.012 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.551 23.807 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.473 23.693 2.938 1.00 0.00 H new ATOM 549 N GLN A 49 -6.836 21.811 4.014 1.00 0.00 N ATOM 550 CA GLN A 49 -5.746 21.247 4.823 1.00 0.00 C ATOM 551 C GLN A 49 -4.550 20.820 3.968 1.00 0.00 C ATOM 552 O GLN A 49 -3.424 21.263 4.200 1.00 0.00 O ATOM 553 CB GLN A 49 -6.259 20.050 5.634 1.00 0.00 C ATOM 554 CG GLN A 49 -6.085 20.211 7.139 1.00 0.00 C ATOM 555 CD GLN A 49 -4.689 19.857 7.614 1.00 0.00 C ATOM 556 OE1 GLN A 49 -3.940 20.717 8.067 1.00 0.00 O ATOM 557 NE2 GLN A 49 -4.329 18.586 7.514 1.00 0.00 N ATOM 0 H GLN A 49 -7.767 21.529 4.322 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.404 22.032 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.316 19.899 5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.734 19.151 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.307 21.241 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.809 19.579 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.980 17.900 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.401 18.293 7.819 1.00 0.00 H new ATOM 566 N VAL A 50 -4.798 19.952 2.986 1.00 0.00 N ATOM 567 CA VAL A 50 -3.732 19.468 2.107 1.00 0.00 C ATOM 568 C VAL A 50 -4.284 19.004 0.751 1.00 0.00 C ATOM 569 O VAL A 50 -4.269 17.816 0.429 1.00 0.00 O ATOM 570 CB VAL A 50 -2.926 18.327 2.779 1.00 0.00 C ATOM 571 CG1 VAL A 50 -3.838 17.187 3.208 1.00 0.00 C ATOM 572 CG2 VAL A 50 -1.828 17.816 1.854 1.00 0.00 C ATOM 0 H VAL A 50 -5.722 19.572 2.780 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.059 20.307 1.928 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.456 18.738 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.244 16.402 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.574 17.559 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.350 16.783 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.278 17.016 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.274 17.434 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.146 18.631 1.614 1.00 0.00 H new ATOM 582 N GLU A 51 -4.763 19.957 -0.046 1.00 0.00 N ATOM 583 CA GLU A 51 -5.308 19.642 -1.369 1.00 0.00 C ATOM 584 C GLU A 51 -4.185 19.430 -2.384 1.00 0.00 C ATOM 585 O GLU A 51 -4.116 18.390 -3.037 1.00 0.00 O ATOM 586 CB GLU A 51 -6.247 20.756 -1.843 1.00 0.00 C ATOM 587 CG GLU A 51 -7.712 20.343 -1.869 1.00 0.00 C ATOM 588 CD GLU A 51 -8.649 21.525 -1.984 1.00 0.00 C ATOM 589 OE1 GLU A 51 -8.836 22.229 -0.970 1.00 0.00 O ATOM 590 OE2 GLU A 51 -9.199 21.743 -3.084 1.00 0.00 O ATOM 0 H GLU A 51 -4.786 20.947 0.197 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.877 18.716 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.133 21.620 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.949 21.071 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.880 19.668 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.945 19.787 -0.961 1.00 0.00 H new ATOM 597 N SER A 52 -3.297 20.421 -2.502 1.00 0.00 N ATOM 598 CA SER A 52 -2.160 20.344 -3.428 1.00 0.00 C ATOM 599 C SER A 52 -2.621 20.151 -4.877 1.00 0.00 C ATOM 600 O SER A 52 -2.349 19.120 -5.497 1.00 0.00 O ATOM 601 CB SER A 52 -1.220 19.205 -3.018 1.00 0.00 C ATOM 602 OG SER A 52 -0.679 19.430 -1.724 1.00 0.00 O ATOM 0 H SER A 52 -3.342 21.288 -1.967 1.00 0.00 H new ATOM 0 HA SER A 52 -1.624 21.292 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.762 18.260 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.411 19.117 -3.744 1.00 0.00 H new ATOM 0 HG SER A 52 -0.084 18.689 -1.485 1.00 0.00 H new ATOM 608 N ILE A 53 -3.313 21.153 -5.413 1.00 0.00 N ATOM 609 CA ILE A 53 -3.806 21.097 -6.793 1.00 0.00 C ATOM 610 C ILE A 53 -2.768 21.638 -7.783 1.00 0.00 C ATOM 611 O ILE A 53 -2.662 21.150 -8.908 1.00 0.00 O ATOM 612 CB ILE A 53 -5.141 21.867 -6.971 1.00 0.00 C ATOM 613 CG1 ILE A 53 -5.069 23.267 -6.337 1.00 0.00 C ATOM 614 CG2 ILE A 53 -6.296 21.064 -6.383 1.00 0.00 C ATOM 615 CD1 ILE A 53 -5.520 23.316 -4.889 1.00 0.00 C ATOM 0 H ILE A 53 -3.546 22.013 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.987 20.044 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.316 21.999 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.043 23.630 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.685 23.951 -6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.227 21.616 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.368 20.103 -6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.120 20.898 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.439 24.337 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.556 22.986 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.889 22.660 -4.289 1.00 0.00 H new ATOM 627 N ASP A 54 -1.993 22.635 -7.349 1.00 0.00 N ATOM 628 CA ASP A 54 -0.956 23.228 -8.188 1.00 0.00 C ATOM 629 C ASP A 54 0.418 22.656 -7.819 1.00 0.00 C ATOM 630 O ASP A 54 0.967 21.819 -8.541 1.00 0.00 O ATOM 631 CB ASP A 54 -0.975 24.757 -8.039 1.00 0.00 C ATOM 632 CG ASP A 54 0.126 25.438 -8.825 1.00 0.00 C ATOM 633 OD1 ASP A 54 1.225 25.622 -8.263 1.00 0.00 O ATOM 634 OD2 ASP A 54 -0.113 25.790 -9.998 1.00 0.00 O ATOM 0 H ASP A 54 -2.067 23.047 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.154 22.981 -9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.941 25.138 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.876 25.016 -6.985 1.00 0.00 H new ATOM 639 N VAL A 55 0.960 23.094 -6.683 1.00 0.00 N ATOM 640 CA VAL A 55 2.260 22.610 -6.212 1.00 0.00 C ATOM 641 C VAL A 55 2.133 21.210 -5.596 1.00 0.00 C ATOM 642 O VAL A 55 2.428 21.003 -4.416 1.00 0.00 O ATOM 643 CB VAL A 55 2.898 23.578 -5.184 1.00 0.00 C ATOM 644 CG1 VAL A 55 3.496 24.785 -5.886 1.00 0.00 C ATOM 645 CG2 VAL A 55 1.878 24.019 -4.140 1.00 0.00 C ATOM 0 H VAL A 55 0.521 23.782 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 55 2.914 22.560 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 55 3.698 23.044 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.939 25.453 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.265 24.456 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.714 25.314 -6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.353 24.698 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.051 24.530 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.500 23.145 -3.609 1.00 0.00 H new ATOM 655 N ILE A 56 1.685 20.254 -6.407 1.00 0.00 N ATOM 656 CA ILE A 56 1.508 18.877 -5.949 1.00 0.00 C ATOM 657 C ILE A 56 2.845 18.140 -5.844 1.00 0.00 C ATOM 658 O ILE A 56 3.595 18.032 -6.818 1.00 0.00 O ATOM 659 CB ILE A 56 0.544 18.087 -6.868 1.00 0.00 C ATOM 660 CG1 ILE A 56 0.332 16.669 -6.331 1.00 0.00 C ATOM 661 CG2 ILE A 56 1.066 18.041 -8.300 1.00 0.00 C ATOM 662 CD1 ILE A 56 -1.041 16.111 -6.630 1.00 0.00 C ATOM 0 H ILE A 56 1.438 20.407 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 56 1.066 18.936 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.415 18.605 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.085 16.009 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.488 16.670 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.370 17.480 -8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.161 19.056 -8.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.041 17.554 -8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.121 15.104 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.800 16.749 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.193 16.078 -7.709 1.00 0.00 H new ATOM 674 N ARG A 57 3.136 17.631 -4.651 1.00 0.00 N ATOM 675 CA ARG A 57 4.380 16.901 -4.406 1.00 0.00 C ATOM 676 C ARG A 57 4.285 15.470 -4.952 1.00 0.00 C ATOM 677 O ARG A 57 4.250 14.501 -4.194 1.00 0.00 O ATOM 678 CB ARG A 57 4.691 16.896 -2.906 1.00 0.00 C ATOM 679 CG ARG A 57 4.763 18.288 -2.293 1.00 0.00 C ATOM 680 CD ARG A 57 5.064 18.229 -0.805 1.00 0.00 C ATOM 681 NE ARG A 57 6.441 18.638 -0.509 1.00 0.00 N ATOM 682 CZ ARG A 57 6.860 19.899 -0.483 1.00 0.00 C ATOM 683 NH1 ARG A 57 6.028 20.892 -0.742 1.00 0.00 N ATOM 684 NH2 ARG A 57 8.120 20.165 -0.197 1.00 0.00 N ATOM 0 H ARG A 57 2.528 17.710 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 57 5.194 17.402 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.926 16.319 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.641 16.387 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.535 18.869 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.818 18.806 -2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.370 18.876 -0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.900 17.215 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 57 7.123 17.906 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.052 20.695 -0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.361 21.856 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.769 19.404 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.445 21.132 -0.176 1.00 0.00 H new ATOM 698 N SER A 58 4.235 15.359 -6.284 1.00 0.00 N ATOM 699 CA SER A 58 4.132 14.059 -6.962 1.00 0.00 C ATOM 700 C SER A 58 5.225 13.089 -6.509 1.00 0.00 C ATOM 701 O SER A 58 4.961 12.162 -5.742 1.00 0.00 O ATOM 702 CB SER A 58 4.199 14.253 -8.483 1.00 0.00 C ATOM 703 OG SER A 58 5.453 14.796 -8.874 1.00 0.00 O ATOM 0 H SER A 58 4.264 16.157 -6.918 1.00 0.00 H new ATOM 0 HA SER A 58 3.171 13.622 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.042 13.297 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.396 14.916 -8.804 1.00 0.00 H new ATOM 0 HG SER A 58 5.472 14.909 -9.847 1.00 0.00 H new ATOM 709 N ILE A 59 6.451 13.306 -6.994 1.00 0.00 N ATOM 710 CA ILE A 59 7.594 12.452 -6.649 1.00 0.00 C ATOM 711 C ILE A 59 7.638 12.160 -5.146 1.00 0.00 C ATOM 712 O ILE A 59 7.912 11.029 -4.733 1.00 0.00 O ATOM 713 CB ILE A 59 8.930 13.101 -7.079 1.00 0.00 C ATOM 714 CG1 ILE A 59 8.933 13.376 -8.585 1.00 0.00 C ATOM 715 CG2 ILE A 59 10.108 12.210 -6.704 1.00 0.00 C ATOM 716 CD1 ILE A 59 8.958 14.850 -8.929 1.00 0.00 C ATOM 0 H ILE A 59 6.679 14.070 -7.630 1.00 0.00 H new ATOM 0 HA ILE A 59 7.462 11.515 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 59 9.032 14.049 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.801 12.892 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.048 12.922 -9.031 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.038 12.686 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.121 12.060 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.009 11.246 -7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.959 14.971 -10.012 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.077 15.336 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.856 15.306 -8.512 1.00 0.00 H new ATOM 728 N PHE A 60 7.349 13.185 -4.339 1.00 0.00 N ATOM 729 CA PHE A 60 7.336 13.055 -2.880 1.00 0.00 C ATOM 730 C PHE A 60 6.615 11.780 -2.435 1.00 0.00 C ATOM 731 O PHE A 60 7.031 11.131 -1.474 1.00 0.00 O ATOM 732 CB PHE A 60 6.668 14.281 -2.255 1.00 0.00 C ATOM 733 CG PHE A 60 7.396 14.828 -1.061 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.588 15.518 -1.214 1.00 0.00 C ATOM 735 CD2 PHE A 60 6.888 14.653 0.216 1.00 0.00 C ATOM 736 CE1 PHE A 60 9.259 16.023 -0.117 1.00 0.00 C ATOM 737 CE2 PHE A 60 7.555 15.155 1.317 1.00 0.00 C ATOM 738 CZ PHE A 60 8.743 15.840 1.151 1.00 0.00 C ATOM 0 H PHE A 60 7.119 14.120 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 60 8.369 12.989 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.588 15.063 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.652 14.018 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.997 15.663 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.960 14.118 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.186 16.560 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.148 15.012 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.267 16.231 2.010 1.00 0.00 H new ATOM 748 N PHE A 61 5.538 11.423 -3.149 1.00 0.00 N ATOM 749 CA PHE A 61 4.761 10.220 -2.840 1.00 0.00 C ATOM 750 C PHE A 61 5.676 9.036 -2.524 1.00 0.00 C ATOM 751 O PHE A 61 5.469 8.335 -1.532 1.00 0.00 O ATOM 752 CB PHE A 61 3.834 9.873 -4.010 1.00 0.00 C ATOM 753 CG PHE A 61 2.850 8.780 -3.697 1.00 0.00 C ATOM 754 CD1 PHE A 61 2.038 8.863 -2.578 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.737 7.673 -4.522 1.00 0.00 C ATOM 756 CE1 PHE A 61 1.132 7.862 -2.286 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.832 6.667 -4.235 1.00 0.00 C ATOM 758 CZ PHE A 61 1.029 6.763 -3.115 1.00 0.00 C ATOM 0 H PHE A 61 5.187 11.954 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 61 4.158 10.427 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.287 10.768 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.439 9.571 -4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.114 9.721 -1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.362 7.594 -5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.505 7.939 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.753 5.808 -4.885 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.321 5.979 -2.888 1.00 0.00 H new ATOM 768 N GLY A 62 6.698 8.834 -3.367 1.00 0.00 N ATOM 769 CA GLY A 62 7.649 7.749 -3.162 1.00 0.00 C ATOM 770 C GLY A 62 8.062 7.603 -1.710 1.00 0.00 C ATOM 771 O GLY A 62 8.061 6.498 -1.170 1.00 0.00 O ATOM 0 H GLY A 62 6.881 9.407 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.207 6.814 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.535 7.927 -3.772 1.00 0.00 H new ATOM 775 N LEU A 63 8.384 8.723 -1.063 1.00 0.00 N ATOM 776 CA LEU A 63 8.770 8.707 0.347 1.00 0.00 C ATOM 777 C LEU A 63 7.709 7.984 1.175 1.00 0.00 C ATOM 778 O LEU A 63 8.027 7.091 1.969 1.00 0.00 O ATOM 779 CB LEU A 63 8.965 10.137 0.867 1.00 0.00 C ATOM 780 CG LEU A 63 10.372 10.456 1.370 1.00 0.00 C ATOM 781 CD1 LEU A 63 10.644 11.948 1.286 1.00 0.00 C ATOM 782 CD2 LEU A 63 10.552 9.963 2.798 1.00 0.00 C ATOM 0 H LEU A 63 8.385 9.649 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 63 9.715 8.173 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.714 10.835 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.257 10.312 1.677 1.00 0.00 H new ATOM 0 HG LEU A 63 11.089 9.939 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.651 12.155 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.557 12.276 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.920 12.485 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.560 10.199 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.825 10.452 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.400 8.884 2.832 1.00 0.00 H new ATOM 794 N LEU A 64 6.445 8.345 0.946 1.00 0.00 N ATOM 795 CA LEU A 64 5.324 7.716 1.635 1.00 0.00 C ATOM 796 C LEU A 64 5.227 6.239 1.254 1.00 0.00 C ATOM 797 O LEU A 64 4.749 5.416 2.039 1.00 0.00 O ATOM 798 CB LEU A 64 4.017 8.437 1.293 1.00 0.00 C ATOM 799 CG LEU A 64 2.776 7.921 2.025 1.00 0.00 C ATOM 800 CD1 LEU A 64 2.663 8.559 3.400 1.00 0.00 C ATOM 801 CD2 LEU A 64 1.526 8.197 1.205 1.00 0.00 C ATOM 0 H LEU A 64 6.175 9.073 0.285 1.00 0.00 H new ATOM 0 HA LEU A 64 5.493 7.789 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.136 9.497 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.846 8.355 0.220 1.00 0.00 H new ATOM 0 HG LEU A 64 2.874 6.843 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.775 8.180 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.547 8.314 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.586 9.641 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.651 7.824 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.424 9.271 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.605 7.694 0.241 1.00 0.00 H new ATOM 813 N ILE A 65 5.704 5.902 0.052 1.00 0.00 N ATOM 814 CA ILE A 65 5.689 4.524 -0.416 1.00 0.00 C ATOM 815 C ILE A 65 6.603 3.646 0.442 1.00 0.00 C ATOM 816 O ILE A 65 6.426 2.432 0.486 1.00 0.00 O ATOM 817 CB ILE A 65 6.097 4.412 -1.906 1.00 0.00 C ATOM 818 CG1 ILE A 65 5.167 5.265 -2.776 1.00 0.00 C ATOM 819 CG2 ILE A 65 6.064 2.959 -2.361 1.00 0.00 C ATOM 820 CD1 ILE A 65 5.493 5.209 -4.253 1.00 0.00 C ATOM 0 H ILE A 65 6.104 6.568 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 65 4.663 4.169 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 65 7.116 4.784 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.139 4.933 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.219 6.301 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.353 2.900 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.759 2.373 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.056 2.563 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.793 5.837 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.509 5.569 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.412 4.180 -4.605 1.00 0.00 H new ATOM 832 N THR A 66 7.567 4.258 1.148 1.00 0.00 N ATOM 833 CA THR A 66 8.465 3.490 2.015 1.00 0.00 C ATOM 834 C THR A 66 7.656 2.813 3.127 1.00 0.00 C ATOM 835 O THR A 66 7.570 1.584 3.175 1.00 0.00 O ATOM 836 CB THR A 66 9.574 4.370 2.612 1.00 0.00 C ATOM 837 OG1 THR A 66 9.840 5.491 1.789 1.00 0.00 O ATOM 838 CG2 THR A 66 10.880 3.633 2.797 1.00 0.00 C ATOM 0 H THR A 66 7.741 5.263 1.135 1.00 0.00 H new ATOM 0 HA THR A 66 8.952 2.728 1.407 1.00 0.00 H new ATOM 0 HB THR A 66 9.194 4.679 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.441 6.292 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.622 4.309 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.729 2.789 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.232 3.268 1.832 1.00 0.00 H new ATOM 846 N PRO A 67 7.009 3.602 4.020 1.00 0.00 N ATOM 847 CA PRO A 67 6.178 3.044 5.091 1.00 0.00 C ATOM 848 C PRO A 67 4.962 2.315 4.517 1.00 0.00 C ATOM 849 O PRO A 67 4.568 1.255 5.009 1.00 0.00 O ATOM 850 CB PRO A 67 5.751 4.272 5.903 1.00 0.00 C ATOM 851 CG PRO A 67 5.863 5.415 4.954 1.00 0.00 C ATOM 852 CD PRO A 67 7.004 5.081 4.033 1.00 0.00 C ATOM 0 HA PRO A 67 6.708 2.306 5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.732 4.165 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.394 4.415 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.937 5.550 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.052 6.347 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.849 5.492 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.948 5.483 4.400 1.00 0.00 H new ATOM 860 N TRP A 68 4.390 2.883 3.448 1.00 0.00 N ATOM 861 CA TRP A 68 3.238 2.288 2.771 1.00 0.00 C ATOM 862 C TRP A 68 3.577 0.869 2.310 1.00 0.00 C ATOM 863 O TRP A 68 2.826 -0.073 2.570 1.00 0.00 O ATOM 864 CB TRP A 68 2.832 3.155 1.572 1.00 0.00 C ATOM 865 CG TRP A 68 1.481 2.829 1.010 1.00 0.00 C ATOM 866 CD1 TRP A 68 0.382 2.401 1.699 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.087 2.911 -0.366 1.00 0.00 C ATOM 868 NE1 TRP A 68 -0.671 2.212 0.835 1.00 0.00 N ATOM 869 CE2 TRP A 68 -0.262 2.517 -0.437 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.745 3.279 -1.543 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.964 2.482 -1.639 1.00 0.00 C ATOM 872 CZ3 TRP A 68 1.047 3.243 -2.736 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.295 2.847 -2.776 1.00 0.00 C ATOM 0 H TRP A 68 4.711 3.758 3.034 1.00 0.00 H new ATOM 0 HA TRP A 68 2.401 2.238 3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 68 2.845 4.202 1.874 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.578 3.041 0.786 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.345 2.235 2.766 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -1.605 1.896 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.780 3.586 -1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.000 2.178 -1.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.545 3.525 -3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.813 2.829 -3.723 1.00 0.00 H new ATOM 884 N ALA A 69 4.728 0.729 1.646 1.00 0.00 N ATOM 885 CA ALA A 69 5.194 -0.569 1.167 1.00 0.00 C ATOM 886 C ALA A 69 5.478 -1.503 2.339 1.00 0.00 C ATOM 887 O ALA A 69 5.111 -2.673 2.302 1.00 0.00 O ATOM 888 CB ALA A 69 6.436 -0.403 0.301 1.00 0.00 C ATOM 0 H ALA A 69 5.354 1.504 1.429 1.00 0.00 H new ATOM 0 HA ALA A 69 4.407 -1.014 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.770 -1.380 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.200 0.227 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.228 0.063 0.887 1.00 0.00 H new ATOM 894 N VAL A 70 6.116 -0.973 3.388 1.00 0.00 N ATOM 895 CA VAL A 70 6.422 -1.766 4.579 1.00 0.00 C ATOM 896 C VAL A 70 5.134 -2.311 5.201 1.00 0.00 C ATOM 897 O VAL A 70 5.034 -3.503 5.515 1.00 0.00 O ATOM 898 CB VAL A 70 7.195 -0.935 5.630 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.295 -1.684 6.949 1.00 0.00 C ATOM 900 CG2 VAL A 70 8.583 -0.583 5.115 1.00 0.00 C ATOM 0 H VAL A 70 6.428 -0.003 3.435 1.00 0.00 H new ATOM 0 HA VAL A 70 7.055 -2.597 4.267 1.00 0.00 H new ATOM 0 HB VAL A 70 6.642 -0.012 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.843 -1.078 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.294 -1.885 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.820 -2.626 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.113 0.002 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.138 -1.498 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.494 0.000 4.199 1.00 0.00 H new ATOM 910 N TYR A 71 4.139 -1.435 5.356 1.00 0.00 N ATOM 911 CA TYR A 71 2.848 -1.833 5.913 1.00 0.00 C ATOM 912 C TYR A 71 2.151 -2.816 4.973 1.00 0.00 C ATOM 913 O TYR A 71 1.750 -3.905 5.388 1.00 0.00 O ATOM 914 CB TYR A 71 1.963 -0.606 6.153 1.00 0.00 C ATOM 915 CG TYR A 71 0.986 -0.778 7.295 1.00 0.00 C ATOM 916 CD1 TYR A 71 -0.006 -1.751 7.246 1.00 0.00 C ATOM 917 CD2 TYR A 71 1.057 0.029 8.422 1.00 0.00 C ATOM 918 CE1 TYR A 71 -0.899 -1.912 8.289 1.00 0.00 C ATOM 919 CE2 TYR A 71 0.168 -0.127 9.468 1.00 0.00 C ATOM 920 CZ TYR A 71 -0.807 -1.098 9.396 1.00 0.00 C ATOM 921 OH TYR A 71 -1.692 -1.252 10.436 1.00 0.00 O ATOM 0 H TYR A 71 4.204 -0.449 5.104 1.00 0.00 H new ATOM 0 HA TYR A 71 3.020 -2.324 6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.599 0.256 6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.408 -0.385 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.080 -2.391 6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.820 0.791 8.482 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.665 -2.672 8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.237 0.509 10.338 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.488 -0.600 11.138 1.00 0.00 H new ATOM 931 N PHE A 72 2.035 -2.432 3.698 1.00 0.00 N ATOM 932 CA PHE A 72 1.410 -3.290 2.688 1.00 0.00 C ATOM 933 C PHE A 72 2.053 -4.678 2.712 1.00 0.00 C ATOM 934 O PHE A 72 1.368 -5.696 2.837 1.00 0.00 O ATOM 935 CB PHE A 72 1.560 -2.661 1.296 1.00 0.00 C ATOM 936 CG PHE A 72 0.437 -2.991 0.355 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.417 -4.199 -0.325 1.00 0.00 C ATOM 938 CD2 PHE A 72 -0.597 -2.091 0.147 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.612 -4.504 -1.195 1.00 0.00 C ATOM 940 CE2 PHE A 72 -1.629 -2.393 -0.723 1.00 0.00 C ATOM 941 CZ PHE A 72 -1.636 -3.600 -1.392 1.00 0.00 C ATOM 0 H PHE A 72 2.365 -1.535 3.342 1.00 0.00 H new ATOM 0 HA PHE A 72 0.348 -3.389 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.625 -1.578 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.500 -2.995 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.215 -4.910 -0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.597 -1.146 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.615 -5.448 -1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.429 -1.684 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.443 -3.837 -2.070 1.00 0.00 H new ATOM 951 N LEU A 73 3.384 -4.695 2.620 1.00 0.00 N ATOM 952 CA LEU A 73 4.160 -5.931 2.655 1.00 0.00 C ATOM 953 C LEU A 73 3.828 -6.728 3.912 1.00 0.00 C ATOM 954 O LEU A 73 3.543 -7.919 3.839 1.00 0.00 O ATOM 955 CB LEU A 73 5.658 -5.611 2.608 1.00 0.00 C ATOM 956 CG LEU A 73 6.594 -6.822 2.649 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.792 -6.594 1.743 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.050 -7.096 4.072 1.00 0.00 C ATOM 0 H LEU A 73 3.951 -3.853 2.519 1.00 0.00 H new ATOM 0 HA LEU A 73 3.902 -6.534 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.863 -5.047 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.899 -4.959 3.448 1.00 0.00 H new ATOM 0 HG LEU A 73 6.047 -7.694 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.449 -7.463 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.450 -6.443 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.338 -5.712 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.714 -7.960 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.581 -6.226 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.182 -7.299 4.699 1.00 0.00 H new ATOM 970 N SER A 74 3.846 -6.051 5.064 1.00 0.00 N ATOM 971 CA SER A 74 3.525 -6.690 6.343 1.00 0.00 C ATOM 972 C SER A 74 2.201 -7.444 6.227 1.00 0.00 C ATOM 973 O SER A 74 2.123 -8.640 6.527 1.00 0.00 O ATOM 974 CB SER A 74 3.442 -5.645 7.460 1.00 0.00 C ATOM 975 OG SER A 74 4.661 -4.925 7.582 1.00 0.00 O ATOM 0 H SER A 74 4.079 -5.061 5.137 1.00 0.00 H new ATOM 0 HA SER A 74 4.318 -7.396 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.626 -4.952 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.211 -6.137 8.405 1.00 0.00 H new ATOM 0 HG SER A 74 4.634 -4.136 7.001 1.00 0.00 H new ATOM 981 N VAL A 75 1.171 -6.740 5.749 1.00 0.00 N ATOM 982 CA VAL A 75 -0.143 -7.348 5.552 1.00 0.00 C ATOM 983 C VAL A 75 -0.030 -8.523 4.582 1.00 0.00 C ATOM 984 O VAL A 75 -0.508 -9.621 4.867 1.00 0.00 O ATOM 985 CB VAL A 75 -1.172 -6.330 5.007 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.524 -6.994 4.786 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.311 -5.147 5.956 1.00 0.00 C ATOM 0 H VAL A 75 1.223 -5.754 5.493 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.494 -7.696 6.524 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.809 -5.963 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.232 -6.259 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.418 -7.805 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.892 -7.394 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.039 -4.442 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.647 -5.500 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.346 -4.651 6.062 1.00 0.00 H new ATOM 997 N VAL A 76 0.631 -8.288 3.444 1.00 0.00 N ATOM 998 CA VAL A 76 0.833 -9.334 2.439 1.00 0.00 C ATOM 999 C VAL A 76 1.442 -10.582 3.078 1.00 0.00 C ATOM 1000 O VAL A 76 0.967 -11.694 2.851 1.00 0.00 O ATOM 1001 CB VAL A 76 1.745 -8.847 1.287 1.00 0.00 C ATOM 1002 CG1 VAL A 76 2.210 -10.015 0.428 1.00 0.00 C ATOM 1003 CG2 VAL A 76 1.024 -7.815 0.434 1.00 0.00 C ATOM 0 H VAL A 76 1.034 -7.384 3.197 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.145 -9.579 2.025 1.00 0.00 H new ATOM 0 HB VAL A 76 2.625 -8.379 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.849 -9.645 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.770 -10.719 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.344 -10.518 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.681 -7.485 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.124 -8.259 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.749 -6.960 1.052 1.00 0.00 H new ATOM 1013 N VAL A 77 2.479 -10.386 3.896 1.00 0.00 N ATOM 1014 CA VAL A 77 3.140 -11.491 4.588 1.00 0.00 C ATOM 1015 C VAL A 77 2.134 -12.267 5.436 1.00 0.00 C ATOM 1016 O VAL A 77 2.033 -13.491 5.327 1.00 0.00 O ATOM 1017 CB VAL A 77 4.292 -10.987 5.489 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.867 -12.125 6.318 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.381 -10.334 4.652 1.00 0.00 C ATOM 0 H VAL A 77 2.879 -9.469 4.095 1.00 0.00 H new ATOM 0 HA VAL A 77 3.560 -12.149 3.827 1.00 0.00 H new ATOM 0 HB VAL A 77 3.887 -10.239 6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.676 -11.747 6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.085 -12.546 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.253 -12.899 5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.182 -9.986 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.780 -11.060 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.963 -9.487 4.108 1.00 0.00 H new ATOM 1029 N GLU A 78 1.381 -11.545 6.269 1.00 0.00 N ATOM 1030 CA GLU A 78 0.365 -12.166 7.126 1.00 0.00 C ATOM 1031 C GLU A 78 -0.783 -12.751 6.291 1.00 0.00 C ATOM 1032 O GLU A 78 -1.323 -13.814 6.612 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.179 -11.143 8.129 1.00 0.00 C ATOM 1034 CG GLU A 78 0.892 -10.552 9.038 1.00 0.00 C ATOM 1035 CD GLU A 78 0.395 -9.362 9.835 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -0.384 -9.570 10.788 1.00 0.00 O ATOM 1037 OE2 GLU A 78 0.786 -8.222 9.504 1.00 0.00 O ATOM 0 H GLU A 78 1.454 -10.533 6.369 1.00 0.00 H new ATOM 0 HA GLU A 78 0.837 -12.983 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.667 -10.335 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.943 -11.620 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.244 -11.322 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.747 -10.248 8.434 1.00 0.00 H new ATOM 1044 N GLN A 79 -1.154 -12.050 5.220 1.00 0.00 N ATOM 1045 CA GLN A 79 -2.233 -12.497 4.338 1.00 0.00 C ATOM 1046 C GLN A 79 -1.798 -13.710 3.508 1.00 0.00 C ATOM 1047 O GLN A 79 -2.477 -14.740 3.498 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.674 -11.348 3.417 1.00 0.00 C ATOM 1049 CG GLN A 79 -4.071 -10.823 3.728 1.00 0.00 C ATOM 1050 CD GLN A 79 -4.676 -10.045 2.577 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -4.816 -8.825 2.642 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -5.050 -10.746 1.515 1.00 0.00 N ATOM 0 H GLN A 79 -0.723 -11.169 4.941 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.078 -12.798 4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.959 -10.529 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.645 -11.690 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.722 -11.661 3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.026 -10.183 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.917 -11.757 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.470 -10.274 0.714 1.00 0.00 H new ATOM 1061 N LEU A 80 -0.657 -13.574 2.822 1.00 0.00 N ATOM 1062 CA LEU A 80 -0.098 -14.638 1.980 1.00 0.00 C ATOM 1063 C LEU A 80 -1.016 -14.964 0.797 1.00 0.00 C ATOM 1064 O LEU A 80 -0.674 -14.692 -0.355 1.00 0.00 O ATOM 1065 CB LEU A 80 0.173 -15.899 2.813 1.00 0.00 C ATOM 1066 CG LEU A 80 1.429 -16.676 2.418 1.00 0.00 C ATOM 1067 CD1 LEU A 80 2.648 -16.118 3.133 1.00 0.00 C ATOM 1068 CD2 LEU A 80 1.261 -18.154 2.732 1.00 0.00 C ATOM 0 H LEU A 80 -0.095 -12.723 2.835 1.00 0.00 H new ATOM 0 HA LEU A 80 0.847 -14.275 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.256 -15.613 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.688 -16.563 2.731 1.00 0.00 H new ATOM 0 HG LEU A 80 1.578 -16.565 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.532 -16.683 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.781 -15.070 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.507 -16.199 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.164 -18.692 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.087 -18.282 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.411 -18.550 2.176 1.00 0.00 H new ATOM 1080 N GLU A 81 -2.180 -15.537 1.095 1.00 0.00 N ATOM 1081 CA GLU A 81 -3.157 -15.898 0.069 1.00 0.00 C ATOM 1082 C GLU A 81 -4.563 -15.447 0.468 1.00 0.00 C ATOM 1083 O GLU A 81 -5.278 -14.844 -0.333 1.00 0.00 O ATOM 1084 CB GLU A 81 -3.132 -17.410 -0.179 1.00 0.00 C ATOM 1085 CG GLU A 81 -2.170 -17.826 -1.284 1.00 0.00 C ATOM 1086 CD GLU A 81 -2.579 -19.115 -1.966 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -3.555 -19.086 -2.744 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -1.923 -20.148 -1.727 1.00 0.00 O ATOM 0 H GLU A 81 -2.471 -15.763 2.046 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.887 -15.385 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.854 -17.918 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.137 -17.745 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.112 -17.030 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.171 -17.944 -0.864 1.00 0.00 H new ATOM 1095 N GLU A 82 -4.949 -15.737 1.711 1.00 0.00 N ATOM 1096 CA GLU A 82 -6.267 -15.357 2.217 1.00 0.00 C ATOM 1097 C GLU A 82 -6.210 -15.009 3.709 1.00 0.00 C ATOM 1098 O GLU A 82 -6.490 -13.873 4.105 1.00 0.00 O ATOM 1099 CB GLU A 82 -7.266 -16.491 1.970 1.00 0.00 C ATOM 1100 CG GLU A 82 -8.585 -16.020 1.372 1.00 0.00 C ATOM 1101 CD GLU A 82 -9.256 -14.950 2.204 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -9.553 -15.216 3.388 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -9.478 -13.841 1.679 1.00 0.00 O ATOM 0 H GLU A 82 -4.367 -16.234 2.385 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.596 -14.467 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.814 -17.223 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.465 -17.001 2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.407 -15.635 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.258 -16.872 1.272 1.00 0.00 H new ATOM 1110 N SER A 83 -5.839 -15.997 4.531 1.00 0.00 N ATOM 1111 CA SER A 83 -5.733 -15.812 5.984 1.00 0.00 C ATOM 1112 C SER A 83 -7.115 -15.682 6.639 1.00 0.00 C ATOM 1113 O SER A 83 -7.495 -16.520 7.462 1.00 0.00 O ATOM 1114 CB SER A 83 -4.862 -14.591 6.313 1.00 0.00 C ATOM 1115 OG SER A 83 -3.779 -14.949 7.159 1.00 0.00 O ATOM 0 H SER A 83 -5.606 -16.938 4.213 1.00 0.00 H new ATOM 0 HA SER A 83 -5.255 -16.701 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.478 -14.155 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.470 -13.827 6.798 1.00 0.00 H new ATOM 0 HG SER A 83 -2.963 -14.499 6.855 1.00 0.00 H new ATOM 1121 N ARG A 84 -7.866 -14.637 6.271 1.00 0.00 N ATOM 1122 CA ARG A 84 -9.206 -14.412 6.827 1.00 0.00 C ATOM 1123 C ARG A 84 -9.867 -13.165 6.224 1.00 0.00 C ATOM 1124 O ARG A 84 -10.167 -12.205 6.935 1.00 0.00 O ATOM 1125 CB ARG A 84 -9.144 -14.289 8.359 1.00 0.00 C ATOM 1126 CG ARG A 84 -7.963 -13.474 8.870 1.00 0.00 C ATOM 1127 CD ARG A 84 -7.006 -14.333 9.681 1.00 0.00 C ATOM 1128 NE ARG A 84 -7.337 -14.320 11.110 1.00 0.00 N ATOM 1129 CZ ARG A 84 -6.972 -13.363 11.955 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -6.284 -12.321 11.528 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -7.309 -13.444 13.229 1.00 0.00 N ATOM 0 H ARG A 84 -7.570 -13.935 5.592 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.817 -15.276 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.068 -13.832 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.096 -15.288 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.432 -13.032 8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.326 -12.651 9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.035 -15.358 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.987 -13.973 9.541 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.884 -15.098 11.479 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.029 -12.247 10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.007 -11.590 12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.850 -14.242 13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.029 -12.709 13.878 1.00 0.00 H new ATOM 1145 N GLN A 85 -10.100 -13.197 4.911 1.00 0.00 N ATOM 1146 CA GLN A 85 -10.733 -12.084 4.191 1.00 0.00 C ATOM 1147 C GLN A 85 -10.118 -10.733 4.580 1.00 0.00 C ATOM 1148 O GLN A 85 -10.783 -9.884 5.179 1.00 0.00 O ATOM 1149 CB GLN A 85 -12.246 -12.083 4.449 1.00 0.00 C ATOM 1150 CG GLN A 85 -13.075 -11.785 3.206 1.00 0.00 C ATOM 1151 CD GLN A 85 -12.957 -10.343 2.748 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -12.241 -10.040 1.792 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -13.655 -9.443 3.422 1.00 0.00 N ATOM 0 H GLN A 85 -9.858 -13.990 4.317 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.553 -12.228 3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.539 -13.054 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.475 -11.342 5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.758 -12.444 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.121 -12.011 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -14.237 -9.733 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.611 -8.459 3.155 1.00 0.00 H new ATOM 1162 N ARG A 86 -8.843 -10.548 4.224 1.00 0.00 N ATOM 1163 CA ARG A 86 -8.105 -9.312 4.517 1.00 0.00 C ATOM 1164 C ARG A 86 -7.739 -9.211 6.001 1.00 0.00 C ATOM 1165 O ARG A 86 -8.583 -9.389 6.880 1.00 0.00 O ATOM 1166 CB ARG A 86 -8.906 -8.075 4.086 1.00 0.00 C ATOM 1167 CG ARG A 86 -8.739 -7.722 2.615 1.00 0.00 C ATOM 1168 CD ARG A 86 -9.878 -8.282 1.778 1.00 0.00 C ATOM 1169 NE ARG A 86 -9.774 -7.869 0.375 1.00 0.00 N ATOM 1170 CZ ARG A 86 -10.584 -8.284 -0.594 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -11.574 -9.120 -0.337 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -10.403 -7.852 -1.825 1.00 0.00 N ATOM 0 H ARG A 86 -8.293 -11.248 3.726 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.180 -9.348 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.962 -8.247 4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.598 -7.223 4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.700 -6.639 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.790 -8.115 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.873 -9.370 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.830 -7.945 2.187 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.029 -7.219 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.724 -9.455 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.188 -9.430 -1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.644 -7.202 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.022 -8.167 -2.572 1.00 0.00 H new ATOM 1186 N LEU A 87 -6.465 -8.918 6.270 1.00 0.00 N ATOM 1187 CA LEU A 87 -5.973 -8.784 7.644 1.00 0.00 C ATOM 1188 C LEU A 87 -6.369 -7.430 8.245 1.00 0.00 C ATOM 1189 O LEU A 87 -6.714 -7.342 9.425 1.00 0.00 O ATOM 1190 CB LEU A 87 -4.447 -8.952 7.674 1.00 0.00 C ATOM 1191 CG LEU A 87 -3.782 -8.684 9.029 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -3.499 -9.988 9.753 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -2.498 -7.892 8.843 1.00 0.00 C ATOM 0 H LEU A 87 -5.754 -8.769 5.554 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.432 -9.567 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.204 -9.968 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.010 -8.281 6.935 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.468 -8.095 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.027 -9.776 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.434 -10.523 9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.832 -10.603 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.039 -7.710 9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.809 -8.458 8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.724 -6.939 8.365 1.00 0.00 H new ATOM 1205 N SER A 88 -6.314 -6.382 7.425 1.00 0.00 N ATOM 1206 CA SER A 88 -6.667 -5.033 7.868 1.00 0.00 C ATOM 1207 C SER A 88 -7.867 -4.488 7.086 1.00 0.00 C ATOM 1208 O SER A 88 -8.547 -5.229 6.373 1.00 0.00 O ATOM 1209 CB SER A 88 -5.465 -4.096 7.712 1.00 0.00 C ATOM 1210 OG SER A 88 -5.717 -2.840 8.322 1.00 0.00 O ATOM 0 H SER A 88 -6.028 -6.441 6.448 1.00 0.00 H new ATOM 0 HA SER A 88 -6.946 -5.085 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.583 -4.552 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.246 -3.953 6.654 1.00 0.00 H new ATOM 0 HG SER A 88 -4.935 -2.260 8.211 1.00 0.00 H new ATOM 1216 N ARG A 89 -8.120 -3.189 7.227 1.00 0.00 N ATOM 1217 CA ARG A 89 -9.233 -2.533 6.540 1.00 0.00 C ATOM 1218 C ARG A 89 -8.769 -1.864 5.244 1.00 0.00 C ATOM 1219 O ARG A 89 -7.662 -1.283 5.233 1.00 0.00 O ATOM 1220 CB ARG A 89 -9.882 -1.495 7.461 1.00 0.00 C ATOM 1221 CG ARG A 89 -11.312 -1.833 7.856 1.00 0.00 C ATOM 1222 CD ARG A 89 -11.775 -0.993 9.034 1.00 0.00 C ATOM 1223 NE ARG A 89 -13.234 -0.888 9.096 1.00 0.00 N ATOM 1224 CZ ARG A 89 -13.890 -0.064 9.903 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -13.232 0.729 10.727 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -15.207 -0.035 9.886 1.00 0.00 N ATOM 0 H ARG A 89 -7.566 -2.565 7.814 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.967 -3.297 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.279 -1.397 8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.872 -0.525 6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.975 -1.667 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.380 -2.890 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.404 -1.432 9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.343 0.005 8.959 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.782 -1.487 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.212 0.711 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.743 1.360 11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.722 -0.646 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.711 0.598 10.506 1.00 0.00 H new TER 1240 ARG A 89