USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 367 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 44 HIS : no HE2:sc= -3.95! C(o=-4.8!,f=-10!) USER MOD Set 1.2: A 47 CYS SG : rot -114:sc= -0.829 USER MOD Single : A 1 ARG N :NH3+ 158:sc=-0.00146 (180deg=-0.233) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 11 GLN : amide:sc= -0.933 K(o=-0.93,f=-0.23) USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= -0.799! (180deg=-2.32!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.923 K(o=-0.92,f=-0.38) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -71:sc= 1.04 USER MOD Single : A 35 GLN : amide:sc= 0.0661 X(o=0.066,f=-0.075) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 43:sc= 0.837 USER MOD Single : A 39 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.18) USER MOD Single : A 40 SER OG : rot -58:sc= 0.867 USER MOD Single : A 46 ASN : amide:sc= -3.96 X(o=-4,f=-3.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.231) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -20.972 14.104 14.814 1.00 0.00 N ATOM 2 CA ARG A 1 -19.720 14.816 15.010 1.00 0.00 C ATOM 3 C ARG A 1 -19.084 15.152 13.660 1.00 0.00 C ATOM 4 O ARG A 1 -17.939 14.785 13.401 1.00 0.00 O ATOM 5 CB ARG A 1 -18.738 13.983 15.836 1.00 0.00 C ATOM 6 CG ARG A 1 -18.341 12.705 15.094 1.00 0.00 C ATOM 7 CD ARG A 1 -16.835 12.671 14.826 1.00 0.00 C ATOM 8 NE ARG A 1 -16.128 12.079 15.984 1.00 0.00 N ATOM 9 CZ ARG A 1 -16.045 10.762 16.219 1.00 0.00 C ATOM 10 NH1 ARG A 1 -16.623 9.893 15.378 1.00 0.00 N ATOM 11 NH2 ARG A 1 -15.384 10.314 17.295 1.00 0.00 N ATOM 0 H1 ARG A 1 -21.204 13.566 15.673 1.00 0.00 H new ATOM 0 H2 ARG A 1 -21.732 14.786 14.617 1.00 0.00 H new ATOM 0 H3 ARG A 1 -20.877 13.450 14.011 1.00 0.00 H new ATOM 0 HA ARG A 1 -19.942 15.737 15.550 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -17.848 14.573 16.052 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.190 13.726 16.794 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -18.629 11.834 15.683 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -18.883 12.645 14.150 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -16.630 12.088 13.928 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -16.467 13.680 14.642 1.00 0.00 H new ATOM 0 HE ARG A 1 -15.676 12.712 16.644 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -17.126 10.234 14.559 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -16.560 8.891 15.557 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -14.944 10.975 17.935 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -15.321 9.312 17.474 1.00 0.00 H new ATOM 22 N ILE A 2 -19.854 15.846 12.835 1.00 0.00 N ATOM 23 CA ILE A 2 -19.380 16.236 11.518 1.00 0.00 C ATOM 24 C ILE A 2 -18.038 16.959 11.658 1.00 0.00 C ATOM 25 O ILE A 2 -17.832 17.715 12.606 1.00 0.00 O ATOM 26 CB ILE A 2 -20.445 17.053 10.785 1.00 0.00 C ATOM 27 CG1 ILE A 2 -20.859 18.277 11.604 1.00 0.00 C ATOM 28 CG2 ILE A 2 -21.646 16.179 10.414 1.00 0.00 C ATOM 29 CD1 ILE A 2 -19.982 19.484 11.267 1.00 0.00 C ATOM 0 H ILE A 2 -20.803 16.148 13.053 1.00 0.00 H new ATOM 0 HA ILE A 2 -19.206 15.356 10.899 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.013 17.421 9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -21.904 18.515 11.405 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -20.780 18.051 12.667 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.389 16.784 9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -21.319 15.368 9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -22.087 15.763 11.320 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.297 20.341 11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -18.941 19.251 11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.082 19.722 10.208 1.00 0.00 H new ATOM 40 N TYR A 3 -17.162 16.703 10.698 1.00 0.00 N ATOM 41 CA TYR A 3 -15.846 17.321 10.703 1.00 0.00 C ATOM 42 C TYR A 3 -15.497 17.875 9.320 1.00 0.00 C ATOM 43 O TYR A 3 -14.339 17.834 8.905 1.00 0.00 O ATOM 44 CB TYR A 3 -14.858 16.207 11.057 1.00 0.00 C ATOM 45 CG TYR A 3 -13.920 16.554 12.214 1.00 0.00 C ATOM 46 CD1 TYR A 3 -14.411 16.637 13.501 1.00 0.00 C ATOM 47 CD2 TYR A 3 -12.580 16.785 11.971 1.00 0.00 C ATOM 48 CE1 TYR A 3 -13.527 16.964 14.590 1.00 0.00 C ATOM 49 CE2 TYR A 3 -11.697 17.111 13.059 1.00 0.00 C ATOM 50 CZ TYR A 3 -12.213 17.184 14.315 1.00 0.00 C ATOM 51 OH TYR A 3 -11.378 17.493 15.344 1.00 0.00 O ATOM 0 H TYR A 3 -17.337 16.077 9.912 1.00 0.00 H new ATOM 0 HA TYR A 3 -15.813 18.149 11.411 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -15.417 15.307 11.313 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.261 15.971 10.176 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.459 16.457 13.692 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -12.195 16.721 10.964 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.899 17.033 15.602 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.647 17.294 12.882 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.469 17.622 15.000 1.00 0.00 H new ATOM 60 N LYS A 4 -16.518 18.379 8.643 1.00 0.00 N ATOM 61 CA LYS A 4 -16.334 18.940 7.316 1.00 0.00 C ATOM 62 C LYS A 4 -15.416 18.024 6.503 1.00 0.00 C ATOM 63 O LYS A 4 -14.659 18.492 5.655 1.00 0.00 O ATOM 64 CB LYS A 4 -15.835 20.384 7.410 1.00 0.00 C ATOM 65 CG LYS A 4 -16.489 21.260 6.339 1.00 0.00 C ATOM 66 CD LYS A 4 -17.071 22.534 6.955 1.00 0.00 C ATOM 67 CE LYS A 4 -18.511 22.308 7.420 1.00 0.00 C ATOM 68 NZ LYS A 4 -19.040 23.525 8.077 1.00 0.00 N ATOM 0 H LYS A 4 -17.477 18.410 8.989 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.286 18.989 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.057 20.786 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.752 20.407 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.753 21.522 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.279 20.700 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.457 22.848 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.043 23.342 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.138 22.046 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.548 21.468 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.018 23.355 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.451 23.758 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.023 24.318 7.404 1.00 0.00 H new ATOM 78 N GLY A 5 -15.516 16.735 6.790 1.00 0.00 N ATOM 79 CA GLY A 5 -14.705 15.748 6.096 1.00 0.00 C ATOM 80 C GLY A 5 -15.446 14.415 5.977 1.00 0.00 C ATOM 81 O GLY A 5 -14.830 13.378 5.740 1.00 0.00 O ATOM 0 H GLY A 5 -16.146 16.350 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.449 16.116 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.768 15.600 6.632 1.00 0.00 H new ATOM 85 N VAL A 6 -16.758 14.486 6.146 1.00 0.00 N ATOM 86 CA VAL A 6 -17.590 13.298 6.062 1.00 0.00 C ATOM 87 C VAL A 6 -17.403 12.648 4.689 1.00 0.00 C ATOM 88 O VAL A 6 -16.455 12.963 3.972 1.00 0.00 O ATOM 89 CB VAL A 6 -19.047 13.656 6.360 1.00 0.00 C ATOM 90 CG1 VAL A 6 -19.176 14.336 7.725 1.00 0.00 C ATOM 91 CG2 VAL A 6 -19.634 14.534 5.253 1.00 0.00 C ATOM 0 H VAL A 6 -17.266 15.349 6.341 1.00 0.00 H new ATOM 0 HA VAL A 6 -17.290 12.567 6.813 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.620 12.729 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.222 14.580 7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -18.816 13.662 8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -18.583 15.250 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -20.671 14.774 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -19.057 15.456 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -19.593 13.999 4.304 1.00 0.00 H new ATOM 101 N ILE A 7 -18.324 11.752 4.363 1.00 0.00 N ATOM 102 CA ILE A 7 -18.273 11.056 3.090 1.00 0.00 C ATOM 103 C ILE A 7 -18.886 11.942 2.003 1.00 0.00 C ATOM 104 O ILE A 7 -18.295 12.125 0.940 1.00 0.00 O ATOM 105 CB ILE A 7 -18.933 9.680 3.204 1.00 0.00 C ATOM 106 CG1 ILE A 7 -20.420 9.811 3.540 1.00 0.00 C ATOM 107 CG2 ILE A 7 -18.193 8.801 4.214 1.00 0.00 C ATOM 108 CD1 ILE A 7 -21.095 8.439 3.583 1.00 0.00 C ATOM 0 H ILE A 7 -19.110 11.493 4.960 1.00 0.00 H new ATOM 0 HA ILE A 7 -17.239 10.866 2.802 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.865 9.186 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -20.536 10.308 4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -20.911 10.439 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -18.682 7.829 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -17.160 8.668 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -18.210 9.279 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -22.151 8.560 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -20.998 7.955 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -20.618 7.822 4.345 1.00 0.00 H new ATOM 119 N GLN A 8 -20.063 12.469 2.308 1.00 0.00 N ATOM 120 CA GLN A 8 -20.762 13.332 1.371 1.00 0.00 C ATOM 121 C GLN A 8 -19.882 14.524 0.989 1.00 0.00 C ATOM 122 O GLN A 8 -20.055 15.112 -0.077 1.00 0.00 O ATOM 123 CB GLN A 8 -22.099 13.801 1.949 1.00 0.00 C ATOM 124 CG GLN A 8 -21.883 14.792 3.095 1.00 0.00 C ATOM 125 CD GLN A 8 -22.966 15.874 3.093 1.00 0.00 C ATOM 126 OE1 GLN A 8 -24.144 15.610 2.926 1.00 0.00 O ATOM 127 NE2 GLN A 8 -22.500 17.105 3.290 1.00 0.00 N ATOM 0 H GLN A 8 -20.550 12.315 3.191 1.00 0.00 H new ATOM 0 HA GLN A 8 -20.975 12.758 0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -22.694 14.270 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -22.666 12.942 2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.895 14.261 4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.901 15.255 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.500 17.257 3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -23.143 17.897 3.308 1.00 0.00 H new ATOM 134 N ALA A 9 -18.955 14.845 1.881 1.00 0.00 N ATOM 135 CA ALA A 9 -18.048 15.956 1.650 1.00 0.00 C ATOM 136 C ALA A 9 -17.592 15.942 0.190 1.00 0.00 C ATOM 137 O ALA A 9 -17.279 16.989 -0.376 1.00 0.00 O ATOM 138 CB ALA A 9 -16.875 15.869 2.628 1.00 0.00 C ATOM 0 H ALA A 9 -18.813 14.355 2.764 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.552 16.906 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.194 16.703 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.250 15.913 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.344 14.929 2.476 1.00 0.00 H new ATOM 144 N ILE A 10 -17.569 14.746 -0.377 1.00 0.00 N ATOM 145 CA ILE A 10 -17.156 14.581 -1.761 1.00 0.00 C ATOM 146 C ILE A 10 -17.881 15.610 -2.630 1.00 0.00 C ATOM 147 O ILE A 10 -17.409 15.957 -3.712 1.00 0.00 O ATOM 148 CB ILE A 10 -17.367 13.136 -2.215 1.00 0.00 C ATOM 149 CG1 ILE A 10 -18.824 12.708 -2.024 1.00 0.00 C ATOM 150 CG2 ILE A 10 -16.394 12.191 -1.507 1.00 0.00 C ATOM 151 CD1 ILE A 10 -18.923 11.204 -1.759 1.00 0.00 C ATOM 0 H ILE A 10 -17.830 13.881 0.096 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.088 14.770 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.152 13.079 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.262 13.257 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.401 12.963 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.565 11.170 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.370 12.484 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.553 12.245 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.969 10.926 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.506 10.657 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.365 10.956 -0.856 1.00 0.00 H new ATOM 162 N GLN A 11 -19.015 16.071 -2.124 1.00 0.00 N ATOM 163 CA GLN A 11 -19.809 17.054 -2.842 1.00 0.00 C ATOM 164 C GLN A 11 -18.917 18.186 -3.355 1.00 0.00 C ATOM 165 O GLN A 11 -19.286 18.900 -4.286 1.00 0.00 O ATOM 166 CB GLN A 11 -20.934 17.600 -1.959 1.00 0.00 C ATOM 167 CG GLN A 11 -20.455 18.803 -1.142 1.00 0.00 C ATOM 168 CD GLN A 11 -20.926 20.115 -1.771 1.00 0.00 C ATOM 169 OE1 GLN A 11 -22.109 20.385 -1.895 1.00 0.00 O ATOM 170 NE2 GLN A 11 -19.936 20.915 -2.158 1.00 0.00 N ATOM 0 H GLN A 11 -19.403 15.782 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 11 -20.269 16.564 -3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -21.780 17.892 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -21.287 16.817 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -20.833 18.728 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -19.367 18.795 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.966 20.628 -2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.147 21.816 -2.588 1.00 0.00 H new ATOM 177 N LYS A 12 -17.758 18.315 -2.725 1.00 0.00 N ATOM 178 CA LYS A 12 -16.810 19.348 -3.107 1.00 0.00 C ATOM 179 C LYS A 12 -16.682 19.379 -4.631 1.00 0.00 C ATOM 180 O LYS A 12 -16.451 20.436 -5.216 1.00 0.00 O ATOM 181 CB LYS A 12 -15.478 19.146 -2.382 1.00 0.00 C ATOM 182 CG LYS A 12 -14.907 17.754 -2.663 1.00 0.00 C ATOM 183 CD LYS A 12 -14.390 17.104 -1.377 1.00 0.00 C ATOM 184 CE LYS A 12 -13.774 18.149 -0.444 1.00 0.00 C ATOM 185 NZ LYS A 12 -14.713 18.487 0.647 1.00 0.00 N ATOM 0 H LYS A 12 -17.454 17.722 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.170 20.329 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.766 19.907 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.620 19.275 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.677 17.124 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.097 17.829 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.208 16.594 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.646 16.346 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.843 17.767 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.525 19.047 -1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.754 19.520 0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.660 18.127 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.386 18.052 1.533 1.00 0.00 H new ATOM 195 N SER A 13 -16.839 18.208 -5.230 1.00 0.00 N ATOM 196 CA SER A 13 -16.744 18.088 -6.675 1.00 0.00 C ATOM 197 C SER A 13 -17.787 18.986 -7.344 1.00 0.00 C ATOM 198 O SER A 13 -17.538 19.544 -8.411 1.00 0.00 O ATOM 199 CB SER A 13 -16.930 16.636 -7.120 1.00 0.00 C ATOM 200 OG SER A 13 -15.802 16.152 -7.845 1.00 0.00 O ATOM 0 H SER A 13 -17.031 17.334 -4.741 1.00 0.00 H new ATOM 0 HA SER A 13 -15.748 18.409 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.096 16.007 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.822 16.559 -7.742 1.00 0.00 H new ATOM 0 HG SER A 13 -15.958 15.222 -8.110 1.00 0.00 H new ATOM 205 N ASP A 14 -18.933 19.097 -6.689 1.00 0.00 N ATOM 206 CA ASP A 14 -20.015 19.918 -7.207 1.00 0.00 C ATOM 207 C ASP A 14 -19.643 21.394 -7.064 1.00 0.00 C ATOM 208 O ASP A 14 -20.076 22.227 -7.859 1.00 0.00 O ATOM 209 CB ASP A 14 -21.309 19.679 -6.427 1.00 0.00 C ATOM 210 CG ASP A 14 -21.668 18.208 -6.205 1.00 0.00 C ATOM 211 OD1 ASP A 14 -21.516 17.434 -7.175 1.00 0.00 O ATOM 212 OD2 ASP A 14 -22.087 17.891 -5.070 1.00 0.00 O ATOM 0 H ASP A 14 -19.136 18.632 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.169 19.652 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.226 20.168 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.130 20.162 -6.958 1.00 0.00 H new ATOM 216 N GLU A 15 -18.843 21.674 -6.044 1.00 0.00 N ATOM 217 CA GLU A 15 -18.409 23.036 -5.787 1.00 0.00 C ATOM 218 C GLU A 15 -17.624 23.578 -6.984 1.00 0.00 C ATOM 219 O GLU A 15 -17.904 24.673 -7.470 1.00 0.00 O ATOM 220 CB GLU A 15 -17.575 23.112 -4.505 1.00 0.00 C ATOM 221 CG GLU A 15 -18.293 23.935 -3.433 1.00 0.00 C ATOM 222 CD GLU A 15 -17.408 24.118 -2.199 1.00 0.00 C ATOM 223 OE1 GLU A 15 -17.133 23.092 -1.541 1.00 0.00 O ATOM 224 OE2 GLU A 15 -17.027 25.281 -1.941 1.00 0.00 O ATOM 0 H GLU A 15 -18.485 20.981 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.293 23.658 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.385 22.106 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.605 23.559 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.564 24.910 -3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.221 23.439 -3.149 1.00 0.00 H new ATOM 229 N GLY A 16 -16.657 22.787 -7.424 1.00 0.00 N ATOM 230 CA GLY A 16 -15.830 23.173 -8.555 1.00 0.00 C ATOM 231 C GLY A 16 -15.566 24.680 -8.550 1.00 0.00 C ATOM 232 O GLY A 16 -16.223 25.431 -9.269 1.00 0.00 O ATOM 0 H GLY A 16 -16.427 21.880 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.883 22.634 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.323 22.889 -9.485 1.00 0.00 H new ATOM 236 N HIS A 17 -14.602 25.078 -7.733 1.00 0.00 N ATOM 237 CA HIS A 17 -14.242 26.481 -7.626 1.00 0.00 C ATOM 238 C HIS A 17 -13.063 26.637 -6.664 1.00 0.00 C ATOM 239 O HIS A 17 -12.004 27.129 -7.049 1.00 0.00 O ATOM 240 CB HIS A 17 -15.455 27.323 -7.221 1.00 0.00 C ATOM 241 CG HIS A 17 -15.967 28.229 -8.315 1.00 0.00 C ATOM 242 ND1 HIS A 17 -16.904 29.222 -8.089 1.00 0.00 N ATOM 243 CD2 HIS A 17 -15.662 28.282 -9.644 1.00 0.00 C ATOM 244 CE1 HIS A 17 -17.146 29.838 -9.236 1.00 0.00 C ATOM 245 NE2 HIS A 17 -16.375 29.255 -10.199 1.00 0.00 N ATOM 0 H HIS A 17 -14.059 24.452 -7.138 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.922 26.854 -8.599 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -16.259 26.656 -6.909 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.190 27.930 -6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.960 27.641 -10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -17.833 30.658 -9.383 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.350 29.522 -11.183 1.00 0.00 H new ATOM 253 N PRO A 18 -13.293 26.199 -5.398 1.00 0.00 N ATOM 254 CA PRO A 18 -12.263 26.285 -4.377 1.00 0.00 C ATOM 255 C PRO A 18 -11.191 25.216 -4.589 1.00 0.00 C ATOM 256 O PRO A 18 -11.507 24.060 -4.867 1.00 0.00 O ATOM 257 CB PRO A 18 -13.002 26.132 -3.058 1.00 0.00 C ATOM 258 CG PRO A 18 -14.343 25.504 -3.402 1.00 0.00 C ATOM 259 CD PRO A 18 -14.536 25.612 -4.905 1.00 0.00 C ATOM 0 HA PRO A 18 -11.720 27.230 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.442 25.502 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.136 27.098 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.368 24.461 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.150 26.014 -2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.717 24.634 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.394 26.238 -5.150 1.00 0.00 H new ATOM 264 N PHE A 19 -9.942 25.639 -4.451 1.00 0.00 N ATOM 265 CA PHE A 19 -8.821 24.732 -4.624 1.00 0.00 C ATOM 266 C PHE A 19 -8.536 23.959 -3.334 1.00 0.00 C ATOM 267 O PHE A 19 -8.496 22.730 -3.339 1.00 0.00 O ATOM 268 CB PHE A 19 -7.602 25.588 -4.970 1.00 0.00 C ATOM 269 CG PHE A 19 -6.630 24.922 -5.946 1.00 0.00 C ATOM 270 CD1 PHE A 19 -6.068 23.723 -5.634 1.00 0.00 C ATOM 271 CD2 PHE A 19 -6.326 25.528 -7.125 1.00 0.00 C ATOM 272 CE1 PHE A 19 -5.167 23.103 -6.539 1.00 0.00 C ATOM 273 CE2 PHE A 19 -5.423 24.909 -8.030 1.00 0.00 C ATOM 274 CZ PHE A 19 -4.863 23.710 -7.717 1.00 0.00 C ATOM 0 H PHE A 19 -9.683 26.598 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.046 24.009 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.943 26.530 -5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.069 25.831 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.308 23.242 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.771 26.480 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.723 22.150 -6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.181 25.390 -8.966 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.176 23.239 -8.405 1.00 0.00 H new ATOM 283 N ARG A 20 -8.346 24.712 -2.261 1.00 0.00 N ATOM 284 CA ARG A 20 -8.066 24.114 -0.967 1.00 0.00 C ATOM 285 C ARG A 20 -9.179 23.137 -0.582 1.00 0.00 C ATOM 286 O ARG A 20 -8.945 22.184 0.159 1.00 0.00 O ATOM 287 CB ARG A 20 -7.939 25.184 0.120 1.00 0.00 C ATOM 288 CG ARG A 20 -8.968 26.297 -0.084 1.00 0.00 C ATOM 289 CD ARG A 20 -10.386 25.787 0.183 1.00 0.00 C ATOM 290 NE ARG A 20 -11.077 26.689 1.133 1.00 0.00 N ATOM 291 CZ ARG A 20 -12.220 26.382 1.764 1.00 0.00 C ATOM 292 NH1 ARG A 20 -12.806 25.197 1.548 1.00 0.00 N ATOM 293 NH2 ARG A 20 -12.775 27.261 2.608 1.00 0.00 N ATOM 0 H ARG A 20 -8.380 25.731 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.119 23.580 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.079 24.730 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.934 25.606 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.745 27.130 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.900 26.678 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.944 25.733 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.348 24.777 0.590 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.658 27.600 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.383 24.529 0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.675 24.963 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.329 28.164 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.644 27.028 3.088 1.00 0.00 H new ATOM 304 N ALA A 21 -10.367 23.407 -1.104 1.00 0.00 N ATOM 305 CA ALA A 21 -11.517 22.564 -0.824 1.00 0.00 C ATOM 306 C ALA A 21 -11.214 21.132 -1.268 1.00 0.00 C ATOM 307 O ALA A 21 -11.659 20.175 -0.637 1.00 0.00 O ATOM 308 CB ALA A 21 -12.753 23.140 -1.517 1.00 0.00 C ATOM 0 H ALA A 21 -10.558 24.198 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.724 22.541 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.616 22.508 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.942 24.147 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.583 23.176 -2.593 1.00 0.00 H new ATOM 314 N TYR A 22 -10.457 21.029 -2.350 1.00 0.00 N ATOM 315 CA TYR A 22 -10.088 19.730 -2.886 1.00 0.00 C ATOM 316 C TYR A 22 -8.986 19.082 -2.045 1.00 0.00 C ATOM 317 O TYR A 22 -8.978 17.867 -1.855 1.00 0.00 O ATOM 318 CB TYR A 22 -9.549 19.992 -4.294 1.00 0.00 C ATOM 319 CG TYR A 22 -8.317 19.160 -4.654 1.00 0.00 C ATOM 320 CD1 TYR A 22 -7.070 19.548 -4.211 1.00 0.00 C ATOM 321 CD2 TYR A 22 -8.453 18.021 -5.421 1.00 0.00 C ATOM 322 CE1 TYR A 22 -5.909 18.765 -4.550 1.00 0.00 C ATOM 323 CE2 TYR A 22 -7.293 17.238 -5.760 1.00 0.00 C ATOM 324 CZ TYR A 22 -6.078 17.648 -5.307 1.00 0.00 C ATOM 325 OH TYR A 22 -4.983 16.909 -5.626 1.00 0.00 O ATOM 0 H TYR A 22 -10.089 21.825 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.946 19.057 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.338 19.786 -5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.300 21.049 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.964 20.439 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -9.430 17.717 -5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.927 19.059 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.386 16.345 -6.361 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.254 16.140 -6.169 1.00 0.00 H new ATOM 334 N LEU A 23 -8.084 19.922 -1.562 1.00 0.00 N ATOM 335 CA LEU A 23 -6.979 19.447 -0.745 1.00 0.00 C ATOM 336 C LEU A 23 -7.534 18.669 0.450 1.00 0.00 C ATOM 337 O LEU A 23 -7.066 17.572 0.752 1.00 0.00 O ATOM 338 CB LEU A 23 -6.065 20.608 -0.351 1.00 0.00 C ATOM 339 CG LEU A 23 -5.451 20.534 1.048 1.00 0.00 C ATOM 340 CD1 LEU A 23 -4.256 21.482 1.174 1.00 0.00 C ATOM 341 CD2 LEU A 23 -6.506 20.796 2.125 1.00 0.00 C ATOM 0 H LEU A 23 -8.095 20.930 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.353 18.759 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.256 20.670 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.634 21.534 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.077 19.522 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.838 21.410 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.495 21.207 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.583 22.506 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.043 20.737 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.932 21.789 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.296 20.048 2.050 1.00 0.00 H new ATOM 352 N GLU A 24 -8.524 19.266 1.097 1.00 0.00 N ATOM 353 CA GLU A 24 -9.147 18.642 2.252 1.00 0.00 C ATOM 354 C GLU A 24 -9.590 17.217 1.911 1.00 0.00 C ATOM 355 O GLU A 24 -9.668 16.361 2.791 1.00 0.00 O ATOM 356 CB GLU A 24 -10.326 19.477 2.756 1.00 0.00 C ATOM 357 CG GLU A 24 -10.359 19.511 4.286 1.00 0.00 C ATOM 358 CD GLU A 24 -11.682 18.958 4.818 1.00 0.00 C ATOM 359 OE1 GLU A 24 -12.731 19.505 4.412 1.00 0.00 O ATOM 360 OE2 GLU A 24 -11.616 18.002 5.620 1.00 0.00 O ATOM 0 H GLU A 24 -8.910 20.175 0.843 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.411 18.590 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.249 20.493 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.259 19.060 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.530 18.926 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.223 20.535 4.634 1.00 0.00 H new ATOM 365 N SER A 25 -9.868 17.008 0.633 1.00 0.00 N ATOM 366 CA SER A 25 -10.300 15.702 0.166 1.00 0.00 C ATOM 367 C SER A 25 -9.279 14.637 0.569 1.00 0.00 C ATOM 368 O SER A 25 -9.594 13.448 0.596 1.00 0.00 O ATOM 369 CB SER A 25 -10.500 15.698 -1.351 1.00 0.00 C ATOM 370 OG SER A 25 -11.343 14.630 -1.776 1.00 0.00 O ATOM 0 H SER A 25 -9.803 17.721 -0.094 1.00 0.00 H new ATOM 0 HA SER A 25 -11.258 15.472 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.934 16.648 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.532 15.614 -1.844 1.00 0.00 H new ATOM 0 HG SER A 25 -11.447 14.663 -2.750 1.00 0.00 H new ATOM 375 N GLU A 26 -8.076 15.101 0.875 1.00 0.00 N ATOM 376 CA GLU A 26 -7.007 14.204 1.276 1.00 0.00 C ATOM 377 C GLU A 26 -7.422 13.402 2.511 1.00 0.00 C ATOM 378 O GLU A 26 -7.162 12.202 2.593 1.00 0.00 O ATOM 379 CB GLU A 26 -5.711 14.975 1.533 1.00 0.00 C ATOM 380 CG GLU A 26 -5.921 16.062 2.589 1.00 0.00 C ATOM 381 CD GLU A 26 -5.021 17.270 2.319 1.00 0.00 C ATOM 382 OE1 GLU A 26 -4.270 17.207 1.321 1.00 0.00 O ATOM 383 OE2 GLU A 26 -5.103 18.229 3.117 1.00 0.00 O ATOM 0 H GLU A 26 -7.819 16.088 0.853 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.820 13.506 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.933 14.287 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.362 15.427 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.965 16.375 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.707 15.659 3.579 1.00 0.00 H new ATOM 388 N VAL A 27 -8.062 14.096 3.440 1.00 0.00 N ATOM 389 CA VAL A 27 -8.515 13.464 4.667 1.00 0.00 C ATOM 390 C VAL A 27 -9.734 12.590 4.365 1.00 0.00 C ATOM 391 O VAL A 27 -9.894 11.517 4.945 1.00 0.00 O ATOM 392 CB VAL A 27 -8.790 14.526 5.733 1.00 0.00 C ATOM 393 CG1 VAL A 27 -10.180 15.140 5.550 1.00 0.00 C ATOM 394 CG2 VAL A 27 -8.628 13.947 7.140 1.00 0.00 C ATOM 0 H VAL A 27 -8.278 15.090 3.368 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.739 12.813 5.070 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.054 15.320 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.350 15.892 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.245 15.607 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.936 14.359 5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.829 14.723 7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.330 13.124 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.609 13.580 7.268 1.00 0.00 H new ATOM 404 N ALA A 28 -10.564 13.083 3.457 1.00 0.00 N ATOM 405 CA ALA A 28 -11.765 12.360 3.071 1.00 0.00 C ATOM 406 C ALA A 28 -11.373 10.992 2.510 1.00 0.00 C ATOM 407 O ALA A 28 -12.063 10.001 2.745 1.00 0.00 O ATOM 408 CB ALA A 28 -12.562 13.196 2.066 1.00 0.00 C ATOM 0 H ALA A 28 -10.429 13.973 2.978 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.406 12.190 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.463 12.655 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.840 14.146 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.951 13.383 1.183 1.00 0.00 H new ATOM 414 N ILE A 29 -10.268 10.981 1.780 1.00 0.00 N ATOM 415 CA ILE A 29 -9.776 9.751 1.184 1.00 0.00 C ATOM 416 C ILE A 29 -9.045 8.930 2.249 1.00 0.00 C ATOM 417 O ILE A 29 -9.083 7.701 2.225 1.00 0.00 O ATOM 418 CB ILE A 29 -8.925 10.056 -0.050 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.583 10.672 0.349 1.00 0.00 C ATOM 420 CG2 ILE A 29 -9.689 10.937 -1.039 1.00 0.00 C ATOM 421 CD1 ILE A 29 -6.536 10.462 -0.747 1.00 0.00 C ATOM 0 H ILE A 29 -9.699 11.805 1.588 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.606 9.142 0.826 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.710 9.116 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.710 11.738 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.235 10.224 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.061 11.139 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.596 10.423 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.955 11.878 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.591 10.909 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.394 9.394 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.876 10.932 -1.670 1.00 0.00 H new ATOM 432 N SER A 30 -8.396 9.644 3.158 1.00 0.00 N ATOM 433 CA SER A 30 -7.657 8.997 4.229 1.00 0.00 C ATOM 434 C SER A 30 -8.569 8.027 4.982 1.00 0.00 C ATOM 435 O SER A 30 -8.179 6.896 5.265 1.00 0.00 O ATOM 436 CB SER A 30 -7.067 10.029 5.192 1.00 0.00 C ATOM 437 OG SER A 30 -7.964 10.341 6.254 1.00 0.00 O ATOM 0 H SER A 30 -8.367 10.663 3.175 1.00 0.00 H new ATOM 0 HA SER A 30 -6.831 8.439 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.134 9.647 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.824 10.939 4.644 1.00 0.00 H new ATOM 0 HG SER A 30 -8.713 10.868 5.905 1.00 0.00 H new ATOM 442 N GLU A 31 -9.767 8.507 5.286 1.00 0.00 N ATOM 443 CA GLU A 31 -10.738 7.696 6.001 1.00 0.00 C ATOM 444 C GLU A 31 -11.159 6.497 5.150 1.00 0.00 C ATOM 445 O GLU A 31 -11.397 5.411 5.675 1.00 0.00 O ATOM 446 CB GLU A 31 -11.952 8.531 6.412 1.00 0.00 C ATOM 447 CG GLU A 31 -12.999 8.563 5.295 1.00 0.00 C ATOM 448 CD GLU A 31 -13.939 7.359 5.391 1.00 0.00 C ATOM 449 OE1 GLU A 31 -14.724 7.328 6.363 1.00 0.00 O ATOM 450 OE2 GLU A 31 -13.850 6.497 4.489 1.00 0.00 O ATOM 0 H GLU A 31 -10.087 9.447 5.050 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.270 7.322 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.394 8.116 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.636 9.547 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.576 9.486 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.502 8.564 4.325 1.00 0.00 H new ATOM 455 N GLU A 32 -11.237 6.734 3.849 1.00 0.00 N ATOM 456 CA GLU A 32 -11.625 5.687 2.919 1.00 0.00 C ATOM 457 C GLU A 32 -10.479 4.689 2.736 1.00 0.00 C ATOM 458 O GLU A 32 -10.673 3.483 2.879 1.00 0.00 O ATOM 459 CB GLU A 32 -12.058 6.278 1.576 1.00 0.00 C ATOM 460 CG GLU A 32 -13.566 6.125 1.371 1.00 0.00 C ATOM 461 CD GLU A 32 -14.122 7.265 0.514 1.00 0.00 C ATOM 462 OE1 GLU A 32 -14.034 8.421 0.983 1.00 0.00 O ATOM 463 OE2 GLU A 32 -14.621 6.955 -0.588 1.00 0.00 O ATOM 0 H GLU A 32 -11.038 7.636 3.417 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.481 5.156 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.787 7.333 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.525 5.780 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.776 5.169 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.069 6.114 2.338 1.00 0.00 H new ATOM 468 N LEU A 33 -9.312 5.230 2.421 1.00 0.00 N ATOM 469 CA LEU A 33 -8.135 4.402 2.216 1.00 0.00 C ATOM 470 C LEU A 33 -7.982 3.439 3.395 1.00 0.00 C ATOM 471 O LEU A 33 -7.853 2.231 3.202 1.00 0.00 O ATOM 472 CB LEU A 33 -6.903 5.274 1.970 1.00 0.00 C ATOM 473 CG LEU A 33 -5.818 4.666 1.078 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.195 3.433 1.737 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.363 4.356 -0.317 1.00 0.00 C ATOM 0 H LEU A 33 -9.156 6.231 2.303 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.249 3.793 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.230 6.212 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.458 5.519 2.934 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.024 5.403 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.427 3.020 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.747 3.717 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.967 2.683 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.571 3.925 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.186 3.646 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.721 5.275 -0.781 1.00 0.00 H new ATOM 486 N VAL A 34 -8.001 4.012 4.590 1.00 0.00 N ATOM 487 CA VAL A 34 -7.865 3.220 5.801 1.00 0.00 C ATOM 488 C VAL A 34 -8.934 2.125 5.811 1.00 0.00 C ATOM 489 O VAL A 34 -8.690 1.019 6.292 1.00 0.00 O ATOM 490 CB VAL A 34 -7.928 4.129 7.030 1.00 0.00 C ATOM 491 CG1 VAL A 34 -6.889 5.248 6.938 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.335 4.700 7.218 1.00 0.00 C ATOM 0 H VAL A 34 -8.108 5.014 4.745 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.894 2.726 5.828 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.692 3.525 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.955 5.880 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.891 4.814 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.079 5.849 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.352 5.342 8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.612 5.282 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.044 3.883 7.351 1.00 0.00 H new ATOM 502 N GLN A 35 -10.095 2.471 5.276 1.00 0.00 N ATOM 503 CA GLN A 35 -11.202 1.532 5.218 1.00 0.00 C ATOM 504 C GLN A 35 -10.893 0.408 4.226 1.00 0.00 C ATOM 505 O GLN A 35 -11.439 -0.689 4.336 1.00 0.00 O ATOM 506 CB GLN A 35 -12.506 2.243 4.851 1.00 0.00 C ATOM 507 CG GLN A 35 -13.341 2.536 6.100 1.00 0.00 C ATOM 508 CD GLN A 35 -14.433 3.565 5.801 1.00 0.00 C ATOM 509 OE1 GLN A 35 -15.069 3.548 4.759 1.00 0.00 O ATOM 510 NE2 GLN A 35 -14.614 4.458 6.768 1.00 0.00 N ATOM 0 H GLN A 35 -10.293 3.389 4.878 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.332 1.093 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.283 3.175 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.081 1.624 4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.795 1.614 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.694 2.907 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.047 4.415 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.320 5.187 6.664 1.00 0.00 H new ATOM 517 N LYS A 36 -10.019 0.720 3.281 1.00 0.00 N ATOM 518 CA LYS A 36 -9.630 -0.250 2.271 1.00 0.00 C ATOM 519 C LYS A 36 -8.980 -1.456 2.952 1.00 0.00 C ATOM 520 O LYS A 36 -9.096 -2.581 2.470 1.00 0.00 O ATOM 521 CB LYS A 36 -8.746 0.407 1.209 1.00 0.00 C ATOM 522 CG LYS A 36 -9.426 1.645 0.618 1.00 0.00 C ATOM 523 CD LYS A 36 -10.750 1.275 -0.053 1.00 0.00 C ATOM 524 CE LYS A 36 -11.904 1.315 0.949 1.00 0.00 C ATOM 525 NZ LYS A 36 -13.017 2.138 0.426 1.00 0.00 N ATOM 0 H LYS A 36 -9.569 1.631 3.193 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.507 -0.618 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.790 0.689 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.532 -0.309 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.605 2.377 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.764 2.115 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.951 1.965 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.675 0.278 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.255 0.303 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.556 1.724 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.792 2.154 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.682 3.108 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.360 1.731 -0.467 1.00 0.00 H new ATOM 535 N TYR A 37 -8.311 -1.179 4.062 1.00 0.00 N ATOM 536 CA TYR A 37 -7.643 -2.228 4.814 1.00 0.00 C ATOM 537 C TYR A 37 -8.516 -3.481 4.902 1.00 0.00 C ATOM 538 O TYR A 37 -8.005 -4.590 5.048 1.00 0.00 O ATOM 539 CB TYR A 37 -7.431 -1.668 6.221 1.00 0.00 C ATOM 540 CG TYR A 37 -8.588 -1.946 7.183 1.00 0.00 C ATOM 541 CD1 TYR A 37 -9.827 -1.384 6.951 1.00 0.00 C ATOM 542 CD2 TYR A 37 -8.393 -2.758 8.281 1.00 0.00 C ATOM 543 CE1 TYR A 37 -10.916 -1.645 7.856 1.00 0.00 C ATOM 544 CE2 TYR A 37 -9.482 -3.021 9.186 1.00 0.00 C ATOM 545 CZ TYR A 37 -10.690 -2.451 8.929 1.00 0.00 C ATOM 546 OH TYR A 37 -11.719 -2.698 9.783 1.00 0.00 O ATOM 0 H TYR A 37 -8.217 -0.244 4.458 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.707 -2.510 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.517 -2.093 6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.279 -0.591 6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.980 -0.749 6.091 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.423 -3.197 8.462 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.890 -1.211 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.343 -3.656 10.048 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.413 -3.290 10.502 1.00 0.00 H new ATOM 555 N SER A 38 -9.820 -3.263 4.810 1.00 0.00 N ATOM 556 CA SER A 38 -10.769 -4.360 4.879 1.00 0.00 C ATOM 557 C SER A 38 -10.429 -5.414 3.822 1.00 0.00 C ATOM 558 O SER A 38 -10.560 -6.611 4.070 1.00 0.00 O ATOM 559 CB SER A 38 -12.203 -3.861 4.686 1.00 0.00 C ATOM 560 OG SER A 38 -12.792 -3.442 5.915 1.00 0.00 O ATOM 0 H SER A 38 -10.241 -2.342 4.688 1.00 0.00 H new ATOM 0 HA SER A 38 -10.699 -4.810 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.206 -3.030 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.807 -4.655 4.246 1.00 0.00 H new ATOM 0 HG SER A 38 -12.139 -2.924 6.431 1.00 0.00 H new ATOM 565 N ASN A 39 -9.997 -4.930 2.667 1.00 0.00 N ATOM 566 CA ASN A 39 -9.636 -5.814 1.573 1.00 0.00 C ATOM 567 C ASN A 39 -8.329 -6.533 1.914 1.00 0.00 C ATOM 568 O ASN A 39 -8.100 -7.657 1.471 1.00 0.00 O ATOM 569 CB ASN A 39 -9.420 -5.029 0.278 1.00 0.00 C ATOM 570 CG ASN A 39 -10.639 -5.142 -0.641 1.00 0.00 C ATOM 571 OD1 ASN A 39 -11.131 -6.220 -0.932 1.00 0.00 O ATOM 572 ND2 ASN A 39 -11.095 -3.974 -1.081 1.00 0.00 N ATOM 0 H ASN A 39 -9.889 -3.936 2.465 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.450 -6.525 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.231 -3.981 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.536 -5.405 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.904 -3.943 -1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.636 -3.108 -0.798 1.00 0.00 H new ATOM 578 N SER A 40 -7.504 -5.853 2.697 1.00 0.00 N ATOM 579 CA SER A 40 -6.225 -6.411 3.102 1.00 0.00 C ATOM 580 C SER A 40 -6.441 -7.741 3.826 1.00 0.00 C ATOM 581 O SER A 40 -5.490 -8.484 4.065 1.00 0.00 O ATOM 582 CB SER A 40 -5.458 -5.438 3.999 1.00 0.00 C ATOM 583 OG SER A 40 -5.849 -5.549 5.364 1.00 0.00 O ATOM 0 H SER A 40 -7.697 -4.920 3.062 1.00 0.00 H new ATOM 0 HA SER A 40 -5.629 -6.584 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.389 -5.630 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.627 -4.418 3.655 1.00 0.00 H new ATOM 0 HG SER A 40 -6.810 -5.376 5.444 1.00 0.00 H new ATOM 588 N ALA A 41 -7.698 -8.003 4.154 1.00 0.00 N ATOM 589 CA ALA A 41 -8.052 -9.231 4.846 1.00 0.00 C ATOM 590 C ALA A 41 -7.548 -10.429 4.038 1.00 0.00 C ATOM 591 O ALA A 41 -7.146 -11.442 4.609 1.00 0.00 O ATOM 592 CB ALA A 41 -9.564 -9.273 5.071 1.00 0.00 C ATOM 0 H ALA A 41 -8.484 -7.385 3.953 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.576 -9.271 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.829 -10.194 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.866 -8.417 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.076 -9.238 4.109 1.00 0.00 H new ATOM 598 N LEU A 42 -7.586 -10.273 2.724 1.00 0.00 N ATOM 599 CA LEU A 42 -7.139 -11.330 1.832 1.00 0.00 C ATOM 600 C LEU A 42 -5.860 -11.956 2.391 1.00 0.00 C ATOM 601 O LEU A 42 -5.900 -13.029 2.989 1.00 0.00 O ATOM 602 CB LEU A 42 -6.991 -10.799 0.405 1.00 0.00 C ATOM 603 CG LEU A 42 -8.198 -10.047 -0.160 1.00 0.00 C ATOM 604 CD1 LEU A 42 -7.770 -8.727 -0.804 1.00 0.00 C ATOM 605 CD2 LEU A 42 -8.988 -10.928 -1.130 1.00 0.00 C ATOM 0 H LEU A 42 -7.919 -9.431 2.255 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.885 -12.123 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.127 -10.135 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.771 -11.640 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.864 -9.801 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.647 -8.213 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.285 -8.098 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.072 -8.928 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.840 -10.370 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.344 -11.227 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.343 -11.816 -0.608 1.00 0.00 H new ATOM 616 N GLY A 43 -4.755 -11.258 2.176 1.00 0.00 N ATOM 617 CA GLY A 43 -3.465 -11.731 2.651 1.00 0.00 C ATOM 618 C GLY A 43 -2.540 -10.560 2.984 1.00 0.00 C ATOM 619 O GLY A 43 -1.325 -10.731 3.077 1.00 0.00 O ATOM 0 H GLY A 43 -4.726 -10.368 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.605 -12.352 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.002 -12.360 1.891 1.00 0.00 H new ATOM 623 N HIS A 44 -3.149 -9.396 3.156 1.00 0.00 N ATOM 624 CA HIS A 44 -2.394 -8.196 3.477 1.00 0.00 C ATOM 625 C HIS A 44 -1.901 -7.539 2.186 1.00 0.00 C ATOM 626 O HIS A 44 -0.966 -8.028 1.554 1.00 0.00 O ATOM 627 CB HIS A 44 -1.259 -8.514 4.453 1.00 0.00 C ATOM 628 CG HIS A 44 -0.853 -7.348 5.323 1.00 0.00 C ATOM 629 ND1 HIS A 44 -0.890 -7.398 6.706 1.00 0.00 N ATOM 630 CD2 HIS A 44 -0.403 -6.105 4.994 1.00 0.00 C ATOM 631 CE1 HIS A 44 -0.478 -6.230 7.177 1.00 0.00 C ATOM 632 NE2 HIS A 44 -0.177 -5.429 6.114 1.00 0.00 N ATOM 0 H HIS A 44 -4.157 -9.258 3.079 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.040 -7.479 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.565 -9.342 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.391 -8.852 3.887 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -1.184 -8.198 7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.255 -5.732 3.991 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.395 -5.959 8.219 1.00 0.00 H new ATOM 640 N VAL A 45 -2.552 -6.440 1.834 1.00 0.00 N ATOM 641 CA VAL A 45 -2.192 -5.710 0.630 1.00 0.00 C ATOM 642 C VAL A 45 -2.572 -4.238 0.798 1.00 0.00 C ATOM 643 O VAL A 45 -1.734 -3.354 0.630 1.00 0.00 O ATOM 644 CB VAL A 45 -2.844 -6.362 -0.592 1.00 0.00 C ATOM 645 CG1 VAL A 45 -4.369 -6.312 -0.490 1.00 0.00 C ATOM 646 CG2 VAL A 45 -2.359 -5.707 -1.887 1.00 0.00 C ATOM 0 H VAL A 45 -3.327 -6.037 2.361 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.115 -5.750 0.466 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.543 -7.410 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.808 -6.782 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.691 -6.845 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.696 -5.274 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.837 -6.189 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.616 -4.648 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.278 -5.817 -1.968 1.00 0.00 H new ATOM 656 N ASN A 46 -3.837 -4.021 1.126 1.00 0.00 N ATOM 657 CA ASN A 46 -4.339 -2.671 1.317 1.00 0.00 C ATOM 658 C ASN A 46 -3.698 -2.066 2.568 1.00 0.00 C ATOM 659 O ASN A 46 -3.458 -0.861 2.625 1.00 0.00 O ATOM 660 CB ASN A 46 -5.856 -2.671 1.517 1.00 0.00 C ATOM 661 CG ASN A 46 -6.567 -2.038 0.319 1.00 0.00 C ATOM 662 OD1 ASN A 46 -6.440 -0.856 0.043 1.00 0.00 O ATOM 663 ND2 ASN A 46 -7.318 -2.888 -0.375 1.00 0.00 N ATOM 0 H ASN A 46 -4.529 -4.757 1.264 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.092 -2.090 0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.208 -3.693 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.107 -2.122 2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.832 -2.563 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.380 -3.865 -0.089 1.00 0.00 H new ATOM 669 N CYS A 47 -3.440 -2.930 3.539 1.00 0.00 N ATOM 670 CA CYS A 47 -2.832 -2.496 4.785 1.00 0.00 C ATOM 671 C CYS A 47 -1.514 -1.791 4.456 1.00 0.00 C ATOM 672 O CYS A 47 -1.087 -0.896 5.183 1.00 0.00 O ATOM 673 CB CYS A 47 -2.627 -3.664 5.751 1.00 0.00 C ATOM 674 SG CYS A 47 -1.658 -3.113 7.203 1.00 0.00 S ATOM 0 H CYS A 47 -3.641 -3.929 3.488 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.499 -1.800 5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.593 -4.053 6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.108 -4.478 5.245 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.507 -3.718 7.212 1.00 0.00 H new ATOM 679 N THR A 48 -0.906 -2.221 3.359 1.00 0.00 N ATOM 680 CA THR A 48 0.353 -1.643 2.926 1.00 0.00 C ATOM 681 C THR A 48 0.119 -0.272 2.288 1.00 0.00 C ATOM 682 O THR A 48 0.949 0.627 2.418 1.00 0.00 O ATOM 683 CB THR A 48 1.034 -2.641 1.986 1.00 0.00 C ATOM 684 OG1 THR A 48 2.042 -3.245 2.792 1.00 0.00 O ATOM 685 CG2 THR A 48 1.815 -1.953 0.866 1.00 0.00 C ATOM 0 H THR A 48 -1.263 -2.963 2.758 1.00 0.00 H new ATOM 0 HA THR A 48 1.017 -1.465 3.772 1.00 0.00 H new ATOM 0 HB THR A 48 0.282 -3.300 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.532 -3.907 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.278 -2.707 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.136 -1.342 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.589 -1.319 1.299 1.00 0.00 H new ATOM 693 N ILE A 49 -1.014 -0.155 1.613 1.00 0.00 N ATOM 694 CA ILE A 49 -1.369 1.091 0.954 1.00 0.00 C ATOM 695 C ILE A 49 -1.764 2.125 2.010 1.00 0.00 C ATOM 696 O ILE A 49 -1.432 3.303 1.885 1.00 0.00 O ATOM 697 CB ILE A 49 -2.447 0.851 -0.105 1.00 0.00 C ATOM 698 CG1 ILE A 49 -1.854 0.186 -1.348 1.00 0.00 C ATOM 699 CG2 ILE A 49 -3.182 2.149 -0.443 1.00 0.00 C ATOM 700 CD1 ILE A 49 -0.711 -0.760 -0.974 1.00 0.00 C ATOM 0 H ILE A 49 -1.699 -0.903 1.508 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.512 1.494 0.415 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.185 0.163 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.632 -0.368 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.488 0.950 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.943 1.950 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.657 2.543 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.471 2.880 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.308 -1.219 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.076 -0.199 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.085 -1.537 -0.308 1.00 0.00 H new ATOM 711 N LYS A 50 -2.468 1.648 3.026 1.00 0.00 N ATOM 712 CA LYS A 50 -2.912 2.517 4.103 1.00 0.00 C ATOM 713 C LYS A 50 -1.718 3.311 4.638 1.00 0.00 C ATOM 714 O LYS A 50 -1.869 4.454 5.065 1.00 0.00 O ATOM 715 CB LYS A 50 -3.643 1.710 5.176 1.00 0.00 C ATOM 716 CG LYS A 50 -2.653 0.956 6.067 1.00 0.00 C ATOM 717 CD LYS A 50 -2.640 1.533 7.484 1.00 0.00 C ATOM 718 CE LYS A 50 -3.774 0.944 8.325 1.00 0.00 C ATOM 719 NZ LYS A 50 -4.888 1.911 8.442 1.00 0.00 N ATOM 0 H LYS A 50 -2.742 0.671 3.126 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.637 3.242 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.251 2.378 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.324 1.002 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.922 -0.100 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.653 1.016 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.682 1.320 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.740 2.617 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.132 0.021 7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.403 0.686 9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.527 1.614 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.507 2.855 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.414 1.945 7.545 1.00 0.00 H new ATOM 729 N GLU A 51 -0.558 2.672 4.596 1.00 0.00 N ATOM 730 CA GLU A 51 0.662 3.304 5.071 1.00 0.00 C ATOM 731 C GLU A 51 0.881 4.638 4.356 1.00 0.00 C ATOM 732 O GLU A 51 1.421 5.578 4.940 1.00 0.00 O ATOM 733 CB GLU A 51 1.867 2.379 4.887 1.00 0.00 C ATOM 734 CG GLU A 51 1.674 1.068 5.653 1.00 0.00 C ATOM 735 CD GLU A 51 2.892 0.760 6.526 1.00 0.00 C ATOM 736 OE1 GLU A 51 4.016 1.014 6.042 1.00 0.00 O ATOM 737 OE2 GLU A 51 2.671 0.277 7.658 1.00 0.00 O ATOM 0 H GLU A 51 -0.437 1.724 4.241 1.00 0.00 H new ATOM 0 HA GLU A 51 0.555 3.499 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.009 2.168 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.770 2.879 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.782 1.135 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.511 0.252 4.949 1.00 0.00 H new ATOM 742 N LEU A 52 0.451 4.681 3.104 1.00 0.00 N ATOM 743 CA LEU A 52 0.593 5.886 2.304 1.00 0.00 C ATOM 744 C LEU A 52 -0.138 7.039 2.993 1.00 0.00 C ATOM 745 O LEU A 52 0.451 8.089 3.246 1.00 0.00 O ATOM 746 CB LEU A 52 0.129 5.632 0.868 1.00 0.00 C ATOM 747 CG LEU A 52 0.961 4.634 0.060 1.00 0.00 C ATOM 748 CD1 LEU A 52 0.314 4.356 -1.299 1.00 0.00 C ATOM 749 CD2 LEU A 52 2.407 5.112 -0.080 1.00 0.00 C ATOM 0 H LEU A 52 0.004 3.900 2.623 1.00 0.00 H new ATOM 0 HA LEU A 52 1.642 6.174 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.901 5.276 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.122 6.583 0.336 1.00 0.00 H new ATOM 0 HG LEU A 52 0.986 3.690 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.925 3.644 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.682 3.940 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.238 5.286 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.976 4.384 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.424 6.075 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.853 5.218 0.909 1.00 0.00 H new ATOM 760 N ARG A 53 -1.411 6.807 3.276 1.00 0.00 N ATOM 761 CA ARG A 53 -2.229 7.814 3.930 1.00 0.00 C ATOM 762 C ARG A 53 -1.845 7.931 5.407 1.00 0.00 C ATOM 763 O ARG A 53 -1.778 9.034 5.949 1.00 0.00 O ATOM 764 CB ARG A 53 -3.716 7.471 3.823 1.00 0.00 C ATOM 765 CG ARG A 53 -4.084 7.069 2.393 1.00 0.00 C ATOM 766 CD ARG A 53 -3.656 8.146 1.394 1.00 0.00 C ATOM 767 NE ARG A 53 -4.148 9.470 1.836 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.815 10.629 1.251 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.987 10.633 0.198 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.310 11.783 1.720 1.00 0.00 N ATOM 0 H ARG A 53 -1.897 5.935 3.064 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.050 8.764 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.955 6.656 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.314 8.330 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.603 6.123 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.160 6.909 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.570 8.163 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.051 7.914 0.405 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.780 9.502 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.610 9.754 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.733 11.515 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.940 11.779 2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.057 12.665 1.275 1.00 0.00 H new ATOM 781 N ARG A 54 -1.601 6.780 6.016 1.00 0.00 N ATOM 782 CA ARG A 54 -1.226 6.740 7.420 1.00 0.00 C ATOM 783 C ARG A 54 0.130 6.052 7.587 1.00 0.00 C ATOM 784 O ARG A 54 1.099 6.678 8.013 1.00 0.00 O ATOM 785 CB ARG A 54 -2.274 5.995 8.249 1.00 0.00 C ATOM 786 CG ARG A 54 -3.008 6.951 9.191 1.00 0.00 C ATOM 787 CD ARG A 54 -4.026 6.198 10.051 1.00 0.00 C ATOM 788 NE ARG A 54 -4.040 6.755 11.423 1.00 0.00 N ATOM 789 CZ ARG A 54 -5.043 6.581 12.293 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.121 5.865 11.941 1.00 0.00 N ATOM 791 NH2 ARG A 54 -4.971 7.123 13.516 1.00 0.00 N ATOM 0 H ARG A 54 -1.656 5.868 5.563 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.162 7.768 7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.991 5.511 7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.792 5.207 8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.288 7.459 9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.516 7.721 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.018 6.277 9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.774 5.138 10.083 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.236 7.305 11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.177 5.452 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.884 5.733 12.604 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.152 7.668 13.785 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.735 6.990 14.178 1.00 0.00 H new TER 802 ARG A 54