USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 75 GLN : amide:sc= -1.1 K(o=-1.4,f=-0.65) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.32 K(o=-1.4,f=-0.74) USER MOD Set 2.1: A 72 ASN : amide:sc= 0.0744 K(o=0.16,f=-1) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.0831 K(o=0.16,f=-0.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.01 (180deg=0.272!) USER MOD Single : A 3 HIS : no HD1:sc= -0.404 X(o=-0.4,f=0.089) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 6 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.836 K(o=-0.84,f=-0.23) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.0678 K(o=0.068,f=-1.1) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -47:sc= 0.357 USER MOD Single : A 22 MET CE :methyl -162:sc= -0.136 (180deg=-0.642) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -88:sc= 1.28 USER MOD Single : A 34 THR OG1 : rot 99:sc= 0.86 USER MOD Single : A 36 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.21) USER MOD Single : A 44 TYR OH : rot -130:sc= -0.566 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 0.53 (180deg=0.286) USER MOD Single : A 53 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.62) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.522) USER MOD Single : A 57 GLN : amide:sc= -3.14! C(o=-3.1!,f=-2!) USER MOD Single : A 59 SER OG : rot -169:sc= 0.757 USER MOD Single : A 60 CYS SG : rot 12:sc= -3.14! USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.83 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= 0.695 (180deg=-0.7) USER MOD Single : A 77 MET CE :methyl 153:sc= -0.0964 (180deg=-0.603) USER MOD Single : A 81 TYR OH : rot 150:sc= 0.57 USER MOD Single : A 90 GLN : amide:sc= -2.85 X(o=-2.9,f=-2.4) USER MOD Single : A 92 MET CE :methyl -163:sc= -0.0816 (180deg=-0.448) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.139 43.607 1.157 1.00 51.43 N ATOM 2 CA MET A 1 5.076 43.677 0.137 1.00 1.40 C ATOM 3 C MET A 1 4.176 42.445 0.270 1.00 33.53 C ATOM 4 O MET A 1 4.604 41.328 -0.047 1.00 63.32 O ATOM 5 CB MET A 1 5.673 43.773 -1.296 1.00 33.11 C ATOM 6 CG MET A 1 6.617 44.967 -1.520 1.00 0.33 C ATOM 7 SD MET A 1 8.137 44.840 -0.549 1.00 30.41 S ATOM 8 CE MET A 1 8.960 46.377 -0.969 1.00 62.11 C ATOM 0 H1 MET A 1 6.969 44.141 0.830 1.00 51.43 H new ATOM 0 H2 MET A 1 5.793 44.016 2.048 1.00 51.43 H new ATOM 0 H3 MET A 1 6.406 42.614 1.313 1.00 51.43 H new ATOM 0 HA MET A 1 4.486 44.579 0.300 1.00 1.40 H new ATOM 0 HB2 MET A 1 6.216 42.853 -1.511 1.00 33.11 H new ATOM 0 HB3 MET A 1 4.854 43.835 -2.013 1.00 33.11 H new ATOM 0 HG2 MET A 1 6.870 45.032 -2.578 1.00 0.33 H new ATOM 0 HG3 MET A 1 6.099 45.890 -1.259 1.00 0.33 H new ATOM 0 HE1 MET A 1 9.912 46.436 -0.442 1.00 62.11 H new ATOM 0 HE2 MET A 1 9.137 46.413 -2.044 1.00 62.11 H new ATOM 0 HE3 MET A 1 8.331 47.218 -0.677 1.00 62.11 H new ATOM 20 N GLY A 2 2.953 42.657 0.785 1.00 14.30 N ATOM 21 CA GLY A 2 1.964 41.597 0.922 1.00 3.55 C ATOM 22 C GLY A 2 1.307 41.259 -0.416 1.00 12.23 C ATOM 23 O GLY A 2 0.424 41.989 -0.879 1.00 63.01 O ATOM 0 H GLY A 2 2.632 43.567 1.114 1.00 14.30 H new ATOM 0 HA2 GLY A 2 2.441 40.705 1.329 1.00 3.55 H new ATOM 0 HA3 GLY A 2 1.199 41.903 1.636 1.00 3.55 H new ATOM 27 N HIS A 3 1.784 40.176 -1.055 1.00 4.02 N ATOM 28 CA HIS A 3 1.188 39.640 -2.294 1.00 10.33 C ATOM 29 C HIS A 3 -0.130 38.935 -1.931 1.00 14.41 C ATOM 30 O HIS A 3 -0.114 37.895 -1.264 1.00 24.30 O ATOM 31 CB HIS A 3 2.167 38.666 -3.001 1.00 0.21 C ATOM 32 CG HIS A 3 3.393 39.305 -3.593 1.00 61.54 C ATOM 33 ND1 HIS A 3 3.756 39.148 -4.911 1.00 53.22 N ATOM 34 CD2 HIS A 3 4.362 40.068 -3.035 1.00 31.03 C ATOM 35 CE1 HIS A 3 4.885 39.779 -5.131 1.00 44.14 C ATOM 36 NE2 HIS A 3 5.274 40.345 -4.011 1.00 54.33 N ATOM 0 H HIS A 3 2.593 39.647 -0.728 1.00 4.02 H new ATOM 0 HA HIS A 3 0.988 40.453 -2.991 1.00 10.33 H new ATOM 0 HB2 HIS A 3 2.483 37.909 -2.283 1.00 0.21 H new ATOM 0 HB3 HIS A 3 1.628 38.148 -3.794 1.00 0.21 H new ATOM 0 HD2 HIS A 3 4.405 40.397 -2.007 1.00 31.03 H new ATOM 0 HE1 HIS A 3 5.407 39.825 -6.075 1.00 44.14 H new ATOM 0 HE2 HIS A 3 6.120 40.901 -3.891 1.00 54.33 H new ATOM 45 N HIS A 4 -1.261 39.537 -2.355 1.00 12.15 N ATOM 46 CA HIS A 4 -2.617 39.150 -1.913 1.00 72.31 C ATOM 47 C HIS A 4 -3.000 37.719 -2.359 1.00 73.40 C ATOM 48 O HIS A 4 -3.695 37.012 -1.621 1.00 42.14 O ATOM 49 CB HIS A 4 -3.660 40.194 -2.411 1.00 22.21 C ATOM 50 CG HIS A 4 -5.078 39.924 -1.958 1.00 54.34 C ATOM 51 ND1 HIS A 4 -6.085 39.549 -2.820 1.00 32.51 N ATOM 52 CD2 HIS A 4 -5.649 39.975 -0.728 1.00 60.12 C ATOM 53 CE1 HIS A 4 -7.201 39.379 -2.146 1.00 62.34 C ATOM 54 NE2 HIS A 4 -6.966 39.634 -0.877 1.00 11.35 N ATOM 0 H HIS A 4 -1.259 40.311 -3.019 1.00 12.15 H new ATOM 0 HA HIS A 4 -2.617 39.141 -0.823 1.00 72.31 H new ATOM 0 HB2 HIS A 4 -3.362 41.183 -2.062 1.00 22.21 H new ATOM 0 HB3 HIS A 4 -3.638 40.221 -3.500 1.00 22.21 H new ATOM 0 HD2 HIS A 4 -5.156 40.236 0.197 1.00 60.12 H new ATOM 0 HE1 HIS A 4 -8.151 39.080 -2.564 1.00 62.34 H new ATOM 0 HE2 HIS A 4 -7.654 39.585 -0.126 1.00 11.35 H new ATOM 63 N HIS A 5 -2.555 37.300 -3.557 1.00 70.52 N ATOM 64 CA HIS A 5 -2.836 35.943 -4.079 1.00 53.20 C ATOM 65 C HIS A 5 -1.661 35.003 -3.734 1.00 2.12 C ATOM 66 O HIS A 5 -1.696 34.311 -2.710 1.00 11.52 O ATOM 67 CB HIS A 5 -3.118 35.988 -5.613 1.00 75.33 C ATOM 68 CG HIS A 5 -3.679 34.707 -6.197 1.00 1.44 C ATOM 69 ND1 HIS A 5 -5.009 34.559 -6.539 1.00 14.24 N ATOM 70 CD2 HIS A 5 -3.089 33.529 -6.510 1.00 50.05 C ATOM 71 CE1 HIS A 5 -5.206 33.353 -7.029 1.00 11.12 C ATOM 72 NE2 HIS A 5 -4.060 32.714 -7.020 1.00 62.34 N ATOM 0 H HIS A 5 -1.998 37.879 -4.185 1.00 70.52 H new ATOM 0 HA HIS A 5 -3.735 35.550 -3.604 1.00 53.20 H new ATOM 0 HB2 HIS A 5 -3.817 36.799 -5.815 1.00 75.33 H new ATOM 0 HB3 HIS A 5 -2.190 36.230 -6.131 1.00 75.33 H new ATOM 0 HD2 HIS A 5 -2.046 33.280 -6.381 1.00 50.05 H new ATOM 0 HE1 HIS A 5 -6.148 32.958 -7.378 1.00 11.12 H new ATOM 0 HE2 HIS A 5 -3.916 31.757 -7.343 1.00 62.34 H new ATOM 81 N HIS A 6 -0.599 35.042 -4.567 1.00 71.43 N ATOM 82 CA HIS A 6 0.546 34.117 -4.486 1.00 62.31 C ATOM 83 C HIS A 6 1.642 34.716 -3.592 1.00 52.00 C ATOM 84 O HIS A 6 2.264 35.713 -3.961 1.00 43.22 O ATOM 85 CB HIS A 6 1.098 33.846 -5.920 1.00 3.41 C ATOM 86 CG HIS A 6 2.258 32.864 -5.995 1.00 64.31 C ATOM 87 ND1 HIS A 6 2.126 31.567 -6.454 1.00 61.50 N ATOM 88 CD2 HIS A 6 3.580 33.005 -5.699 1.00 15.12 C ATOM 89 CE1 HIS A 6 3.300 30.971 -6.430 1.00 24.22 C ATOM 90 NE2 HIS A 6 4.192 31.820 -5.976 1.00 14.30 N ATOM 0 H HIS A 6 -0.514 35.724 -5.321 1.00 71.43 H new ATOM 0 HA HIS A 6 0.221 33.173 -4.048 1.00 62.31 H new ATOM 0 HB2 HIS A 6 0.284 33.470 -6.540 1.00 3.41 H new ATOM 0 HB3 HIS A 6 1.417 34.794 -6.354 1.00 3.41 H new ATOM 0 HD2 HIS A 6 4.056 33.895 -5.315 1.00 15.12 H new ATOM 0 HE1 HIS A 6 3.496 29.953 -6.733 1.00 24.22 H new ATOM 0 HE2 HIS A 6 5.185 31.624 -5.851 1.00 14.30 H new ATOM 99 N HIS A 7 1.881 34.086 -2.437 1.00 43.32 N ATOM 100 CA HIS A 7 2.981 34.442 -1.527 1.00 61.13 C ATOM 101 C HIS A 7 3.392 33.182 -0.754 1.00 64.13 C ATOM 102 O HIS A 7 2.524 32.450 -0.255 1.00 3.03 O ATOM 103 CB HIS A 7 2.573 35.589 -0.559 1.00 55.12 C ATOM 104 CG HIS A 7 1.412 35.278 0.369 1.00 1.23 C ATOM 105 ND1 HIS A 7 1.558 35.127 1.735 1.00 55.42 N ATOM 106 CD2 HIS A 7 0.086 35.114 0.123 1.00 31.13 C ATOM 107 CE1 HIS A 7 0.381 34.892 2.279 1.00 11.31 C ATOM 108 NE2 HIS A 7 -0.521 34.878 1.324 1.00 20.32 N ATOM 0 H HIS A 7 1.313 33.308 -2.102 1.00 43.32 H new ATOM 0 HA HIS A 7 3.827 34.813 -2.106 1.00 61.13 H new ATOM 0 HB2 HIS A 7 3.439 35.855 0.047 1.00 55.12 H new ATOM 0 HB3 HIS A 7 2.317 36.467 -1.151 1.00 55.12 H new ATOM 0 HD2 HIS A 7 -0.398 35.161 -0.841 1.00 31.13 H new ATOM 0 HE1 HIS A 7 0.190 34.737 3.331 1.00 11.31 H new ATOM 0 HE2 HIS A 7 -1.519 34.716 1.458 1.00 20.32 H new ATOM 117 N HIS A 8 4.708 32.905 -0.694 1.00 11.14 N ATOM 118 CA HIS A 8 5.232 31.746 0.036 1.00 53.32 C ATOM 119 C HIS A 8 5.165 32.021 1.553 1.00 41.15 C ATOM 120 O HIS A 8 5.846 32.918 2.070 1.00 21.34 O ATOM 121 CB HIS A 8 6.678 31.356 -0.429 1.00 30.45 C ATOM 122 CG HIS A 8 7.786 32.341 -0.118 1.00 40.43 C ATOM 123 ND1 HIS A 8 8.137 33.380 -0.950 1.00 33.12 N ATOM 124 CD2 HIS A 8 8.641 32.416 0.936 1.00 14.33 C ATOM 125 CE1 HIS A 8 9.145 34.045 -0.418 1.00 73.42 C ATOM 126 NE2 HIS A 8 9.465 33.476 0.719 1.00 74.15 N ATOM 0 H HIS A 8 5.426 33.472 -1.145 1.00 11.14 H new ATOM 0 HA HIS A 8 4.607 30.882 -0.190 1.00 53.32 H new ATOM 0 HB2 HIS A 8 6.935 30.400 0.028 1.00 30.45 H new ATOM 0 HB3 HIS A 8 6.657 31.198 -1.507 1.00 30.45 H new ATOM 0 HD2 HIS A 8 8.662 31.755 1.790 1.00 14.33 H new ATOM 0 HE1 HIS A 8 9.625 34.912 -0.847 1.00 73.42 H new ATOM 0 HE2 HIS A 8 10.213 33.780 1.342 1.00 74.15 H new ATOM 135 N SER A 9 4.273 31.308 2.246 1.00 21.44 N ATOM 136 CA SER A 9 4.176 31.371 3.714 1.00 52.42 C ATOM 137 C SER A 9 5.312 30.528 4.332 1.00 1.01 C ATOM 138 O SER A 9 5.932 30.913 5.334 1.00 32.11 O ATOM 139 CB SER A 9 2.782 30.881 4.173 1.00 72.13 C ATOM 140 OG SER A 9 2.616 31.045 5.573 1.00 34.31 O ATOM 0 H SER A 9 3.601 30.674 1.813 1.00 21.44 H new ATOM 0 HA SER A 9 4.289 32.400 4.055 1.00 52.42 H new ATOM 0 HB2 SER A 9 2.006 31.436 3.645 1.00 72.13 H new ATOM 0 HB3 SER A 9 2.658 29.831 3.910 1.00 72.13 H new ATOM 0 HG SER A 9 1.726 30.729 5.836 1.00 34.31 H new ATOM 146 N HIS A 10 5.594 29.392 3.676 1.00 11.01 N ATOM 147 CA HIS A 10 6.650 28.450 4.055 1.00 21.51 C ATOM 148 C HIS A 10 7.323 27.940 2.770 1.00 2.22 C ATOM 149 O HIS A 10 6.779 27.072 2.084 1.00 32.34 O ATOM 150 CB HIS A 10 6.047 27.273 4.885 1.00 71.20 C ATOM 151 CG HIS A 10 7.043 26.199 5.293 1.00 11.13 C ATOM 152 ND1 HIS A 10 7.785 26.256 6.456 1.00 43.43 N ATOM 153 CD2 HIS A 10 7.399 25.030 4.695 1.00 45.40 C ATOM 154 CE1 HIS A 10 8.541 25.182 6.545 1.00 13.44 C ATOM 155 NE2 HIS A 10 8.326 24.425 5.496 1.00 62.30 N ATOM 0 H HIS A 10 5.079 29.099 2.846 1.00 11.01 H new ATOM 0 HA HIS A 10 7.394 28.942 4.681 1.00 21.51 H new ATOM 0 HB2 HIS A 10 5.587 27.681 5.785 1.00 71.20 H new ATOM 0 HB3 HIS A 10 5.252 26.808 4.303 1.00 71.20 H new ATOM 0 HD2 HIS A 10 7.019 24.650 3.758 1.00 45.40 H new ATOM 0 HE1 HIS A 10 9.226 24.961 7.350 1.00 13.44 H new ATOM 0 HE2 HIS A 10 8.778 23.530 5.308 1.00 62.30 H new ATOM 164 N MET A 11 8.476 28.534 2.420 1.00 75.22 N ATOM 165 CA MET A 11 9.310 28.068 1.300 1.00 1.32 C ATOM 166 C MET A 11 10.080 26.806 1.749 1.00 11.01 C ATOM 167 O MET A 11 11.214 26.875 2.240 1.00 75.44 O ATOM 168 CB MET A 11 10.266 29.192 0.817 1.00 72.11 C ATOM 169 CG MET A 11 11.159 28.831 -0.386 1.00 13.51 C ATOM 170 SD MET A 11 12.200 30.223 -0.887 1.00 33.32 S ATOM 171 CE MET A 11 13.304 29.470 -2.084 1.00 2.23 C ATOM 0 H MET A 11 8.855 29.348 2.904 1.00 75.22 H new ATOM 0 HA MET A 11 8.680 27.811 0.448 1.00 1.32 H new ATOM 0 HB2 MET A 11 9.669 30.065 0.555 1.00 72.11 H new ATOM 0 HB3 MET A 11 10.907 29.482 1.649 1.00 72.11 H new ATOM 0 HG2 MET A 11 11.789 27.979 -0.129 1.00 13.51 H new ATOM 0 HG3 MET A 11 10.534 28.524 -1.224 1.00 13.51 H new ATOM 0 HE1 MET A 11 13.994 30.222 -2.467 1.00 2.23 H new ATOM 0 HE2 MET A 11 13.869 28.670 -1.605 1.00 2.23 H new ATOM 0 HE3 MET A 11 12.721 29.059 -2.909 1.00 2.23 H new ATOM 181 N GLY A 12 9.384 25.671 1.652 1.00 42.31 N ATOM 182 CA GLY A 12 9.901 24.364 2.048 1.00 5.35 C ATOM 183 C GLY A 12 9.083 23.255 1.405 1.00 22.13 C ATOM 184 O GLY A 12 7.991 23.516 0.879 1.00 21.31 O ATOM 0 H GLY A 12 8.431 25.636 1.290 1.00 42.31 H new ATOM 0 HA2 GLY A 12 10.946 24.273 1.751 1.00 5.35 H new ATOM 0 HA3 GLY A 12 9.869 24.266 3.133 1.00 5.35 H new ATOM 188 N SER A 13 9.579 22.014 1.479 1.00 34.10 N ATOM 189 CA SER A 13 9.030 20.896 0.692 1.00 44.13 C ATOM 190 C SER A 13 9.242 19.540 1.413 1.00 22.42 C ATOM 191 O SER A 13 9.303 18.491 0.767 1.00 23.11 O ATOM 192 CB SER A 13 9.708 20.901 -0.711 1.00 33.32 C ATOM 193 OG SER A 13 9.067 20.011 -1.605 1.00 22.05 O ATOM 0 H SER A 13 10.363 21.755 2.078 1.00 34.10 H new ATOM 0 HA SER A 13 7.953 21.024 0.579 1.00 44.13 H new ATOM 0 HB2 SER A 13 9.685 21.910 -1.123 1.00 33.32 H new ATOM 0 HB3 SER A 13 10.757 20.622 -0.609 1.00 33.32 H new ATOM 0 HG SER A 13 8.929 19.147 -1.164 1.00 22.05 H new ATOM 199 N GLU A 14 9.288 19.567 2.763 1.00 22.23 N ATOM 200 CA GLU A 14 9.539 18.353 3.584 1.00 14.54 C ATOM 201 C GLU A 14 8.358 17.369 3.436 1.00 53.12 C ATOM 202 O GLU A 14 7.201 17.806 3.281 1.00 4.11 O ATOM 203 CB GLU A 14 9.754 18.687 5.106 1.00 75.22 C ATOM 204 CG GLU A 14 10.674 19.900 5.413 1.00 63.21 C ATOM 205 CD GLU A 14 9.930 21.250 5.379 1.00 42.12 C ATOM 206 OE1 GLU A 14 9.106 21.514 6.284 1.00 31.13 O ATOM 207 OE2 GLU A 14 10.138 22.045 4.441 1.00 63.15 O ATOM 0 H GLU A 14 9.155 20.416 3.312 1.00 22.23 H new ATOM 0 HA GLU A 14 10.459 17.901 3.215 1.00 14.54 H new ATOM 0 HB2 GLU A 14 8.780 18.872 5.558 1.00 75.22 H new ATOM 0 HB3 GLU A 14 10.171 17.807 5.595 1.00 75.22 H new ATOM 0 HG2 GLU A 14 11.125 19.766 6.396 1.00 63.21 H new ATOM 0 HG3 GLU A 14 11.488 19.923 4.689 1.00 63.21 H new ATOM 214 N GLU A 15 8.667 16.055 3.467 1.00 54.12 N ATOM 215 CA GLU A 15 7.654 14.976 3.416 1.00 14.04 C ATOM 216 C GLU A 15 6.828 14.981 4.737 1.00 34.13 C ATOM 217 O GLU A 15 7.060 14.197 5.667 1.00 14.33 O ATOM 218 CB GLU A 15 8.306 13.566 3.097 1.00 22.32 C ATOM 219 CG GLU A 15 9.293 12.971 4.147 1.00 41.53 C ATOM 220 CD GLU A 15 10.610 13.758 4.331 1.00 41.03 C ATOM 221 OE1 GLU A 15 10.648 14.719 5.141 1.00 60.31 O ATOM 222 OE2 GLU A 15 11.610 13.433 3.664 1.00 13.45 O ATOM 0 H GLU A 15 9.625 15.711 3.528 1.00 54.12 H new ATOM 0 HA GLU A 15 6.969 15.167 2.590 1.00 14.04 H new ATOM 0 HB2 GLU A 15 7.499 12.848 2.951 1.00 22.32 H new ATOM 0 HB3 GLU A 15 8.835 13.648 2.148 1.00 22.32 H new ATOM 0 HG2 GLU A 15 8.784 12.915 5.109 1.00 41.53 H new ATOM 0 HG3 GLU A 15 9.537 11.949 3.855 1.00 41.53 H new ATOM 229 N ASP A 16 5.857 15.909 4.796 1.00 73.45 N ATOM 230 CA ASP A 16 5.125 16.249 6.026 1.00 73.54 C ATOM 231 C ASP A 16 4.102 15.163 6.380 1.00 73.51 C ATOM 232 O ASP A 16 3.758 14.302 5.550 1.00 44.20 O ATOM 233 CB ASP A 16 4.439 17.643 5.878 1.00 21.14 C ATOM 234 CG ASP A 16 3.310 17.656 4.830 1.00 11.21 C ATOM 235 OD1 ASP A 16 3.613 17.600 3.618 1.00 62.45 O ATOM 236 OD2 ASP A 16 2.118 17.712 5.208 1.00 44.24 O ATOM 0 H ASP A 16 5.557 16.448 3.984 1.00 73.45 H new ATOM 0 HA ASP A 16 5.840 16.303 6.847 1.00 73.54 H new ATOM 0 HB2 ASP A 16 4.033 17.945 6.843 1.00 21.14 H new ATOM 0 HB3 ASP A 16 5.190 18.383 5.602 1.00 21.14 H new ATOM 241 N ASP A 17 3.608 15.252 7.627 1.00 54.44 N ATOM 242 CA ASP A 17 2.675 14.289 8.232 1.00 13.43 C ATOM 243 C ASP A 17 1.311 14.278 7.518 1.00 52.01 C ATOM 244 O ASP A 17 0.528 13.356 7.730 1.00 5.13 O ATOM 245 CB ASP A 17 2.494 14.607 9.744 1.00 14.21 C ATOM 246 CG ASP A 17 1.847 15.982 10.005 1.00 60.25 C ATOM 247 OD1 ASP A 17 2.553 17.011 9.888 1.00 10.34 O ATOM 248 OD2 ASP A 17 0.630 16.045 10.298 1.00 71.41 O ATOM 0 H ASP A 17 3.854 16.016 8.257 1.00 54.44 H new ATOM 0 HA ASP A 17 3.105 13.294 8.119 1.00 13.43 H new ATOM 0 HB2 ASP A 17 1.879 13.831 10.200 1.00 14.21 H new ATOM 0 HB3 ASP A 17 3.467 14.572 10.235 1.00 14.21 H new ATOM 253 N GLY A 18 1.032 15.318 6.692 1.00 63.33 N ATOM 254 CA GLY A 18 -0.182 15.369 5.870 1.00 32.35 C ATOM 255 C GLY A 18 -0.211 14.262 4.827 1.00 53.40 C ATOM 256 O GLY A 18 -1.239 13.586 4.654 1.00 12.43 O ATOM 0 H GLY A 18 1.640 16.130 6.585 1.00 63.33 H new ATOM 0 HA2 GLY A 18 -1.059 15.285 6.512 1.00 32.35 H new ATOM 0 HA3 GLY A 18 -0.243 16.337 5.373 1.00 32.35 H new ATOM 260 N VAL A 19 0.939 14.075 4.142 1.00 50.43 N ATOM 261 CA VAL A 19 1.134 12.993 3.155 1.00 21.40 C ATOM 262 C VAL A 19 1.059 11.617 3.852 1.00 42.23 C ATOM 263 O VAL A 19 0.265 10.765 3.470 1.00 34.41 O ATOM 264 CB VAL A 19 2.517 13.130 2.411 1.00 3.01 C ATOM 265 CG1 VAL A 19 2.720 12.010 1.355 1.00 21.34 C ATOM 266 CG2 VAL A 19 2.661 14.525 1.769 1.00 60.35 C ATOM 0 H VAL A 19 1.758 14.671 4.259 1.00 50.43 H new ATOM 0 HA VAL A 19 0.338 13.075 2.415 1.00 21.40 H new ATOM 0 HB VAL A 19 3.301 13.015 3.160 1.00 3.01 H new ATOM 0 HG11 VAL A 19 3.685 12.142 0.866 1.00 21.34 H new ATOM 0 HG12 VAL A 19 2.692 11.037 1.846 1.00 21.34 H new ATOM 0 HG13 VAL A 19 1.926 12.064 0.611 1.00 21.34 H new ATOM 0 HG21 VAL A 19 3.623 14.595 1.262 1.00 60.35 H new ATOM 0 HG22 VAL A 19 1.859 14.678 1.047 1.00 60.35 H new ATOM 0 HG23 VAL A 19 2.603 15.290 2.544 1.00 60.35 H new ATOM 276 N VAL A 20 1.863 11.470 4.915 1.00 14.21 N ATOM 277 CA VAL A 20 2.046 10.201 5.652 1.00 50.51 C ATOM 278 C VAL A 20 0.711 9.689 6.244 1.00 72.43 C ATOM 279 O VAL A 20 0.384 8.503 6.113 1.00 31.22 O ATOM 280 CB VAL A 20 3.134 10.390 6.782 1.00 21.34 C ATOM 281 CG1 VAL A 20 3.344 9.093 7.607 1.00 12.42 C ATOM 282 CG2 VAL A 20 4.471 10.889 6.161 1.00 34.25 C ATOM 0 H VAL A 20 2.415 12.238 5.296 1.00 14.21 H new ATOM 0 HA VAL A 20 2.395 9.443 4.950 1.00 50.51 H new ATOM 0 HB VAL A 20 2.769 11.147 7.476 1.00 21.34 H new ATOM 0 HG11 VAL A 20 4.100 9.267 8.373 1.00 12.42 H new ATOM 0 HG12 VAL A 20 2.405 8.808 8.082 1.00 12.42 H new ATOM 0 HG13 VAL A 20 3.674 8.291 6.947 1.00 12.42 H new ATOM 0 HG21 VAL A 20 5.213 11.016 6.949 1.00 34.25 H new ATOM 0 HG22 VAL A 20 4.831 10.158 5.437 1.00 34.25 H new ATOM 0 HG23 VAL A 20 4.306 11.843 5.661 1.00 34.25 H new ATOM 292 N ALA A 21 -0.068 10.623 6.831 1.00 2.40 N ATOM 293 CA ALA A 21 -1.350 10.317 7.496 1.00 22.15 C ATOM 294 C ALA A 21 -2.412 9.866 6.483 1.00 64.11 C ATOM 295 O ALA A 21 -3.132 8.889 6.732 1.00 31.21 O ATOM 296 CB ALA A 21 -1.859 11.531 8.298 1.00 51.22 C ATOM 0 H ALA A 21 0.177 11.613 6.856 1.00 2.40 H new ATOM 0 HA ALA A 21 -1.170 9.494 8.188 1.00 22.15 H new ATOM 0 HB1 ALA A 21 -2.805 11.279 8.778 1.00 51.22 H new ATOM 0 HB2 ALA A 21 -1.126 11.798 9.059 1.00 51.22 H new ATOM 0 HB3 ALA A 21 -2.007 12.375 7.625 1.00 51.22 H new ATOM 302 N MET A 22 -2.502 10.578 5.334 1.00 20.34 N ATOM 303 CA MET A 22 -3.515 10.259 4.309 1.00 53.02 C ATOM 304 C MET A 22 -3.182 8.931 3.609 1.00 70.55 C ATOM 305 O MET A 22 -4.094 8.226 3.211 1.00 64.10 O ATOM 306 CB MET A 22 -3.726 11.404 3.283 1.00 35.04 C ATOM 307 CG MET A 22 -2.554 11.694 2.342 1.00 35.12 C ATOM 308 SD MET A 22 -2.910 13.028 1.172 1.00 3.34 S ATOM 309 CE MET A 22 -4.334 12.374 0.293 1.00 22.23 C ATOM 0 H MET A 22 -1.895 11.363 5.099 1.00 20.34 H new ATOM 0 HA MET A 22 -4.465 10.147 4.832 1.00 53.02 H new ATOM 0 HB2 MET A 22 -4.600 11.164 2.677 1.00 35.04 H new ATOM 0 HB3 MET A 22 -3.959 12.317 3.832 1.00 35.04 H new ATOM 0 HG2 MET A 22 -1.677 11.959 2.932 1.00 35.12 H new ATOM 0 HG3 MET A 22 -2.305 10.788 1.789 1.00 35.12 H new ATOM 0 HE1 MET A 22 -4.464 12.916 -0.643 1.00 22.23 H new ATOM 0 HE2 MET A 22 -4.177 11.316 0.081 1.00 22.23 H new ATOM 0 HE3 MET A 22 -5.227 12.492 0.908 1.00 22.23 H new ATOM 319 N ILE A 23 -1.874 8.580 3.500 1.00 4.30 N ATOM 320 CA ILE A 23 -1.456 7.255 2.991 1.00 54.42 C ATOM 321 C ILE A 23 -1.966 6.159 3.953 1.00 3.31 C ATOM 322 O ILE A 23 -2.589 5.192 3.507 1.00 11.21 O ATOM 323 CB ILE A 23 0.111 7.103 2.810 1.00 1.24 C ATOM 324 CG1 ILE A 23 0.679 8.147 1.797 1.00 72.52 C ATOM 325 CG2 ILE A 23 0.471 5.667 2.348 1.00 32.42 C ATOM 326 CD1 ILE A 23 2.192 8.114 1.606 1.00 35.51 C ATOM 0 H ILE A 23 -1.100 9.193 3.756 1.00 4.30 H new ATOM 0 HA ILE A 23 -1.894 7.150 1.998 1.00 54.42 H new ATOM 0 HB ILE A 23 0.569 7.291 3.781 1.00 1.24 H new ATOM 0 HG12 ILE A 23 0.204 7.986 0.829 1.00 72.52 H new ATOM 0 HG13 ILE A 23 0.393 9.145 2.130 1.00 72.52 H new ATOM 0 HG21 ILE A 23 1.551 5.583 2.229 1.00 32.42 H new ATOM 0 HG22 ILE A 23 0.131 4.949 3.094 1.00 32.42 H new ATOM 0 HG23 ILE A 23 -0.016 5.459 1.395 1.00 32.42 H new ATOM 0 HD11 ILE A 23 2.484 8.876 0.884 1.00 35.51 H new ATOM 0 HD12 ILE A 23 2.683 8.309 2.559 1.00 35.51 H new ATOM 0 HD13 ILE A 23 2.491 7.132 1.238 1.00 35.51 H new ATOM 338 N LYS A 24 -1.731 6.366 5.278 1.00 50.52 N ATOM 339 CA LYS A 24 -2.136 5.416 6.339 1.00 42.13 C ATOM 340 C LYS A 24 -3.631 5.074 6.241 1.00 4.23 C ATOM 341 O LYS A 24 -3.997 3.898 6.258 1.00 53.52 O ATOM 342 CB LYS A 24 -1.829 5.974 7.760 1.00 14.02 C ATOM 343 CG LYS A 24 -0.335 6.073 8.112 1.00 33.31 C ATOM 344 CD LYS A 24 -0.111 6.529 9.574 1.00 72.14 C ATOM 345 CE LYS A 24 1.373 6.633 9.943 1.00 5.22 C ATOM 346 NZ LYS A 24 1.568 7.000 11.373 1.00 73.32 N ATOM 0 H LYS A 24 -1.256 7.196 5.634 1.00 50.52 H new ATOM 0 HA LYS A 24 -1.551 4.510 6.185 1.00 42.13 H new ATOM 0 HB2 LYS A 24 -2.274 6.965 7.848 1.00 14.02 H new ATOM 0 HB3 LYS A 24 -2.319 5.338 8.497 1.00 14.02 H new ATOM 0 HG2 LYS A 24 0.138 5.103 7.959 1.00 33.31 H new ATOM 0 HG3 LYS A 24 0.151 6.776 7.435 1.00 33.31 H new ATOM 0 HD2 LYS A 24 -0.587 7.498 9.724 1.00 72.14 H new ATOM 0 HD3 LYS A 24 -0.600 5.826 10.248 1.00 72.14 H new ATOM 0 HE2 LYS A 24 1.864 5.681 9.743 1.00 5.22 H new ATOM 0 HE3 LYS A 24 1.853 7.378 9.309 1.00 5.22 H new ATOM 0 HZ1 LYS A 24 2.585 7.060 11.580 1.00 73.32 H new ATOM 0 HZ2 LYS A 24 1.122 7.921 11.559 1.00 73.32 H new ATOM 0 HZ3 LYS A 24 1.133 6.276 11.980 1.00 73.32 H new ATOM 360 N GLU A 25 -4.477 6.125 6.101 1.00 1.13 N ATOM 361 CA GLU A 25 -5.938 5.964 6.105 1.00 44.13 C ATOM 362 C GLU A 25 -6.419 5.308 4.791 1.00 24.10 C ATOM 363 O GLU A 25 -7.261 4.420 4.841 1.00 61.04 O ATOM 364 CB GLU A 25 -6.677 7.311 6.371 1.00 14.24 C ATOM 365 CG GLU A 25 -6.825 8.242 5.151 1.00 4.55 C ATOM 366 CD GLU A 25 -7.503 9.581 5.483 1.00 62.43 C ATOM 367 OE1 GLU A 25 -6.809 10.528 5.908 1.00 40.34 O ATOM 368 OE2 GLU A 25 -8.742 9.687 5.336 1.00 42.22 O ATOM 0 H GLU A 25 -4.165 7.089 5.985 1.00 1.13 H new ATOM 0 HA GLU A 25 -6.191 5.299 6.931 1.00 44.13 H new ATOM 0 HB2 GLU A 25 -7.671 7.089 6.759 1.00 14.24 H new ATOM 0 HB3 GLU A 25 -6.143 7.849 7.154 1.00 14.24 H new ATOM 0 HG2 GLU A 25 -5.838 8.437 4.731 1.00 4.55 H new ATOM 0 HG3 GLU A 25 -7.404 7.731 4.382 1.00 4.55 H new ATOM 375 N LEU A 26 -5.834 5.728 3.625 1.00 2.02 N ATOM 376 CA LEU A 26 -6.214 5.191 2.289 1.00 63.33 C ATOM 377 C LEU A 26 -5.972 3.674 2.226 1.00 1.34 C ATOM 378 O LEU A 26 -6.737 2.942 1.602 1.00 40.22 O ATOM 379 CB LEU A 26 -5.436 5.905 1.140 1.00 74.13 C ATOM 380 CG LEU A 26 -5.813 7.397 0.862 1.00 1.32 C ATOM 381 CD1 LEU A 26 -4.897 8.014 -0.217 1.00 11.44 C ATOM 382 CD2 LEU A 26 -7.297 7.544 0.482 1.00 54.04 C ATOM 0 H LEU A 26 -5.100 6.435 3.590 1.00 2.02 H new ATOM 0 HA LEU A 26 -7.277 5.388 2.149 1.00 63.33 H new ATOM 0 HB2 LEU A 26 -4.371 5.860 1.370 1.00 74.13 H new ATOM 0 HB3 LEU A 26 -5.588 5.338 0.222 1.00 74.13 H new ATOM 0 HG LEU A 26 -5.656 7.950 1.788 1.00 1.32 H new ATOM 0 HD11 LEU A 26 -5.184 9.052 -0.388 1.00 11.44 H new ATOM 0 HD12 LEU A 26 -3.861 7.975 0.119 1.00 11.44 H new ATOM 0 HD13 LEU A 26 -4.998 7.452 -1.145 1.00 11.44 H new ATOM 0 HD21 LEU A 26 -7.523 8.594 0.296 1.00 54.04 H new ATOM 0 HD22 LEU A 26 -7.501 6.964 -0.418 1.00 54.04 H new ATOM 0 HD23 LEU A 26 -7.920 7.178 1.298 1.00 54.04 H new ATOM 394 N LEU A 27 -4.895 3.228 2.883 1.00 34.44 N ATOM 395 CA LEU A 27 -4.583 1.803 3.026 1.00 63.13 C ATOM 396 C LEU A 27 -5.579 1.148 3.996 1.00 51.50 C ATOM 397 O LEU A 27 -6.245 0.181 3.646 1.00 2.52 O ATOM 398 CB LEU A 27 -3.130 1.622 3.527 1.00 63.33 C ATOM 399 CG LEU A 27 -2.021 2.201 2.596 1.00 61.21 C ATOM 400 CD1 LEU A 27 -0.655 2.174 3.290 1.00 51.15 C ATOM 401 CD2 LEU A 27 -1.987 1.467 1.236 1.00 63.41 C ATOM 0 H LEU A 27 -4.216 3.845 3.330 1.00 34.44 H new ATOM 0 HA LEU A 27 -4.671 1.317 2.054 1.00 63.13 H new ATOM 0 HB2 LEU A 27 -3.041 2.093 4.506 1.00 63.33 H new ATOM 0 HB3 LEU A 27 -2.943 0.557 3.667 1.00 63.33 H new ATOM 0 HG LEU A 27 -2.265 3.243 2.391 1.00 61.21 H new ATOM 0 HD11 LEU A 27 0.102 2.583 2.620 1.00 51.15 H new ATOM 0 HD12 LEU A 27 -0.697 2.774 4.199 1.00 51.15 H new ATOM 0 HD13 LEU A 27 -0.397 1.146 3.545 1.00 51.15 H new ATOM 0 HD21 LEU A 27 -1.203 1.895 0.611 1.00 63.41 H new ATOM 0 HD22 LEU A 27 -1.784 0.409 1.399 1.00 63.41 H new ATOM 0 HD23 LEU A 27 -2.950 1.579 0.738 1.00 63.41 H new ATOM 413 N ASP A 28 -5.722 1.751 5.186 1.00 51.14 N ATOM 414 CA ASP A 28 -6.466 1.154 6.324 1.00 54.31 C ATOM 415 C ASP A 28 -7.979 1.021 6.046 1.00 14.11 C ATOM 416 O ASP A 28 -8.656 0.164 6.632 1.00 11.21 O ATOM 417 CB ASP A 28 -6.200 1.987 7.610 1.00 54.13 C ATOM 418 CG ASP A 28 -6.762 1.344 8.895 1.00 15.55 C ATOM 419 OD1 ASP A 28 -6.316 0.228 9.257 1.00 34.00 O ATOM 420 OD2 ASP A 28 -7.631 1.951 9.558 1.00 42.34 O ATOM 0 H ASP A 28 -5.327 2.668 5.394 1.00 51.14 H new ATOM 0 HA ASP A 28 -6.099 0.138 6.467 1.00 54.31 H new ATOM 0 HB2 ASP A 28 -5.125 2.127 7.725 1.00 54.13 H new ATOM 0 HB3 ASP A 28 -6.639 2.977 7.488 1.00 54.13 H new ATOM 425 N THR A 29 -8.495 1.862 5.137 1.00 71.43 N ATOM 426 CA THR A 29 -9.926 1.894 4.781 1.00 43.12 C ATOM 427 C THR A 29 -10.220 1.064 3.511 1.00 20.40 C ATOM 428 O THR A 29 -11.220 0.337 3.452 1.00 42.34 O ATOM 429 CB THR A 29 -10.396 3.379 4.587 1.00 63.13 C ATOM 430 OG1 THR A 29 -9.586 4.026 3.588 1.00 31.22 O ATOM 431 CG2 THR A 29 -10.317 4.167 5.909 1.00 1.33 C ATOM 0 H THR A 29 -7.932 2.542 4.626 1.00 71.43 H new ATOM 0 HA THR A 29 -10.485 1.443 5.601 1.00 43.12 H new ATOM 0 HB THR A 29 -11.436 3.362 4.260 1.00 63.13 H new ATOM 0 HG1 THR A 29 -8.792 4.414 4.012 1.00 31.22 H new ATOM 0 HG21 THR A 29 -10.649 5.192 5.742 1.00 1.33 H new ATOM 0 HG22 THR A 29 -10.958 3.694 6.653 1.00 1.33 H new ATOM 0 HG23 THR A 29 -9.288 4.173 6.268 1.00 1.33 H new ATOM 439 N ARG A 30 -9.331 1.154 2.502 1.00 72.40 N ATOM 440 CA ARG A 30 -9.564 0.551 1.171 1.00 51.32 C ATOM 441 C ARG A 30 -8.853 -0.802 1.030 1.00 45.13 C ATOM 442 O ARG A 30 -9.486 -1.818 0.731 1.00 24.45 O ATOM 443 CB ARG A 30 -9.071 1.516 0.061 1.00 33.43 C ATOM 444 CG ARG A 30 -9.652 2.939 0.162 1.00 65.40 C ATOM 445 CD ARG A 30 -9.017 3.914 -0.844 1.00 24.12 C ATOM 446 NE ARG A 30 -9.482 5.288 -0.627 1.00 55.33 N ATOM 447 CZ ARG A 30 -10.027 6.080 -1.553 1.00 23.21 C ATOM 448 NH1 ARG A 30 -10.186 5.652 -2.800 1.00 64.41 N ATOM 449 NH2 ARG A 30 -10.387 7.308 -1.218 1.00 64.13 N ATOM 0 H ARG A 30 -8.439 1.642 2.583 1.00 72.40 H new ATOM 0 HA ARG A 30 -10.636 0.382 1.066 1.00 51.32 H new ATOM 0 HB2 ARG A 30 -7.983 1.575 0.103 1.00 33.43 H new ATOM 0 HB3 ARG A 30 -9.330 1.097 -0.911 1.00 33.43 H new ATOM 0 HG2 ARG A 30 -10.728 2.900 -0.006 1.00 65.40 H new ATOM 0 HG3 ARG A 30 -9.501 3.317 1.173 1.00 65.40 H new ATOM 0 HD2 ARG A 30 -7.931 3.877 -0.752 1.00 24.12 H new ATOM 0 HD3 ARG A 30 -9.262 3.602 -1.859 1.00 24.12 H new ATOM 0 HE ARG A 30 -9.380 5.671 0.313 1.00 55.33 H new ATOM 0 HH11 ARG A 30 -9.891 4.710 -3.058 1.00 64.41 H new ATOM 0 HH12 ARG A 30 -10.604 6.265 -3.500 1.00 64.41 H new ATOM 0 HH21 ARG A 30 -10.247 7.638 -0.263 1.00 64.13 H new ATOM 0 HH22 ARG A 30 -10.805 7.925 -1.915 1.00 64.13 H new ATOM 463 N ILE A 31 -7.533 -0.806 1.282 1.00 25.03 N ATOM 464 CA ILE A 31 -6.655 -1.928 0.909 1.00 71.41 C ATOM 465 C ILE A 31 -6.645 -3.006 2.006 1.00 20.02 C ATOM 466 O ILE A 31 -7.036 -4.144 1.735 1.00 61.41 O ATOM 467 CB ILE A 31 -5.187 -1.449 0.625 1.00 3.23 C ATOM 468 CG1 ILE A 31 -5.162 -0.330 -0.465 1.00 14.44 C ATOM 469 CG2 ILE A 31 -4.271 -2.632 0.221 1.00 5.02 C ATOM 470 CD1 ILE A 31 -5.732 -0.721 -1.828 1.00 44.42 C ATOM 0 H ILE A 31 -7.048 -0.038 1.746 1.00 25.03 H new ATOM 0 HA ILE A 31 -7.058 -2.356 -0.009 1.00 71.41 H new ATOM 0 HB ILE A 31 -4.796 -1.029 1.552 1.00 3.23 H new ATOM 0 HG12 ILE A 31 -5.720 0.529 -0.091 1.00 14.44 H new ATOM 0 HG13 ILE A 31 -4.131 -0.005 -0.602 1.00 14.44 H new ATOM 0 HG21 ILE A 31 -3.263 -2.263 0.032 1.00 5.02 H new ATOM 0 HG22 ILE A 31 -4.244 -3.364 1.028 1.00 5.02 H new ATOM 0 HG23 ILE A 31 -4.661 -3.102 -0.682 1.00 5.02 H new ATOM 0 HD11 ILE A 31 -5.665 0.129 -2.508 1.00 44.42 H new ATOM 0 HD12 ILE A 31 -5.162 -1.556 -2.235 1.00 44.42 H new ATOM 0 HD13 ILE A 31 -6.776 -1.014 -1.715 1.00 44.42 H new ATOM 482 N ARG A 32 -6.210 -2.622 3.242 1.00 14.04 N ATOM 483 CA ARG A 32 -6.057 -3.547 4.397 1.00 54.43 C ATOM 484 C ARG A 32 -7.293 -4.462 4.592 1.00 35.44 C ATOM 485 O ARG A 32 -7.093 -5.668 4.643 1.00 22.33 O ATOM 486 CB ARG A 32 -5.735 -2.811 5.735 1.00 40.24 C ATOM 487 CG ARG A 32 -4.417 -2.024 5.755 1.00 24.20 C ATOM 488 CD ARG A 32 -4.037 -1.529 7.162 1.00 53.03 C ATOM 489 NE ARG A 32 -3.684 -2.644 8.064 1.00 31.42 N ATOM 490 CZ ARG A 32 -3.769 -2.632 9.409 1.00 22.10 C ATOM 491 NH1 ARG A 32 -4.220 -1.565 10.065 1.00 15.35 N ATOM 492 NH2 ARG A 32 -3.420 -3.708 10.087 1.00 61.44 N ATOM 0 H ARG A 32 -5.956 -1.659 3.462 1.00 14.04 H new ATOM 0 HA ARG A 32 -5.199 -4.169 4.141 1.00 54.43 H new ATOM 0 HB2 ARG A 32 -6.552 -2.124 5.957 1.00 40.24 H new ATOM 0 HB3 ARG A 32 -5.710 -3.548 6.538 1.00 40.24 H new ATOM 0 HG2 ARG A 32 -3.617 -2.655 5.369 1.00 24.20 H new ATOM 0 HG3 ARG A 32 -4.500 -1.169 5.084 1.00 24.20 H new ATOM 0 HD2 ARG A 32 -3.195 -0.841 7.089 1.00 53.03 H new ATOM 0 HD3 ARG A 32 -4.870 -0.969 7.587 1.00 53.03 H new ATOM 0 HE ARG A 32 -3.345 -3.502 7.629 1.00 31.42 H new ATOM 0 HH11 ARG A 32 -4.510 -0.734 9.549 1.00 15.35 H new ATOM 0 HH12 ARG A 32 -4.276 -1.578 11.083 1.00 15.35 H new ATOM 0 HH21 ARG A 32 -3.090 -4.537 9.593 1.00 61.44 H new ATOM 0 HH22 ARG A 32 -3.480 -3.711 11.105 1.00 61.44 H new ATOM 506 N PRO A 33 -8.591 -3.924 4.678 1.00 31.34 N ATOM 507 CA PRO A 33 -9.806 -4.781 4.844 1.00 4.43 C ATOM 508 C PRO A 33 -9.931 -5.854 3.742 1.00 4.44 C ATOM 509 O PRO A 33 -10.216 -7.009 4.047 1.00 53.42 O ATOM 510 CB PRO A 33 -10.992 -3.776 4.793 1.00 72.13 C ATOM 511 CG PRO A 33 -10.385 -2.477 5.231 1.00 14.33 C ATOM 512 CD PRO A 33 -8.990 -2.480 4.647 1.00 50.14 C ATOM 0 HA PRO A 33 -9.772 -5.349 5.774 1.00 4.43 H new ATOM 0 HB2 PRO A 33 -11.410 -3.703 3.789 1.00 72.13 H new ATOM 0 HB3 PRO A 33 -11.803 -4.081 5.455 1.00 72.13 H new ATOM 0 HG2 PRO A 33 -10.964 -1.628 4.866 1.00 14.33 H new ATOM 0 HG3 PRO A 33 -10.358 -2.401 6.318 1.00 14.33 H new ATOM 0 HD2 PRO A 33 -8.981 -2.084 3.631 1.00 50.14 H new ATOM 0 HD3 PRO A 33 -8.309 -1.864 5.235 1.00 50.14 H new ATOM 520 N THR A 34 -9.673 -5.448 2.482 1.00 25.33 N ATOM 521 CA THR A 34 -9.726 -6.335 1.298 1.00 61.50 C ATOM 522 C THR A 34 -8.731 -7.503 1.440 1.00 61.14 C ATOM 523 O THR A 34 -9.086 -8.673 1.247 1.00 42.43 O ATOM 524 CB THR A 34 -9.405 -5.518 0.000 1.00 72.12 C ATOM 525 OG1 THR A 34 -10.314 -4.413 -0.091 1.00 55.54 O ATOM 526 CG2 THR A 34 -9.492 -6.371 -1.285 1.00 43.24 C ATOM 0 H THR A 34 -9.420 -4.487 2.254 1.00 25.33 H new ATOM 0 HA THR A 34 -10.733 -6.747 1.226 1.00 61.50 H new ATOM 0 HB THR A 34 -8.375 -5.170 0.077 1.00 72.12 H new ATOM 0 HG1 THR A 34 -9.873 -3.599 0.232 1.00 55.54 H new ATOM 0 HG21 THR A 34 -9.259 -5.750 -2.150 1.00 43.24 H new ATOM 0 HG22 THR A 34 -8.778 -7.192 -1.225 1.00 43.24 H new ATOM 0 HG23 THR A 34 -10.500 -6.773 -1.387 1.00 43.24 H new ATOM 534 N VAL A 35 -7.491 -7.149 1.819 1.00 73.03 N ATOM 535 CA VAL A 35 -6.378 -8.104 1.944 1.00 13.10 C ATOM 536 C VAL A 35 -6.591 -9.017 3.180 1.00 21.11 C ATOM 537 O VAL A 35 -6.271 -10.199 3.136 1.00 21.22 O ATOM 538 CB VAL A 35 -4.989 -7.355 2.004 1.00 2.45 C ATOM 539 CG1 VAL A 35 -3.803 -8.347 1.961 1.00 0.22 C ATOM 540 CG2 VAL A 35 -4.869 -6.334 0.849 1.00 62.43 C ATOM 0 H VAL A 35 -7.232 -6.189 2.048 1.00 73.03 H new ATOM 0 HA VAL A 35 -6.362 -8.737 1.057 1.00 13.10 H new ATOM 0 HB VAL A 35 -4.948 -6.823 2.954 1.00 2.45 H new ATOM 0 HG11 VAL A 35 -2.865 -7.794 2.004 1.00 0.22 H new ATOM 0 HG12 VAL A 35 -3.864 -9.025 2.812 1.00 0.22 H new ATOM 0 HG13 VAL A 35 -3.843 -8.922 1.036 1.00 0.22 H new ATOM 0 HG21 VAL A 35 -3.905 -5.829 0.909 1.00 62.43 H new ATOM 0 HG22 VAL A 35 -4.948 -6.854 -0.106 1.00 62.43 H new ATOM 0 HG23 VAL A 35 -5.669 -5.599 0.929 1.00 62.43 H new ATOM 550 N GLN A 36 -7.206 -8.458 4.249 1.00 35.32 N ATOM 551 CA GLN A 36 -7.557 -9.206 5.487 1.00 32.25 C ATOM 552 C GLN A 36 -8.639 -10.262 5.198 1.00 3.21 C ATOM 553 O GLN A 36 -8.584 -11.377 5.736 1.00 43.44 O ATOM 554 CB GLN A 36 -8.025 -8.236 6.612 1.00 12.32 C ATOM 555 CG GLN A 36 -6.898 -7.371 7.227 1.00 34.21 C ATOM 556 CD GLN A 36 -7.419 -6.251 8.139 1.00 1.12 C ATOM 557 OE1 GLN A 36 -8.468 -6.380 8.772 1.00 73.21 O ATOM 558 NE2 GLN A 36 -6.698 -5.138 8.208 1.00 21.51 N ATOM 0 H GLN A 36 -7.475 -7.474 4.281 1.00 35.32 H new ATOM 0 HA GLN A 36 -6.660 -9.719 5.834 1.00 32.25 H new ATOM 0 HB2 GLN A 36 -8.793 -7.576 6.208 1.00 12.32 H new ATOM 0 HB3 GLN A 36 -8.492 -8.819 7.406 1.00 12.32 H new ATOM 0 HG2 GLN A 36 -6.228 -8.013 7.799 1.00 34.21 H new ATOM 0 HG3 GLN A 36 -6.308 -6.930 6.423 1.00 34.21 H new ATOM 0 HE21 GLN A 36 -5.833 -5.057 7.674 1.00 21.51 H new ATOM 0 HE22 GLN A 36 -7.009 -4.364 8.795 1.00 21.51 H new ATOM 567 N GLU A 37 -9.607 -9.898 4.332 1.00 32.22 N ATOM 568 CA GLU A 37 -10.664 -10.820 3.868 1.00 25.52 C ATOM 569 C GLU A 37 -10.068 -11.904 2.941 1.00 43.44 C ATOM 570 O GLU A 37 -10.597 -13.024 2.853 1.00 4.13 O ATOM 571 CB GLU A 37 -11.780 -10.029 3.132 1.00 43.24 C ATOM 572 CG GLU A 37 -12.592 -9.056 4.019 1.00 74.43 C ATOM 573 CD GLU A 37 -13.370 -9.764 5.145 1.00 41.04 C ATOM 574 OE1 GLU A 37 -14.386 -10.430 4.840 1.00 51.41 O ATOM 575 OE2 GLU A 37 -12.977 -9.657 6.331 1.00 50.24 O ATOM 0 H GLU A 37 -9.678 -8.961 3.936 1.00 32.22 H new ATOM 0 HA GLU A 37 -11.101 -11.314 4.736 1.00 25.52 H new ATOM 0 HB2 GLU A 37 -11.326 -9.462 2.320 1.00 43.24 H new ATOM 0 HB3 GLU A 37 -12.468 -10.741 2.677 1.00 43.24 H new ATOM 0 HG2 GLU A 37 -11.914 -8.325 4.459 1.00 74.43 H new ATOM 0 HG3 GLU A 37 -13.293 -8.504 3.393 1.00 74.43 H new ATOM 582 N ASP A 38 -8.971 -11.547 2.244 1.00 34.30 N ATOM 583 CA ASP A 38 -8.219 -12.470 1.369 1.00 13.12 C ATOM 584 C ASP A 38 -7.320 -13.416 2.208 1.00 53.42 C ATOM 585 O ASP A 38 -6.952 -14.502 1.752 1.00 52.23 O ATOM 586 CB ASP A 38 -7.370 -11.642 0.355 1.00 74.52 C ATOM 587 CG ASP A 38 -6.567 -12.517 -0.634 1.00 54.13 C ATOM 588 OD1 ASP A 38 -7.148 -12.983 -1.639 1.00 62.45 O ATOM 589 OD2 ASP A 38 -5.353 -12.741 -0.419 1.00 1.40 O ATOM 0 H ASP A 38 -8.579 -10.606 2.272 1.00 34.30 H new ATOM 0 HA ASP A 38 -8.922 -13.094 0.817 1.00 13.12 H new ATOM 0 HB2 ASP A 38 -8.031 -10.984 -0.209 1.00 74.52 H new ATOM 0 HB3 ASP A 38 -6.680 -11.004 0.907 1.00 74.52 H new ATOM 594 N GLY A 39 -6.991 -13.002 3.443 1.00 0.45 N ATOM 595 CA GLY A 39 -6.225 -13.841 4.386 1.00 44.13 C ATOM 596 C GLY A 39 -4.821 -13.320 4.669 1.00 32.11 C ATOM 597 O GLY A 39 -4.017 -14.018 5.288 1.00 60.15 O ATOM 0 H GLY A 39 -7.244 -12.087 3.815 1.00 0.45 H new ATOM 0 HA2 GLY A 39 -6.774 -13.910 5.325 1.00 44.13 H new ATOM 0 HA3 GLY A 39 -6.154 -14.852 3.984 1.00 44.13 H new ATOM 601 N GLY A 40 -4.522 -12.102 4.191 1.00 65.00 N ATOM 602 CA GLY A 40 -3.270 -11.397 4.502 1.00 65.25 C ATOM 603 C GLY A 40 -3.520 -10.063 5.196 1.00 31.42 C ATOM 604 O GLY A 40 -4.453 -9.955 5.990 1.00 65.31 O ATOM 0 H GLY A 40 -5.144 -11.577 3.576 1.00 65.00 H new ATOM 0 HA2 GLY A 40 -2.649 -12.026 5.140 1.00 65.25 H new ATOM 0 HA3 GLY A 40 -2.712 -11.227 3.581 1.00 65.25 H new ATOM 608 N ASP A 41 -2.665 -9.065 4.895 1.00 3.14 N ATOM 609 CA ASP A 41 -2.768 -7.668 5.381 1.00 32.03 C ATOM 610 C ASP A 41 -1.602 -6.843 4.789 1.00 72.14 C ATOM 611 O ASP A 41 -0.609 -7.411 4.314 1.00 11.22 O ATOM 612 CB ASP A 41 -2.760 -7.591 6.941 1.00 61.23 C ATOM 613 CG ASP A 41 -2.969 -6.175 7.506 1.00 74.14 C ATOM 614 OD1 ASP A 41 -3.912 -5.485 7.064 1.00 45.14 O ATOM 615 OD2 ASP A 41 -2.201 -5.745 8.388 1.00 32.44 O ATOM 0 H ASP A 41 -1.858 -9.210 4.289 1.00 3.14 H new ATOM 0 HA ASP A 41 -3.721 -7.255 5.050 1.00 32.03 H new ATOM 0 HB2 ASP A 41 -3.542 -8.244 7.329 1.00 61.23 H new ATOM 0 HB3 ASP A 41 -1.810 -7.979 7.307 1.00 61.23 H new ATOM 620 N VAL A 42 -1.739 -5.501 4.789 1.00 34.34 N ATOM 621 CA VAL A 42 -0.663 -4.570 4.380 1.00 62.23 C ATOM 622 C VAL A 42 -0.414 -3.574 5.544 1.00 54.35 C ATOM 623 O VAL A 42 -1.322 -2.868 5.983 1.00 22.13 O ATOM 624 CB VAL A 42 -0.984 -3.825 3.006 1.00 34.14 C ATOM 625 CG1 VAL A 42 -1.165 -4.837 1.844 1.00 15.41 C ATOM 626 CG2 VAL A 42 -2.212 -2.895 3.098 1.00 64.20 C ATOM 0 H VAL A 42 -2.598 -5.031 5.072 1.00 34.34 H new ATOM 0 HA VAL A 42 0.246 -5.138 4.184 1.00 62.23 H new ATOM 0 HB VAL A 42 -0.118 -3.196 2.797 1.00 34.14 H new ATOM 0 HG11 VAL A 42 -1.383 -4.297 0.922 1.00 15.41 H new ATOM 0 HG12 VAL A 42 -0.249 -5.415 1.719 1.00 15.41 H new ATOM 0 HG13 VAL A 42 -1.991 -5.511 2.074 1.00 15.41 H new ATOM 0 HG21 VAL A 42 -2.380 -2.417 2.133 1.00 64.20 H new ATOM 0 HG22 VAL A 42 -3.091 -3.479 3.371 1.00 64.20 H new ATOM 0 HG23 VAL A 42 -2.034 -2.131 3.855 1.00 64.20 H new ATOM 636 N ILE A 43 0.807 -3.578 6.098 1.00 72.44 N ATOM 637 CA ILE A 43 1.173 -2.739 7.253 1.00 11.43 C ATOM 638 C ILE A 43 2.068 -1.596 6.753 1.00 30.22 C ATOM 639 O ILE A 43 3.133 -1.853 6.178 1.00 40.32 O ATOM 640 CB ILE A 43 1.928 -3.540 8.398 1.00 64.45 C ATOM 641 CG1 ILE A 43 1.122 -4.803 8.889 1.00 15.25 C ATOM 642 CG2 ILE A 43 2.255 -2.605 9.597 1.00 15.22 C ATOM 643 CD1 ILE A 43 1.125 -6.003 7.943 1.00 11.12 C ATOM 0 H ILE A 43 1.571 -4.163 5.759 1.00 72.44 H new ATOM 0 HA ILE A 43 0.250 -2.364 7.696 1.00 11.43 H new ATOM 0 HB ILE A 43 2.859 -3.905 7.964 1.00 64.45 H new ATOM 0 HG12 ILE A 43 1.530 -5.120 9.849 1.00 15.25 H new ATOM 0 HG13 ILE A 43 0.088 -4.505 9.064 1.00 15.25 H new ATOM 0 HG21 ILE A 43 2.772 -3.173 10.371 1.00 15.22 H new ATOM 0 HG22 ILE A 43 2.893 -1.789 9.258 1.00 15.22 H new ATOM 0 HG23 ILE A 43 1.329 -2.197 10.004 1.00 15.22 H new ATOM 0 HD11 ILE A 43 0.541 -6.813 8.381 1.00 11.12 H new ATOM 0 HD12 ILE A 43 0.686 -5.714 6.988 1.00 11.12 H new ATOM 0 HD13 ILE A 43 2.150 -6.339 7.785 1.00 11.12 H new ATOM 655 N TYR A 44 1.626 -0.340 6.965 1.00 61.02 N ATOM 656 CA TYR A 44 2.393 0.845 6.564 1.00 50.41 C ATOM 657 C TYR A 44 3.683 0.930 7.401 1.00 73.31 C ATOM 658 O TYR A 44 3.618 1.157 8.615 1.00 44.10 O ATOM 659 CB TYR A 44 1.540 2.133 6.726 1.00 40.41 C ATOM 660 CG TYR A 44 2.246 3.430 6.279 1.00 73.44 C ATOM 661 CD1 TYR A 44 2.453 3.708 4.929 1.00 44.44 C ATOM 662 CD2 TYR A 44 2.699 4.381 7.206 1.00 63.41 C ATOM 663 CE1 TYR A 44 3.073 4.872 4.523 1.00 62.15 C ATOM 664 CE2 TYR A 44 3.312 5.543 6.796 1.00 51.31 C ATOM 665 CZ TYR A 44 3.494 5.784 5.458 1.00 43.21 C ATOM 666 OH TYR A 44 4.098 6.949 5.060 1.00 61.23 O ATOM 0 H TYR A 44 0.736 -0.125 7.415 1.00 61.02 H new ATOM 0 HA TYR A 44 2.661 0.757 5.511 1.00 50.41 H new ATOM 0 HB2 TYR A 44 0.620 2.019 6.152 1.00 40.41 H new ATOM 0 HB3 TYR A 44 1.252 2.233 7.773 1.00 40.41 H new ATOM 0 HD1 TYR A 44 2.121 2.998 4.186 1.00 44.44 H new ATOM 0 HD2 TYR A 44 2.564 4.198 8.262 1.00 63.41 H new ATOM 0 HE1 TYR A 44 3.227 5.065 3.472 1.00 62.15 H new ATOM 0 HE2 TYR A 44 3.649 6.264 7.526 1.00 51.31 H new ATOM 0 HH TYR A 44 4.932 7.073 5.560 1.00 61.23 H new ATOM 676 N LYS A 45 4.834 0.688 6.754 1.00 42.30 N ATOM 677 CA LYS A 45 6.156 0.730 7.409 1.00 72.10 C ATOM 678 C LYS A 45 6.745 2.141 7.323 1.00 24.30 C ATOM 679 O LYS A 45 7.387 2.613 8.276 1.00 65.31 O ATOM 680 CB LYS A 45 7.117 -0.292 6.752 1.00 53.24 C ATOM 681 CG LYS A 45 6.697 -1.779 6.881 1.00 41.52 C ATOM 682 CD LYS A 45 7.034 -2.431 8.261 1.00 15.52 C ATOM 683 CE LYS A 45 6.023 -2.136 9.383 1.00 32.11 C ATOM 684 NZ LYS A 45 6.385 -2.825 10.655 1.00 35.35 N ATOM 0 H LYS A 45 4.877 0.457 5.761 1.00 42.30 H new ATOM 0 HA LYS A 45 6.032 0.465 8.459 1.00 72.10 H new ATOM 0 HB2 LYS A 45 7.210 -0.049 5.694 1.00 53.24 H new ATOM 0 HB3 LYS A 45 8.106 -0.172 7.195 1.00 53.24 H new ATOM 0 HG2 LYS A 45 5.623 -1.856 6.710 1.00 41.52 H new ATOM 0 HG3 LYS A 45 7.187 -2.351 6.094 1.00 41.52 H new ATOM 0 HD2 LYS A 45 7.103 -3.511 8.129 1.00 15.52 H new ATOM 0 HD3 LYS A 45 8.018 -2.086 8.579 1.00 15.52 H new ATOM 0 HE2 LYS A 45 5.975 -1.061 9.554 1.00 32.11 H new ATOM 0 HE3 LYS A 45 5.029 -2.454 9.068 1.00 32.11 H new ATOM 0 HZ1 LYS A 45 5.529 -2.966 11.229 1.00 35.35 H new ATOM 0 HZ2 LYS A 45 6.813 -3.748 10.440 1.00 35.35 H new ATOM 0 HZ3 LYS A 45 7.065 -2.242 11.184 1.00 35.35 H new ATOM 698 N GLY A 46 6.534 2.809 6.173 1.00 4.14 N ATOM 699 CA GLY A 46 7.000 4.183 6.002 1.00 73.11 C ATOM 700 C GLY A 46 6.869 4.699 4.579 1.00 54.44 C ATOM 701 O GLY A 46 6.251 4.061 3.722 1.00 75.32 O ATOM 0 H GLY A 46 6.050 2.420 5.364 1.00 4.14 H new ATOM 0 HA2 GLY A 46 6.435 4.835 6.669 1.00 73.11 H new ATOM 0 HA3 GLY A 46 8.045 4.244 6.306 1.00 73.11 H new ATOM 705 N PHE A 47 7.452 5.884 4.358 1.00 32.35 N ATOM 706 CA PHE A 47 7.513 6.566 3.065 1.00 44.01 C ATOM 707 C PHE A 47 8.871 7.282 3.013 1.00 55.10 C ATOM 708 O PHE A 47 9.107 8.224 3.775 1.00 32.35 O ATOM 709 CB PHE A 47 6.330 7.576 2.934 1.00 14.55 C ATOM 710 CG PHE A 47 6.325 8.424 1.659 1.00 2.30 C ATOM 711 CD1 PHE A 47 5.925 7.878 0.443 1.00 30.44 C ATOM 712 CD2 PHE A 47 6.706 9.773 1.676 1.00 14.23 C ATOM 713 CE1 PHE A 47 5.916 8.636 -0.712 1.00 2.20 C ATOM 714 CE2 PHE A 47 6.700 10.528 0.519 1.00 51.12 C ATOM 715 CZ PHE A 47 6.295 9.962 -0.672 1.00 41.34 C ATOM 0 H PHE A 47 7.909 6.410 5.103 1.00 32.35 H new ATOM 0 HA PHE A 47 7.421 5.865 2.235 1.00 44.01 H new ATOM 0 HB2 PHE A 47 5.394 7.020 2.983 1.00 14.55 H new ATOM 0 HB3 PHE A 47 6.349 8.245 3.794 1.00 14.55 H new ATOM 0 HD1 PHE A 47 5.616 6.844 0.402 1.00 30.44 H new ATOM 0 HD2 PHE A 47 7.009 10.229 2.607 1.00 14.23 H new ATOM 0 HE1 PHE A 47 5.612 8.190 -1.647 1.00 2.20 H new ATOM 0 HE2 PHE A 47 7.012 11.561 0.547 1.00 51.12 H new ATOM 0 HZ PHE A 47 6.275 10.557 -1.573 1.00 41.34 H new ATOM 725 N GLU A 48 9.767 6.806 2.146 1.00 51.03 N ATOM 726 CA GLU A 48 11.121 7.369 1.984 1.00 24.32 C ATOM 727 C GLU A 48 11.315 7.734 0.511 1.00 31.10 C ATOM 728 O GLU A 48 10.980 6.924 -0.364 1.00 41.23 O ATOM 729 CB GLU A 48 12.216 6.361 2.445 1.00 75.44 C ATOM 730 CG GLU A 48 12.083 5.901 3.917 1.00 75.24 C ATOM 731 CD GLU A 48 13.271 5.054 4.415 1.00 73.32 C ATOM 732 OE1 GLU A 48 13.406 3.892 3.973 1.00 74.14 O ATOM 733 OE2 GLU A 48 14.055 5.537 5.268 1.00 62.42 O ATOM 0 H GLU A 48 9.578 6.015 1.530 1.00 51.03 H new ATOM 0 HA GLU A 48 11.220 8.256 2.610 1.00 24.32 H new ATOM 0 HB2 GLU A 48 12.181 5.484 1.799 1.00 75.44 H new ATOM 0 HB3 GLU A 48 13.195 6.819 2.307 1.00 75.44 H new ATOM 0 HG2 GLU A 48 11.983 6.779 4.555 1.00 75.24 H new ATOM 0 HG3 GLU A 48 11.166 5.322 4.025 1.00 75.24 H new ATOM 740 N ASP A 49 11.848 8.955 0.263 1.00 73.21 N ATOM 741 CA ASP A 49 12.089 9.519 -1.085 1.00 15.43 C ATOM 742 C ASP A 49 10.731 9.799 -1.790 1.00 72.14 C ATOM 743 O ASP A 49 10.218 10.924 -1.747 1.00 33.03 O ATOM 744 CB ASP A 49 13.033 8.615 -1.943 1.00 33.24 C ATOM 745 CG ASP A 49 14.377 8.325 -1.242 1.00 25.33 C ATOM 746 OD1 ASP A 49 15.289 9.181 -1.296 1.00 1.34 O ATOM 747 OD2 ASP A 49 14.524 7.253 -0.616 1.00 12.43 O ATOM 0 H ASP A 49 12.128 9.588 1.012 1.00 73.21 H new ATOM 0 HA ASP A 49 12.615 10.467 -0.973 1.00 15.43 H new ATOM 0 HB2 ASP A 49 12.530 7.673 -2.159 1.00 33.24 H new ATOM 0 HB3 ASP A 49 13.224 9.101 -2.900 1.00 33.24 H new ATOM 752 N GLY A 50 10.148 8.739 -2.373 1.00 34.11 N ATOM 753 CA GLY A 50 8.820 8.778 -2.998 1.00 2.44 C ATOM 754 C GLY A 50 8.197 7.394 -3.057 1.00 53.42 C ATOM 755 O GLY A 50 7.218 7.162 -3.769 1.00 3.14 O ATOM 0 H GLY A 50 10.592 7.822 -2.423 1.00 34.11 H new ATOM 0 HA2 GLY A 50 8.170 9.448 -2.435 1.00 2.44 H new ATOM 0 HA3 GLY A 50 8.902 9.186 -4.006 1.00 2.44 H new ATOM 759 N ILE A 51 8.766 6.477 -2.273 1.00 40.30 N ATOM 760 CA ILE A 51 8.403 5.065 -2.273 1.00 13.04 C ATOM 761 C ILE A 51 7.642 4.751 -0.979 1.00 64.03 C ATOM 762 O ILE A 51 8.196 4.889 0.127 1.00 50.31 O ATOM 763 CB ILE A 51 9.691 4.167 -2.392 1.00 70.24 C ATOM 764 CG1 ILE A 51 10.531 4.546 -3.663 1.00 20.24 C ATOM 765 CG2 ILE A 51 9.332 2.666 -2.387 1.00 53.13 C ATOM 766 CD1 ILE A 51 9.806 4.396 -4.995 1.00 41.41 C ATOM 0 H ILE A 51 9.506 6.703 -1.608 1.00 40.30 H new ATOM 0 HA ILE A 51 7.766 4.849 -3.131 1.00 13.04 H new ATOM 0 HB ILE A 51 10.309 4.360 -1.515 1.00 70.24 H new ATOM 0 HG12 ILE A 51 10.862 5.580 -3.564 1.00 20.24 H new ATOM 0 HG13 ILE A 51 11.426 3.925 -3.684 1.00 20.24 H new ATOM 0 HG21 ILE A 51 10.243 2.074 -2.471 1.00 53.13 H new ATOM 0 HG22 ILE A 51 8.821 2.417 -1.457 1.00 53.13 H new ATOM 0 HG23 ILE A 51 8.677 2.446 -3.230 1.00 53.13 H new ATOM 0 HD11 ILE A 51 10.474 4.683 -5.807 1.00 41.41 H new ATOM 0 HD12 ILE A 51 9.499 3.359 -5.127 1.00 41.41 H new ATOM 0 HD13 ILE A 51 8.926 5.039 -5.005 1.00 41.41 H new ATOM 778 N VAL A 52 6.361 4.366 -1.131 1.00 75.21 N ATOM 779 CA VAL A 52 5.511 3.937 -0.019 1.00 44.25 C ATOM 780 C VAL A 52 5.880 2.491 0.329 1.00 64.12 C ATOM 781 O VAL A 52 5.527 1.546 -0.395 1.00 40.41 O ATOM 782 CB VAL A 52 3.976 4.038 -0.350 1.00 63.04 C ATOM 783 CG1 VAL A 52 3.125 3.651 0.882 1.00 23.34 C ATOM 784 CG2 VAL A 52 3.611 5.446 -0.859 1.00 54.31 C ATOM 0 H VAL A 52 5.890 4.346 -2.036 1.00 75.21 H new ATOM 0 HA VAL A 52 5.686 4.604 0.825 1.00 44.25 H new ATOM 0 HB VAL A 52 3.754 3.331 -1.149 1.00 63.04 H new ATOM 0 HG11 VAL A 52 2.067 3.728 0.632 1.00 23.34 H new ATOM 0 HG12 VAL A 52 3.355 2.627 1.176 1.00 23.34 H new ATOM 0 HG13 VAL A 52 3.352 4.325 1.708 1.00 23.34 H new ATOM 0 HG21 VAL A 52 2.544 5.488 -1.080 1.00 54.31 H new ATOM 0 HG22 VAL A 52 3.852 6.183 -0.093 1.00 54.31 H new ATOM 0 HG23 VAL A 52 4.178 5.664 -1.764 1.00 54.31 H new ATOM 794 N GLN A 53 6.621 2.338 1.422 1.00 71.03 N ATOM 795 CA GLN A 53 7.172 1.051 1.850 1.00 54.40 C ATOM 796 C GLN A 53 6.159 0.328 2.746 1.00 12.54 C ATOM 797 O GLN A 53 5.812 0.808 3.839 1.00 13.21 O ATOM 798 CB GLN A 53 8.527 1.292 2.555 1.00 30.13 C ATOM 799 CG GLN A 53 9.615 1.816 1.590 1.00 3.52 C ATOM 800 CD GLN A 53 10.962 2.086 2.249 1.00 54.14 C ATOM 801 OE1 GLN A 53 11.325 1.463 3.250 1.00 73.11 O ATOM 802 NE2 GLN A 53 11.735 2.995 1.668 1.00 13.34 N ATOM 0 H GLN A 53 6.860 3.110 2.044 1.00 71.03 H new ATOM 0 HA GLN A 53 7.356 0.404 0.992 1.00 54.40 H new ATOM 0 HB2 GLN A 53 8.389 2.009 3.364 1.00 30.13 H new ATOM 0 HB3 GLN A 53 8.867 0.361 3.009 1.00 30.13 H new ATOM 0 HG2 GLN A 53 9.755 1.089 0.790 1.00 3.52 H new ATOM 0 HG3 GLN A 53 9.260 2.736 1.126 1.00 3.52 H new ATOM 0 HE21 GLN A 53 11.404 3.492 0.841 1.00 13.34 H new ATOM 0 HE22 GLN A 53 12.660 3.196 2.048 1.00 13.34 H new ATOM 811 N LEU A 54 5.663 -0.816 2.242 1.00 25.44 N ATOM 812 CA LEU A 54 4.595 -1.601 2.872 1.00 40.53 C ATOM 813 C LEU A 54 5.073 -3.025 3.163 1.00 62.54 C ATOM 814 O LEU A 54 5.758 -3.648 2.347 1.00 11.34 O ATOM 815 CB LEU A 54 3.341 -1.660 1.956 1.00 40.14 C ATOM 816 CG LEU A 54 2.698 -0.295 1.582 1.00 34.54 C ATOM 817 CD1 LEU A 54 1.437 -0.495 0.722 1.00 73.12 C ATOM 818 CD2 LEU A 54 2.391 0.537 2.840 1.00 31.02 C ATOM 0 H LEU A 54 6.001 -1.225 1.371 1.00 25.44 H new ATOM 0 HA LEU A 54 4.331 -1.110 3.809 1.00 40.53 H new ATOM 0 HB2 LEU A 54 3.614 -2.174 1.034 1.00 40.14 H new ATOM 0 HB3 LEU A 54 2.585 -2.271 2.449 1.00 40.14 H new ATOM 0 HG LEU A 54 3.420 0.263 0.986 1.00 34.54 H new ATOM 0 HD11 LEU A 54 1.007 0.476 0.475 1.00 73.12 H new ATOM 0 HD12 LEU A 54 1.702 -1.019 -0.196 1.00 73.12 H new ATOM 0 HD13 LEU A 54 0.707 -1.084 1.278 1.00 73.12 H new ATOM 0 HD21 LEU A 54 1.942 1.486 2.548 1.00 31.02 H new ATOM 0 HD22 LEU A 54 1.698 -0.011 3.478 1.00 31.02 H new ATOM 0 HD23 LEU A 54 3.315 0.726 3.386 1.00 31.02 H new ATOM 830 N LYS A 55 4.684 -3.522 4.329 1.00 61.35 N ATOM 831 CA LYS A 55 4.903 -4.902 4.745 1.00 12.34 C ATOM 832 C LYS A 55 3.715 -5.750 4.265 1.00 11.41 C ATOM 833 O LYS A 55 2.585 -5.536 4.715 1.00 21.52 O ATOM 834 CB LYS A 55 5.015 -4.942 6.282 1.00 72.23 C ATOM 835 CG LYS A 55 5.101 -6.342 6.905 1.00 43.12 C ATOM 836 CD LYS A 55 5.112 -6.277 8.443 1.00 31.02 C ATOM 837 CE LYS A 55 5.175 -7.655 9.084 1.00 51.44 C ATOM 838 NZ LYS A 55 5.371 -7.574 10.553 1.00 35.34 N ATOM 0 H LYS A 55 4.196 -2.964 5.029 1.00 61.35 H new ATOM 0 HA LYS A 55 5.822 -5.300 4.314 1.00 12.34 H new ATOM 0 HB2 LYS A 55 5.899 -4.377 6.579 1.00 72.23 H new ATOM 0 HB3 LYS A 55 4.152 -4.428 6.705 1.00 72.23 H new ATOM 0 HG2 LYS A 55 4.254 -6.942 6.571 1.00 43.12 H new ATOM 0 HG3 LYS A 55 6.004 -6.842 6.555 1.00 43.12 H new ATOM 0 HD2 LYS A 55 5.967 -5.687 8.772 1.00 31.02 H new ATOM 0 HD3 LYS A 55 4.217 -5.760 8.788 1.00 31.02 H new ATOM 0 HE2 LYS A 55 4.254 -8.197 8.870 1.00 51.44 H new ATOM 0 HE3 LYS A 55 5.991 -8.225 8.640 1.00 51.44 H new ATOM 0 HZ1 LYS A 55 5.866 -8.426 10.885 1.00 35.34 H new ATOM 0 HZ2 LYS A 55 5.939 -6.733 10.782 1.00 35.34 H new ATOM 0 HZ3 LYS A 55 4.446 -7.506 11.023 1.00 35.34 H new ATOM 852 N LEU A 56 3.956 -6.688 3.343 1.00 24.04 N ATOM 853 CA LEU A 56 2.885 -7.543 2.793 1.00 51.20 C ATOM 854 C LEU A 56 2.856 -8.878 3.569 1.00 73.13 C ATOM 855 O LEU A 56 3.906 -9.478 3.813 1.00 33.24 O ATOM 856 CB LEU A 56 3.087 -7.791 1.269 1.00 64.02 C ATOM 857 CG LEU A 56 3.317 -6.530 0.370 1.00 61.01 C ATOM 858 CD1 LEU A 56 3.304 -6.907 -1.127 1.00 20.22 C ATOM 859 CD2 LEU A 56 2.318 -5.391 0.673 1.00 72.52 C ATOM 0 H LEU A 56 4.881 -6.879 2.958 1.00 24.04 H new ATOM 0 HA LEU A 56 1.928 -7.034 2.912 1.00 51.20 H new ATOM 0 HB2 LEU A 56 3.941 -8.457 1.144 1.00 64.02 H new ATOM 0 HB3 LEU A 56 2.212 -8.321 0.893 1.00 64.02 H new ATOM 0 HG LEU A 56 4.306 -6.145 0.616 1.00 61.01 H new ATOM 0 HD11 LEU A 56 3.466 -6.013 -1.729 1.00 20.22 H new ATOM 0 HD12 LEU A 56 4.097 -7.628 -1.328 1.00 20.22 H new ATOM 0 HD13 LEU A 56 2.340 -7.347 -1.383 1.00 20.22 H new ATOM 0 HD21 LEU A 56 2.525 -4.543 0.020 1.00 72.52 H new ATOM 0 HD22 LEU A 56 1.301 -5.743 0.500 1.00 72.52 H new ATOM 0 HD23 LEU A 56 2.423 -5.082 1.713 1.00 72.52 H new ATOM 871 N GLN A 57 1.645 -9.324 3.948 1.00 30.30 N ATOM 872 CA GLN A 57 1.427 -10.603 4.669 1.00 64.31 C ATOM 873 C GLN A 57 1.078 -11.723 3.672 1.00 51.15 C ATOM 874 O GLN A 57 0.864 -11.456 2.476 1.00 41.34 O ATOM 875 CB GLN A 57 0.287 -10.453 5.708 1.00 42.32 C ATOM 876 CG GLN A 57 0.608 -9.546 6.905 1.00 2.50 C ATOM 877 CD GLN A 57 1.697 -10.106 7.831 1.00 51.21 C ATOM 878 OE1 GLN A 57 1.888 -11.317 7.946 1.00 5.22 O ATOM 879 NE2 GLN A 57 2.391 -9.236 8.537 1.00 64.02 N ATOM 0 H GLN A 57 0.783 -8.810 3.765 1.00 30.30 H new ATOM 0 HA GLN A 57 2.347 -10.864 5.191 1.00 64.31 H new ATOM 0 HB2 GLN A 57 -0.595 -10.061 5.202 1.00 42.32 H new ATOM 0 HB3 GLN A 57 0.026 -11.443 6.082 1.00 42.32 H new ATOM 0 HG2 GLN A 57 0.924 -8.571 6.535 1.00 2.50 H new ATOM 0 HG3 GLN A 57 -0.302 -9.388 7.484 1.00 2.50 H new ATOM 0 HE21 GLN A 57 2.218 -8.237 8.428 1.00 64.02 H new ATOM 0 HE22 GLN A 57 3.101 -9.562 9.193 1.00 64.02 H new ATOM 888 N GLY A 58 0.973 -12.968 4.211 1.00 3.01 N ATOM 889 CA GLY A 58 0.724 -14.186 3.413 1.00 5.11 C ATOM 890 C GLY A 58 -0.583 -14.150 2.615 1.00 50.12 C ATOM 891 O GLY A 58 -1.368 -13.204 2.754 1.00 53.24 O ATOM 0 H GLY A 58 1.060 -13.148 5.211 1.00 3.01 H new ATOM 0 HA2 GLY A 58 1.555 -14.333 2.723 1.00 5.11 H new ATOM 0 HA3 GLY A 58 0.707 -15.048 4.080 1.00 5.11 H new ATOM 895 N SER A 59 -0.789 -15.197 1.778 1.00 64.32 N ATOM 896 CA SER A 59 -1.936 -15.342 0.849 1.00 40.04 C ATOM 897 C SER A 59 -1.756 -14.447 -0.400 1.00 60.14 C ATOM 898 O SER A 59 -1.789 -14.947 -1.537 1.00 64.44 O ATOM 899 CB SER A 59 -3.307 -15.103 1.549 1.00 4.22 C ATOM 900 OG SER A 59 -4.398 -15.378 0.699 1.00 25.12 O ATOM 0 H SER A 59 -0.144 -15.985 1.730 1.00 64.32 H new ATOM 0 HA SER A 59 -1.948 -16.379 0.514 1.00 40.04 H new ATOM 0 HB2 SER A 59 -3.374 -15.732 2.437 1.00 4.22 H new ATOM 0 HB3 SER A 59 -3.364 -14.068 1.887 1.00 4.22 H new ATOM 0 HG SER A 59 -5.226 -15.058 1.115 1.00 25.12 H new ATOM 906 N CYS A 60 -1.550 -13.128 -0.182 1.00 62.52 N ATOM 907 CA CYS A 60 -1.281 -12.158 -1.263 1.00 22.24 C ATOM 908 C CYS A 60 0.187 -12.230 -1.734 1.00 2.52 C ATOM 909 O CYS A 60 0.485 -11.903 -2.888 1.00 22.01 O ATOM 910 CB CYS A 60 -1.631 -10.724 -0.798 1.00 64.44 C ATOM 911 SG CYS A 60 -3.396 -10.460 -0.526 1.00 74.21 S ATOM 0 H CYS A 60 -1.566 -12.709 0.748 1.00 62.52 H new ATOM 0 HA CYS A 60 -1.914 -12.418 -2.111 1.00 22.24 H new ATOM 0 HB2 CYS A 60 -1.094 -10.510 0.126 1.00 64.44 H new ATOM 0 HB3 CYS A 60 -1.277 -10.013 -1.544 1.00 64.44 H new ATOM 0 HG CYS A 60 -4.011 -11.605 -0.527 1.00 74.21 H new ATOM 917 N THR A 61 1.103 -12.642 -0.829 1.00 74.15 N ATOM 918 CA THR A 61 2.528 -12.822 -1.163 1.00 22.24 C ATOM 919 C THR A 61 2.770 -14.132 -1.929 1.00 21.44 C ATOM 920 O THR A 61 3.820 -14.297 -2.566 1.00 31.22 O ATOM 921 CB THR A 61 3.424 -12.791 0.113 1.00 50.34 C ATOM 922 OG1 THR A 61 2.903 -13.697 1.095 1.00 74.40 O ATOM 923 CG2 THR A 61 3.526 -11.382 0.714 1.00 65.53 C ATOM 0 H THR A 61 0.876 -12.856 0.142 1.00 74.15 H new ATOM 0 HA THR A 61 2.804 -11.986 -1.806 1.00 22.24 H new ATOM 0 HB THR A 61 4.427 -13.097 -0.184 1.00 50.34 H new ATOM 0 HG1 THR A 61 3.470 -13.675 1.894 1.00 74.40 H new ATOM 0 HG21 THR A 61 4.160 -11.410 1.600 1.00 65.53 H new ATOM 0 HG22 THR A 61 3.959 -10.703 -0.021 1.00 65.53 H new ATOM 0 HG23 THR A 61 2.532 -11.031 0.990 1.00 65.53 H new ATOM 931 N SER A 62 1.794 -15.061 -1.844 1.00 51.04 N ATOM 932 CA SER A 62 1.817 -16.326 -2.588 1.00 23.54 C ATOM 933 C SER A 62 1.833 -16.043 -4.101 1.00 42.41 C ATOM 934 O SER A 62 0.911 -15.392 -4.605 1.00 5.50 O ATOM 935 CB SER A 62 0.591 -17.186 -2.207 1.00 53.14 C ATOM 936 OG SER A 62 0.547 -17.422 -0.806 1.00 3.24 O ATOM 0 H SER A 62 0.969 -14.949 -1.255 1.00 51.04 H new ATOM 0 HA SER A 62 2.720 -16.879 -2.329 1.00 23.54 H new ATOM 0 HB2 SER A 62 -0.323 -16.682 -2.523 1.00 53.14 H new ATOM 0 HB3 SER A 62 0.631 -18.137 -2.738 1.00 53.14 H new ATOM 0 HG SER A 62 -0.239 -17.967 -0.591 1.00 3.24 H new ATOM 942 N CYS A 63 2.913 -16.506 -4.780 1.00 73.44 N ATOM 943 CA CYS A 63 3.199 -16.251 -6.210 1.00 14.22 C ATOM 944 C CYS A 63 3.549 -14.750 -6.454 1.00 0.11 C ATOM 945 O CYS A 63 2.734 -13.864 -6.143 1.00 0.03 O ATOM 946 CB CYS A 63 2.043 -16.712 -7.143 1.00 64.11 C ATOM 947 SG CYS A 63 1.651 -18.476 -7.028 1.00 50.13 S ATOM 0 H CYS A 63 3.626 -17.082 -4.334 1.00 73.44 H new ATOM 0 HA CYS A 63 4.070 -16.854 -6.466 1.00 14.22 H new ATOM 0 HB2 CYS A 63 1.148 -16.137 -6.905 1.00 64.11 H new ATOM 0 HB3 CYS A 63 2.308 -16.477 -8.174 1.00 64.11 H new ATOM 0 HG CYS A 63 0.676 -18.758 -7.840 1.00 50.13 H new ATOM 953 N PRO A 64 4.778 -14.446 -7.016 1.00 12.33 N ATOM 954 CA PRO A 64 5.216 -13.056 -7.360 1.00 3.20 C ATOM 955 C PRO A 64 4.197 -12.258 -8.200 1.00 13.45 C ATOM 956 O PRO A 64 4.179 -11.028 -8.134 1.00 15.03 O ATOM 957 CB PRO A 64 6.528 -13.275 -8.141 1.00 45.43 C ATOM 958 CG PRO A 64 7.071 -14.552 -7.574 1.00 51.24 C ATOM 959 CD PRO A 64 5.858 -15.428 -7.313 1.00 22.15 C ATOM 0 HA PRO A 64 5.328 -12.450 -6.461 1.00 3.20 H new ATOM 0 HB2 PRO A 64 6.347 -13.358 -9.213 1.00 45.43 H new ATOM 0 HB3 PRO A 64 7.222 -12.447 -7.998 1.00 45.43 H new ATOM 0 HG2 PRO A 64 7.758 -15.031 -8.272 1.00 51.24 H new ATOM 0 HG3 PRO A 64 7.627 -14.368 -6.655 1.00 51.24 H new ATOM 0 HD2 PRO A 64 5.614 -16.044 -8.179 1.00 22.15 H new ATOM 0 HD3 PRO A 64 6.025 -16.106 -6.476 1.00 22.15 H new ATOM 967 N SER A 65 3.357 -12.979 -8.972 1.00 41.13 N ATOM 968 CA SER A 65 2.281 -12.396 -9.798 1.00 32.23 C ATOM 969 C SER A 65 1.319 -11.555 -8.933 1.00 51.14 C ATOM 970 O SER A 65 1.001 -10.418 -9.282 1.00 64.13 O ATOM 971 CB SER A 65 1.491 -13.518 -10.515 1.00 25.31 C ATOM 972 OG SER A 65 0.487 -12.990 -11.381 1.00 62.11 O ATOM 0 H SER A 65 3.408 -13.995 -9.039 1.00 41.13 H new ATOM 0 HA SER A 65 2.740 -11.745 -10.542 1.00 32.23 H new ATOM 0 HB2 SER A 65 2.180 -14.136 -11.091 1.00 25.31 H new ATOM 0 HB3 SER A 65 1.026 -14.166 -9.772 1.00 25.31 H new ATOM 0 HG SER A 65 0.010 -13.727 -11.817 1.00 62.11 H new ATOM 978 N SER A 66 0.887 -12.133 -7.792 1.00 71.33 N ATOM 979 CA SER A 66 -0.059 -11.484 -6.865 1.00 54.33 C ATOM 980 C SER A 66 0.598 -10.323 -6.089 1.00 1.54 C ATOM 981 O SER A 66 -0.093 -9.388 -5.681 1.00 35.52 O ATOM 982 CB SER A 66 -0.639 -12.533 -5.901 1.00 74.23 C ATOM 983 OG SER A 66 -1.311 -13.553 -6.623 1.00 55.10 O ATOM 0 H SER A 66 1.185 -13.061 -7.490 1.00 71.33 H new ATOM 0 HA SER A 66 -0.868 -11.050 -7.453 1.00 54.33 H new ATOM 0 HB2 SER A 66 0.162 -12.969 -5.304 1.00 74.23 H new ATOM 0 HB3 SER A 66 -1.330 -12.055 -5.207 1.00 74.23 H new ATOM 0 HG SER A 66 -1.673 -14.214 -5.996 1.00 55.10 H new ATOM 989 N ILE A 67 1.930 -10.420 -5.877 1.00 14.51 N ATOM 990 CA ILE A 67 2.742 -9.335 -5.279 1.00 33.43 C ATOM 991 C ILE A 67 2.770 -8.103 -6.216 1.00 4.20 C ATOM 992 O ILE A 67 2.645 -6.964 -5.749 1.00 31.33 O ATOM 993 CB ILE A 67 4.218 -9.806 -4.995 1.00 73.01 C ATOM 994 CG1 ILE A 67 4.231 -11.073 -4.084 1.00 34.01 C ATOM 995 CG2 ILE A 67 5.068 -8.663 -4.374 1.00 31.24 C ATOM 996 CD1 ILE A 67 5.611 -11.672 -3.855 1.00 73.05 C ATOM 0 H ILE A 67 2.472 -11.251 -6.115 1.00 14.51 H new ATOM 0 HA ILE A 67 2.276 -9.065 -4.331 1.00 33.43 H new ATOM 0 HB ILE A 67 4.672 -10.071 -5.950 1.00 73.01 H new ATOM 0 HG12 ILE A 67 3.796 -10.815 -3.118 1.00 34.01 H new ATOM 0 HG13 ILE A 67 3.589 -11.832 -4.530 1.00 34.01 H new ATOM 0 HG21 ILE A 67 6.081 -9.021 -4.190 1.00 31.24 H new ATOM 0 HG22 ILE A 67 5.101 -7.819 -5.063 1.00 31.24 H new ATOM 0 HG23 ILE A 67 4.619 -8.346 -3.433 1.00 31.24 H new ATOM 0 HD11 ILE A 67 5.525 -12.548 -3.212 1.00 73.05 H new ATOM 0 HD12 ILE A 67 6.044 -11.966 -4.811 1.00 73.05 H new ATOM 0 HD13 ILE A 67 6.254 -10.932 -3.378 1.00 73.05 H new ATOM 1008 N ILE A 68 2.948 -8.361 -7.536 1.00 14.31 N ATOM 1009 CA ILE A 68 2.953 -7.314 -8.583 1.00 43.44 C ATOM 1010 C ILE A 68 1.577 -6.628 -8.637 1.00 63.41 C ATOM 1011 O ILE A 68 1.499 -5.400 -8.653 1.00 51.02 O ATOM 1012 CB ILE A 68 3.317 -7.910 -10.001 1.00 43.13 C ATOM 1013 CG1 ILE A 68 4.738 -8.566 -9.981 1.00 55.43 C ATOM 1014 CG2 ILE A 68 3.217 -6.838 -11.125 1.00 23.35 C ATOM 1015 CD1 ILE A 68 5.059 -9.412 -11.203 1.00 51.10 C ATOM 0 H ILE A 68 3.092 -9.302 -7.902 1.00 14.31 H new ATOM 0 HA ILE A 68 3.718 -6.582 -8.325 1.00 43.44 H new ATOM 0 HB ILE A 68 2.583 -8.684 -10.226 1.00 43.13 H new ATOM 0 HG12 ILE A 68 5.487 -7.779 -9.893 1.00 55.43 H new ATOM 0 HG13 ILE A 68 4.824 -9.189 -9.091 1.00 55.43 H new ATOM 0 HG21 ILE A 68 3.475 -7.290 -12.083 1.00 23.35 H new ATOM 0 HG22 ILE A 68 2.199 -6.451 -11.169 1.00 23.35 H new ATOM 0 HG23 ILE A 68 3.907 -6.021 -10.911 1.00 23.35 H new ATOM 0 HD11 ILE A 68 6.062 -9.827 -11.105 1.00 51.10 H new ATOM 0 HD12 ILE A 68 4.336 -10.224 -11.283 1.00 51.10 H new ATOM 0 HD13 ILE A 68 5.009 -8.792 -12.098 1.00 51.10 H new ATOM 1027 N THR A 69 0.505 -7.451 -8.619 1.00 12.25 N ATOM 1028 CA THR A 69 -0.889 -6.981 -8.679 1.00 72.15 C ATOM 1029 C THR A 69 -1.248 -6.120 -7.443 1.00 52.21 C ATOM 1030 O THR A 69 -1.921 -5.085 -7.571 1.00 12.33 O ATOM 1031 CB THR A 69 -1.863 -8.207 -8.788 1.00 22.40 C ATOM 1032 OG1 THR A 69 -1.451 -9.053 -9.878 1.00 71.11 O ATOM 1033 CG2 THR A 69 -3.329 -7.785 -9.006 1.00 3.41 C ATOM 0 H THR A 69 0.588 -8.466 -8.562 1.00 12.25 H new ATOM 0 HA THR A 69 -0.998 -6.355 -9.564 1.00 72.15 H new ATOM 0 HB THR A 69 -1.812 -8.742 -7.840 1.00 22.40 H new ATOM 0 HG1 THR A 69 -0.647 -9.551 -9.620 1.00 71.11 H new ATOM 0 HG21 THR A 69 -3.957 -8.673 -9.074 1.00 3.41 H new ATOM 0 HG22 THR A 69 -3.659 -7.170 -8.168 1.00 3.41 H new ATOM 0 HG23 THR A 69 -3.409 -7.212 -9.930 1.00 3.41 H new ATOM 1041 N LEU A 70 -0.772 -6.555 -6.256 1.00 24.43 N ATOM 1042 CA LEU A 70 -1.007 -5.844 -4.992 1.00 33.11 C ATOM 1043 C LEU A 70 -0.263 -4.491 -5.001 1.00 22.10 C ATOM 1044 O LEU A 70 -0.863 -3.461 -4.718 1.00 21.04 O ATOM 1045 CB LEU A 70 -0.581 -6.724 -3.785 1.00 52.43 C ATOM 1046 CG LEU A 70 -0.956 -6.177 -2.365 1.00 13.14 C ATOM 1047 CD1 LEU A 70 -2.475 -5.916 -2.236 1.00 41.12 C ATOM 1048 CD2 LEU A 70 -0.462 -7.129 -1.262 1.00 65.41 C ATOM 0 H LEU A 70 -0.218 -7.405 -6.153 1.00 24.43 H new ATOM 0 HA LEU A 70 -2.073 -5.641 -4.888 1.00 33.11 H new ATOM 0 HB2 LEU A 70 -1.032 -7.709 -3.903 1.00 52.43 H new ATOM 0 HB3 LEU A 70 0.500 -6.861 -3.825 1.00 52.43 H new ATOM 0 HG LEU A 70 -0.451 -5.220 -2.238 1.00 13.14 H new ATOM 0 HD11 LEU A 70 -2.696 -5.538 -1.238 1.00 41.12 H new ATOM 0 HD12 LEU A 70 -2.782 -5.180 -2.979 1.00 41.12 H new ATOM 0 HD13 LEU A 70 -3.019 -6.846 -2.400 1.00 41.12 H new ATOM 0 HD21 LEU A 70 -0.734 -6.727 -0.286 1.00 65.41 H new ATOM 0 HD22 LEU A 70 -0.923 -8.108 -1.393 1.00 65.41 H new ATOM 0 HD23 LEU A 70 0.622 -7.227 -1.324 1.00 65.41 H new ATOM 1060 N LYS A 71 1.039 -4.521 -5.388 1.00 14.31 N ATOM 1061 CA LYS A 71 1.885 -3.310 -5.541 1.00 74.11 C ATOM 1062 C LYS A 71 1.228 -2.299 -6.501 1.00 40.12 C ATOM 1063 O LYS A 71 1.141 -1.117 -6.189 1.00 31.53 O ATOM 1064 CB LYS A 71 3.295 -3.686 -6.096 1.00 20.33 C ATOM 1065 CG LYS A 71 4.223 -2.458 -6.375 1.00 10.22 C ATOM 1066 CD LYS A 71 5.456 -2.788 -7.252 1.00 1.24 C ATOM 1067 CE LYS A 71 6.468 -3.726 -6.575 1.00 4.02 C ATOM 1068 NZ LYS A 71 7.168 -3.078 -5.425 1.00 4.24 N ATOM 0 H LYS A 71 1.532 -5.388 -5.603 1.00 14.31 H new ATOM 0 HA LYS A 71 1.990 -2.859 -4.554 1.00 74.11 H new ATOM 0 HB2 LYS A 71 3.789 -4.346 -5.383 1.00 20.33 H new ATOM 0 HB3 LYS A 71 3.171 -4.250 -7.020 1.00 20.33 H new ATOM 0 HG2 LYS A 71 3.640 -1.678 -6.865 1.00 10.22 H new ATOM 0 HG3 LYS A 71 4.565 -2.050 -5.424 1.00 10.22 H new ATOM 0 HD2 LYS A 71 5.117 -3.245 -8.181 1.00 1.24 H new ATOM 0 HD3 LYS A 71 5.959 -1.859 -7.519 1.00 1.24 H new ATOM 0 HE2 LYS A 71 5.952 -4.620 -6.225 1.00 4.02 H new ATOM 0 HE3 LYS A 71 7.206 -4.050 -7.309 1.00 4.02 H new ATOM 0 HZ1 LYS A 71 8.184 -3.002 -5.635 1.00 4.24 H new ATOM 0 HZ2 LYS A 71 6.774 -2.128 -5.270 1.00 4.24 H new ATOM 0 HZ3 LYS A 71 7.034 -3.652 -4.569 1.00 4.24 H new ATOM 1082 N ASN A 72 0.759 -2.826 -7.647 1.00 54.43 N ATOM 1083 CA ASN A 72 0.309 -2.039 -8.812 1.00 12.44 C ATOM 1084 C ASN A 72 -0.988 -1.272 -8.497 1.00 72.12 C ATOM 1085 O ASN A 72 -1.072 -0.070 -8.751 1.00 74.10 O ATOM 1086 CB ASN A 72 0.110 -3.005 -10.023 1.00 1.23 C ATOM 1087 CG ASN A 72 0.105 -2.338 -11.405 1.00 14.21 C ATOM 1088 OD1 ASN A 72 -0.336 -1.206 -11.586 1.00 63.55 O ATOM 1089 ND2 ASN A 72 0.614 -3.051 -12.399 1.00 51.52 N ATOM 0 H ASN A 72 0.680 -3.832 -7.793 1.00 54.43 H new ATOM 0 HA ASN A 72 1.066 -1.295 -9.061 1.00 12.44 H new ATOM 0 HB2 ASN A 72 0.902 -3.753 -10.003 1.00 1.23 H new ATOM 0 HB3 ASN A 72 -0.833 -3.536 -9.891 1.00 1.23 H new ATOM 0 HD21 ASN A 72 0.646 -2.662 -13.341 1.00 51.52 H new ATOM 0 HD22 ASN A 72 0.974 -3.989 -12.222 1.00 51.52 H new ATOM 1096 N GLY A 73 -1.979 -1.991 -7.926 1.00 54.31 N ATOM 1097 CA GLY A 73 -3.277 -1.402 -7.564 1.00 12.14 C ATOM 1098 C GLY A 73 -3.152 -0.331 -6.475 1.00 41.32 C ATOM 1099 O GLY A 73 -3.713 0.769 -6.614 1.00 43.32 O ATOM 0 H GLY A 73 -1.899 -2.984 -7.707 1.00 54.31 H new ATOM 0 HA2 GLY A 73 -3.733 -0.962 -8.451 1.00 12.14 H new ATOM 0 HA3 GLY A 73 -3.946 -2.190 -7.219 1.00 12.14 H new ATOM 1103 N ILE A 74 -2.383 -0.664 -5.411 1.00 63.42 N ATOM 1104 CA ILE A 74 -2.063 0.263 -4.300 1.00 12.42 C ATOM 1105 C ILE A 74 -1.345 1.520 -4.834 1.00 74.55 C ATOM 1106 O ILE A 74 -1.656 2.645 -4.430 1.00 32.14 O ATOM 1107 CB ILE A 74 -1.150 -0.437 -3.213 1.00 3.40 C ATOM 1108 CG1 ILE A 74 -1.905 -1.606 -2.505 1.00 23.24 C ATOM 1109 CG2 ILE A 74 -0.616 0.577 -2.173 1.00 73.02 C ATOM 1110 CD1 ILE A 74 -1.060 -2.398 -1.509 1.00 71.42 C ATOM 0 H ILE A 74 -1.965 -1.588 -5.299 1.00 63.42 H new ATOM 0 HA ILE A 74 -3.005 0.552 -3.834 1.00 12.42 H new ATOM 0 HB ILE A 74 -0.292 -0.855 -3.739 1.00 3.40 H new ATOM 0 HG12 ILE A 74 -2.771 -1.199 -1.983 1.00 23.24 H new ATOM 0 HG13 ILE A 74 -2.283 -2.290 -3.265 1.00 23.24 H new ATOM 0 HG21 ILE A 74 0.006 0.057 -1.444 1.00 73.02 H new ATOM 0 HG22 ILE A 74 -0.023 1.339 -2.679 1.00 73.02 H new ATOM 0 HG23 ILE A 74 -1.455 1.050 -1.662 1.00 73.02 H new ATOM 0 HD11 ILE A 74 -1.665 -3.189 -1.066 1.00 71.42 H new ATOM 0 HD12 ILE A 74 -0.208 -2.840 -2.025 1.00 71.42 H new ATOM 0 HD13 ILE A 74 -0.703 -1.732 -0.724 1.00 71.42 H new ATOM 1122 N GLN A 75 -0.387 1.290 -5.753 1.00 61.11 N ATOM 1123 CA GLN A 75 0.456 2.343 -6.327 1.00 2.55 C ATOM 1124 C GLN A 75 -0.396 3.342 -7.108 1.00 24.12 C ATOM 1125 O GLN A 75 -0.332 4.530 -6.834 1.00 14.13 O ATOM 1126 CB GLN A 75 1.563 1.728 -7.213 1.00 22.33 C ATOM 1127 CG GLN A 75 2.660 2.714 -7.645 1.00 24.32 C ATOM 1128 CD GLN A 75 3.809 2.064 -8.409 1.00 25.15 C ATOM 1129 OE1 GLN A 75 4.426 2.690 -9.276 1.00 13.14 O ATOM 1130 NE2 GLN A 75 4.142 0.814 -8.078 1.00 34.45 N ATOM 0 H GLN A 75 -0.179 0.360 -6.117 1.00 61.11 H new ATOM 0 HA GLN A 75 0.943 2.884 -5.516 1.00 2.55 H new ATOM 0 HB2 GLN A 75 2.027 0.904 -6.672 1.00 22.33 H new ATOM 0 HB3 GLN A 75 1.102 1.304 -8.105 1.00 22.33 H new ATOM 0 HG2 GLN A 75 2.214 3.488 -8.269 1.00 24.32 H new ATOM 0 HG3 GLN A 75 3.059 3.209 -6.760 1.00 24.32 H new ATOM 0 HE21 GLN A 75 3.615 0.320 -7.358 1.00 34.45 H new ATOM 0 HE22 GLN A 75 4.923 0.354 -8.545 1.00 34.45 H new ATOM 1139 N ASN A 76 -1.247 2.822 -8.015 1.00 35.24 N ATOM 1140 CA ASN A 76 -2.166 3.639 -8.837 1.00 32.53 C ATOM 1141 C ASN A 76 -3.125 4.463 -7.952 1.00 11.43 C ATOM 1142 O ASN A 76 -3.445 5.603 -8.283 1.00 54.13 O ATOM 1143 CB ASN A 76 -2.973 2.732 -9.805 1.00 51.33 C ATOM 1144 CG ASN A 76 -2.107 2.078 -10.893 1.00 5.32 C ATOM 1145 OD1 ASN A 76 -1.139 2.667 -11.387 1.00 12.54 O ATOM 1146 ND2 ASN A 76 -2.439 0.852 -11.266 1.00 52.34 N ATOM 0 H ASN A 76 -1.317 1.821 -8.200 1.00 35.24 H new ATOM 0 HA ASN A 76 -1.565 4.336 -9.422 1.00 32.53 H new ATOM 0 HB2 ASN A 76 -3.471 1.952 -9.230 1.00 51.33 H new ATOM 0 HB3 ASN A 76 -3.754 3.325 -10.281 1.00 51.33 H new ATOM 0 HD21 ASN A 76 -1.891 0.370 -11.978 1.00 52.34 H new ATOM 0 HD22 ASN A 76 -3.243 0.390 -10.841 1.00 52.34 H new ATOM 1153 N MET A 77 -3.562 3.866 -6.823 1.00 21.31 N ATOM 1154 CA MET A 77 -4.449 4.530 -5.847 1.00 1.01 C ATOM 1155 C MET A 77 -3.730 5.735 -5.207 1.00 22.11 C ATOM 1156 O MET A 77 -4.185 6.874 -5.321 1.00 22.40 O ATOM 1157 CB MET A 77 -4.889 3.530 -4.742 1.00 30.21 C ATOM 1158 CG MET A 77 -5.864 4.112 -3.697 1.00 35.43 C ATOM 1159 SD MET A 77 -6.114 3.015 -2.285 1.00 45.30 S ATOM 1160 CE MET A 77 -4.505 3.076 -1.491 1.00 73.44 C ATOM 0 H MET A 77 -3.310 2.912 -6.564 1.00 21.31 H new ATOM 0 HA MET A 77 -5.336 4.883 -6.373 1.00 1.01 H new ATOM 0 HB2 MET A 77 -5.358 2.668 -5.217 1.00 30.21 H new ATOM 0 HB3 MET A 77 -4.001 3.165 -4.227 1.00 30.21 H new ATOM 0 HG2 MET A 77 -5.481 5.070 -3.344 1.00 35.43 H new ATOM 0 HG3 MET A 77 -6.825 4.308 -4.173 1.00 35.43 H new ATOM 0 HE1 MET A 77 -4.617 2.877 -0.425 1.00 73.44 H new ATOM 0 HE2 MET A 77 -3.852 2.324 -1.934 1.00 73.44 H new ATOM 0 HE3 MET A 77 -4.067 4.064 -1.631 1.00 73.44 H new ATOM 1170 N LEU A 78 -2.570 5.455 -4.590 1.00 14.14 N ATOM 1171 CA LEU A 78 -1.777 6.450 -3.848 1.00 72.41 C ATOM 1172 C LEU A 78 -1.194 7.537 -4.777 1.00 72.32 C ATOM 1173 O LEU A 78 -0.984 8.660 -4.335 1.00 50.13 O ATOM 1174 CB LEU A 78 -0.651 5.736 -3.053 1.00 41.21 C ATOM 1175 CG LEU A 78 -1.122 4.820 -1.880 1.00 71.25 C ATOM 1176 CD1 LEU A 78 0.063 4.055 -1.269 1.00 13.23 C ATOM 1177 CD2 LEU A 78 -1.875 5.634 -0.805 1.00 43.21 C ATOM 0 H LEU A 78 -2.153 4.524 -4.592 1.00 14.14 H new ATOM 0 HA LEU A 78 -2.442 6.958 -3.149 1.00 72.41 H new ATOM 0 HB2 LEU A 78 -0.068 5.132 -3.749 1.00 41.21 H new ATOM 0 HB3 LEU A 78 0.020 6.495 -2.650 1.00 41.21 H new ATOM 0 HG LEU A 78 -1.818 4.087 -2.287 1.00 71.25 H new ATOM 0 HD11 LEU A 78 -0.292 3.424 -0.454 1.00 13.23 H new ATOM 0 HD12 LEU A 78 0.527 3.432 -2.034 1.00 13.23 H new ATOM 0 HD13 LEU A 78 0.796 4.765 -0.885 1.00 13.23 H new ATOM 0 HD21 LEU A 78 -2.191 4.970 -0.001 1.00 43.21 H new ATOM 0 HD22 LEU A 78 -1.216 6.403 -0.403 1.00 43.21 H new ATOM 0 HD23 LEU A 78 -2.751 6.105 -1.252 1.00 43.21 H new ATOM 1189 N GLN A 79 -0.946 7.190 -6.057 1.00 52.44 N ATOM 1190 CA GLN A 79 -0.449 8.151 -7.074 1.00 22.14 C ATOM 1191 C GLN A 79 -1.578 9.075 -7.542 1.00 65.04 C ATOM 1192 O GLN A 79 -1.338 10.258 -7.820 1.00 10.23 O ATOM 1193 CB GLN A 79 0.178 7.424 -8.296 1.00 64.15 C ATOM 1194 CG GLN A 79 1.514 6.725 -7.994 1.00 2.14 C ATOM 1195 CD GLN A 79 2.136 6.038 -9.206 1.00 11.03 C ATOM 1196 OE1 GLN A 79 1.439 5.554 -10.099 1.00 5.15 O ATOM 1197 NE2 GLN A 79 3.455 5.986 -9.248 1.00 74.35 N ATOM 0 H GLN A 79 -1.082 6.245 -6.416 1.00 52.44 H new ATOM 0 HA GLN A 79 0.330 8.748 -6.600 1.00 22.14 H new ATOM 0 HB2 GLN A 79 -0.531 6.684 -8.668 1.00 64.15 H new ATOM 0 HB3 GLN A 79 0.332 8.148 -9.096 1.00 64.15 H new ATOM 0 HG2 GLN A 79 2.218 7.460 -7.603 1.00 2.14 H new ATOM 0 HG3 GLN A 79 1.357 5.985 -7.209 1.00 2.14 H new ATOM 0 HE21 GLN A 79 4.006 6.396 -8.494 1.00 74.35 H new ATOM 0 HE22 GLN A 79 3.923 5.536 -10.035 1.00 74.35 H new ATOM 1206 N PHE A 80 -2.805 8.517 -7.623 1.00 25.43 N ATOM 1207 CA PHE A 80 -4.006 9.243 -8.068 1.00 74.32 C ATOM 1208 C PHE A 80 -4.300 10.403 -7.101 1.00 55.01 C ATOM 1209 O PHE A 80 -4.463 11.552 -7.518 1.00 23.30 O ATOM 1210 CB PHE A 80 -5.213 8.265 -8.140 1.00 61.21 C ATOM 1211 CG PHE A 80 -6.510 8.859 -8.684 1.00 0.32 C ATOM 1212 CD1 PHE A 80 -6.579 9.330 -9.996 1.00 45.40 C ATOM 1213 CD2 PHE A 80 -7.664 8.935 -7.899 1.00 71.44 C ATOM 1214 CE1 PHE A 80 -7.752 9.857 -10.501 1.00 42.14 C ATOM 1215 CE2 PHE A 80 -8.836 9.464 -8.406 1.00 24.14 C ATOM 1216 CZ PHE A 80 -8.880 9.926 -9.706 1.00 23.42 C ATOM 0 H PHE A 80 -2.987 7.544 -7.379 1.00 25.43 H new ATOM 0 HA PHE A 80 -3.836 9.657 -9.062 1.00 74.32 H new ATOM 0 HB2 PHE A 80 -4.933 7.416 -8.764 1.00 61.21 H new ATOM 0 HB3 PHE A 80 -5.403 7.877 -7.140 1.00 61.21 H new ATOM 0 HD1 PHE A 80 -5.703 9.282 -10.626 1.00 45.40 H new ATOM 0 HD2 PHE A 80 -7.640 8.575 -6.881 1.00 71.44 H new ATOM 0 HE1 PHE A 80 -7.787 10.216 -11.519 1.00 42.14 H new ATOM 0 HE2 PHE A 80 -9.718 9.516 -7.785 1.00 24.14 H new ATOM 0 HZ PHE A 80 -9.795 10.341 -10.101 1.00 23.42 H new ATOM 1226 N TYR A 81 -4.306 10.085 -5.799 1.00 24.54 N ATOM 1227 CA TYR A 81 -4.607 11.052 -4.732 1.00 32.55 C ATOM 1228 C TYR A 81 -3.391 11.942 -4.399 1.00 62.22 C ATOM 1229 O TYR A 81 -3.554 13.134 -4.110 1.00 2.00 O ATOM 1230 CB TYR A 81 -5.109 10.297 -3.470 1.00 54.54 C ATOM 1231 CG TYR A 81 -6.504 9.667 -3.656 1.00 11.13 C ATOM 1232 CD1 TYR A 81 -7.663 10.389 -3.363 1.00 10.31 C ATOM 1233 CD2 TYR A 81 -6.663 8.367 -4.152 1.00 23.13 C ATOM 1234 CE1 TYR A 81 -8.915 9.846 -3.564 1.00 40.12 C ATOM 1235 CE2 TYR A 81 -7.917 7.821 -4.347 1.00 21.22 C ATOM 1236 CZ TYR A 81 -9.035 8.564 -4.053 1.00 73.33 C ATOM 1237 OH TYR A 81 -10.289 8.034 -4.260 1.00 73.13 O ATOM 0 H TYR A 81 -4.102 9.147 -5.454 1.00 24.54 H new ATOM 0 HA TYR A 81 -5.394 11.718 -5.088 1.00 32.55 H new ATOM 0 HB2 TYR A 81 -4.395 9.514 -3.214 1.00 54.54 H new ATOM 0 HB3 TYR A 81 -5.139 10.989 -2.628 1.00 54.54 H new ATOM 0 HD1 TYR A 81 -7.577 11.392 -2.971 1.00 10.31 H new ATOM 0 HD2 TYR A 81 -5.788 7.779 -4.387 1.00 23.13 H new ATOM 0 HE1 TYR A 81 -9.799 10.424 -3.339 1.00 40.12 H new ATOM 0 HE2 TYR A 81 -8.018 6.816 -4.728 1.00 21.22 H new ATOM 0 HH TYR A 81 -10.255 7.392 -5.000 1.00 73.13 H new ATOM 1247 N ILE A 82 -2.174 11.355 -4.452 1.00 72.15 N ATOM 1248 CA ILE A 82 -0.930 12.000 -3.952 1.00 5.22 C ATOM 1249 C ILE A 82 0.167 11.999 -5.050 1.00 75.11 C ATOM 1250 O ILE A 82 0.637 10.924 -5.444 1.00 65.24 O ATOM 1251 CB ILE A 82 -0.385 11.241 -2.678 1.00 12.44 C ATOM 1252 CG1 ILE A 82 -1.534 10.957 -1.663 1.00 52.12 C ATOM 1253 CG2 ILE A 82 0.769 12.028 -2.010 1.00 35.23 C ATOM 1254 CD1 ILE A 82 -1.179 9.975 -0.571 1.00 12.22 C ATOM 0 H ILE A 82 -2.023 10.424 -4.840 1.00 72.15 H new ATOM 0 HA ILE A 82 -1.173 13.029 -3.685 1.00 5.22 H new ATOM 0 HB ILE A 82 0.015 10.282 -3.006 1.00 12.44 H new ATOM 0 HG12 ILE A 82 -1.836 11.898 -1.203 1.00 52.12 H new ATOM 0 HG13 ILE A 82 -2.398 10.577 -2.209 1.00 52.12 H new ATOM 0 HG21 ILE A 82 1.124 11.482 -1.136 1.00 35.23 H new ATOM 0 HG22 ILE A 82 1.587 12.147 -2.720 1.00 35.23 H new ATOM 0 HG23 ILE A 82 0.409 13.010 -1.703 1.00 35.23 H new ATOM 0 HD11 ILE A 82 -2.036 9.838 0.088 1.00 12.22 H new ATOM 0 HD12 ILE A 82 -0.907 9.018 -1.016 1.00 12.22 H new ATOM 0 HD13 ILE A 82 -0.337 10.360 0.004 1.00 12.22 H new ATOM 1266 N PRO A 83 0.605 13.202 -5.557 1.00 10.40 N ATOM 1267 CA PRO A 83 1.712 13.311 -6.559 1.00 55.42 C ATOM 1268 C PRO A 83 3.112 12.996 -5.976 1.00 41.22 C ATOM 1269 O PRO A 83 4.082 12.864 -6.730 1.00 75.32 O ATOM 1270 CB PRO A 83 1.606 14.787 -7.044 1.00 40.13 C ATOM 1271 CG PRO A 83 0.995 15.525 -5.885 1.00 4.21 C ATOM 1272 CD PRO A 83 0.029 14.547 -5.234 1.00 3.22 C ATOM 0 HA PRO A 83 1.607 12.579 -7.360 1.00 55.42 H new ATOM 0 HB2 PRO A 83 2.585 15.192 -7.299 1.00 40.13 H new ATOM 0 HB3 PRO A 83 0.985 14.867 -7.936 1.00 40.13 H new ATOM 0 HG2 PRO A 83 1.761 15.847 -5.179 1.00 4.21 H new ATOM 0 HG3 PRO A 83 0.475 16.422 -6.223 1.00 4.21 H new ATOM 0 HD2 PRO A 83 -0.035 14.706 -4.158 1.00 3.22 H new ATOM 0 HD3 PRO A 83 -0.979 14.656 -5.633 1.00 3.22 H new ATOM 1280 N GLU A 84 3.207 12.868 -4.636 1.00 74.24 N ATOM 1281 CA GLU A 84 4.481 12.591 -3.935 1.00 41.15 C ATOM 1282 C GLU A 84 4.878 11.112 -4.088 1.00 71.12 C ATOM 1283 O GLU A 84 6.068 10.773 -4.059 1.00 30.03 O ATOM 1284 CB GLU A 84 4.365 12.975 -2.425 1.00 60.42 C ATOM 1285 CG GLU A 84 3.735 14.366 -2.156 1.00 75.23 C ATOM 1286 CD GLU A 84 4.431 15.523 -2.901 1.00 11.11 C ATOM 1287 OE1 GLU A 84 5.477 16.005 -2.424 1.00 64.42 O ATOM 1288 OE2 GLU A 84 3.934 15.950 -3.967 1.00 13.32 O ATOM 0 H GLU A 84 2.406 12.953 -4.010 1.00 74.24 H new ATOM 0 HA GLU A 84 5.262 13.201 -4.389 1.00 41.15 H new ATOM 0 HB2 GLU A 84 3.769 12.217 -1.916 1.00 60.42 H new ATOM 0 HB3 GLU A 84 5.360 12.950 -1.980 1.00 60.42 H new ATOM 0 HG2 GLU A 84 2.685 14.340 -2.446 1.00 75.23 H new ATOM 0 HG3 GLU A 84 3.765 14.566 -1.085 1.00 75.23 H new ATOM 1295 N VAL A 85 3.863 10.241 -4.244 1.00 34.35 N ATOM 1296 CA VAL A 85 4.058 8.796 -4.416 1.00 14.21 C ATOM 1297 C VAL A 85 4.587 8.496 -5.831 1.00 24.11 C ATOM 1298 O VAL A 85 3.837 8.527 -6.808 1.00 24.44 O ATOM 1299 CB VAL A 85 2.729 8.000 -4.146 1.00 0.52 C ATOM 1300 CG1 VAL A 85 2.912 6.470 -4.364 1.00 11.33 C ATOM 1301 CG2 VAL A 85 2.190 8.309 -2.727 1.00 12.35 C ATOM 0 H VAL A 85 2.883 10.525 -4.254 1.00 34.35 H new ATOM 0 HA VAL A 85 4.795 8.467 -3.684 1.00 14.21 H new ATOM 0 HB VAL A 85 1.989 8.334 -4.873 1.00 0.52 H new ATOM 0 HG11 VAL A 85 1.970 5.959 -4.167 1.00 11.33 H new ATOM 0 HG12 VAL A 85 3.217 6.283 -5.394 1.00 11.33 H new ATOM 0 HG13 VAL A 85 3.677 6.095 -3.685 1.00 11.33 H new ATOM 0 HG21 VAL A 85 1.270 7.750 -2.557 1.00 12.35 H new ATOM 0 HG22 VAL A 85 2.933 8.019 -1.984 1.00 12.35 H new ATOM 0 HG23 VAL A 85 1.987 9.376 -2.639 1.00 12.35 H new ATOM 1311 N GLU A 86 5.905 8.285 -5.923 1.00 54.10 N ATOM 1312 CA GLU A 86 6.579 7.853 -7.161 1.00 24.02 C ATOM 1313 C GLU A 86 6.361 6.344 -7.381 1.00 40.34 C ATOM 1314 O GLU A 86 6.243 5.883 -8.526 1.00 2.40 O ATOM 1315 CB GLU A 86 8.101 8.186 -7.100 1.00 3.22 C ATOM 1316 CG GLU A 86 8.429 9.662 -6.772 1.00 33.53 C ATOM 1317 CD GLU A 86 7.780 10.673 -7.740 1.00 62.34 C ATOM 1318 OE1 GLU A 86 8.304 10.859 -8.860 1.00 14.22 O ATOM 1319 OE2 GLU A 86 6.744 11.281 -7.384 1.00 51.15 O ATOM 0 H GLU A 86 6.542 8.409 -5.136 1.00 54.10 H new ATOM 0 HA GLU A 86 6.147 8.394 -8.003 1.00 24.02 H new ATOM 0 HB2 GLU A 86 8.568 7.549 -6.349 1.00 3.22 H new ATOM 0 HB3 GLU A 86 8.553 7.932 -8.059 1.00 3.22 H new ATOM 0 HG2 GLU A 86 8.098 9.881 -5.757 1.00 33.53 H new ATOM 0 HG3 GLU A 86 9.510 9.797 -6.791 1.00 33.53 H new ATOM 1326 N GLY A 87 6.286 5.584 -6.269 1.00 65.52 N ATOM 1327 CA GLY A 87 6.108 4.132 -6.323 1.00 2.21 C ATOM 1328 C GLY A 87 5.737 3.530 -4.977 1.00 25.04 C ATOM 1329 O GLY A 87 5.598 4.252 -3.986 1.00 54.41 O ATOM 0 H GLY A 87 6.347 5.961 -5.323 1.00 65.52 H new ATOM 0 HA2 GLY A 87 5.330 3.893 -7.049 1.00 2.21 H new ATOM 0 HA3 GLY A 87 7.029 3.671 -6.680 1.00 2.21 H new ATOM 1333 N VAL A 88 5.549 2.195 -4.964 1.00 10.15 N ATOM 1334 CA VAL A 88 5.221 1.402 -3.754 1.00 61.21 C ATOM 1335 C VAL A 88 6.130 0.159 -3.727 1.00 71.45 C ATOM 1336 O VAL A 88 6.315 -0.493 -4.759 1.00 14.13 O ATOM 1337 CB VAL A 88 3.695 0.967 -3.736 1.00 54.30 C ATOM 1338 CG1 VAL A 88 3.396 -0.082 -2.633 1.00 21.30 C ATOM 1339 CG2 VAL A 88 2.770 2.200 -3.576 1.00 52.20 C ATOM 0 H VAL A 88 5.621 1.625 -5.807 1.00 10.15 H new ATOM 0 HA VAL A 88 5.390 2.016 -2.870 1.00 61.21 H new ATOM 0 HB VAL A 88 3.489 0.496 -4.697 1.00 54.30 H new ATOM 0 HG11 VAL A 88 2.339 -0.348 -2.661 1.00 21.30 H new ATOM 0 HG12 VAL A 88 3.999 -0.973 -2.805 1.00 21.30 H new ATOM 0 HG13 VAL A 88 3.639 0.337 -1.657 1.00 21.30 H new ATOM 0 HG21 VAL A 88 1.729 1.875 -3.567 1.00 52.20 H new ATOM 0 HG22 VAL A 88 3.000 2.708 -2.640 1.00 52.20 H new ATOM 0 HG23 VAL A 88 2.929 2.885 -4.409 1.00 52.20 H new ATOM 1349 N GLU A 89 6.693 -0.167 -2.548 1.00 23.42 N ATOM 1350 CA GLU A 89 7.614 -1.305 -2.383 1.00 25.24 C ATOM 1351 C GLU A 89 7.080 -2.282 -1.329 1.00 42.03 C ATOM 1352 O GLU A 89 6.309 -1.893 -0.448 1.00 45.21 O ATOM 1353 CB GLU A 89 9.027 -0.798 -1.971 1.00 32.24 C ATOM 1354 CG GLU A 89 10.136 -1.876 -1.981 1.00 23.12 C ATOM 1355 CD GLU A 89 10.310 -2.535 -3.366 1.00 45.23 C ATOM 1356 OE1 GLU A 89 11.025 -1.965 -4.221 1.00 11.42 O ATOM 1357 OE2 GLU A 89 9.712 -3.610 -3.619 1.00 54.24 O ATOM 0 H GLU A 89 6.522 0.350 -1.686 1.00 23.42 H new ATOM 0 HA GLU A 89 7.689 -1.828 -3.336 1.00 25.24 H new ATOM 0 HB2 GLU A 89 9.318 0.008 -2.645 1.00 32.24 H new ATOM 0 HB3 GLU A 89 8.966 -0.370 -0.970 1.00 32.24 H new ATOM 0 HG2 GLU A 89 11.080 -1.424 -1.677 1.00 23.12 H new ATOM 0 HG3 GLU A 89 9.898 -2.644 -1.245 1.00 23.12 H new ATOM 1364 N GLN A 90 7.488 -3.550 -1.457 1.00 43.32 N ATOM 1365 CA GLN A 90 7.317 -4.565 -0.419 1.00 55.23 C ATOM 1366 C GLN A 90 8.609 -4.627 0.415 1.00 24.02 C ATOM 1367 O GLN A 90 9.656 -5.059 -0.084 1.00 52.11 O ATOM 1368 CB GLN A 90 7.037 -5.950 -1.051 1.00 32.30 C ATOM 1369 CG GLN A 90 6.949 -7.124 -0.049 1.00 52.23 C ATOM 1370 CD GLN A 90 6.697 -8.477 -0.718 1.00 51.12 C ATOM 1371 OE1 GLN A 90 7.102 -8.714 -1.853 1.00 62.24 O ATOM 1372 NE2 GLN A 90 6.027 -9.377 -0.026 1.00 2.25 N ATOM 0 H GLN A 90 7.951 -3.901 -2.295 1.00 43.32 H new ATOM 0 HA GLN A 90 6.468 -4.302 0.212 1.00 55.23 H new ATOM 0 HB2 GLN A 90 6.100 -5.896 -1.606 1.00 32.30 H new ATOM 0 HB3 GLN A 90 7.824 -6.168 -1.773 1.00 32.30 H new ATOM 0 HG2 GLN A 90 7.877 -7.176 0.521 1.00 52.23 H new ATOM 0 HG3 GLN A 90 6.148 -6.925 0.663 1.00 52.23 H new ATOM 0 HE21 GLN A 90 5.701 -9.157 0.915 1.00 2.25 H new ATOM 0 HE22 GLN A 90 5.835 -10.293 -0.432 1.00 2.25 H new ATOM 1381 N VAL A 91 8.541 -4.131 1.652 1.00 62.42 N ATOM 1382 CA VAL A 91 9.599 -4.310 2.655 1.00 43.20 C ATOM 1383 C VAL A 91 9.150 -5.402 3.639 1.00 2.35 C ATOM 1384 O VAL A 91 8.188 -5.230 4.395 1.00 62.31 O ATOM 1385 CB VAL A 91 9.954 -2.960 3.401 1.00 53.34 C ATOM 1386 CG1 VAL A 91 10.825 -2.045 2.502 1.00 74.13 C ATOM 1387 CG2 VAL A 91 8.683 -2.207 3.855 1.00 13.14 C ATOM 0 H VAL A 91 7.746 -3.590 1.991 1.00 62.42 H new ATOM 0 HA VAL A 91 10.517 -4.618 2.155 1.00 43.20 H new ATOM 0 HB VAL A 91 10.524 -3.224 4.292 1.00 53.34 H new ATOM 0 HG11 VAL A 91 11.056 -1.123 3.036 1.00 74.13 H new ATOM 0 HG12 VAL A 91 11.752 -2.560 2.249 1.00 74.13 H new ATOM 0 HG13 VAL A 91 10.280 -1.808 1.588 1.00 74.13 H new ATOM 0 HG21 VAL A 91 8.968 -1.286 4.363 1.00 13.14 H new ATOM 0 HG22 VAL A 91 8.072 -1.968 2.985 1.00 13.14 H new ATOM 0 HG23 VAL A 91 8.112 -2.836 4.538 1.00 13.14 H new ATOM 1397 N MET A 92 9.833 -6.554 3.572 1.00 51.31 N ATOM 1398 CA MET A 92 9.511 -7.728 4.377 1.00 43.34 C ATOM 1399 C MET A 92 10.089 -7.578 5.783 1.00 14.11 C ATOM 1400 O MET A 92 11.235 -7.944 6.050 1.00 3.23 O ATOM 1401 CB MET A 92 10.018 -9.024 3.693 1.00 1.44 C ATOM 1402 CG MET A 92 9.362 -9.297 2.332 1.00 74.42 C ATOM 1403 SD MET A 92 7.576 -9.525 2.480 1.00 53.43 S ATOM 1404 CE MET A 92 7.467 -10.999 3.498 1.00 62.23 C ATOM 0 H MET A 92 10.630 -6.692 2.951 1.00 51.31 H new ATOM 0 HA MET A 92 8.427 -7.806 4.462 1.00 43.34 H new ATOM 0 HB2 MET A 92 11.098 -8.956 3.560 1.00 1.44 H new ATOM 0 HB3 MET A 92 9.831 -9.871 4.354 1.00 1.44 H new ATOM 0 HG2 MET A 92 9.567 -8.466 1.657 1.00 74.42 H new ATOM 0 HG3 MET A 92 9.806 -10.187 1.887 1.00 74.42 H new ATOM 0 HE1 MET A 92 6.465 -11.422 3.420 1.00 62.23 H new ATOM 0 HE2 MET A 92 8.198 -11.732 3.157 1.00 62.23 H new ATOM 0 HE3 MET A 92 7.671 -10.740 4.537 1.00 62.23 H new ATOM 1414 N ASP A 93 9.289 -6.953 6.651 1.00 50.01 N ATOM 1415 CA ASP A 93 9.553 -6.852 8.085 1.00 34.44 C ATOM 1416 C ASP A 93 9.072 -8.157 8.760 1.00 15.24 C ATOM 1417 O ASP A 93 8.083 -8.196 9.478 1.00 52.44 O ATOM 1418 CB ASP A 93 8.832 -5.572 8.625 1.00 40.24 C ATOM 1419 CG ASP A 93 8.777 -5.443 10.160 1.00 42.15 C ATOM 1420 OD1 ASP A 93 9.836 -5.258 10.795 1.00 44.34 O ATOM 1421 OD2 ASP A 93 7.664 -5.530 10.741 1.00 44.32 O ATOM 0 H ASP A 93 8.423 -6.494 6.369 1.00 50.01 H new ATOM 0 HA ASP A 93 10.615 -6.746 8.307 1.00 34.44 H new ATOM 0 HB2 ASP A 93 9.336 -4.694 8.221 1.00 40.24 H new ATOM 0 HB3 ASP A 93 7.813 -5.560 8.239 1.00 40.24 H new ATOM 1426 N ASP A 94 9.761 -9.256 8.453 1.00 52.42 N ATOM 1427 CA ASP A 94 9.405 -10.587 8.971 1.00 44.01 C ATOM 1428 C ASP A 94 10.216 -10.872 10.246 1.00 40.05 C ATOM 1429 O ASP A 94 11.448 -10.741 10.262 1.00 72.22 O ATOM 1430 CB ASP A 94 9.622 -11.676 7.881 1.00 40.24 C ATOM 1431 CG ASP A 94 11.088 -11.839 7.449 1.00 73.04 C ATOM 1432 OD1 ASP A 94 11.678 -10.871 6.932 1.00 44.43 O ATOM 1433 OD2 ASP A 94 11.657 -12.941 7.615 1.00 24.31 O ATOM 0 H ASP A 94 10.578 -9.255 7.842 1.00 52.42 H new ATOM 0 HA ASP A 94 8.347 -10.609 9.231 1.00 44.01 H new ATOM 0 HB2 ASP A 94 9.256 -12.631 8.257 1.00 40.24 H new ATOM 0 HB3 ASP A 94 9.021 -11.426 7.007 1.00 40.24 H new ATOM 1438 N GLU A 95 9.500 -11.221 11.324 1.00 12.43 N ATOM 1439 CA GLU A 95 10.106 -11.566 12.622 1.00 65.25 C ATOM 1440 C GLU A 95 10.830 -12.912 12.496 1.00 11.42 C ATOM 1441 O GLU A 95 11.901 -13.121 13.081 1.00 50.05 O ATOM 1442 CB GLU A 95 9.041 -11.634 13.767 1.00 71.50 C ATOM 1443 CG GLU A 95 8.152 -10.373 13.934 1.00 62.24 C ATOM 1444 CD GLU A 95 7.021 -10.270 12.896 1.00 74.32 C ATOM 1445 OE1 GLU A 95 6.083 -11.096 12.952 1.00 4.23 O ATOM 1446 OE2 GLU A 95 7.057 -9.386 12.016 1.00 61.04 O ATOM 0 H GLU A 95 8.481 -11.273 11.322 1.00 12.43 H new ATOM 0 HA GLU A 95 10.814 -10.781 12.887 1.00 65.25 H new ATOM 0 HB2 GLU A 95 8.393 -12.491 13.585 1.00 71.50 H new ATOM 0 HB3 GLU A 95 9.558 -11.819 14.709 1.00 71.50 H new ATOM 0 HG2 GLU A 95 7.717 -10.376 14.933 1.00 62.24 H new ATOM 0 HG3 GLU A 95 8.780 -9.485 13.863 1.00 62.24 H new ATOM 1453 N SER A 96 10.213 -13.819 11.718 1.00 63.23 N ATOM 1454 CA SER A 96 10.758 -15.145 11.396 1.00 1.41 C ATOM 1455 C SER A 96 10.417 -15.494 9.930 1.00 13.31 C ATOM 1456 O SER A 96 9.417 -15.000 9.390 1.00 52.14 O ATOM 1457 CB SER A 96 10.183 -16.211 12.363 1.00 51.41 C ATOM 1458 OG SER A 96 10.501 -15.905 13.711 1.00 44.45 O ATOM 0 H SER A 96 9.304 -13.645 11.288 1.00 63.23 H new ATOM 0 HA SER A 96 11.841 -15.132 11.515 1.00 1.41 H new ATOM 0 HB2 SER A 96 9.101 -16.267 12.245 1.00 51.41 H new ATOM 0 HB3 SER A 96 10.582 -17.192 12.106 1.00 51.41 H new ATOM 0 HG SER A 96 10.125 -16.592 14.300 1.00 44.45 H new ATOM 1464 N ASP A 97 11.254 -16.334 9.301 1.00 73.52 N ATOM 1465 CA ASP A 97 11.055 -16.820 7.914 1.00 2.11 C ATOM 1466 C ASP A 97 11.006 -18.364 7.900 1.00 74.23 C ATOM 1467 O ASP A 97 10.191 -18.940 7.146 1.00 71.25 O ATOM 1468 CB ASP A 97 12.159 -16.279 6.960 1.00 1.34 C ATOM 1469 CG ASP A 97 13.582 -16.742 7.308 1.00 3.11 C ATOM 1470 OD1 ASP A 97 14.162 -16.218 8.285 1.00 13.02 O ATOM 1471 OD2 ASP A 97 14.121 -17.642 6.620 1.00 33.15 O ATOM 1472 OXT ASP A 97 11.755 -19.000 8.671 1.00 37.35 O ATOM 0 H ASP A 97 12.098 -16.702 9.740 1.00 73.52 H new ATOM 0 HA ASP A 97 10.102 -16.440 7.546 1.00 2.11 H new ATOM 0 HB2 ASP A 97 11.927 -16.592 5.942 1.00 1.34 H new ATOM 0 HB3 ASP A 97 12.131 -15.189 6.973 1.00 1.34 H new TER 1477 ASP A 97