USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 803 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 92 TYR OH : rot 30:sc= 0.837 USER MOD Set 1.2: A 99 THR OG1 : rot -61:sc= 0.954 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Set 2.2: A 63 GLN :FLIP amide:sc= 0 X(o=-0.44,f=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.0579 (180deg=-0.314) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 9 TYR OH : rot -93:sc= 0.00629 USER MOD Single : A -1 GLY N :NH3+ -144:sc= 0.393 (180deg=-0.0155) USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.722 (180deg=0.439) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 67:sc= 1.28 USER MOD Single : A 15 ASN :FLIP amide:sc= -2.04 F(o=-3.2!,f=-2) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.555 F(o=-1.5,f=-0.56) USER MOD Single : A 20 CYS SG : rot 58:sc= -0.815! USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -133:sc= -1.06! USER MOD Single : A 35 THR OG1 : rot 132:sc= 1.35 USER MOD Single : A 39 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.6) USER MOD Single : A 45 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A 46 CYS SG : rot 67:sc= -3.98! USER MOD Single : A 47 THR OG1 : rot -42:sc= 0.196 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 1.49 K(o=1.5,f=-2.6) USER MOD Single : A 54 THR OG1 : rot 102:sc= 0.655 USER MOD Single : A 57 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0.05) USER MOD Single : A 61 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -67:sc= 0.0263 USER MOD Single : A 90 SER OG : rot 72:sc= 1.24 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 94 SER OG : rot 76:sc= 1.19 USER MOD Single : A 95 TYR OH : rot 154:sc= 0.401 USER MOD Single : A 96 GLN : amide:sc= -0.373 K(o=-0.37,f=-0.93) USER MOD Single : A 100 SER OG : rot 70:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -10.333 -8.343 4.504 1.00 0.00 N ATOM 2 CA GLY A -1 -10.569 -8.708 3.111 1.00 0.00 C ATOM 3 C GLY A -1 -11.051 -10.122 3.003 1.00 0.00 C ATOM 4 O GLY A -1 -10.253 -11.056 2.851 1.00 0.00 O ATOM 0 H1 GLY A -1 -10.598 -7.348 4.652 1.00 0.00 H new ATOM 0 H2 GLY A -1 -10.907 -8.950 5.124 1.00 0.00 H new ATOM 0 H3 GLY A -1 -9.326 -8.471 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -11.306 -8.034 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.649 -8.588 2.539 1.00 0.00 H new ATOM 10 N SER A 0 -12.345 -10.302 3.105 1.00 0.00 N ATOM 11 CA SER A 0 -12.938 -11.611 3.066 1.00 0.00 C ATOM 12 C SER A 0 -13.249 -12.009 1.626 1.00 0.00 C ATOM 13 O SER A 0 -13.315 -13.188 1.289 1.00 0.00 O ATOM 14 CB SER A 0 -14.175 -11.618 3.950 1.00 0.00 C ATOM 15 OG SER A 0 -13.829 -11.160 5.256 1.00 0.00 O ATOM 0 H SER A 0 -13.016 -9.542 3.218 1.00 0.00 H new ATOM 0 HA SER A 0 -12.241 -12.355 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 0 -14.945 -10.978 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 0 -14.591 -12.624 4.004 1.00 0.00 H new ATOM 0 HG SER A 0 -14.626 -11.163 5.826 1.00 0.00 H new ATOM 21 N MET A 1 -13.388 -11.016 0.795 1.00 0.00 N ATOM 22 CA MET A 1 -13.627 -11.146 -0.618 1.00 0.00 C ATOM 23 C MET A 1 -13.022 -9.932 -1.280 1.00 0.00 C ATOM 24 O MET A 1 -13.705 -8.924 -1.472 1.00 0.00 O ATOM 25 CB MET A 1 -15.104 -11.204 -0.991 1.00 0.00 C ATOM 26 CG MET A 1 -15.875 -12.377 -0.427 1.00 0.00 C ATOM 27 SD MET A 1 -17.536 -12.538 -1.135 1.00 0.00 S ATOM 28 CE MET A 1 -18.257 -10.949 -0.717 1.00 0.00 C ATOM 0 H MET A 1 -13.335 -10.043 1.098 1.00 0.00 H new ATOM 0 HA MET A 1 -13.185 -12.087 -0.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.581 -10.283 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.185 -11.228 -2.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.317 -13.295 -0.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.956 -12.266 0.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.313 -11.079 -0.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.741 -10.531 0.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.156 -10.270 -1.563 1.00 0.00 H new ATOM 38 N PRO A 2 -11.714 -9.974 -1.522 1.00 0.00 N ATOM 39 CA PRO A 2 -10.964 -8.861 -2.085 1.00 0.00 C ATOM 40 C PRO A 2 -11.536 -8.338 -3.396 1.00 0.00 C ATOM 41 O PRO A 2 -11.452 -8.979 -4.452 1.00 0.00 O ATOM 42 CB PRO A 2 -9.540 -9.407 -2.261 1.00 0.00 C ATOM 43 CG PRO A 2 -9.672 -10.884 -2.124 1.00 0.00 C ATOM 44 CD PRO A 2 -10.856 -11.111 -1.235 1.00 0.00 C ATOM 0 HA PRO A 2 -11.005 -7.993 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.131 -9.136 -3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.866 -9.000 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.818 -11.355 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.770 -11.318 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.352 -12.055 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.569 -11.143 -0.184 1.00 0.00 H new ATOM 52 N PHE A 3 -12.151 -7.202 -3.292 1.00 0.00 N ATOM 53 CA PHE A 3 -12.732 -6.510 -4.398 1.00 0.00 C ATOM 54 C PHE A 3 -12.512 -5.046 -4.205 1.00 0.00 C ATOM 55 O PHE A 3 -11.877 -4.405 -5.013 1.00 0.00 O ATOM 56 CB PHE A 3 -14.233 -6.800 -4.533 1.00 0.00 C ATOM 57 CG PHE A 3 -14.892 -5.981 -5.622 1.00 0.00 C ATOM 58 CD1 PHE A 3 -14.680 -6.279 -6.954 1.00 0.00 C ATOM 59 CD2 PHE A 3 -15.701 -4.899 -5.304 1.00 0.00 C ATOM 60 CE1 PHE A 3 -15.257 -5.520 -7.950 1.00 0.00 C ATOM 61 CE2 PHE A 3 -16.284 -4.138 -6.295 1.00 0.00 C ATOM 62 CZ PHE A 3 -16.060 -4.447 -7.621 1.00 0.00 C ATOM 0 H PHE A 3 -12.266 -6.714 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 3 -12.255 -6.855 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.376 -7.860 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.725 -6.595 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.054 -7.118 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.876 -4.650 -4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -15.081 -5.765 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -16.915 -3.301 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 3 -16.512 -3.850 -8.400 1.00 0.00 H new ATOM 72 N ALA A 4 -12.997 -4.531 -3.096 1.00 0.00 N ATOM 73 CA ALA A 4 -12.860 -3.127 -2.779 1.00 0.00 C ATOM 74 C ALA A 4 -11.393 -2.814 -2.500 1.00 0.00 C ATOM 75 O ALA A 4 -10.877 -1.753 -2.858 1.00 0.00 O ATOM 76 CB ALA A 4 -13.751 -2.777 -1.593 1.00 0.00 C ATOM 0 H ALA A 4 -13.496 -5.073 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.181 -2.517 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.644 -1.718 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.790 -2.990 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.456 -3.372 -0.729 1.00 0.00 H new ATOM 82 N GLU A 5 -10.723 -3.789 -1.934 1.00 0.00 N ATOM 83 CA GLU A 5 -9.320 -3.736 -1.621 1.00 0.00 C ATOM 84 C GLU A 5 -8.515 -3.788 -2.925 1.00 0.00 C ATOM 85 O GLU A 5 -7.474 -3.144 -3.069 1.00 0.00 O ATOM 86 CB GLU A 5 -8.926 -4.929 -0.712 1.00 0.00 C ATOM 87 CG GLU A 5 -9.840 -5.151 0.515 1.00 0.00 C ATOM 88 CD GLU A 5 -11.098 -6.010 0.234 1.00 0.00 C ATOM 89 OE1 GLU A 5 -11.663 -5.962 -0.888 1.00 0.00 O ATOM 90 OE2 GLU A 5 -11.523 -6.737 1.132 1.00 0.00 O ATOM 0 H GLU A 5 -11.159 -4.673 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.103 -2.809 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.924 -5.838 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.905 -4.777 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.258 -5.629 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.157 -4.180 0.896 1.00 0.00 H new ATOM 97 N ASP A 6 -9.040 -4.530 -3.880 1.00 0.00 N ATOM 98 CA ASP A 6 -8.430 -4.674 -5.203 1.00 0.00 C ATOM 99 C ASP A 6 -8.644 -3.396 -6.002 1.00 0.00 C ATOM 100 O ASP A 6 -7.743 -2.910 -6.702 1.00 0.00 O ATOM 101 CB ASP A 6 -9.035 -5.875 -5.934 1.00 0.00 C ATOM 102 CG ASP A 6 -8.511 -6.029 -7.336 1.00 0.00 C ATOM 103 OD1 ASP A 6 -7.391 -6.518 -7.514 1.00 0.00 O ATOM 104 OD2 ASP A 6 -9.218 -5.661 -8.296 1.00 0.00 O ATOM 0 H ASP A 6 -9.907 -5.056 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.359 -4.846 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.822 -6.783 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.119 -5.767 -5.966 1.00 0.00 H new ATOM 109 N LYS A 7 -9.839 -2.839 -5.856 1.00 0.00 N ATOM 110 CA LYS A 7 -10.196 -1.560 -6.446 1.00 0.00 C ATOM 111 C LYS A 7 -9.276 -0.467 -5.917 1.00 0.00 C ATOM 112 O LYS A 7 -8.886 0.437 -6.657 1.00 0.00 O ATOM 113 CB LYS A 7 -11.666 -1.208 -6.143 1.00 0.00 C ATOM 114 CG LYS A 7 -12.709 -2.074 -6.862 1.00 0.00 C ATOM 115 CD LYS A 7 -12.766 -1.790 -8.363 1.00 0.00 C ATOM 116 CE LYS A 7 -13.334 -0.401 -8.649 1.00 0.00 C ATOM 117 NZ LYS A 7 -13.250 -0.036 -10.070 1.00 0.00 N ATOM 0 H LYS A 7 -10.593 -3.268 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.078 -1.635 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.828 -1.290 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.836 -0.165 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.476 -3.127 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.691 -1.895 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.765 -1.869 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.381 -2.544 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.376 -0.366 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.794 0.337 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.649 0.915 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.255 -0.041 -10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.787 -0.723 -10.637 1.00 0.00 H new ATOM 131 N THR A 8 -8.921 -0.577 -4.642 1.00 0.00 N ATOM 132 CA THR A 8 -8.008 0.350 -4.010 1.00 0.00 C ATOM 133 C THR A 8 -6.631 0.289 -4.701 1.00 0.00 C ATOM 134 O THR A 8 -6.073 1.322 -5.082 1.00 0.00 O ATOM 135 CB THR A 8 -7.871 0.053 -2.489 1.00 0.00 C ATOM 136 OG1 THR A 8 -9.170 0.091 -1.866 1.00 0.00 O ATOM 137 CG2 THR A 8 -6.971 1.078 -1.804 1.00 0.00 C ATOM 0 H THR A 8 -9.261 -1.313 -4.023 1.00 0.00 H new ATOM 0 HA THR A 8 -8.412 1.357 -4.117 1.00 0.00 H new ATOM 0 HB THR A 8 -7.426 -0.936 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.729 -0.626 -2.231 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.895 0.844 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.979 1.049 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.396 2.074 -1.926 1.00 0.00 H new ATOM 145 N TYR A 9 -6.127 -0.935 -4.911 1.00 0.00 N ATOM 146 CA TYR A 9 -4.846 -1.158 -5.597 1.00 0.00 C ATOM 147 C TYR A 9 -4.849 -0.490 -6.964 1.00 0.00 C ATOM 148 O TYR A 9 -3.966 0.315 -7.273 1.00 0.00 O ATOM 149 CB TYR A 9 -4.551 -2.678 -5.735 1.00 0.00 C ATOM 150 CG TYR A 9 -3.346 -3.026 -6.616 1.00 0.00 C ATOM 151 CD1 TYR A 9 -2.044 -2.947 -6.133 1.00 0.00 C ATOM 152 CD2 TYR A 9 -3.525 -3.424 -7.939 1.00 0.00 C ATOM 153 CE1 TYR A 9 -0.958 -3.258 -6.946 1.00 0.00 C ATOM 154 CE2 TYR A 9 -2.448 -3.732 -8.750 1.00 0.00 C ATOM 155 CZ TYR A 9 -1.169 -3.649 -8.253 1.00 0.00 C ATOM 156 OH TYR A 9 -0.093 -3.952 -9.072 1.00 0.00 O ATOM 0 H TYR A 9 -6.591 -1.793 -4.613 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.055 -0.710 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.387 -3.093 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.434 -3.169 -6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.873 -2.640 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.526 -3.493 -8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.047 -3.194 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.612 -4.037 -9.773 1.00 0.00 H new ATOM 0 HH TYR A 9 0.176 -3.151 -9.568 1.00 0.00 H new ATOM 166 N LYS A 10 -5.864 -0.802 -7.754 1.00 0.00 N ATOM 167 CA LYS A 10 -6.010 -0.267 -9.105 1.00 0.00 C ATOM 168 C LYS A 10 -6.129 1.252 -9.111 1.00 0.00 C ATOM 169 O LYS A 10 -5.612 1.916 -10.009 1.00 0.00 O ATOM 170 CB LYS A 10 -7.222 -0.888 -9.796 1.00 0.00 C ATOM 171 CG LYS A 10 -7.049 -2.346 -10.171 1.00 0.00 C ATOM 172 CD LYS A 10 -8.329 -2.918 -10.759 1.00 0.00 C ATOM 173 CE LYS A 10 -8.123 -4.320 -11.329 1.00 0.00 C ATOM 174 NZ LYS A 10 -7.566 -5.260 -10.338 1.00 0.00 N ATOM 0 H LYS A 10 -6.614 -1.436 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.106 -0.529 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.087 -0.794 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.443 -0.317 -10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.238 -2.445 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.763 -2.919 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.099 -2.950 -9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.693 -2.257 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.076 -4.704 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.454 -4.264 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.399 -6.182 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.668 -4.886 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.239 -5.376 -9.553 1.00 0.00 H new ATOM 188 N TYR A 11 -6.775 1.791 -8.098 1.00 0.00 N ATOM 189 CA TYR A 11 -7.008 3.221 -7.996 1.00 0.00 C ATOM 190 C TYR A 11 -5.692 3.939 -7.737 1.00 0.00 C ATOM 191 O TYR A 11 -5.334 4.881 -8.431 1.00 0.00 O ATOM 192 CB TYR A 11 -7.949 3.501 -6.836 1.00 0.00 C ATOM 193 CG TYR A 11 -8.754 4.770 -6.972 1.00 0.00 C ATOM 194 CD1 TYR A 11 -8.254 6.000 -6.565 1.00 0.00 C ATOM 195 CD2 TYR A 11 -10.030 4.727 -7.495 1.00 0.00 C ATOM 196 CE1 TYR A 11 -9.013 7.148 -6.684 1.00 0.00 C ATOM 197 CE2 TYR A 11 -10.792 5.861 -7.611 1.00 0.00 C ATOM 198 CZ TYR A 11 -10.285 7.067 -7.207 1.00 0.00 C ATOM 199 OH TYR A 11 -11.060 8.199 -7.317 1.00 0.00 O ATOM 0 H TYR A 11 -7.155 1.251 -7.320 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.447 3.576 -8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.635 2.661 -6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.366 3.553 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.259 6.060 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.437 3.781 -7.820 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.613 8.101 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.790 5.803 -8.020 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.928 7.965 -7.707 1.00 0.00 H new ATOM 209 N ILE A 12 -4.964 3.452 -6.753 1.00 0.00 N ATOM 210 CA ILE A 12 -3.699 4.051 -6.323 1.00 0.00 C ATOM 211 C ILE A 12 -2.642 3.978 -7.429 1.00 0.00 C ATOM 212 O ILE A 12 -1.749 4.801 -7.488 1.00 0.00 O ATOM 213 CB ILE A 12 -3.202 3.398 -4.993 1.00 0.00 C ATOM 214 CG1 ILE A 12 -4.265 3.566 -3.882 1.00 0.00 C ATOM 215 CG2 ILE A 12 -1.863 3.975 -4.536 1.00 0.00 C ATOM 216 CD1 ILE A 12 -4.555 5.006 -3.491 1.00 0.00 C ATOM 0 H ILE A 12 -5.228 2.624 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.873 5.108 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.051 2.336 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.193 3.100 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.934 3.023 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.556 3.492 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.110 3.798 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.967 5.047 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.312 5.025 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.641 5.475 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.920 5.553 -4.360 1.00 0.00 H new ATOM 228 N CYS A 13 -2.799 3.038 -8.345 1.00 0.00 N ATOM 229 CA CYS A 13 -1.884 2.914 -9.475 1.00 0.00 C ATOM 230 C CYS A 13 -1.856 4.183 -10.341 1.00 0.00 C ATOM 231 O CYS A 13 -0.839 4.498 -10.948 1.00 0.00 O ATOM 232 CB CYS A 13 -2.250 1.721 -10.343 1.00 0.00 C ATOM 233 SG CYS A 13 -2.107 0.118 -9.527 1.00 0.00 S ATOM 0 H CYS A 13 -3.550 2.348 -8.332 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.890 2.767 -9.053 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.275 1.845 -10.692 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.610 1.722 -11.225 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.000 0.029 -8.586 1.00 0.00 H new ATOM 239 N ARG A 14 -2.953 4.936 -10.365 1.00 0.00 N ATOM 240 CA ARG A 14 -3.019 6.116 -11.196 1.00 0.00 C ATOM 241 C ARG A 14 -2.492 7.352 -10.463 1.00 0.00 C ATOM 242 O ARG A 14 -2.437 8.445 -11.024 1.00 0.00 O ATOM 243 CB ARG A 14 -4.436 6.341 -11.702 1.00 0.00 C ATOM 244 CG ARG A 14 -5.428 6.895 -10.692 1.00 0.00 C ATOM 245 CD ARG A 14 -6.819 6.950 -11.287 1.00 0.00 C ATOM 246 NE ARG A 14 -6.850 7.704 -12.545 1.00 0.00 N ATOM 247 CZ ARG A 14 -7.596 7.387 -13.609 1.00 0.00 C ATOM 248 NH1 ARG A 14 -8.440 6.357 -13.561 1.00 0.00 N ATOM 249 NH2 ARG A 14 -7.512 8.119 -14.710 1.00 0.00 N ATOM 0 H ARG A 14 -3.795 4.746 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.372 5.950 -12.058 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.393 7.024 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.821 5.392 -12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.433 6.270 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.120 7.893 -10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.178 5.936 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.501 7.410 -10.572 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.258 8.532 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.521 5.803 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.005 6.122 -14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.881 8.920 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.078 7.882 -15.524 1.00 0.00 H new ATOM 263 N ASN A 15 -2.118 7.172 -9.219 1.00 0.00 N ATOM 264 CA ASN A 15 -1.562 8.251 -8.415 1.00 0.00 C ATOM 265 C ASN A 15 -0.322 7.745 -7.703 1.00 0.00 C ATOM 266 O ASN A 15 0.177 8.336 -6.746 1.00 0.00 O ATOM 267 CB ASN A 15 -2.601 8.815 -7.431 1.00 0.00 C ATOM 268 CG ASN A 15 -3.120 7.820 -6.438 1.00 0.00 C ATOM 269 OD1 ASN A 15 -4.210 7.206 -6.766 1.00 0.00 O flip ATOM 270 ND2 ASN A 15 -2.575 7.644 -5.376 1.00 0.00 N flip ATOM 0 H ASN A 15 -2.187 6.279 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.282 9.079 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.155 9.650 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.441 9.215 -7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.716 8.147 -5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.973 6.992 -4.700 1.00 0.00 H new ATOM 277 N PHE A 16 0.193 6.665 -8.252 1.00 0.00 N ATOM 278 CA PHE A 16 1.401 5.975 -7.794 1.00 0.00 C ATOM 279 C PHE A 16 2.597 6.928 -7.733 1.00 0.00 C ATOM 280 O PHE A 16 3.448 6.827 -6.838 1.00 0.00 O ATOM 281 CB PHE A 16 1.687 4.793 -8.744 1.00 0.00 C ATOM 282 CG PHE A 16 2.988 4.077 -8.508 1.00 0.00 C ATOM 283 CD1 PHE A 16 3.149 3.229 -7.430 1.00 0.00 C ATOM 284 CD2 PHE A 16 4.053 4.258 -9.379 1.00 0.00 C ATOM 285 CE1 PHE A 16 4.344 2.576 -7.225 1.00 0.00 C ATOM 286 CE2 PHE A 16 5.247 3.608 -9.175 1.00 0.00 C ATOM 287 CZ PHE A 16 5.393 2.769 -8.099 1.00 0.00 C ATOM 0 H PHE A 16 -0.230 6.217 -9.065 1.00 0.00 H new ATOM 0 HA PHE A 16 1.239 5.602 -6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.874 4.073 -8.655 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.676 5.162 -9.770 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.331 3.077 -6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.943 4.917 -10.227 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.460 1.913 -6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.068 3.757 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.331 2.259 -7.936 1.00 0.00 H new ATOM 297 N SER A 17 2.640 7.853 -8.662 1.00 0.00 N ATOM 298 CA SER A 17 3.686 8.847 -8.731 1.00 0.00 C ATOM 299 C SER A 17 3.659 9.756 -7.494 1.00 0.00 C ATOM 300 O SER A 17 4.704 10.114 -6.948 1.00 0.00 O ATOM 301 CB SER A 17 3.528 9.639 -10.022 1.00 0.00 C ATOM 302 OG SER A 17 2.175 10.054 -10.181 1.00 0.00 O ATOM 0 H SER A 17 1.942 7.938 -9.400 1.00 0.00 H new ATOM 0 HA SER A 17 4.660 8.358 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.184 10.510 -10.006 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.831 9.027 -10.872 1.00 0.00 H new ATOM 0 HG SER A 17 2.085 10.564 -11.013 1.00 0.00 H new ATOM 308 N ASN A 18 2.455 10.048 -7.010 1.00 0.00 N ATOM 309 CA ASN A 18 2.261 10.894 -5.824 1.00 0.00 C ATOM 310 C ASN A 18 2.766 10.158 -4.602 1.00 0.00 C ATOM 311 O ASN A 18 3.316 10.751 -3.672 1.00 0.00 O ATOM 312 CB ASN A 18 0.770 11.252 -5.616 1.00 0.00 C ATOM 313 CG ASN A 18 0.132 11.972 -6.787 1.00 0.00 C ATOM 314 OD1 ASN A 18 -1.166 11.847 -6.912 1.00 0.00 O flip ATOM 315 ND2 ASN A 18 0.794 12.660 -7.560 1.00 0.00 N flip ATOM 0 H ASN A 18 1.586 9.709 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 18 2.816 11.820 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.212 10.336 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.679 11.877 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.804 12.738 -7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.334 13.153 -8.325 1.00 0.00 H new ATOM 322 N PHE A 19 2.612 8.851 -4.626 1.00 0.00 N ATOM 323 CA PHE A 19 3.062 8.007 -3.544 1.00 0.00 C ATOM 324 C PHE A 19 4.558 7.759 -3.568 1.00 0.00 C ATOM 325 O PHE A 19 5.105 7.275 -2.610 1.00 0.00 O ATOM 326 CB PHE A 19 2.281 6.693 -3.470 1.00 0.00 C ATOM 327 CG PHE A 19 0.973 6.819 -2.754 1.00 0.00 C ATOM 328 CD1 PHE A 19 -0.102 7.459 -3.335 1.00 0.00 C ATOM 329 CD2 PHE A 19 0.833 6.312 -1.475 1.00 0.00 C ATOM 330 CE1 PHE A 19 -1.294 7.585 -2.653 1.00 0.00 C ATOM 331 CE2 PHE A 19 -0.355 6.439 -0.793 1.00 0.00 C ATOM 332 CZ PHE A 19 -1.419 7.076 -1.385 1.00 0.00 C ATOM 0 H PHE A 19 2.172 8.346 -5.395 1.00 0.00 H new ATOM 0 HA PHE A 19 2.853 8.565 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.100 6.329 -4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.892 5.944 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.009 7.865 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.666 5.810 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.131 8.085 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.451 6.039 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.353 7.176 -0.852 1.00 0.00 H new ATOM 342 N CYS A 20 5.238 8.149 -4.633 1.00 0.00 N ATOM 343 CA CYS A 20 6.681 7.962 -4.713 1.00 0.00 C ATOM 344 C CYS A 20 7.421 8.945 -3.789 1.00 0.00 C ATOM 345 O CYS A 20 8.650 8.908 -3.657 1.00 0.00 O ATOM 346 CB CYS A 20 7.151 8.090 -6.156 1.00 0.00 C ATOM 347 SG CYS A 20 6.426 6.858 -7.267 1.00 0.00 S ATOM 0 H CYS A 20 4.820 8.594 -5.450 1.00 0.00 H new ATOM 0 HA CYS A 20 6.918 6.956 -4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.905 9.087 -6.522 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.237 7.999 -6.185 1.00 0.00 H new ATOM 0 HG CYS A 20 5.130 6.957 -7.238 1.00 0.00 H new ATOM 353 N ASN A 21 6.658 9.816 -3.153 1.00 0.00 N ATOM 354 CA ASN A 21 7.179 10.766 -2.188 1.00 0.00 C ATOM 355 C ASN A 21 7.343 10.076 -0.832 1.00 0.00 C ATOM 356 O ASN A 21 8.128 10.516 0.022 1.00 0.00 O ATOM 357 CB ASN A 21 6.207 11.954 -2.058 1.00 0.00 C ATOM 358 CG ASN A 21 6.704 13.061 -1.137 1.00 0.00 C ATOM 359 OD1 ASN A 21 6.451 13.056 0.071 1.00 0.00 O ATOM 360 ND2 ASN A 21 7.383 14.022 -1.694 1.00 0.00 N ATOM 0 H ASN A 21 5.650 9.884 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 21 8.149 11.133 -2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.026 12.373 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.250 11.588 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.723 14.800 -1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.575 13.997 -2.695 1.00 0.00 H new ATOM 367 N VAL A 22 6.638 8.962 -0.655 1.00 0.00 N ATOM 368 CA VAL A 22 6.650 8.248 0.607 1.00 0.00 C ATOM 369 C VAL A 22 7.950 7.449 0.733 1.00 0.00 C ATOM 370 O VAL A 22 8.601 7.130 -0.275 1.00 0.00 O ATOM 371 CB VAL A 22 5.431 7.254 0.744 1.00 0.00 C ATOM 372 CG1 VAL A 22 5.661 5.941 0.042 1.00 0.00 C ATOM 373 CG2 VAL A 22 5.030 7.044 2.188 1.00 0.00 C ATOM 0 H VAL A 22 6.052 8.538 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 22 6.572 8.993 1.399 1.00 0.00 H new ATOM 0 HB VAL A 22 4.596 7.736 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.788 5.301 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.824 6.120 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.537 5.450 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.188 6.353 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.871 6.629 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.741 7.999 2.628 1.00 0.00 H new ATOM 383 N ASP A 23 8.328 7.148 1.938 1.00 0.00 N ATOM 384 CA ASP A 23 9.457 6.300 2.158 1.00 0.00 C ATOM 385 C ASP A 23 8.901 4.912 2.361 1.00 0.00 C ATOM 386 O ASP A 23 8.039 4.706 3.214 1.00 0.00 O ATOM 387 CB ASP A 23 10.266 6.712 3.374 1.00 0.00 C ATOM 388 CG ASP A 23 11.623 6.060 3.347 1.00 0.00 C ATOM 389 OD1 ASP A 23 11.693 4.826 3.324 1.00 0.00 O ATOM 390 OD2 ASP A 23 12.646 6.783 3.301 1.00 0.00 O ATOM 0 H ASP A 23 7.868 7.479 2.786 1.00 0.00 H new ATOM 0 HA ASP A 23 10.137 6.360 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.377 7.796 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.737 6.428 4.284 1.00 0.00 H new ATOM 395 N VAL A 24 9.389 3.981 1.610 1.00 0.00 N ATOM 396 CA VAL A 24 8.810 2.655 1.552 1.00 0.00 C ATOM 397 C VAL A 24 9.197 1.792 2.773 1.00 0.00 C ATOM 398 O VAL A 24 8.404 0.976 3.244 1.00 0.00 O ATOM 399 CB VAL A 24 9.195 1.972 0.207 1.00 0.00 C ATOM 400 CG1 VAL A 24 8.500 0.647 0.027 1.00 0.00 C ATOM 401 CG2 VAL A 24 8.797 2.865 -0.938 1.00 0.00 C ATOM 0 H VAL A 24 10.205 4.107 1.011 1.00 0.00 H new ATOM 0 HA VAL A 24 7.725 2.754 1.592 1.00 0.00 H new ATOM 0 HB VAL A 24 10.272 1.803 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.798 0.206 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.778 -0.023 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.421 0.798 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.066 2.389 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.721 3.034 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.316 3.819 -0.853 1.00 0.00 H new ATOM 411 N VAL A 25 10.369 2.033 3.339 1.00 0.00 N ATOM 412 CA VAL A 25 10.827 1.213 4.473 1.00 0.00 C ATOM 413 C VAL A 25 10.161 1.635 5.770 1.00 0.00 C ATOM 414 O VAL A 25 9.988 0.841 6.690 1.00 0.00 O ATOM 415 CB VAL A 25 12.357 1.224 4.661 1.00 0.00 C ATOM 416 CG1 VAL A 25 13.047 0.633 3.461 1.00 0.00 C ATOM 417 CG2 VAL A 25 12.880 2.614 4.941 1.00 0.00 C ATOM 0 H VAL A 25 11.014 2.768 3.049 1.00 0.00 H new ATOM 0 HA VAL A 25 10.533 0.194 4.223 1.00 0.00 H new ATOM 0 HB VAL A 25 12.580 0.607 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.126 0.651 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.718 -0.397 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.798 1.216 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.962 2.577 5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.634 3.270 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.422 2.999 5.852 1.00 0.00 H new ATOM 427 N GLU A 26 9.771 2.878 5.806 1.00 0.00 N ATOM 428 CA GLU A 26 9.129 3.502 6.927 1.00 0.00 C ATOM 429 C GLU A 26 7.651 3.053 7.057 1.00 0.00 C ATOM 430 O GLU A 26 6.974 3.366 8.037 1.00 0.00 O ATOM 431 CB GLU A 26 9.223 4.998 6.698 1.00 0.00 C ATOM 432 CG GLU A 26 10.652 5.548 6.686 1.00 0.00 C ATOM 433 CD GLU A 26 11.364 5.455 8.018 1.00 0.00 C ATOM 434 OE1 GLU A 26 11.245 6.402 8.824 1.00 0.00 O ATOM 435 OE2 GLU A 26 12.068 4.458 8.286 1.00 0.00 O ATOM 0 H GLU A 26 9.898 3.513 5.018 1.00 0.00 H new ATOM 0 HA GLU A 26 9.616 3.214 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.746 5.238 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.657 5.509 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.231 5.006 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.625 6.592 6.373 1.00 0.00 H new ATOM 442 N ILE A 27 7.187 2.345 6.052 1.00 0.00 N ATOM 443 CA ILE A 27 5.826 1.790 5.967 1.00 0.00 C ATOM 444 C ILE A 27 5.805 0.358 6.492 1.00 0.00 C ATOM 445 O ILE A 27 4.892 -0.032 7.191 1.00 0.00 O ATOM 446 CB ILE A 27 5.380 1.808 4.465 1.00 0.00 C ATOM 447 CG1 ILE A 27 5.168 3.243 3.974 1.00 0.00 C ATOM 448 CG2 ILE A 27 4.170 0.920 4.168 1.00 0.00 C ATOM 449 CD1 ILE A 27 4.808 3.337 2.510 1.00 0.00 C ATOM 0 H ILE A 27 7.756 2.124 5.235 1.00 0.00 H new ATOM 0 HA ILE A 27 5.145 2.388 6.572 1.00 0.00 H new ATOM 0 HB ILE A 27 6.201 1.368 3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.377 3.706 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.077 3.817 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.922 0.986 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.406 -0.113 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.319 1.254 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.673 4.383 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.608 2.904 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.882 2.792 2.327 1.00 0.00 H new ATOM 461 N LEU A 28 6.857 -0.370 6.203 1.00 0.00 N ATOM 462 CA LEU A 28 6.974 -1.810 6.507 1.00 0.00 C ATOM 463 C LEU A 28 6.576 -2.213 7.971 1.00 0.00 C ATOM 464 O LEU A 28 5.768 -3.127 8.146 1.00 0.00 O ATOM 465 CB LEU A 28 8.385 -2.300 6.163 1.00 0.00 C ATOM 466 CG LEU A 28 8.855 -2.023 4.729 1.00 0.00 C ATOM 467 CD1 LEU A 28 10.273 -2.495 4.530 1.00 0.00 C ATOM 468 CD2 LEU A 28 7.934 -2.675 3.710 1.00 0.00 C ATOM 0 H LEU A 28 7.682 0.012 5.741 1.00 0.00 H new ATOM 0 HA LEU A 28 6.238 -2.310 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.089 -1.835 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.429 -3.375 6.339 1.00 0.00 H new ATOM 0 HG LEU A 28 8.822 -0.945 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.585 -2.288 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.931 -1.971 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.329 -3.567 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.294 -2.460 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.922 -3.753 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.925 -2.280 3.826 1.00 0.00 H new ATOM 480 N PRO A 29 7.099 -1.544 9.052 1.00 0.00 N ATOM 481 CA PRO A 29 6.734 -1.905 10.445 1.00 0.00 C ATOM 482 C PRO A 29 5.284 -1.526 10.802 1.00 0.00 C ATOM 483 O PRO A 29 4.771 -1.893 11.860 1.00 0.00 O ATOM 484 CB PRO A 29 7.716 -1.085 11.288 1.00 0.00 C ATOM 485 CG PRO A 29 8.036 0.093 10.436 1.00 0.00 C ATOM 486 CD PRO A 29 8.086 -0.432 9.033 1.00 0.00 C ATOM 0 HA PRO A 29 6.791 -2.981 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.270 -0.782 12.235 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.612 -1.659 11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.278 0.869 10.538 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.989 0.538 10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.816 0.334 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.084 -0.783 8.770 1.00 0.00 H new ATOM 494 N TYR A 30 4.639 -0.818 9.910 1.00 0.00 N ATOM 495 CA TYR A 30 3.289 -0.346 10.103 1.00 0.00 C ATOM 496 C TYR A 30 2.259 -1.315 9.559 1.00 0.00 C ATOM 497 O TYR A 30 1.061 -1.160 9.785 1.00 0.00 O ATOM 498 CB TYR A 30 3.148 1.064 9.519 1.00 0.00 C ATOM 499 CG TYR A 30 3.587 2.113 10.488 1.00 0.00 C ATOM 500 CD1 TYR A 30 2.752 2.515 11.521 1.00 0.00 C ATOM 501 CD2 TYR A 30 4.841 2.676 10.403 1.00 0.00 C ATOM 502 CE1 TYR A 30 3.162 3.449 12.442 1.00 0.00 C ATOM 503 CE2 TYR A 30 5.255 3.612 11.313 1.00 0.00 C ATOM 504 CZ TYR A 30 4.417 3.993 12.334 1.00 0.00 C ATOM 505 OH TYR A 30 4.845 4.922 13.260 1.00 0.00 O ATOM 0 H TYR A 30 5.043 -0.548 9.013 1.00 0.00 H new ATOM 0 HA TYR A 30 3.089 -0.289 11.173 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.741 1.141 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.109 1.239 9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.764 2.087 11.602 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.507 2.375 9.608 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.503 3.752 13.242 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.238 4.050 11.229 1.00 0.00 H new ATOM 0 HH TYR A 30 5.757 5.207 13.040 1.00 0.00 H new ATOM 515 N LEU A 31 2.727 -2.318 8.859 1.00 0.00 N ATOM 516 CA LEU A 31 1.865 -3.337 8.321 1.00 0.00 C ATOM 517 C LEU A 31 2.156 -4.679 9.003 1.00 0.00 C ATOM 518 O LEU A 31 2.979 -5.464 8.526 1.00 0.00 O ATOM 519 CB LEU A 31 2.014 -3.460 6.789 1.00 0.00 C ATOM 520 CG LEU A 31 1.444 -2.320 5.897 1.00 0.00 C ATOM 521 CD1 LEU A 31 2.070 -0.986 6.181 1.00 0.00 C ATOM 522 CD2 LEU A 31 1.631 -2.661 4.447 1.00 0.00 C ATOM 0 H LEU A 31 3.716 -2.450 8.647 1.00 0.00 H new ATOM 0 HA LEU A 31 0.833 -3.049 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.076 -3.557 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.537 -4.391 6.483 1.00 0.00 H new ATOM 0 HG LEU A 31 0.383 -2.237 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.631 -0.232 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.890 -0.714 7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.144 -1.042 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.229 -1.858 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.693 -2.784 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.106 -3.589 4.221 1.00 0.00 H new ATOM 534 N PRO A 32 1.514 -4.954 10.160 1.00 0.00 N ATOM 535 CA PRO A 32 1.742 -6.185 10.920 1.00 0.00 C ATOM 536 C PRO A 32 0.941 -7.359 10.370 1.00 0.00 C ATOM 537 O PRO A 32 1.015 -8.467 10.879 1.00 0.00 O ATOM 538 CB PRO A 32 1.263 -5.830 12.345 1.00 0.00 C ATOM 539 CG PRO A 32 0.828 -4.394 12.287 1.00 0.00 C ATOM 540 CD PRO A 32 0.547 -4.097 10.847 1.00 0.00 C ATOM 0 HA PRO A 32 2.784 -6.500 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.440 -6.475 12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.064 -5.967 13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.060 -4.232 12.898 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.606 -3.736 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.480 -4.341 10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.697 -3.043 10.612 1.00 0.00 H new ATOM 548 N CYS A 33 0.180 -7.104 9.332 1.00 0.00 N ATOM 549 CA CYS A 33 -0.616 -8.129 8.711 1.00 0.00 C ATOM 550 C CYS A 33 0.227 -8.933 7.726 1.00 0.00 C ATOM 551 O CYS A 33 -0.110 -10.069 7.380 1.00 0.00 O ATOM 552 CB CYS A 33 -1.818 -7.503 8.028 1.00 0.00 C ATOM 553 SG CYS A 33 -1.391 -6.144 6.923 1.00 0.00 S ATOM 0 H CYS A 33 0.097 -6.185 8.898 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.977 -8.817 9.475 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.344 -8.271 7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.509 -7.139 8.788 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.182 -5.137 7.148 1.00 0.00 H new ATOM 559 N LEU A 34 1.325 -8.353 7.287 1.00 0.00 N ATOM 560 CA LEU A 34 2.216 -9.042 6.407 1.00 0.00 C ATOM 561 C LEU A 34 3.343 -9.625 7.189 1.00 0.00 C ATOM 562 O LEU A 34 3.742 -9.076 8.223 1.00 0.00 O ATOM 563 CB LEU A 34 2.754 -8.166 5.278 1.00 0.00 C ATOM 564 CG LEU A 34 1.732 -7.705 4.248 1.00 0.00 C ATOM 565 CD1 LEU A 34 1.131 -6.364 4.600 1.00 0.00 C ATOM 566 CD2 LEU A 34 2.327 -7.718 2.869 1.00 0.00 C ATOM 0 H LEU A 34 1.613 -7.405 7.531 1.00 0.00 H new ATOM 0 HA LEU A 34 1.638 -9.833 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.220 -7.285 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.540 -8.716 4.760 1.00 0.00 H new ATOM 0 HG LEU A 34 0.906 -8.416 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.408 -6.077 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.631 -6.432 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.920 -5.614 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.581 -7.385 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.186 -7.048 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.646 -8.730 2.620 1.00 0.00 H new ATOM 578 N THR A 35 3.823 -10.735 6.729 1.00 0.00 N ATOM 579 CA THR A 35 4.893 -11.436 7.343 1.00 0.00 C ATOM 580 C THR A 35 6.220 -10.651 7.240 1.00 0.00 C ATOM 581 O THR A 35 6.422 -9.862 6.294 1.00 0.00 O ATOM 582 CB THR A 35 4.987 -12.801 6.680 1.00 0.00 C ATOM 583 OG1 THR A 35 4.100 -12.808 5.517 1.00 0.00 O ATOM 584 CG2 THR A 35 4.577 -13.901 7.644 1.00 0.00 C ATOM 0 H THR A 35 3.466 -11.189 5.888 1.00 0.00 H new ATOM 0 HA THR A 35 4.703 -11.555 8.410 1.00 0.00 H new ATOM 0 HB THR A 35 6.018 -12.986 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.580 -13.168 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.653 -14.868 7.146 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.235 -13.888 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.548 -13.738 7.966 1.00 0.00 H new ATOM 592 N ALA A 36 7.098 -10.874 8.207 1.00 0.00 N ATOM 593 CA ALA A 36 8.348 -10.147 8.346 1.00 0.00 C ATOM 594 C ALA A 36 9.210 -10.151 7.084 1.00 0.00 C ATOM 595 O ALA A 36 9.556 -9.090 6.584 1.00 0.00 O ATOM 596 CB ALA A 36 9.128 -10.662 9.538 1.00 0.00 C ATOM 0 H ALA A 36 6.957 -11.579 8.930 1.00 0.00 H new ATOM 0 HA ALA A 36 8.078 -9.104 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.062 -10.107 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.537 -10.529 10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.347 -11.721 9.400 1.00 0.00 H new ATOM 602 N ARG A 37 9.539 -11.326 6.550 1.00 0.00 N ATOM 603 CA ARG A 37 10.397 -11.393 5.357 1.00 0.00 C ATOM 604 C ARG A 37 9.706 -10.797 4.123 1.00 0.00 C ATOM 605 O ARG A 37 10.373 -10.229 3.256 1.00 0.00 O ATOM 606 CB ARG A 37 10.941 -12.817 5.098 1.00 0.00 C ATOM 607 CG ARG A 37 11.867 -12.949 3.877 1.00 0.00 C ATOM 608 CD ARG A 37 13.095 -12.050 3.979 1.00 0.00 C ATOM 609 NE ARG A 37 13.969 -12.176 2.800 1.00 0.00 N ATOM 610 CZ ARG A 37 15.064 -11.434 2.568 1.00 0.00 C ATOM 611 NH1 ARG A 37 15.404 -10.462 3.386 1.00 0.00 N ATOM 612 NH2 ARG A 37 15.817 -11.668 1.497 1.00 0.00 N ATOM 0 H ARG A 37 9.235 -12.230 6.911 1.00 0.00 H new ATOM 0 HA ARG A 37 11.268 -10.771 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.483 -13.149 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.097 -13.494 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.187 -13.986 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.311 -12.699 2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.777 -11.013 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.658 -12.305 4.877 1.00 0.00 H new ATOM 0 HE ARG A 37 13.723 -12.882 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.834 -10.264 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.238 -9.906 3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.564 -12.413 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.648 -11.102 1.324 1.00 0.00 H new ATOM 626 N ASP A 38 8.376 -10.885 4.081 1.00 0.00 N ATOM 627 CA ASP A 38 7.571 -10.260 2.995 1.00 0.00 C ATOM 628 C ASP A 38 7.858 -8.772 2.933 1.00 0.00 C ATOM 629 O ASP A 38 7.971 -8.185 1.853 1.00 0.00 O ATOM 630 CB ASP A 38 6.049 -10.452 3.210 1.00 0.00 C ATOM 631 CG ASP A 38 5.515 -11.815 2.845 1.00 0.00 C ATOM 632 OD1 ASP A 38 5.849 -12.808 3.532 1.00 0.00 O ATOM 633 OD2 ASP A 38 4.684 -11.914 1.913 1.00 0.00 O ATOM 0 H ASP A 38 7.821 -11.379 4.779 1.00 0.00 H new ATOM 0 HA ASP A 38 7.855 -10.752 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.819 -10.258 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.518 -9.702 2.623 1.00 0.00 H new ATOM 638 N GLN A 39 7.981 -8.173 4.100 1.00 0.00 N ATOM 639 CA GLN A 39 8.265 -6.758 4.227 1.00 0.00 C ATOM 640 C GLN A 39 9.761 -6.484 4.117 1.00 0.00 C ATOM 641 O GLN A 39 10.186 -5.557 3.448 1.00 0.00 O ATOM 642 CB GLN A 39 7.731 -6.238 5.553 1.00 0.00 C ATOM 643 CG GLN A 39 6.221 -6.340 5.676 1.00 0.00 C ATOM 644 CD GLN A 39 5.490 -5.544 4.612 1.00 0.00 C ATOM 645 OE1 GLN A 39 5.172 -4.389 4.797 1.00 0.00 O ATOM 646 NE2 GLN A 39 5.225 -6.161 3.490 1.00 0.00 N ATOM 0 H GLN A 39 7.886 -8.657 4.993 1.00 0.00 H new ATOM 0 HA GLN A 39 7.767 -6.236 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.193 -6.797 6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.028 -5.196 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.925 -7.387 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.916 -5.987 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.506 -7.134 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.738 -5.670 2.741 1.00 0.00 H new ATOM 655 N ASP A 40 10.548 -7.329 4.746 1.00 0.00 N ATOM 656 CA ASP A 40 12.013 -7.188 4.795 1.00 0.00 C ATOM 657 C ASP A 40 12.633 -7.245 3.406 1.00 0.00 C ATOM 658 O ASP A 40 13.618 -6.551 3.115 1.00 0.00 O ATOM 659 CB ASP A 40 12.601 -8.278 5.665 1.00 0.00 C ATOM 660 CG ASP A 40 14.070 -8.086 5.936 1.00 0.00 C ATOM 661 OD1 ASP A 40 14.438 -7.132 6.650 1.00 0.00 O ATOM 662 OD2 ASP A 40 14.871 -8.913 5.494 1.00 0.00 O ATOM 0 H ASP A 40 10.200 -8.146 5.247 1.00 0.00 H new ATOM 0 HA ASP A 40 12.241 -6.210 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.063 -8.309 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.449 -9.243 5.181 1.00 0.00 H new ATOM 667 N ARG A 41 12.042 -8.057 2.553 1.00 0.00 N ATOM 668 CA ARG A 41 12.464 -8.184 1.162 1.00 0.00 C ATOM 669 C ARG A 41 12.288 -6.845 0.431 1.00 0.00 C ATOM 670 O ARG A 41 13.103 -6.463 -0.427 1.00 0.00 O ATOM 671 CB ARG A 41 11.647 -9.264 0.458 1.00 0.00 C ATOM 672 CG ARG A 41 12.019 -9.435 -0.992 1.00 0.00 C ATOM 673 CD ARG A 41 11.119 -10.416 -1.698 1.00 0.00 C ATOM 674 NE ARG A 41 11.486 -10.547 -3.110 1.00 0.00 N ATOM 675 CZ ARG A 41 10.636 -10.821 -4.101 1.00 0.00 C ATOM 676 NH1 ARG A 41 9.331 -10.929 -3.854 1.00 0.00 N ATOM 677 NH2 ARG A 41 11.089 -10.959 -5.344 1.00 0.00 N ATOM 0 H ARG A 41 11.252 -8.652 2.801 1.00 0.00 H new ATOM 0 HA ARG A 41 13.517 -8.466 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.786 -10.212 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.588 -9.014 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.967 -8.469 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.052 -9.776 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.183 -11.389 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.083 -10.087 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 41 12.468 -10.419 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.979 -10.802 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.684 -11.139 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.085 -10.855 -5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.440 -11.169 -6.103 1.00 0.00 H new ATOM 691 N LEU A 42 11.246 -6.131 0.801 1.00 0.00 N ATOM 692 CA LEU A 42 10.966 -4.837 0.238 1.00 0.00 C ATOM 693 C LEU A 42 12.032 -3.858 0.669 1.00 0.00 C ATOM 694 O LEU A 42 12.508 -3.078 -0.130 1.00 0.00 O ATOM 695 CB LEU A 42 9.569 -4.359 0.645 1.00 0.00 C ATOM 696 CG LEU A 42 8.403 -5.174 0.081 1.00 0.00 C ATOM 697 CD1 LEU A 42 7.116 -4.811 0.781 1.00 0.00 C ATOM 698 CD2 LEU A 42 8.256 -4.907 -1.402 1.00 0.00 C ATOM 0 H LEU A 42 10.571 -6.436 1.502 1.00 0.00 H new ATOM 0 HA LEU A 42 10.979 -4.907 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.503 -4.369 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.452 -3.323 0.328 1.00 0.00 H new ATOM 0 HG LEU A 42 8.612 -6.231 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.298 -5.400 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.210 -5.019 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.909 -3.751 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.424 -5.491 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.064 -3.846 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.174 -5.192 -1.916 1.00 0.00 H new ATOM 710 N ARG A 43 12.455 -3.948 1.924 1.00 0.00 N ATOM 711 CA ARG A 43 13.520 -3.082 2.432 1.00 0.00 C ATOM 712 C ARG A 43 14.811 -3.307 1.646 1.00 0.00 C ATOM 713 O ARG A 43 15.500 -2.350 1.283 1.00 0.00 O ATOM 714 CB ARG A 43 13.761 -3.288 3.932 1.00 0.00 C ATOM 715 CG ARG A 43 14.880 -2.415 4.481 1.00 0.00 C ATOM 716 CD ARG A 43 15.094 -2.613 5.965 1.00 0.00 C ATOM 717 NE ARG A 43 15.387 -4.006 6.302 1.00 0.00 N ATOM 718 CZ ARG A 43 16.551 -4.467 6.785 1.00 0.00 C ATOM 719 NH1 ARG A 43 17.626 -3.672 6.860 1.00 0.00 N ATOM 720 NH2 ARG A 43 16.648 -5.745 7.136 1.00 0.00 N ATOM 0 H ARG A 43 12.082 -4.607 2.608 1.00 0.00 H new ATOM 0 HA ARG A 43 13.196 -2.051 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.841 -3.073 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.002 -4.335 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.805 -2.640 3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.648 -1.368 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.916 -1.980 6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.204 -2.290 6.505 1.00 0.00 H new ATOM 0 HE ARG A 43 14.641 -4.687 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.566 -2.703 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.504 -4.036 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.843 -6.364 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.527 -6.107 7.504 1.00 0.00 H new ATOM 734 N ALA A 44 15.101 -4.568 1.351 1.00 0.00 N ATOM 735 CA ALA A 44 16.263 -4.920 0.552 1.00 0.00 C ATOM 736 C ALA A 44 16.149 -4.280 -0.822 1.00 0.00 C ATOM 737 O ALA A 44 17.082 -3.652 -1.307 1.00 0.00 O ATOM 738 CB ALA A 44 16.389 -6.433 0.424 1.00 0.00 C ATOM 0 H ALA A 44 14.543 -5.366 1.656 1.00 0.00 H new ATOM 0 HA ALA A 44 17.159 -4.547 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.265 -6.676 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.496 -6.874 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.496 -6.833 -0.057 1.00 0.00 H new ATOM 744 N THR A 45 14.970 -4.367 -1.398 1.00 0.00 N ATOM 745 CA THR A 45 14.712 -3.817 -2.708 1.00 0.00 C ATOM 746 C THR A 45 14.835 -2.262 -2.703 1.00 0.00 C ATOM 747 O THR A 45 15.284 -1.669 -3.692 1.00 0.00 O ATOM 748 CB THR A 45 13.320 -4.268 -3.224 1.00 0.00 C ATOM 749 OG1 THR A 45 13.214 -5.711 -3.107 1.00 0.00 O ATOM 750 CG2 THR A 45 13.123 -3.875 -4.693 1.00 0.00 C ATOM 0 H THR A 45 14.164 -4.822 -0.970 1.00 0.00 H new ATOM 0 HA THR A 45 15.469 -4.202 -3.392 1.00 0.00 H new ATOM 0 HB THR A 45 12.554 -3.776 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.113 -5.956 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.139 -4.203 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.198 -2.792 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.892 -4.350 -5.303 1.00 0.00 H new ATOM 758 N CYS A 46 14.512 -1.617 -1.571 1.00 0.00 N ATOM 759 CA CYS A 46 14.593 -0.191 -1.439 1.00 0.00 C ATOM 760 C CYS A 46 16.035 0.318 -1.588 1.00 0.00 C ATOM 761 O CYS A 46 16.263 1.416 -2.097 1.00 0.00 O ATOM 762 CB CYS A 46 14.047 0.231 -0.092 1.00 0.00 C ATOM 763 SG CYS A 46 12.327 -0.180 0.223 1.00 0.00 S ATOM 0 H CYS A 46 14.188 -2.091 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 46 13.998 0.248 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.658 -0.228 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 46 14.166 1.310 0.004 1.00 0.00 H new ATOM 0 HG CYS A 46 12.197 -1.471 0.304 1.00 0.00 H new ATOM 769 N THR A 47 16.999 -0.479 -1.166 1.00 0.00 N ATOM 770 CA THR A 47 18.383 -0.076 -1.261 1.00 0.00 C ATOM 771 C THR A 47 19.034 -0.680 -2.531 1.00 0.00 C ATOM 772 O THR A 47 20.218 -0.474 -2.815 1.00 0.00 O ATOM 773 CB THR A 47 19.177 -0.432 0.051 1.00 0.00 C ATOM 774 OG1 THR A 47 20.497 0.153 0.042 1.00 0.00 O ATOM 775 CG2 THR A 47 19.295 -1.940 0.252 1.00 0.00 C ATOM 0 H THR A 47 16.848 -1.401 -0.758 1.00 0.00 H new ATOM 0 HA THR A 47 18.424 1.009 -1.358 1.00 0.00 H new ATOM 0 HB THR A 47 18.606 -0.014 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.896 0.047 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.850 -2.143 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.299 -2.376 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 47 19.821 -2.380 -0.595 1.00 0.00 H new ATOM 783 N LEU A 48 18.245 -1.405 -3.299 1.00 0.00 N ATOM 784 CA LEU A 48 18.713 -1.982 -4.553 1.00 0.00 C ATOM 785 C LEU A 48 18.185 -1.167 -5.723 1.00 0.00 C ATOM 786 O LEU A 48 18.946 -0.636 -6.530 1.00 0.00 O ATOM 787 CB LEU A 48 18.252 -3.447 -4.706 1.00 0.00 C ATOM 788 CG LEU A 48 18.805 -4.466 -3.701 1.00 0.00 C ATOM 789 CD1 LEU A 48 18.206 -5.839 -3.959 1.00 0.00 C ATOM 790 CD2 LEU A 48 20.320 -4.534 -3.777 1.00 0.00 C ATOM 0 H LEU A 48 17.271 -1.612 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 48 19.803 -1.962 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.164 -3.467 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.519 -3.782 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 48 18.526 -4.141 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.607 -6.552 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.122 -5.789 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.459 -6.162 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.688 -5.263 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.621 -4.833 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.740 -3.554 -3.549 1.00 0.00 H new ATOM 802 N SER A 49 16.887 -1.051 -5.782 1.00 0.00 N ATOM 803 CA SER A 49 16.211 -0.383 -6.859 1.00 0.00 C ATOM 804 C SER A 49 15.981 1.112 -6.553 1.00 0.00 C ATOM 805 O SER A 49 16.339 1.983 -7.350 1.00 0.00 O ATOM 806 CB SER A 49 14.883 -1.109 -7.119 1.00 0.00 C ATOM 807 OG SER A 49 15.115 -2.469 -7.492 1.00 0.00 O ATOM 0 H SER A 49 16.259 -1.425 -5.071 1.00 0.00 H new ATOM 0 HA SER A 49 16.834 -0.418 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.262 -1.073 -6.224 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.333 -0.599 -7.909 1.00 0.00 H new ATOM 0 HG SER A 49 14.257 -2.915 -7.652 1.00 0.00 H new ATOM 813 N GLY A 50 15.419 1.392 -5.404 1.00 0.00 N ATOM 814 CA GLY A 50 15.069 2.725 -5.016 1.00 0.00 C ATOM 815 C GLY A 50 13.769 2.627 -4.296 1.00 0.00 C ATOM 816 O GLY A 50 13.354 1.512 -3.978 1.00 0.00 O ATOM 0 H GLY A 50 15.190 0.685 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.837 3.157 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.982 3.373 -5.888 1.00 0.00 H new ATOM 820 N ASN A 51 13.113 3.713 -4.022 1.00 0.00 N ATOM 821 CA ASN A 51 11.854 3.615 -3.353 1.00 0.00 C ATOM 822 C ASN A 51 10.723 3.358 -4.335 1.00 0.00 C ATOM 823 O ASN A 51 9.927 2.483 -4.120 1.00 0.00 O ATOM 824 CB ASN A 51 11.532 4.822 -2.457 1.00 0.00 C ATOM 825 CG ASN A 51 11.115 6.106 -3.146 1.00 0.00 C ATOM 826 OD1 ASN A 51 11.618 6.467 -4.209 1.00 0.00 O ATOM 827 ND2 ASN A 51 10.149 6.772 -2.568 1.00 0.00 N ATOM 0 H ASN A 51 13.421 4.659 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 51 11.945 2.757 -2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.734 4.532 -1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.411 5.035 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.787 7.623 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.757 6.441 -1.686 1.00 0.00 H new ATOM 834 N ARG A 52 10.702 4.117 -5.411 1.00 0.00 N ATOM 835 CA ARG A 52 9.654 4.052 -6.468 1.00 0.00 C ATOM 836 C ARG A 52 9.338 2.621 -6.924 1.00 0.00 C ATOM 837 O ARG A 52 8.200 2.173 -6.817 1.00 0.00 O ATOM 838 CB ARG A 52 10.043 4.899 -7.685 1.00 0.00 C ATOM 839 CG ARG A 52 9.016 4.869 -8.808 1.00 0.00 C ATOM 840 CD ARG A 52 9.486 5.649 -10.019 1.00 0.00 C ATOM 841 NE ARG A 52 9.675 7.081 -9.743 1.00 0.00 N ATOM 842 CZ ARG A 52 10.313 7.932 -10.560 1.00 0.00 C ATOM 843 NH1 ARG A 52 10.784 7.513 -11.727 1.00 0.00 N ATOM 844 NH2 ARG A 52 10.446 9.202 -10.222 1.00 0.00 N ATOM 0 H ARG A 52 11.418 4.818 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 52 8.751 4.456 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.189 5.931 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.000 4.546 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.820 3.836 -9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.074 5.285 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.426 5.226 -10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.760 5.533 -10.823 1.00 0.00 H new ATOM 0 HE ARG A 52 9.295 7.452 -8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.662 6.540 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.268 8.164 -12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.063 9.537 -9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.932 9.847 -10.845 1.00 0.00 H new ATOM 858 N ASP A 53 10.345 1.908 -7.408 1.00 0.00 N ATOM 859 CA ASP A 53 10.170 0.551 -7.892 1.00 0.00 C ATOM 860 C ASP A 53 9.677 -0.346 -6.786 1.00 0.00 C ATOM 861 O ASP A 53 8.754 -1.141 -6.965 1.00 0.00 O ATOM 862 CB ASP A 53 11.485 -0.003 -8.437 1.00 0.00 C ATOM 863 CG ASP A 53 11.914 0.591 -9.757 1.00 0.00 C ATOM 864 OD1 ASP A 53 11.287 0.285 -10.791 1.00 0.00 O ATOM 865 OD2 ASP A 53 12.899 1.366 -9.789 1.00 0.00 O ATOM 0 H ASP A 53 11.302 2.255 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 53 9.432 0.577 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.271 0.171 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.390 -1.083 -8.552 1.00 0.00 H new ATOM 870 N THR A 54 10.248 -0.160 -5.635 1.00 0.00 N ATOM 871 CA THR A 54 9.942 -0.941 -4.482 1.00 0.00 C ATOM 872 C THR A 54 8.534 -0.639 -3.953 1.00 0.00 C ATOM 873 O THR A 54 7.898 -1.491 -3.373 1.00 0.00 O ATOM 874 CB THR A 54 10.977 -0.663 -3.414 1.00 0.00 C ATOM 875 OG1 THR A 54 12.271 -0.847 -3.993 1.00 0.00 O ATOM 876 CG2 THR A 54 10.816 -1.601 -2.252 1.00 0.00 C ATOM 0 H THR A 54 10.955 0.556 -5.471 1.00 0.00 H new ATOM 0 HA THR A 54 9.964 -1.996 -4.757 1.00 0.00 H new ATOM 0 HB THR A 54 10.853 0.356 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.665 0.027 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.572 -1.380 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.824 -1.476 -1.818 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.935 -2.629 -2.595 1.00 0.00 H new ATOM 884 N LEU A 55 8.052 0.563 -4.193 1.00 0.00 N ATOM 885 CA LEU A 55 6.761 0.973 -3.803 1.00 0.00 C ATOM 886 C LEU A 55 5.734 0.167 -4.601 1.00 0.00 C ATOM 887 O LEU A 55 4.708 -0.248 -4.070 1.00 0.00 O ATOM 888 CB LEU A 55 6.632 2.458 -4.089 1.00 0.00 C ATOM 889 CG LEU A 55 5.363 3.103 -3.628 1.00 0.00 C ATOM 890 CD1 LEU A 55 5.331 3.324 -2.115 1.00 0.00 C ATOM 891 CD2 LEU A 55 5.087 4.362 -4.387 1.00 0.00 C ATOM 0 H LEU A 55 8.580 1.287 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 55 6.589 0.800 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.470 2.973 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.725 2.611 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 55 4.555 2.405 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.388 3.795 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.423 2.365 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.159 3.970 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.159 4.807 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.907 5.064 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.994 4.134 -5.449 1.00 0.00 H new ATOM 903 N TRP A 56 6.049 -0.101 -5.870 1.00 0.00 N ATOM 904 CA TRP A 56 5.188 -0.930 -6.694 1.00 0.00 C ATOM 905 C TRP A 56 5.246 -2.361 -6.170 1.00 0.00 C ATOM 906 O TRP A 56 4.219 -3.020 -6.020 1.00 0.00 O ATOM 907 CB TRP A 56 5.598 -0.882 -8.180 1.00 0.00 C ATOM 908 CG TRP A 56 4.622 -1.589 -9.083 1.00 0.00 C ATOM 909 CD1 TRP A 56 4.593 -2.922 -9.381 1.00 0.00 C ATOM 910 CD2 TRP A 56 3.528 -0.997 -9.802 1.00 0.00 C ATOM 911 NE1 TRP A 56 3.550 -3.196 -10.221 1.00 0.00 N ATOM 912 CE2 TRP A 56 2.880 -2.033 -10.500 1.00 0.00 C ATOM 913 CE3 TRP A 56 3.033 0.306 -9.917 1.00 0.00 C ATOM 914 CZ2 TRP A 56 1.763 -1.807 -11.301 1.00 0.00 C ATOM 915 CZ3 TRP A 56 1.925 0.528 -10.714 1.00 0.00 C ATOM 916 CH2 TRP A 56 1.301 -0.523 -11.396 1.00 0.00 C ATOM 0 H TRP A 56 6.887 0.243 -6.339 1.00 0.00 H new ATOM 0 HA TRP A 56 4.169 -0.548 -6.635 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.686 0.158 -8.493 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.583 -1.334 -8.294 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.293 -3.654 -9.007 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.309 -4.119 -10.583 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.507 1.123 -9.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 1.279 -2.616 -11.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.534 1.530 -10.812 1.00 0.00 H new ATOM 0 HH2 TRP A 56 0.437 -0.316 -12.010 1.00 0.00 H new ATOM 927 N HIS A 57 6.460 -2.822 -5.860 1.00 0.00 N ATOM 928 CA HIS A 57 6.672 -4.158 -5.273 1.00 0.00 C ATOM 929 C HIS A 57 5.912 -4.288 -3.953 1.00 0.00 C ATOM 930 O HIS A 57 5.390 -5.350 -3.624 1.00 0.00 O ATOM 931 CB HIS A 57 8.167 -4.451 -5.041 1.00 0.00 C ATOM 932 CG HIS A 57 8.971 -4.760 -6.275 1.00 0.00 C ATOM 933 ND1 HIS A 57 9.830 -5.828 -6.366 1.00 0.00 N ATOM 934 CD2 HIS A 57 9.067 -4.108 -7.458 1.00 0.00 C ATOM 935 CE1 HIS A 57 10.407 -5.802 -7.558 1.00 0.00 C ATOM 936 NE2 HIS A 57 9.981 -4.772 -8.272 1.00 0.00 N ATOM 0 H HIS A 57 7.319 -2.291 -6.005 1.00 0.00 H new ATOM 0 HA HIS A 57 6.291 -4.889 -5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.614 -3.590 -4.545 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.251 -5.294 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.522 -3.215 -7.727 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.130 -6.526 -7.902 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.263 -4.518 -9.219 1.00 0.00 H new ATOM 944 N LEU A 58 5.879 -3.200 -3.208 1.00 0.00 N ATOM 945 CA LEU A 58 5.138 -3.080 -1.967 1.00 0.00 C ATOM 946 C LEU A 58 3.677 -3.369 -2.235 1.00 0.00 C ATOM 947 O LEU A 58 3.146 -4.347 -1.731 1.00 0.00 O ATOM 948 CB LEU A 58 5.322 -1.663 -1.419 1.00 0.00 C ATOM 949 CG LEU A 58 4.519 -1.240 -0.180 1.00 0.00 C ATOM 950 CD1 LEU A 58 5.011 -1.933 1.076 1.00 0.00 C ATOM 951 CD2 LEU A 58 4.545 0.273 -0.019 1.00 0.00 C ATOM 0 H LEU A 58 6.383 -2.349 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 58 5.504 -3.794 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.379 -1.533 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.083 -0.965 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 58 3.486 -1.553 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.416 -1.606 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.913 -3.012 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.058 -1.680 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.971 0.555 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.576 0.609 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.107 0.740 -0.901 1.00 0.00 H new ATOM 963 N PHE A 59 3.057 -2.564 -3.095 1.00 0.00 N ATOM 964 CA PHE A 59 1.645 -2.763 -3.469 1.00 0.00 C ATOM 965 C PHE A 59 1.399 -4.179 -4.019 1.00 0.00 C ATOM 966 O PHE A 59 0.373 -4.800 -3.728 1.00 0.00 O ATOM 967 CB PHE A 59 1.158 -1.711 -4.481 1.00 0.00 C ATOM 968 CG PHE A 59 1.047 -0.312 -3.937 1.00 0.00 C ATOM 969 CD1 PHE A 59 0.103 -0.012 -2.970 1.00 0.00 C ATOM 970 CD2 PHE A 59 1.877 0.699 -4.391 1.00 0.00 C ATOM 971 CE1 PHE A 59 -0.007 1.266 -2.468 1.00 0.00 C ATOM 972 CE2 PHE A 59 1.770 1.981 -3.890 1.00 0.00 C ATOM 973 CZ PHE A 59 0.828 2.263 -2.929 1.00 0.00 C ATOM 0 H PHE A 59 3.503 -1.767 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 59 1.066 -2.641 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.841 -1.702 -5.330 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.183 -2.016 -4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.554 -0.788 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.617 0.482 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.747 1.488 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.424 2.760 -4.252 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.742 3.265 -2.535 1.00 0.00 H new ATOM 983 N ASN A 60 2.360 -4.679 -4.781 1.00 0.00 N ATOM 984 CA ASN A 60 2.317 -6.031 -5.353 1.00 0.00 C ATOM 985 C ASN A 60 2.315 -7.100 -4.244 1.00 0.00 C ATOM 986 O ASN A 60 1.600 -8.087 -4.324 1.00 0.00 O ATOM 987 CB ASN A 60 3.524 -6.248 -6.276 1.00 0.00 C ATOM 988 CG ASN A 60 3.566 -7.625 -6.935 1.00 0.00 C ATOM 989 OD1 ASN A 60 2.429 -8.158 -7.319 1.00 0.00 O flip ATOM 990 ND2 ASN A 60 4.640 -8.185 -7.137 1.00 0.00 N flip ATOM 0 H ASN A 60 3.202 -4.159 -5.026 1.00 0.00 H new ATOM 0 HA ASN A 60 1.396 -6.127 -5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.514 -5.485 -7.054 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.438 -6.105 -5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.509 -7.749 -6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.663 -9.086 -7.614 1.00 0.00 H new ATOM 997 N THR A 61 3.099 -6.878 -3.217 1.00 0.00 N ATOM 998 CA THR A 61 3.184 -7.797 -2.096 1.00 0.00 C ATOM 999 C THR A 61 1.906 -7.694 -1.228 1.00 0.00 C ATOM 1000 O THR A 61 1.370 -8.704 -0.757 1.00 0.00 O ATOM 1001 CB THR A 61 4.451 -7.489 -1.245 1.00 0.00 C ATOM 1002 OG1 THR A 61 5.625 -7.534 -2.089 1.00 0.00 O ATOM 1003 CG2 THR A 61 4.620 -8.498 -0.115 1.00 0.00 C ATOM 0 H THR A 61 3.698 -6.057 -3.130 1.00 0.00 H new ATOM 0 HA THR A 61 3.264 -8.815 -2.476 1.00 0.00 H new ATOM 0 HB THR A 61 4.330 -6.496 -0.812 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.699 -6.696 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.514 -8.254 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.748 -8.463 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.720 -9.500 -0.533 1.00 0.00 H new ATOM 1011 N LEU A 62 1.437 -6.468 -1.052 1.00 0.00 N ATOM 1012 CA LEU A 62 0.240 -6.145 -0.285 1.00 0.00 C ATOM 1013 C LEU A 62 -1.024 -6.779 -0.853 1.00 0.00 C ATOM 1014 O LEU A 62 -1.787 -7.387 -0.115 1.00 0.00 O ATOM 1015 CB LEU A 62 0.088 -4.624 -0.172 1.00 0.00 C ATOM 1016 CG LEU A 62 0.807 -3.925 1.007 1.00 0.00 C ATOM 1017 CD1 LEU A 62 2.261 -4.344 1.150 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.711 -2.418 0.855 1.00 0.00 C ATOM 0 H LEU A 62 1.891 -5.646 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 62 0.370 -6.572 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.449 -4.179 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.975 -4.395 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 62 0.298 -4.240 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.710 -3.819 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.315 -5.419 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.803 -4.094 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.220 -1.935 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.181 -2.116 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.337 -2.119 0.847 1.00 0.00 H new ATOM 1030 N GLN A 63 -1.224 -6.677 -2.170 1.00 0.00 N ATOM 1031 CA GLN A 63 -2.428 -7.242 -2.816 1.00 0.00 C ATOM 1032 C GLN A 63 -2.498 -8.761 -2.686 1.00 0.00 C ATOM 1033 O GLN A 63 -3.554 -9.357 -2.855 1.00 0.00 O ATOM 1034 CB GLN A 63 -2.514 -6.880 -4.299 1.00 0.00 C ATOM 1035 CG GLN A 63 -1.277 -7.265 -5.089 1.00 0.00 C ATOM 1036 CD GLN A 63 -1.502 -7.368 -6.577 1.00 0.00 C ATOM 1037 OE1 GLN A 63 -2.480 -6.679 -7.084 1.00 0.00 O flip ATOM 1038 NE2 GLN A 63 -0.804 -8.112 -7.265 1.00 0.00 N flip ATOM 0 H GLN A 63 -0.579 -6.215 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.270 -6.797 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.382 -7.374 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.676 -5.806 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.496 -6.529 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.908 -8.222 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.044 -8.639 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.986 -8.202 -8.265 1.00 0.00 H new ATOM 1047 N ARG A 64 -1.371 -9.384 -2.396 1.00 0.00 N ATOM 1048 CA ARG A 64 -1.312 -10.828 -2.276 1.00 0.00 C ATOM 1049 C ARG A 64 -1.619 -11.264 -0.856 1.00 0.00 C ATOM 1050 O ARG A 64 -1.462 -12.436 -0.499 1.00 0.00 O ATOM 1051 CB ARG A 64 0.041 -11.366 -2.754 1.00 0.00 C ATOM 1052 CG ARG A 64 0.307 -11.126 -4.238 1.00 0.00 C ATOM 1053 CD ARG A 64 -0.747 -11.804 -5.107 1.00 0.00 C ATOM 1054 NE ARG A 64 -0.550 -11.552 -6.538 1.00 0.00 N ATOM 1055 CZ ARG A 64 -1.314 -12.061 -7.516 1.00 0.00 C ATOM 1056 NH1 ARG A 64 -2.319 -12.880 -7.227 1.00 0.00 N ATOM 1057 NH2 ARG A 64 -1.074 -11.749 -8.780 1.00 0.00 N ATOM 0 H ARG A 64 -0.481 -8.910 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.077 -11.255 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.834 -10.898 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.088 -12.436 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.314 -10.055 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.295 -11.505 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.725 -12.879 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.736 -11.451 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 64 0.224 -10.946 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.514 -13.126 -6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.896 -13.263 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.306 -11.120 -9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.657 -12.138 -9.521 1.00 0.00 H new ATOM 1071 N ARG A 65 -2.058 -10.320 -0.057 1.00 0.00 N ATOM 1072 CA ARG A 65 -2.485 -10.555 1.296 1.00 0.00 C ATOM 1073 C ARG A 65 -3.922 -10.058 1.415 1.00 0.00 C ATOM 1074 O ARG A 65 -4.289 -9.085 0.764 1.00 0.00 O ATOM 1075 CB ARG A 65 -1.552 -9.843 2.290 1.00 0.00 C ATOM 1076 CG ARG A 65 -0.109 -10.336 2.227 1.00 0.00 C ATOM 1077 CD ARG A 65 -0.005 -11.812 2.582 1.00 0.00 C ATOM 1078 NE ARG A 65 1.362 -12.324 2.436 1.00 0.00 N ATOM 1079 CZ ARG A 65 1.703 -13.613 2.525 1.00 0.00 C ATOM 1080 NH1 ARG A 65 0.785 -14.535 2.806 1.00 0.00 N ATOM 1081 NH2 ARG A 65 2.970 -13.970 2.340 1.00 0.00 N ATOM 0 H ARG A 65 -2.129 -9.343 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.442 -11.617 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.571 -8.771 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.933 -9.986 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.288 -10.173 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.506 -9.752 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.339 -11.961 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.676 -12.386 1.942 1.00 0.00 H new ATOM 0 HE ARG A 65 2.104 -11.649 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.186 -14.259 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.052 -15.517 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.674 -13.262 2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.238 -14.952 2.406 1.00 0.00 H new ATOM 1095 N PRO A 66 -4.759 -10.695 2.248 1.00 0.00 N ATOM 1096 CA PRO A 66 -6.192 -10.384 2.315 1.00 0.00 C ATOM 1097 C PRO A 66 -6.531 -9.191 3.224 1.00 0.00 C ATOM 1098 O PRO A 66 -7.658 -9.063 3.686 1.00 0.00 O ATOM 1099 CB PRO A 66 -6.779 -11.676 2.884 1.00 0.00 C ATOM 1100 CG PRO A 66 -5.718 -12.204 3.793 1.00 0.00 C ATOM 1101 CD PRO A 66 -4.393 -11.770 3.205 1.00 0.00 C ATOM 0 HA PRO A 66 -6.586 -10.086 1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.706 -11.486 3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.013 -12.388 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.842 -11.812 4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.774 -13.290 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.715 -11.404 3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.889 -12.596 2.703 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.587 -8.317 3.443 1.00 0.00 N ATOM 1110 CA GLY A 67 -5.830 -7.182 4.291 1.00 0.00 C ATOM 1111 C GLY A 67 -4.651 -6.265 4.326 1.00 0.00 C ATOM 1112 O GLY A 67 -3.716 -6.487 5.085 1.00 0.00 O ATOM 0 H GLY A 67 -4.648 -8.368 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.705 -6.639 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.058 -7.523 5.301 1.00 0.00 H new ATOM 1116 N TRP A 68 -4.660 -5.259 3.483 1.00 0.00 N ATOM 1117 CA TRP A 68 -3.557 -4.336 3.446 1.00 0.00 C ATOM 1118 C TRP A 68 -3.996 -2.878 3.589 1.00 0.00 C ATOM 1119 O TRP A 68 -3.275 -2.078 4.172 1.00 0.00 O ATOM 1120 CB TRP A 68 -2.744 -4.527 2.154 1.00 0.00 C ATOM 1121 CG TRP A 68 -3.490 -4.239 0.862 1.00 0.00 C ATOM 1122 CD1 TRP A 68 -4.275 -5.102 0.147 1.00 0.00 C ATOM 1123 CD2 TRP A 68 -3.486 -3.001 0.126 1.00 0.00 C ATOM 1124 NE1 TRP A 68 -4.767 -4.471 -0.975 1.00 0.00 N ATOM 1125 CE2 TRP A 68 -4.291 -3.185 -1.009 1.00 0.00 C ATOM 1126 CE3 TRP A 68 -2.878 -1.756 0.326 1.00 0.00 C ATOM 1127 CZ2 TRP A 68 -4.504 -2.172 -1.942 1.00 0.00 C ATOM 1128 CZ3 TRP A 68 -3.091 -0.753 -0.598 1.00 0.00 C ATOM 1129 CH2 TRP A 68 -3.895 -0.966 -1.719 1.00 0.00 C ATOM 0 H TRP A 68 -5.411 -5.062 2.822 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.929 -4.560 4.308 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.867 -3.881 2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.381 -5.554 2.122 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -4.479 -6.126 0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -5.385 -4.892 -1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -2.252 -1.583 1.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -5.127 -2.332 -2.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -2.628 0.212 -0.451 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.040 -0.162 -2.426 1.00 0.00 H new ATOM 1140 N VAL A 69 -5.206 -2.563 3.118 1.00 0.00 N ATOM 1141 CA VAL A 69 -5.683 -1.174 2.991 1.00 0.00 C ATOM 1142 C VAL A 69 -5.565 -0.357 4.284 1.00 0.00 C ATOM 1143 O VAL A 69 -4.859 0.646 4.322 1.00 0.00 O ATOM 1144 CB VAL A 69 -7.143 -1.113 2.469 1.00 0.00 C ATOM 1145 CG1 VAL A 69 -7.586 0.329 2.265 1.00 0.00 C ATOM 1146 CG2 VAL A 69 -7.291 -1.899 1.174 1.00 0.00 C ATOM 0 H VAL A 69 -5.886 -3.260 2.813 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.016 -0.717 2.260 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.785 -1.568 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.613 0.346 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.530 0.864 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.933 0.811 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.323 -1.841 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.631 -1.479 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.025 -2.942 1.349 1.00 0.00 H new ATOM 1156 N GLU A 70 -6.213 -0.813 5.337 1.00 0.00 N ATOM 1157 CA GLU A 70 -6.270 -0.088 6.596 1.00 0.00 C ATOM 1158 C GLU A 70 -4.896 0.081 7.233 1.00 0.00 C ATOM 1159 O GLU A 70 -4.608 1.104 7.865 1.00 0.00 O ATOM 1160 CB GLU A 70 -7.156 -0.837 7.534 1.00 0.00 C ATOM 1161 CG GLU A 70 -8.587 -0.955 7.086 1.00 0.00 C ATOM 1162 CD GLU A 70 -9.331 -1.855 7.997 1.00 0.00 C ATOM 1163 OE1 GLU A 70 -9.214 -3.072 7.846 1.00 0.00 O ATOM 1164 OE2 GLU A 70 -9.980 -1.366 8.938 1.00 0.00 O ATOM 0 H GLU A 70 -6.717 -1.699 5.346 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.659 0.910 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.750 -1.839 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.133 -0.344 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.055 0.029 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.627 -1.341 6.067 1.00 0.00 H new ATOM 1171 N TYR A 71 -4.063 -0.910 7.054 1.00 0.00 N ATOM 1172 CA TYR A 71 -2.748 -0.926 7.623 1.00 0.00 C ATOM 1173 C TYR A 71 -1.866 0.033 6.867 1.00 0.00 C ATOM 1174 O TYR A 71 -1.062 0.756 7.449 1.00 0.00 O ATOM 1175 CB TYR A 71 -2.189 -2.332 7.535 1.00 0.00 C ATOM 1176 CG TYR A 71 -3.054 -3.375 8.203 1.00 0.00 C ATOM 1177 CD1 TYR A 71 -2.890 -3.686 9.541 1.00 0.00 C ATOM 1178 CD2 TYR A 71 -4.031 -4.059 7.485 1.00 0.00 C ATOM 1179 CE1 TYR A 71 -3.668 -4.646 10.147 1.00 0.00 C ATOM 1180 CE2 TYR A 71 -4.815 -5.016 8.086 1.00 0.00 C ATOM 1181 CZ TYR A 71 -4.628 -5.306 9.415 1.00 0.00 C ATOM 1182 OH TYR A 71 -5.397 -6.266 10.011 1.00 0.00 O ATOM 0 H TYR A 71 -4.285 -1.738 6.501 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.788 -0.620 8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.061 -2.597 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.199 -2.349 7.991 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.140 -3.167 10.119 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.176 -3.834 6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.526 -4.880 11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.572 -5.535 7.517 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.027 -6.634 9.356 1.00 0.00 H new ATOM 1192 N PHE A 72 -2.061 0.064 5.564 1.00 0.00 N ATOM 1193 CA PHE A 72 -1.321 0.937 4.712 1.00 0.00 C ATOM 1194 C PHE A 72 -1.650 2.392 5.036 1.00 0.00 C ATOM 1195 O PHE A 72 -0.764 3.214 5.086 1.00 0.00 O ATOM 1196 CB PHE A 72 -1.578 0.607 3.235 1.00 0.00 C ATOM 1197 CG PHE A 72 -0.749 1.410 2.279 1.00 0.00 C ATOM 1198 CD1 PHE A 72 0.618 1.212 2.196 1.00 0.00 C ATOM 1199 CD2 PHE A 72 -1.334 2.358 1.466 1.00 0.00 C ATOM 1200 CE1 PHE A 72 1.383 1.949 1.321 1.00 0.00 C ATOM 1201 CE2 PHE A 72 -0.572 3.097 0.588 1.00 0.00 C ATOM 1202 CZ PHE A 72 0.789 2.895 0.518 1.00 0.00 C ATOM 0 H PHE A 72 -2.741 -0.521 5.077 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.256 0.788 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.381 -0.452 3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.632 0.773 3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.090 0.471 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.400 2.523 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.449 1.785 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.042 3.835 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.388 3.478 -0.166 1.00 0.00 H new ATOM 1212 N ILE A 73 -2.930 2.682 5.315 1.00 0.00 N ATOM 1213 CA ILE A 73 -3.369 4.045 5.694 1.00 0.00 C ATOM 1214 C ILE A 73 -2.581 4.542 6.920 1.00 0.00 C ATOM 1215 O ILE A 73 -2.078 5.686 6.952 1.00 0.00 O ATOM 1216 CB ILE A 73 -4.900 4.096 6.020 1.00 0.00 C ATOM 1217 CG1 ILE A 73 -5.722 3.638 4.810 1.00 0.00 C ATOM 1218 CG2 ILE A 73 -5.320 5.510 6.442 1.00 0.00 C ATOM 1219 CD1 ILE A 73 -7.221 3.604 5.040 1.00 0.00 C ATOM 0 H ILE A 73 -3.683 1.995 5.287 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.175 4.691 4.838 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.093 3.417 6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.511 4.302 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.390 2.642 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.387 5.522 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.762 5.805 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.110 6.209 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.721 3.269 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.449 2.916 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.572 4.603 5.300 1.00 0.00 H new ATOM 1231 N ALA A 74 -2.425 3.652 7.889 1.00 0.00 N ATOM 1232 CA ALA A 74 -1.718 3.952 9.120 1.00 0.00 C ATOM 1233 C ALA A 74 -0.235 4.159 8.855 1.00 0.00 C ATOM 1234 O ALA A 74 0.439 4.885 9.582 1.00 0.00 O ATOM 1235 CB ALA A 74 -1.932 2.840 10.140 1.00 0.00 C ATOM 0 H ALA A 74 -2.787 2.700 7.841 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.120 4.879 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.395 3.080 11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.996 2.744 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.558 1.899 9.736 1.00 0.00 H new ATOM 1241 N ALA A 75 0.249 3.554 7.794 1.00 0.00 N ATOM 1242 CA ALA A 75 1.636 3.643 7.416 1.00 0.00 C ATOM 1243 C ALA A 75 2.005 5.043 6.932 1.00 0.00 C ATOM 1244 O ALA A 75 3.019 5.600 7.377 1.00 0.00 O ATOM 1245 CB ALA A 75 1.975 2.601 6.378 1.00 0.00 C ATOM 0 H ALA A 75 -0.316 2.982 7.166 1.00 0.00 H new ATOM 0 HA ALA A 75 2.232 3.445 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.027 2.686 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.784 1.608 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.359 2.756 5.492 1.00 0.00 H new ATOM 1251 N LEU A 76 1.192 5.633 6.030 1.00 0.00 N ATOM 1252 CA LEU A 76 1.464 6.977 5.563 1.00 0.00 C ATOM 1253 C LEU A 76 1.369 7.962 6.718 1.00 0.00 C ATOM 1254 O LEU A 76 2.216 8.843 6.875 1.00 0.00 O ATOM 1255 CB LEU A 76 0.500 7.414 4.459 1.00 0.00 C ATOM 1256 CG LEU A 76 0.362 6.531 3.218 1.00 0.00 C ATOM 1257 CD1 LEU A 76 1.659 5.916 2.747 1.00 0.00 C ATOM 1258 CD2 LEU A 76 -0.769 5.545 3.311 1.00 0.00 C ATOM 0 H LEU A 76 0.362 5.197 5.627 1.00 0.00 H new ATOM 0 HA LEU A 76 2.473 6.971 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.490 7.516 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.804 8.407 4.127 1.00 0.00 H new ATOM 0 HG LEU A 76 0.083 7.220 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.472 5.306 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.368 6.706 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.074 5.292 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.810 4.951 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.609 4.887 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.710 6.081 3.438 1.00 0.00 H new ATOM 1270 N ARG A 77 0.365 7.779 7.556 1.00 0.00 N ATOM 1271 CA ARG A 77 0.176 8.648 8.702 1.00 0.00 C ATOM 1272 C ARG A 77 1.333 8.477 9.695 1.00 0.00 C ATOM 1273 O ARG A 77 1.797 9.444 10.310 1.00 0.00 O ATOM 1274 CB ARG A 77 -1.182 8.374 9.366 1.00 0.00 C ATOM 1275 CG ARG A 77 -1.469 9.268 10.561 1.00 0.00 C ATOM 1276 CD ARG A 77 -2.890 9.111 11.090 1.00 0.00 C ATOM 1277 NE ARG A 77 -3.224 7.731 11.488 1.00 0.00 N ATOM 1278 CZ ARG A 77 -3.627 7.362 12.720 1.00 0.00 C ATOM 1279 NH1 ARG A 77 -3.483 8.190 13.758 1.00 0.00 N ATOM 1280 NH2 ARG A 77 -4.129 6.148 12.912 1.00 0.00 N ATOM 0 H ARG A 77 -0.330 7.038 7.465 1.00 0.00 H new ATOM 0 HA ARG A 77 0.175 9.684 8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.972 8.507 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.217 7.333 9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.762 9.039 11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.304 10.308 10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.024 9.770 11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.592 9.439 10.323 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.144 7.002 10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.065 9.110 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.791 7.902 14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.208 5.499 12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.435 5.864 13.843 1.00 0.00 H new ATOM 1294 N GLY A 78 1.819 7.257 9.796 1.00 0.00 N ATOM 1295 CA GLY A 78 2.913 6.926 10.682 1.00 0.00 C ATOM 1296 C GLY A 78 4.241 7.535 10.263 1.00 0.00 C ATOM 1297 O GLY A 78 5.136 7.681 11.083 1.00 0.00 O ATOM 0 H GLY A 78 1.463 6.464 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.669 7.265 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.018 5.842 10.727 1.00 0.00 H new ATOM 1301 N CYS A 79 4.376 7.891 9.004 1.00 0.00 N ATOM 1302 CA CYS A 79 5.596 8.514 8.526 1.00 0.00 C ATOM 1303 C CYS A 79 5.408 10.021 8.316 1.00 0.00 C ATOM 1304 O CYS A 79 6.200 10.670 7.628 1.00 0.00 O ATOM 1305 CB CYS A 79 6.129 7.800 7.269 1.00 0.00 C ATOM 1306 SG CYS A 79 4.920 7.547 5.960 1.00 0.00 S ATOM 0 H CYS A 79 3.658 7.761 8.291 1.00 0.00 H new ATOM 0 HA CYS A 79 6.359 8.403 9.296 1.00 0.00 H new ATOM 0 HB2 CYS A 79 6.960 8.379 6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.530 6.830 7.564 1.00 0.00 H new ATOM 0 HG CYS A 79 4.012 6.709 6.364 1.00 0.00 H new ATOM 1312 N GLU A 80 4.361 10.564 8.979 1.00 0.00 N ATOM 1313 CA GLU A 80 4.003 12.011 9.008 1.00 0.00 C ATOM 1314 C GLU A 80 3.332 12.483 7.710 1.00 0.00 C ATOM 1315 O GLU A 80 2.995 13.662 7.570 1.00 0.00 O ATOM 1316 CB GLU A 80 5.215 12.934 9.334 1.00 0.00 C ATOM 1317 CG GLU A 80 5.999 12.582 10.598 1.00 0.00 C ATOM 1318 CD GLU A 80 5.167 12.565 11.853 1.00 0.00 C ATOM 1319 OE1 GLU A 80 4.979 13.625 12.472 1.00 0.00 O ATOM 1320 OE2 GLU A 80 4.718 11.471 12.265 1.00 0.00 O ATOM 0 H GLU A 80 3.718 9.993 9.528 1.00 0.00 H new ATOM 0 HA GLU A 80 3.282 12.099 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.901 12.914 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.853 13.958 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.459 11.602 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.809 13.300 10.722 1.00 0.00 H new ATOM 1327 N LEU A 81 3.103 11.582 6.787 1.00 0.00 N ATOM 1328 CA LEU A 81 2.523 11.946 5.511 1.00 0.00 C ATOM 1329 C LEU A 81 1.016 11.724 5.536 1.00 0.00 C ATOM 1330 O LEU A 81 0.489 10.718 5.043 1.00 0.00 O ATOM 1331 CB LEU A 81 3.209 11.196 4.364 1.00 0.00 C ATOM 1332 CG LEU A 81 4.727 11.435 4.246 1.00 0.00 C ATOM 1333 CD1 LEU A 81 5.332 10.566 3.170 1.00 0.00 C ATOM 1334 CD2 LEU A 81 5.034 12.899 3.968 1.00 0.00 C ATOM 0 H LEU A 81 3.309 10.589 6.892 1.00 0.00 H new ATOM 0 HA LEU A 81 2.692 13.008 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.033 10.128 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.737 11.487 3.426 1.00 0.00 H new ATOM 0 HG LEU A 81 5.174 11.165 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.404 10.756 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.162 9.517 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.867 10.797 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.113 13.036 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.562 13.199 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.648 13.513 4.782 1.00 0.00 H new ATOM 1346 N VAL A 82 0.339 12.665 6.162 1.00 0.00 N ATOM 1347 CA VAL A 82 -1.103 12.606 6.390 1.00 0.00 C ATOM 1348 C VAL A 82 -1.880 12.735 5.070 1.00 0.00 C ATOM 1349 O VAL A 82 -2.978 12.179 4.915 1.00 0.00 O ATOM 1350 CB VAL A 82 -1.546 13.722 7.392 1.00 0.00 C ATOM 1351 CG1 VAL A 82 -3.031 13.628 7.730 1.00 0.00 C ATOM 1352 CG2 VAL A 82 -0.709 13.660 8.666 1.00 0.00 C ATOM 0 H VAL A 82 0.776 13.508 6.535 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.333 11.633 6.824 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.380 14.682 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.296 14.422 8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.619 13.736 6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.240 12.660 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.031 14.444 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.839 12.687 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.342 13.805 8.418 1.00 0.00 H new ATOM 1362 N ASP A 83 -1.279 13.402 4.110 1.00 0.00 N ATOM 1363 CA ASP A 83 -1.907 13.632 2.818 1.00 0.00 C ATOM 1364 C ASP A 83 -2.087 12.319 2.058 1.00 0.00 C ATOM 1365 O ASP A 83 -3.151 12.069 1.491 1.00 0.00 O ATOM 1366 CB ASP A 83 -1.104 14.638 1.980 1.00 0.00 C ATOM 1367 CG ASP A 83 0.264 14.136 1.598 1.00 0.00 C ATOM 1368 OD1 ASP A 83 1.118 13.994 2.487 1.00 0.00 O ATOM 1369 OD2 ASP A 83 0.508 13.888 0.399 1.00 0.00 O ATOM 0 H ASP A 83 -0.344 13.801 4.197 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.893 14.059 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.663 14.874 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.999 15.566 2.541 1.00 0.00 H new ATOM 1374 N LEU A 84 -1.078 11.466 2.082 1.00 0.00 N ATOM 1375 CA LEU A 84 -1.152 10.181 1.401 1.00 0.00 C ATOM 1376 C LEU A 84 -2.105 9.246 2.132 1.00 0.00 C ATOM 1377 O LEU A 84 -2.756 8.393 1.522 1.00 0.00 O ATOM 1378 CB LEU A 84 0.236 9.549 1.261 1.00 0.00 C ATOM 1379 CG LEU A 84 1.244 10.307 0.395 1.00 0.00 C ATOM 1380 CD1 LEU A 84 2.589 9.608 0.426 1.00 0.00 C ATOM 1381 CD2 LEU A 84 0.751 10.415 -1.041 1.00 0.00 C ATOM 0 H LEU A 84 -0.196 11.638 2.565 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.540 10.350 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.661 9.433 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.115 8.548 0.848 1.00 0.00 H new ATOM 0 HG LEU A 84 1.353 11.313 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.298 10.156 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.956 9.571 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.481 8.593 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.484 10.958 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.614 9.416 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.199 10.949 -1.060 1.00 0.00 H new ATOM 1393 N ALA A 85 -2.212 9.438 3.437 1.00 0.00 N ATOM 1394 CA ALA A 85 -3.127 8.662 4.253 1.00 0.00 C ATOM 1395 C ALA A 85 -4.565 9.001 3.881 1.00 0.00 C ATOM 1396 O ALA A 85 -5.432 8.124 3.844 1.00 0.00 O ATOM 1397 CB ALA A 85 -2.876 8.921 5.734 1.00 0.00 C ATOM 0 H ALA A 85 -1.671 10.130 3.955 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.957 7.602 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.572 8.330 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.853 8.639 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.023 9.980 5.948 1.00 0.00 H new ATOM 1403 N ASP A 86 -4.800 10.273 3.568 1.00 0.00 N ATOM 1404 CA ASP A 86 -6.130 10.748 3.180 1.00 0.00 C ATOM 1405 C ASP A 86 -6.546 10.158 1.858 1.00 0.00 C ATOM 1406 O ASP A 86 -7.708 9.783 1.674 1.00 0.00 O ATOM 1407 CB ASP A 86 -6.186 12.275 3.099 1.00 0.00 C ATOM 1408 CG ASP A 86 -7.567 12.777 2.703 1.00 0.00 C ATOM 1409 OD1 ASP A 86 -8.500 12.691 3.531 1.00 0.00 O ATOM 1410 OD2 ASP A 86 -7.748 13.259 1.558 1.00 0.00 O ATOM 0 H ASP A 86 -4.083 10.999 3.575 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.823 10.420 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.910 12.699 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.451 12.626 2.374 1.00 0.00 H new ATOM 1415 N GLU A 87 -5.586 10.054 0.950 1.00 0.00 N ATOM 1416 CA GLU A 87 -5.791 9.495 -0.354 1.00 0.00 C ATOM 1417 C GLU A 87 -6.381 8.095 -0.251 1.00 0.00 C ATOM 1418 O GLU A 87 -7.504 7.859 -0.691 1.00 0.00 O ATOM 1419 CB GLU A 87 -4.464 9.454 -1.087 1.00 0.00 C ATOM 1420 CG GLU A 87 -3.889 10.812 -1.420 1.00 0.00 C ATOM 1421 CD GLU A 87 -4.773 11.600 -2.354 1.00 0.00 C ATOM 1422 OE1 GLU A 87 -4.810 11.281 -3.557 1.00 0.00 O ATOM 1423 OE2 GLU A 87 -5.440 12.567 -1.897 1.00 0.00 O ATOM 0 H GLU A 87 -4.629 10.365 1.114 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.496 10.117 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.744 8.908 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.591 8.891 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.744 11.377 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.907 10.685 -1.875 1.00 0.00 H new ATOM 1430 N VAL A 88 -5.658 7.203 0.413 1.00 0.00 N ATOM 1431 CA VAL A 88 -6.086 5.811 0.550 1.00 0.00 C ATOM 1432 C VAL A 88 -7.405 5.726 1.335 1.00 0.00 C ATOM 1433 O VAL A 88 -8.296 4.944 0.989 1.00 0.00 O ATOM 1434 CB VAL A 88 -5.004 4.944 1.245 1.00 0.00 C ATOM 1435 CG1 VAL A 88 -5.392 3.468 1.246 1.00 0.00 C ATOM 1436 CG2 VAL A 88 -3.660 5.133 0.579 1.00 0.00 C ATOM 0 H VAL A 88 -4.770 7.416 0.867 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.240 5.419 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.931 5.274 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.613 2.887 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.334 3.340 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.507 3.121 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.915 4.516 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.728 4.839 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.366 6.181 0.643 1.00 0.00 H new ATOM 1446 N ALA A 89 -7.542 6.578 2.347 1.00 0.00 N ATOM 1447 CA ALA A 89 -8.741 6.609 3.176 1.00 0.00 C ATOM 1448 C ALA A 89 -9.976 7.011 2.369 1.00 0.00 C ATOM 1449 O ALA A 89 -11.076 6.545 2.641 1.00 0.00 O ATOM 1450 CB ALA A 89 -8.552 7.538 4.364 1.00 0.00 C ATOM 0 H ALA A 89 -6.832 7.260 2.613 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.906 5.598 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.459 7.545 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.716 7.189 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.346 8.547 4.008 1.00 0.00 H new ATOM 1456 N SER A 90 -9.785 7.857 1.371 1.00 0.00 N ATOM 1457 CA SER A 90 -10.878 8.296 0.520 1.00 0.00 C ATOM 1458 C SER A 90 -11.199 7.226 -0.522 1.00 0.00 C ATOM 1459 O SER A 90 -12.355 7.055 -0.930 1.00 0.00 O ATOM 1460 CB SER A 90 -10.513 9.608 -0.159 1.00 0.00 C ATOM 1461 OG SER A 90 -10.128 10.572 0.813 1.00 0.00 O ATOM 0 H SER A 90 -8.878 8.256 1.129 1.00 0.00 H new ATOM 0 HA SER A 90 -11.764 8.455 1.135 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.698 9.447 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.363 9.978 -0.733 1.00 0.00 H new ATOM 0 HG SER A 90 -9.253 10.332 1.184 1.00 0.00 H new ATOM 1467 N VAL A 91 -10.176 6.494 -0.936 1.00 0.00 N ATOM 1468 CA VAL A 91 -10.346 5.412 -1.884 1.00 0.00 C ATOM 1469 C VAL A 91 -11.185 4.303 -1.254 1.00 0.00 C ATOM 1470 O VAL A 91 -12.199 3.901 -1.809 1.00 0.00 O ATOM 1471 CB VAL A 91 -8.986 4.851 -2.377 1.00 0.00 C ATOM 1472 CG1 VAL A 91 -9.187 3.699 -3.339 1.00 0.00 C ATOM 1473 CG2 VAL A 91 -8.178 5.943 -3.048 1.00 0.00 C ATOM 0 H VAL A 91 -9.214 6.634 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.864 5.809 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.442 4.483 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.217 3.326 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.733 2.899 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.756 4.042 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.227 5.535 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.732 6.333 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.993 6.748 -2.337 1.00 0.00 H new ATOM 1483 N TYR A 92 -10.806 3.885 -0.053 1.00 0.00 N ATOM 1484 CA TYR A 92 -11.535 2.827 0.651 1.00 0.00 C ATOM 1485 C TYR A 92 -12.912 3.345 1.088 1.00 0.00 C ATOM 1486 O TYR A 92 -13.834 2.592 1.282 1.00 0.00 O ATOM 1487 CB TYR A 92 -10.723 2.314 1.851 1.00 0.00 C ATOM 1488 CG TYR A 92 -11.258 1.030 2.486 1.00 0.00 C ATOM 1489 CD1 TYR A 92 -11.170 -0.188 1.811 1.00 0.00 C ATOM 1490 CD2 TYR A 92 -11.817 1.028 3.763 1.00 0.00 C ATOM 1491 CE1 TYR A 92 -11.626 -1.365 2.384 1.00 0.00 C ATOM 1492 CE2 TYR A 92 -12.279 -0.146 4.341 1.00 0.00 C ATOM 1493 CZ TYR A 92 -12.180 -1.338 3.647 1.00 0.00 C ATOM 1494 OH TYR A 92 -12.631 -2.520 4.229 1.00 0.00 O ATOM 0 H TYR A 92 -10.004 4.257 0.455 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.684 1.986 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.695 2.143 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.694 3.094 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.738 -0.214 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.892 1.955 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.548 -2.298 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.714 -0.129 5.329 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.098 -3.272 3.897 1.00 0.00 H new ATOM 1504 N GLN A 93 -13.039 4.656 1.194 1.00 0.00 N ATOM 1505 CA GLN A 93 -14.316 5.287 1.523 1.00 0.00 C ATOM 1506 C GLN A 93 -15.275 5.147 0.329 1.00 0.00 C ATOM 1507 O GLN A 93 -16.507 5.167 0.471 1.00 0.00 O ATOM 1508 CB GLN A 93 -14.101 6.769 1.843 1.00 0.00 C ATOM 1509 CG GLN A 93 -15.333 7.518 2.328 1.00 0.00 C ATOM 1510 CD GLN A 93 -15.068 9.000 2.505 1.00 0.00 C ATOM 1511 OE1 GLN A 93 -14.256 9.587 1.791 1.00 0.00 O ATOM 1512 NE2 GLN A 93 -15.733 9.612 3.446 1.00 0.00 N ATOM 0 H GLN A 93 -12.271 5.313 1.057 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.746 4.797 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -13.325 6.850 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -13.724 7.265 0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.145 7.378 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -15.664 7.094 3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -16.399 9.094 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.587 10.608 3.608 1.00 0.00 H new ATOM 1521 N SER A 94 -14.703 4.993 -0.835 1.00 0.00 N ATOM 1522 CA SER A 94 -15.453 4.877 -2.050 1.00 0.00 C ATOM 1523 C SER A 94 -15.659 3.400 -2.414 1.00 0.00 C ATOM 1524 O SER A 94 -16.472 3.068 -3.280 1.00 0.00 O ATOM 1525 CB SER A 94 -14.707 5.618 -3.156 1.00 0.00 C ATOM 1526 OG SER A 94 -14.442 6.970 -2.755 1.00 0.00 O ATOM 0 H SER A 94 -13.692 4.944 -0.964 1.00 0.00 H new ATOM 0 HA SER A 94 -16.440 5.322 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.770 5.107 -3.379 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.299 5.612 -4.071 1.00 0.00 H new ATOM 0 HG SER A 94 -13.704 6.981 -2.110 1.00 0.00 H new ATOM 1532 N TYR A 95 -14.934 2.526 -1.733 1.00 0.00 N ATOM 1533 CA TYR A 95 -15.005 1.104 -1.945 1.00 0.00 C ATOM 1534 C TYR A 95 -15.196 0.404 -0.619 1.00 0.00 C ATOM 1535 O TYR A 95 -14.245 -0.075 -0.022 1.00 0.00 O ATOM 1536 CB TYR A 95 -13.754 0.594 -2.676 1.00 0.00 C ATOM 1537 CG TYR A 95 -13.522 1.251 -4.018 1.00 0.00 C ATOM 1538 CD1 TYR A 95 -14.477 1.173 -5.020 1.00 0.00 C ATOM 1539 CD2 TYR A 95 -12.352 1.945 -4.282 1.00 0.00 C ATOM 1540 CE1 TYR A 95 -14.275 1.768 -6.239 1.00 0.00 C ATOM 1541 CE2 TYR A 95 -12.141 2.545 -5.504 1.00 0.00 C ATOM 1542 CZ TYR A 95 -13.108 2.455 -6.479 1.00 0.00 C ATOM 1543 OH TYR A 95 -12.899 3.037 -7.701 1.00 0.00 O ATOM 0 H TYR A 95 -14.271 2.798 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 95 -15.861 0.880 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -12.882 0.761 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -13.842 -0.483 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -15.395 0.635 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.593 2.017 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -15.030 1.697 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.224 3.082 -5.695 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.283 3.792 -7.602 1.00 0.00 H new ATOM 1553 N GLN A 96 -16.446 0.424 -0.160 1.00 0.00 N ATOM 1554 CA GLN A 96 -16.874 -0.142 1.119 1.00 0.00 C ATOM 1555 C GLN A 96 -16.060 0.332 2.313 1.00 0.00 C ATOM 1556 O GLN A 96 -15.114 -0.324 2.740 1.00 0.00 O ATOM 1557 CB GLN A 96 -17.047 -1.656 1.079 1.00 0.00 C ATOM 1558 CG GLN A 96 -18.248 -2.068 0.253 1.00 0.00 C ATOM 1559 CD GLN A 96 -19.556 -1.523 0.820 1.00 0.00 C ATOM 1560 OE1 GLN A 96 -19.706 -1.337 2.032 1.00 0.00 O ATOM 1561 NE2 GLN A 96 -20.495 -1.257 -0.037 1.00 0.00 N ATOM 0 H GLN A 96 -17.212 0.847 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 96 -17.871 0.269 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -16.148 -2.113 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -17.158 -2.035 2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -18.122 -1.713 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -18.299 -3.156 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -20.339 -1.422 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -21.388 -0.883 0.284 1.00 0.00 H new ATOM 1570 N PRO A 97 -16.467 1.477 2.896 1.00 0.00 N ATOM 1571 CA PRO A 97 -15.730 2.125 4.001 1.00 0.00 C ATOM 1572 C PRO A 97 -15.803 1.306 5.279 1.00 0.00 C ATOM 1573 O PRO A 97 -14.950 1.403 6.163 1.00 0.00 O ATOM 1574 CB PRO A 97 -16.489 3.446 4.196 1.00 0.00 C ATOM 1575 CG PRO A 97 -17.862 3.165 3.691 1.00 0.00 C ATOM 1576 CD PRO A 97 -17.698 2.218 2.543 1.00 0.00 C ATOM 0 HA PRO A 97 -14.670 2.245 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.505 3.744 5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.020 4.259 3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.482 2.726 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.355 4.083 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -18.555 1.552 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.593 2.747 1.596 1.00 0.00 H new ATOM 1584 N ARG A 98 -16.818 0.501 5.349 1.00 0.00 N ATOM 1585 CA ARG A 98 -17.090 -0.302 6.480 1.00 0.00 C ATOM 1586 C ARG A 98 -16.742 -1.721 6.118 1.00 0.00 C ATOM 1587 O ARG A 98 -17.357 -2.292 5.213 1.00 0.00 O ATOM 1588 CB ARG A 98 -18.572 -0.180 6.840 1.00 0.00 C ATOM 1589 CG ARG A 98 -19.034 1.264 7.052 1.00 0.00 C ATOM 1590 CD ARG A 98 -20.479 1.329 7.508 1.00 0.00 C ATOM 1591 NE ARG A 98 -20.672 0.685 8.808 1.00 0.00 N ATOM 1592 CZ ARG A 98 -21.844 0.539 9.428 1.00 0.00 C ATOM 1593 NH1 ARG A 98 -22.953 1.036 8.897 1.00 0.00 N ATOM 1594 NH2 ARG A 98 -21.897 -0.080 10.596 1.00 0.00 N ATOM 0 H ARG A 98 -17.494 0.388 4.594 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.505 0.014 7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.168 -0.631 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.765 -0.751 7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -18.396 1.745 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -18.920 1.823 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -20.794 2.371 7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -21.116 0.847 6.766 1.00 0.00 H new ATOM 0 HE ARG A 98 -19.844 0.318 9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -22.914 1.534 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -23.845 0.920 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -21.043 -0.444 11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -22.791 -0.193 11.073 1.00 0.00 H new ATOM 1608 N THR A 99 -15.722 -2.260 6.759 1.00 0.00 N ATOM 1609 CA THR A 99 -15.271 -3.600 6.482 1.00 0.00 C ATOM 1610 C THR A 99 -16.331 -4.631 6.885 1.00 0.00 C ATOM 1611 O THR A 99 -16.522 -4.930 8.081 1.00 0.00 O ATOM 1612 CB THR A 99 -13.952 -3.889 7.207 1.00 0.00 C ATOM 1613 OG1 THR A 99 -13.065 -2.770 7.024 1.00 0.00 O ATOM 1614 CG2 THR A 99 -13.291 -5.134 6.632 1.00 0.00 C ATOM 0 H THR A 99 -15.188 -1.779 7.483 1.00 0.00 H new ATOM 0 HA THR A 99 -15.104 -3.680 5.408 1.00 0.00 H new ATOM 0 HB THR A 99 -14.157 -4.049 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.886 -2.647 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.356 -5.325 7.158 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.957 -5.988 6.753 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.087 -4.981 5.572 1.00 0.00 H new ATOM 1622 N SER A 100 -17.037 -5.105 5.898 1.00 0.00 N ATOM 1623 CA SER A 100 -18.069 -6.072 6.067 1.00 0.00 C ATOM 1624 C SER A 100 -17.694 -7.314 5.265 1.00 0.00 C ATOM 1625 O SER A 100 -17.410 -8.372 5.878 1.00 0.00 O ATOM 1626 CB SER A 100 -19.391 -5.483 5.579 1.00 0.00 C ATOM 1627 OG SER A 100 -19.644 -4.217 6.196 1.00 0.00 O ATOM 1628 OXT SER A 100 -17.576 -7.208 4.013 1.00 0.00 O ATOM 0 H SER A 100 -16.902 -4.817 4.929 1.00 0.00 H new ATOM 0 HA SER A 100 -18.183 -6.344 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.364 -5.365 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 100 -20.206 -6.171 5.804 1.00 0.00 H new ATOM 0 HG SER A 100 -19.013 -3.552 5.849 1.00 0.00 H new TER 1634 SER A 100