USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 153:sc= -0.0151 (180deg=-0.425) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -159:sc= -0.14 (180deg=-0.747) USER MOD Single : A 8 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.6) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 29:sc= 0.548 USER MOD Single : A 18 TYR OH : rot 180:sc=-0.000253 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.25! C(o=-2.3!,f=-7.7!) USER MOD Single : A 26 THR OG1 : rot 147:sc= -0.0886 USER MOD Single : A 38 ASN : amide:sc= -0.4 X(o=-0.4,f=0.0064) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.06 K(o=-1.1,f=-9.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 60:sc= 0.312 USER MOD Single : A 58 GLN :FLIP amide:sc= 0.397 F(o=-2.1,f=0.4) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.46 F(o=-2.8!,f=-1.5) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0264 F(o=-1.4!,f=-0.026) USER MOD Single : A 76 THR OG1 : rot -78:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -32.633 18.318 7.660 1.00 0.00 N ATOM 2 CA SER A 1 -31.616 17.251 7.471 1.00 0.00 C ATOM 3 C SER A 1 -30.633 17.625 6.361 1.00 0.00 C ATOM 4 O SER A 1 -30.665 17.044 5.274 1.00 0.00 O ATOM 5 CB SER A 1 -32.299 15.924 7.134 1.00 0.00 C ATOM 6 OG SER A 1 -33.185 15.528 8.166 1.00 0.00 O ATOM 0 H1 SER A 1 -33.507 17.901 8.041 1.00 0.00 H new ATOM 0 H2 SER A 1 -32.270 19.030 8.326 1.00 0.00 H new ATOM 0 H3 SER A 1 -32.835 18.771 6.746 1.00 0.00 H new ATOM 0 HA SER A 1 -31.061 17.143 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 1 -32.848 16.022 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 1 -31.545 15.152 6.982 1.00 0.00 H new ATOM 0 HG SER A 1 -33.609 14.678 7.925 1.00 0.00 H new ATOM 11 N PRO A 2 -29.745 18.602 6.620 1.00 0.00 N ATOM 12 CA PRO A 2 -28.753 19.051 5.638 1.00 0.00 C ATOM 13 C PRO A 2 -27.829 17.924 5.188 1.00 0.00 C ATOM 14 O PRO A 2 -27.174 17.281 6.009 1.00 0.00 O ATOM 15 CB PRO A 2 -27.953 20.128 6.383 1.00 0.00 C ATOM 16 CG PRO A 2 -28.244 19.900 7.829 1.00 0.00 C ATOM 17 CD PRO A 2 -29.639 19.351 7.882 1.00 0.00 C ATOM 0 HA PRO A 2 -29.230 19.414 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -26.886 20.039 6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -28.255 21.128 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -27.531 19.201 8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.167 20.828 8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -29.787 18.706 8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -30.384 20.145 7.945 1.00 0.00 H new ATOM 25 N ALA A 3 -27.782 17.692 3.881 1.00 0.00 N ATOM 26 CA ALA A 3 -26.937 16.645 3.319 1.00 0.00 C ATOM 27 C ALA A 3 -25.541 17.179 3.014 1.00 0.00 C ATOM 28 O ALA A 3 -25.235 17.537 1.877 1.00 0.00 O ATOM 29 CB ALA A 3 -27.577 16.071 2.063 1.00 0.00 C ATOM 0 H ALA A 3 -28.320 18.215 3.190 1.00 0.00 H new ATOM 0 HA ALA A 3 -26.839 15.848 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -26.937 15.290 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -28.551 15.649 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -27.703 16.863 1.324 1.00 0.00 H new ATOM 35 N ALA A 4 -24.701 17.230 4.044 1.00 0.00 N ATOM 36 CA ALA A 4 -23.338 17.725 3.905 1.00 0.00 C ATOM 37 C ALA A 4 -22.317 16.648 4.256 1.00 0.00 C ATOM 38 O ALA A 4 -21.121 16.803 4.010 1.00 0.00 O ATOM 39 CB ALA A 4 -23.145 18.927 4.807 1.00 0.00 C ATOM 0 H ALA A 4 -24.944 16.932 4.989 1.00 0.00 H new ATOM 0 HA ALA A 4 -23.181 18.010 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -22.126 19.299 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -23.847 19.711 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -23.323 18.637 5.843 1.00 0.00 H new ATOM 45 N MET A 5 -22.805 15.559 4.830 1.00 0.00 N ATOM 46 CA MET A 5 -21.941 14.447 5.237 1.00 0.00 C ATOM 47 C MET A 5 -22.246 13.231 4.380 1.00 0.00 C ATOM 48 O MET A 5 -21.413 12.342 4.199 1.00 0.00 O ATOM 49 CB MET A 5 -22.125 14.125 6.732 1.00 0.00 C ATOM 50 CG MET A 5 -21.751 12.700 7.111 1.00 0.00 C ATOM 51 SD MET A 5 -21.988 12.364 8.868 1.00 0.00 S ATOM 52 CE MET A 5 -20.862 13.551 9.598 1.00 0.00 C ATOM 0 H MET A 5 -23.795 15.416 5.027 1.00 0.00 H new ATOM 0 HA MET A 5 -20.900 14.734 5.090 1.00 0.00 H new ATOM 0 HB2 MET A 5 -21.520 14.816 7.319 1.00 0.00 H new ATOM 0 HB3 MET A 5 -23.165 14.301 7.005 1.00 0.00 H new ATOM 0 HG2 MET A 5 -22.352 12.003 6.527 1.00 0.00 H new ATOM 0 HG3 MET A 5 -20.709 12.520 6.848 1.00 0.00 H new ATOM 0 HE1 MET A 5 -20.608 13.237 10.610 1.00 0.00 H new ATOM 0 HE2 MET A 5 -19.954 13.608 8.998 1.00 0.00 H new ATOM 0 HE3 MET A 5 -21.338 14.531 9.631 1.00 0.00 H new ATOM 62 N GLU A 6 -23.461 13.221 3.855 1.00 0.00 N ATOM 63 CA GLU A 6 -23.938 12.139 3.003 1.00 0.00 C ATOM 64 C GLU A 6 -22.983 11.933 1.825 1.00 0.00 C ATOM 65 O GLU A 6 -22.881 10.835 1.278 1.00 0.00 O ATOM 66 CB GLU A 6 -25.359 12.464 2.490 1.00 0.00 C ATOM 67 CG GLU A 6 -25.343 13.292 1.239 1.00 0.00 C ATOM 68 CD GLU A 6 -26.350 12.832 0.205 1.00 0.00 C ATOM 69 OE1 GLU A 6 -27.523 13.256 0.290 1.00 0.00 O ATOM 70 OE2 GLU A 6 -25.969 12.047 -0.688 1.00 0.00 O ATOM 0 H GLU A 6 -24.146 13.962 4.006 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.974 11.218 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -25.894 11.534 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -25.909 12.995 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -25.546 14.332 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.344 13.261 0.803 1.00 0.00 H new ATOM 77 N ARG A 7 -22.287 13.004 1.447 1.00 0.00 N ATOM 78 CA ARG A 7 -21.350 12.969 0.338 1.00 0.00 C ATOM 79 C ARG A 7 -19.928 12.973 0.847 1.00 0.00 C ATOM 80 O ARG A 7 -19.260 14.005 0.914 1.00 0.00 O ATOM 81 CB ARG A 7 -21.582 14.146 -0.616 1.00 0.00 C ATOM 82 CG ARG A 7 -22.853 14.930 -0.324 1.00 0.00 C ATOM 83 CD ARG A 7 -22.686 15.859 0.866 1.00 0.00 C ATOM 84 NE ARG A 7 -22.908 17.261 0.492 1.00 0.00 N ATOM 85 CZ ARG A 7 -22.084 18.251 0.823 1.00 0.00 C ATOM 86 NH1 ARG A 7 -20.990 18.001 1.531 1.00 0.00 N ATOM 87 NH2 ARG A 7 -22.351 19.493 0.441 1.00 0.00 N ATOM 0 H ARG A 7 -22.360 13.914 1.902 1.00 0.00 H new ATOM 0 HA ARG A 7 -21.518 12.046 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -20.728 14.821 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -21.624 13.770 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -23.130 15.512 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -23.671 14.236 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -23.387 15.576 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -21.683 15.746 1.279 1.00 0.00 H new ATOM 0 HE ARG A 7 -23.740 17.489 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.779 17.047 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.360 18.763 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -23.189 19.689 -0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.719 20.252 0.695 1.00 0.00 H new ATOM 101 N GLN A 8 -19.497 11.789 1.205 1.00 0.00 N ATOM 102 CA GLN A 8 -18.148 11.570 1.720 1.00 0.00 C ATOM 103 C GLN A 8 -17.103 12.084 0.735 1.00 0.00 C ATOM 104 O GLN A 8 -17.326 12.091 -0.476 1.00 0.00 O ATOM 105 CB GLN A 8 -17.922 10.084 1.990 1.00 0.00 C ATOM 106 CG GLN A 8 -16.831 9.806 3.013 1.00 0.00 C ATOM 107 CD GLN A 8 -17.078 10.507 4.335 1.00 0.00 C ATOM 108 OE1 GLN A 8 -16.637 11.637 4.543 1.00 0.00 O ATOM 109 NE2 GLN A 8 -17.787 9.838 5.237 1.00 0.00 N ATOM 0 H GLN A 8 -20.064 10.943 1.152 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.045 12.123 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -18.855 9.641 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.664 9.589 1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.763 8.731 3.183 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.870 10.126 2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.133 8.903 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.985 10.259 6.145 1.00 0.00 H new ATOM 118 N VAL A 9 -15.961 12.513 1.263 1.00 0.00 N ATOM 119 CA VAL A 9 -14.880 13.031 0.432 1.00 0.00 C ATOM 120 C VAL A 9 -13.881 11.926 0.082 1.00 0.00 C ATOM 121 O VAL A 9 -13.752 10.945 0.816 1.00 0.00 O ATOM 122 CB VAL A 9 -14.157 14.209 1.135 1.00 0.00 C ATOM 123 CG1 VAL A 9 -12.670 13.936 1.325 1.00 0.00 C ATOM 124 CG2 VAL A 9 -14.372 15.501 0.361 1.00 0.00 C ATOM 0 H VAL A 9 -15.760 12.512 2.263 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.320 13.401 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.594 14.315 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.204 14.788 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.539 13.044 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.201 13.781 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.858 16.318 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.974 15.391 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.438 15.720 0.308 1.00 0.00 H new ATOM 134 N PRO A 10 -13.168 12.072 -1.054 1.00 0.00 N ATOM 135 CA PRO A 10 -12.176 11.090 -1.505 1.00 0.00 C ATOM 136 C PRO A 10 -11.277 10.599 -0.375 1.00 0.00 C ATOM 137 O PRO A 10 -10.705 11.397 0.368 1.00 0.00 O ATOM 138 CB PRO A 10 -11.356 11.872 -2.525 1.00 0.00 C ATOM 139 CG PRO A 10 -12.305 12.875 -3.090 1.00 0.00 C ATOM 140 CD PRO A 10 -13.277 13.211 -1.987 1.00 0.00 C ATOM 0 HA PRO A 10 -12.647 10.191 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.500 12.358 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.964 11.217 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.774 13.766 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.827 12.470 -3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.019 14.151 -1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.292 13.318 -2.369 1.00 0.00 H new ATOM 148 N TYR A 11 -11.162 9.278 -0.252 1.00 0.00 N ATOM 149 CA TYR A 11 -10.336 8.672 0.782 1.00 0.00 C ATOM 150 C TYR A 11 -8.900 9.177 0.699 1.00 0.00 C ATOM 151 O TYR A 11 -8.419 9.529 -0.379 1.00 0.00 O ATOM 152 CB TYR A 11 -10.360 7.149 0.647 1.00 0.00 C ATOM 153 CG TYR A 11 -10.058 6.427 1.936 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.996 6.374 2.957 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.834 5.800 2.136 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.728 5.717 4.140 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.558 5.139 3.317 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.507 5.102 4.317 1.00 0.00 C ATOM 159 OH TYR A 11 -9.236 4.445 5.494 1.00 0.00 O ATOM 0 H TYR A 11 -11.633 8.608 -0.859 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.744 8.955 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.341 6.839 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.634 6.847 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.953 6.856 2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.087 5.830 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.471 5.685 4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.603 4.653 3.457 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.333 4.066 5.457 1.00 0.00 H new ATOM 169 N THR A 12 -8.219 9.207 1.840 1.00 0.00 N ATOM 170 CA THR A 12 -6.839 9.674 1.895 1.00 0.00 C ATOM 171 C THR A 12 -5.877 8.530 2.215 1.00 0.00 C ATOM 172 O THR A 12 -5.703 8.170 3.380 1.00 0.00 O ATOM 173 CB THR A 12 -6.667 10.784 2.950 1.00 0.00 C ATOM 174 OG1 THR A 12 -7.583 11.853 2.687 1.00 0.00 O ATOM 175 CG2 THR A 12 -5.244 11.320 2.948 1.00 0.00 C ATOM 0 H THR A 12 -8.601 8.913 2.739 1.00 0.00 H new ATOM 0 HA THR A 12 -6.602 10.075 0.909 1.00 0.00 H new ATOM 0 HB THR A 12 -6.875 10.357 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.470 12.554 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.149 12.102 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.550 10.511 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.012 11.732 1.966 1.00 0.00 H new ATOM 183 N PRO A 13 -5.243 7.934 1.183 1.00 0.00 N ATOM 184 CA PRO A 13 -4.290 6.833 1.366 1.00 0.00 C ATOM 185 C PRO A 13 -3.181 7.165 2.358 1.00 0.00 C ATOM 186 O PRO A 13 -3.115 8.276 2.883 1.00 0.00 O ATOM 187 CB PRO A 13 -3.700 6.626 -0.029 1.00 0.00 C ATOM 188 CG PRO A 13 -4.750 7.121 -0.956 1.00 0.00 C ATOM 189 CD PRO A 13 -5.417 8.269 -0.246 1.00 0.00 C ATOM 0 HA PRO A 13 -4.782 5.951 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.769 7.180 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.473 5.576 -0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.315 7.446 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.468 6.335 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.950 9.222 -0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.470 8.350 -0.515 1.00 0.00 H new ATOM 197 N CYS A 14 -2.326 6.175 2.605 1.00 0.00 N ATOM 198 CA CYS A 14 -1.196 6.301 3.525 1.00 0.00 C ATOM 199 C CYS A 14 -0.710 7.744 3.634 1.00 0.00 C ATOM 200 O CYS A 14 -0.129 8.283 2.693 1.00 0.00 O ATOM 201 CB CYS A 14 -0.043 5.414 3.046 1.00 0.00 C ATOM 202 SG CYS A 14 0.820 4.516 4.376 1.00 0.00 S ATOM 0 H CYS A 14 -2.398 5.255 2.169 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.534 5.984 4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.431 4.691 2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.679 6.034 2.515 1.00 0.00 H new ATOM 207 N SER A 15 -0.953 8.368 4.785 1.00 0.00 N ATOM 208 CA SER A 15 -0.514 9.740 4.999 1.00 0.00 C ATOM 209 C SER A 15 0.830 9.722 5.712 1.00 0.00 C ATOM 210 O SER A 15 0.938 9.264 6.850 1.00 0.00 O ATOM 211 CB SER A 15 -1.542 10.519 5.823 1.00 0.00 C ATOM 212 OG SER A 15 -1.739 9.922 7.093 1.00 0.00 O ATOM 0 H SER A 15 -1.446 7.949 5.574 1.00 0.00 H new ATOM 0 HA SER A 15 -0.413 10.239 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.206 11.548 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.489 10.557 5.285 1.00 0.00 H new ATOM 0 HG SER A 15 -0.919 9.463 7.369 1.00 0.00 H new ATOM 218 N GLY A 16 1.849 10.221 5.032 1.00 0.00 N ATOM 219 CA GLY A 16 3.179 10.205 5.574 1.00 0.00 C ATOM 220 C GLY A 16 4.227 10.645 4.569 1.00 0.00 C ATOM 221 O GLY A 16 3.936 11.384 3.628 1.00 0.00 O ATOM 0 H GLY A 16 1.771 10.640 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.220 10.859 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.414 9.198 5.920 1.00 0.00 H new ATOM 225 N LEU A 17 5.455 10.176 4.784 1.00 0.00 N ATOM 226 CA LEU A 17 6.572 10.459 3.897 1.00 0.00 C ATOM 227 C LEU A 17 6.349 9.823 2.523 1.00 0.00 C ATOM 228 O LEU A 17 6.635 10.429 1.491 1.00 0.00 O ATOM 229 CB LEU A 17 7.867 9.914 4.529 1.00 0.00 C ATOM 230 CG LEU A 17 9.168 10.542 4.031 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.486 10.093 2.611 1.00 0.00 C ATOM 232 CD2 LEU A 17 9.065 12.052 4.114 1.00 0.00 C ATOM 0 H LEU A 17 5.699 9.588 5.581 1.00 0.00 H new ATOM 0 HA LEU A 17 6.654 11.537 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.808 10.054 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.912 8.840 4.349 1.00 0.00 H new ATOM 0 HG LEU A 17 9.987 10.207 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.417 10.556 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.592 9.008 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.677 10.393 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.993 12.500 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.236 12.395 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.892 12.349 5.148 1.00 0.00 H new ATOM 244 N TYR A 18 5.822 8.601 2.523 1.00 0.00 N ATOM 245 CA TYR A 18 5.578 7.862 1.280 1.00 0.00 C ATOM 246 C TYR A 18 4.340 8.378 0.554 1.00 0.00 C ATOM 247 O TYR A 18 4.300 8.452 -0.674 1.00 0.00 O ATOM 248 CB TYR A 18 5.401 6.383 1.619 1.00 0.00 C ATOM 249 CG TYR A 18 5.948 6.015 2.982 1.00 0.00 C ATOM 250 CD1 TYR A 18 7.315 5.988 3.213 1.00 0.00 C ATOM 251 CD2 TYR A 18 5.098 5.708 4.038 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.824 5.662 4.454 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.599 5.382 5.284 1.00 0.00 C ATOM 254 CZ TYR A 18 6.963 5.359 5.487 1.00 0.00 C ATOM 255 OH TYR A 18 7.466 5.034 6.725 1.00 0.00 O ATOM 0 H TYR A 18 5.554 8.098 3.369 1.00 0.00 H new ATOM 0 HA TYR A 18 6.430 8.003 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.341 6.132 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.899 5.780 0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.994 6.226 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.029 5.724 3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.892 5.644 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.926 5.146 6.095 1.00 0.00 H new ATOM 0 HH TYR A 18 6.726 4.849 7.340 1.00 0.00 H new ATOM 265 N GLY A 19 3.348 8.740 1.343 1.00 0.00 N ATOM 266 CA GLY A 19 2.108 9.303 0.829 1.00 0.00 C ATOM 267 C GLY A 19 1.356 8.407 -0.149 1.00 0.00 C ATOM 268 O GLY A 19 0.221 8.719 -0.511 1.00 0.00 O ATOM 0 H GLY A 19 3.375 8.654 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.452 9.530 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.332 10.249 0.335 1.00 0.00 H new ATOM 272 N THR A 20 1.962 7.302 -0.584 1.00 0.00 N ATOM 273 CA THR A 20 1.306 6.417 -1.540 1.00 0.00 C ATOM 274 C THR A 20 0.958 5.065 -0.920 1.00 0.00 C ATOM 275 O THR A 20 1.593 4.626 0.038 1.00 0.00 O ATOM 276 CB THR A 20 2.185 6.202 -2.787 1.00 0.00 C ATOM 277 OG1 THR A 20 2.711 7.458 -3.232 1.00 0.00 O ATOM 278 CG2 THR A 20 1.379 5.566 -3.910 1.00 0.00 C ATOM 0 H THR A 20 2.893 7.003 -0.293 1.00 0.00 H new ATOM 0 HA THR A 20 0.378 6.906 -1.835 1.00 0.00 H new ATOM 0 HB THR A 20 3.004 5.534 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.271 7.316 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.019 5.423 -4.781 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.994 4.601 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.546 6.218 -4.174 1.00 0.00 H new ATOM 286 N ALA A 21 -0.058 4.414 -1.483 1.00 0.00 N ATOM 287 CA ALA A 21 -0.513 3.115 -1.000 1.00 0.00 C ATOM 288 C ALA A 21 -0.414 2.075 -2.110 1.00 0.00 C ATOM 289 O ALA A 21 -1.196 2.103 -3.059 1.00 0.00 O ATOM 290 CB ALA A 21 -1.951 3.224 -0.505 1.00 0.00 C ATOM 0 H ALA A 21 -0.585 4.770 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 21 0.124 2.800 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.287 2.251 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.002 3.949 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.594 3.550 -1.323 1.00 0.00 H new ATOM 296 N GLN A 22 0.553 1.163 -2.002 1.00 0.00 N ATOM 297 CA GLN A 22 0.735 0.143 -3.021 1.00 0.00 C ATOM 298 C GLN A 22 1.018 -1.231 -2.423 1.00 0.00 C ATOM 299 O GLN A 22 0.894 -1.438 -1.215 1.00 0.00 O ATOM 300 CB GLN A 22 1.873 0.553 -3.942 1.00 0.00 C ATOM 301 CG GLN A 22 3.147 0.898 -3.204 1.00 0.00 C ATOM 302 CD GLN A 22 3.644 2.289 -3.545 1.00 0.00 C ATOM 303 OE1 GLN A 22 4.335 2.925 -2.753 1.00 0.00 O ATOM 304 NE2 GLN A 22 3.277 2.776 -4.728 1.00 0.00 N ATOM 0 H GLN A 22 1.213 1.114 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.196 0.062 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.075 -0.258 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.560 1.413 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.974 0.828 -2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.918 0.168 -3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.702 2.213 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.570 3.712 -5.007 1.00 0.00 H new ATOM 313 N CYS A 23 1.402 -2.166 -3.291 1.00 0.00 N ATOM 314 CA CYS A 23 1.699 -3.531 -2.883 1.00 0.00 C ATOM 315 C CYS A 23 2.997 -4.010 -3.525 1.00 0.00 C ATOM 316 O CYS A 23 3.108 -4.055 -4.751 1.00 0.00 O ATOM 317 CB CYS A 23 0.557 -4.462 -3.287 1.00 0.00 C ATOM 318 SG CYS A 23 -1.076 -3.961 -2.651 1.00 0.00 S ATOM 0 H CYS A 23 1.514 -1.996 -4.290 1.00 0.00 H new ATOM 0 HA CYS A 23 1.812 -3.547 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.511 -4.512 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.780 -5.468 -2.931 1.00 0.00 H new ATOM 323 N CYS A 24 3.977 -4.363 -2.700 1.00 0.00 N ATOM 324 CA CYS A 24 5.260 -4.837 -3.208 1.00 0.00 C ATOM 325 C CYS A 24 5.647 -6.164 -2.559 1.00 0.00 C ATOM 326 O CYS A 24 4.915 -6.699 -1.727 1.00 0.00 O ATOM 327 CB CYS A 24 6.349 -3.791 -2.957 1.00 0.00 C ATOM 328 SG CYS A 24 7.642 -3.741 -4.241 1.00 0.00 S ATOM 0 H CYS A 24 3.909 -4.330 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 24 5.162 -4.997 -4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.884 -2.808 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.817 -3.993 -1.993 1.00 0.00 H new ATOM 333 N ALA A 25 6.807 -6.688 -2.948 1.00 0.00 N ATOM 334 CA ALA A 25 7.299 -7.953 -2.416 1.00 0.00 C ATOM 335 C ALA A 25 8.579 -7.745 -1.619 1.00 0.00 C ATOM 336 O ALA A 25 9.220 -6.699 -1.719 1.00 0.00 O ATOM 337 CB ALA A 25 7.532 -8.944 -3.547 1.00 0.00 C ATOM 0 H ALA A 25 7.425 -6.253 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 25 6.544 -8.359 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.899 -9.885 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.595 -9.120 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.269 -8.538 -4.240 1.00 0.00 H new ATOM 343 N THR A 26 8.949 -8.748 -0.832 1.00 0.00 N ATOM 344 CA THR A 26 10.151 -8.667 -0.009 1.00 0.00 C ATOM 345 C THR A 26 11.030 -9.903 -0.179 1.00 0.00 C ATOM 346 O THR A 26 10.555 -10.965 -0.579 1.00 0.00 O ATOM 347 CB THR A 26 9.806 -8.487 1.480 1.00 0.00 C ATOM 348 OG1 THR A 26 10.984 -8.142 2.213 1.00 0.00 O ATOM 349 CG2 THR A 26 9.205 -9.759 2.058 1.00 0.00 C ATOM 0 H THR A 26 8.436 -9.625 -0.746 1.00 0.00 H new ATOM 0 HA THR A 26 10.703 -7.792 -0.351 1.00 0.00 H new ATOM 0 HB THR A 26 9.071 -7.686 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.746 -7.542 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.970 -9.605 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.293 -10.009 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.920 -10.576 1.962 1.00 0.00 H new ATOM 357 N ASP A 27 12.315 -9.753 0.134 1.00 0.00 N ATOM 358 CA ASP A 27 13.269 -10.847 0.002 1.00 0.00 C ATOM 359 C ASP A 27 13.192 -11.803 1.187 1.00 0.00 C ATOM 360 O ASP A 27 12.290 -11.711 2.020 1.00 0.00 O ATOM 361 CB ASP A 27 14.690 -10.297 -0.133 1.00 0.00 C ATOM 362 CG ASP A 27 15.349 -10.041 1.207 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.819 -9.217 1.978 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.392 -10.668 1.487 1.00 0.00 O ATOM 0 H ASP A 27 12.718 -8.883 0.481 1.00 0.00 H new ATOM 0 HA ASP A 27 13.010 -11.405 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.296 -11.003 -0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.663 -9.368 -0.703 1.00 0.00 H new ATOM 369 N VAL A 28 14.150 -12.717 1.249 1.00 0.00 N ATOM 370 CA VAL A 28 14.207 -13.710 2.311 1.00 0.00 C ATOM 371 C VAL A 28 14.390 -13.085 3.695 1.00 0.00 C ATOM 372 O VAL A 28 13.685 -13.441 4.640 1.00 0.00 O ATOM 373 CB VAL A 28 15.337 -14.723 2.061 1.00 0.00 C ATOM 374 CG1 VAL A 28 14.940 -15.667 0.942 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.641 -14.015 1.730 1.00 0.00 C ATOM 0 H VAL A 28 14.906 -12.791 0.568 1.00 0.00 H new ATOM 0 HA VAL A 28 13.244 -14.221 2.296 1.00 0.00 H new ATOM 0 HB VAL A 28 15.496 -15.300 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.743 -16.383 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.032 -16.201 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.759 -15.096 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.423 -14.755 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.509 -13.411 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.927 -13.371 2.562 1.00 0.00 H new ATOM 385 N LEU A 29 15.330 -12.151 3.812 1.00 0.00 N ATOM 386 CA LEU A 29 15.608 -11.503 5.089 1.00 0.00 C ATOM 387 C LEU A 29 14.543 -10.465 5.439 1.00 0.00 C ATOM 388 O LEU A 29 14.397 -10.083 6.601 1.00 0.00 O ATOM 389 CB LEU A 29 16.994 -10.860 5.052 1.00 0.00 C ATOM 390 CG LEU A 29 18.108 -11.791 4.580 1.00 0.00 C ATOM 391 CD1 LEU A 29 19.397 -11.012 4.377 1.00 0.00 C ATOM 392 CD2 LEU A 29 18.310 -12.919 5.580 1.00 0.00 C ATOM 0 H LEU A 29 15.911 -11.827 3.039 1.00 0.00 H new ATOM 0 HA LEU A 29 15.586 -12.265 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.961 -9.991 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.239 -10.496 6.050 1.00 0.00 H new ATOM 0 HG LEU A 29 17.820 -12.228 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.182 -11.689 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.240 -10.237 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.695 -10.550 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.107 -13.576 5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.582 -12.501 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.386 -13.489 5.677 1.00 0.00 H new ATOM 404 N GLY A 30 13.800 -10.011 4.433 1.00 0.00 N ATOM 405 CA GLY A 30 12.750 -9.032 4.668 1.00 0.00 C ATOM 406 C GLY A 30 13.074 -7.653 4.116 1.00 0.00 C ATOM 407 O GLY A 30 12.193 -6.797 4.029 1.00 0.00 O ATOM 0 H GLY A 30 13.905 -10.302 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.824 -9.388 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.571 -8.953 5.740 1.00 0.00 H new ATOM 411 N VAL A 31 14.332 -7.426 3.750 1.00 0.00 N ATOM 412 CA VAL A 31 14.740 -6.142 3.201 1.00 0.00 C ATOM 413 C VAL A 31 14.841 -6.202 1.685 1.00 0.00 C ATOM 414 O VAL A 31 15.759 -6.810 1.135 1.00 0.00 O ATOM 415 CB VAL A 31 16.080 -5.682 3.803 1.00 0.00 C ATOM 416 CG1 VAL A 31 17.252 -6.544 3.344 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.333 -4.213 3.497 1.00 0.00 C ATOM 0 H VAL A 31 15.082 -8.113 3.824 1.00 0.00 H new ATOM 0 HA VAL A 31 13.974 -5.414 3.468 1.00 0.00 H new ATOM 0 HB VAL A 31 16.003 -5.805 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.173 -6.177 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.085 -7.577 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.337 -6.494 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.285 -3.910 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.364 -4.066 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.531 -3.609 3.922 1.00 0.00 H new ATOM 427 N ALA A 32 13.892 -5.556 1.011 1.00 0.00 N ATOM 428 CA ALA A 32 13.866 -5.545 -0.442 1.00 0.00 C ATOM 429 C ALA A 32 12.592 -4.898 -0.977 1.00 0.00 C ATOM 430 O ALA A 32 11.598 -4.770 -0.262 1.00 0.00 O ATOM 431 CB ALA A 32 13.984 -6.966 -0.958 1.00 0.00 C ATOM 0 H ALA A 32 13.133 -5.035 1.451 1.00 0.00 H new ATOM 0 HA ALA A 32 14.709 -4.951 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.965 -6.960 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.922 -7.401 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.150 -7.559 -0.584 1.00 0.00 H new ATOM 437 N ASP A 33 12.636 -4.492 -2.240 1.00 0.00 N ATOM 438 CA ASP A 33 11.491 -3.869 -2.895 1.00 0.00 C ATOM 439 C ASP A 33 11.249 -4.535 -4.249 1.00 0.00 C ATOM 440 O ASP A 33 11.351 -3.896 -5.296 1.00 0.00 O ATOM 441 CB ASP A 33 11.739 -2.365 -3.066 1.00 0.00 C ATOM 442 CG ASP A 33 12.062 -1.689 -1.748 1.00 0.00 C ATOM 443 OD1 ASP A 33 13.179 -1.902 -1.231 1.00 0.00 O ATOM 444 OD2 ASP A 33 11.196 -0.953 -1.231 1.00 0.00 O ATOM 0 H ASP A 33 13.459 -4.584 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 33 10.603 -4.002 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.562 -2.210 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.857 -1.900 -3.505 1.00 0.00 H new ATOM 449 N LEU A 34 10.927 -5.829 -4.212 1.00 0.00 N ATOM 450 CA LEU A 34 10.694 -6.603 -5.425 1.00 0.00 C ATOM 451 C LEU A 34 9.277 -6.416 -5.953 1.00 0.00 C ATOM 452 O LEU A 34 8.312 -6.454 -5.194 1.00 0.00 O ATOM 453 CB LEU A 34 10.939 -8.082 -5.142 1.00 0.00 C ATOM 454 CG LEU A 34 12.063 -8.362 -4.144 1.00 0.00 C ATOM 455 CD1 LEU A 34 11.977 -9.784 -3.617 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.415 -8.114 -4.791 1.00 0.00 C ATOM 0 H LEU A 34 10.822 -6.362 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 34 11.386 -6.245 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.017 -8.524 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.171 -8.584 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 34 11.950 -7.682 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.787 -9.959 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.020 -9.929 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.063 -10.485 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.206 -8.317 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.532 -8.771 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.478 -7.075 -5.116 1.00 0.00 H new ATOM 468 N ASP A 35 9.166 -6.227 -7.262 1.00 0.00 N ATOM 469 CA ASP A 35 7.872 -6.045 -7.912 1.00 0.00 C ATOM 470 C ASP A 35 7.035 -4.976 -7.213 1.00 0.00 C ATOM 471 O ASP A 35 6.158 -5.288 -6.407 1.00 0.00 O ATOM 472 CB ASP A 35 7.108 -7.370 -7.940 1.00 0.00 C ATOM 473 CG ASP A 35 5.769 -7.251 -8.643 1.00 0.00 C ATOM 474 OD1 ASP A 35 5.740 -7.361 -9.886 1.00 0.00 O ATOM 475 OD2 ASP A 35 4.751 -7.048 -7.949 1.00 0.00 O ATOM 0 H ASP A 35 9.962 -6.196 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 35 8.058 -5.710 -8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.713 -8.125 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.950 -7.717 -6.919 1.00 0.00 H new ATOM 480 N CYS A 36 7.310 -3.714 -7.531 1.00 0.00 N ATOM 481 CA CYS A 36 6.573 -2.598 -6.944 1.00 0.00 C ATOM 482 C CYS A 36 5.672 -1.945 -7.989 1.00 0.00 C ATOM 483 O CYS A 36 6.123 -1.610 -9.085 1.00 0.00 O ATOM 484 CB CYS A 36 7.541 -1.559 -6.370 1.00 0.00 C ATOM 485 SG CYS A 36 7.901 -1.758 -4.591 1.00 0.00 S ATOM 0 H CYS A 36 8.037 -3.438 -8.191 1.00 0.00 H new ATOM 0 HA CYS A 36 5.953 -2.986 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.478 -1.609 -6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.126 -0.565 -6.534 1.00 0.00 H new ATOM 490 N ALA A 37 4.397 -1.764 -7.646 1.00 0.00 N ATOM 491 CA ALA A 37 3.440 -1.156 -8.564 1.00 0.00 C ATOM 492 C ALA A 37 2.161 -0.754 -7.837 1.00 0.00 C ATOM 493 O ALA A 37 1.977 -1.078 -6.664 1.00 0.00 O ATOM 494 CB ALA A 37 3.119 -2.116 -9.698 1.00 0.00 C ATOM 0 H ALA A 37 4.006 -2.029 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 37 3.892 -0.255 -8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.404 -1.651 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.033 -2.355 -10.242 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.690 -3.031 -9.290 1.00 0.00 H new ATOM 500 N ASN A 38 1.278 -0.053 -8.543 1.00 0.00 N ATOM 501 CA ASN A 38 0.015 0.389 -7.961 1.00 0.00 C ATOM 502 C ASN A 38 -0.878 -0.813 -7.646 1.00 0.00 C ATOM 503 O ASN A 38 -0.868 -1.804 -8.375 1.00 0.00 O ATOM 504 CB ASN A 38 -0.708 1.336 -8.919 1.00 0.00 C ATOM 505 CG ASN A 38 0.161 2.508 -9.338 1.00 0.00 C ATOM 506 OD1 ASN A 38 0.142 3.564 -8.708 1.00 0.00 O ATOM 507 ND2 ASN A 38 0.932 2.325 -10.405 1.00 0.00 N ATOM 0 H ASN A 38 1.413 0.220 -9.516 1.00 0.00 H new ATOM 0 HA ASN A 38 0.231 0.920 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.020 0.784 -9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.613 1.711 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.539 3.077 -10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.917 1.432 -10.898 1.00 0.00 H new ATOM 514 N PRO A 39 -1.663 -0.744 -6.554 1.00 0.00 N ATOM 515 CA PRO A 39 -2.549 -1.829 -6.146 1.00 0.00 C ATOM 516 C PRO A 39 -3.951 -1.698 -6.738 1.00 0.00 C ATOM 517 O PRO A 39 -4.626 -0.693 -6.512 1.00 0.00 O ATOM 518 CB PRO A 39 -2.596 -1.642 -4.637 1.00 0.00 C ATOM 519 CG PRO A 39 -2.527 -0.162 -4.444 1.00 0.00 C ATOM 520 CD PRO A 39 -1.763 0.399 -5.625 1.00 0.00 C ATOM 0 HA PRO A 39 -2.199 -2.806 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.511 -2.056 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.762 -2.146 -4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.527 0.268 -4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.025 0.083 -3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.289 1.239 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.779 0.761 -5.329 1.00 0.00 H new ATOM 528 N PRO A 40 -4.421 -2.700 -7.505 1.00 0.00 N ATOM 529 CA PRO A 40 -5.751 -2.653 -8.093 1.00 0.00 C ATOM 530 C PRO A 40 -6.802 -3.281 -7.182 1.00 0.00 C ATOM 531 O PRO A 40 -6.803 -4.493 -6.963 1.00 0.00 O ATOM 532 CB PRO A 40 -5.563 -3.495 -9.350 1.00 0.00 C ATOM 533 CG PRO A 40 -4.563 -4.541 -8.956 1.00 0.00 C ATOM 534 CD PRO A 40 -3.711 -3.941 -7.861 1.00 0.00 C ATOM 0 HA PRO A 40 -6.106 -1.638 -8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.503 -3.945 -9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.199 -2.891 -10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.065 -5.443 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.949 -4.830 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.626 -4.613 -7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.698 -3.737 -8.208 1.00 0.00 H new ATOM 542 N ALA A 41 -7.699 -2.449 -6.661 1.00 0.00 N ATOM 543 CA ALA A 41 -8.767 -2.917 -5.785 1.00 0.00 C ATOM 544 C ALA A 41 -9.693 -1.770 -5.403 1.00 0.00 C ATOM 545 O ALA A 41 -9.540 -0.648 -5.885 1.00 0.00 O ATOM 546 CB ALA A 41 -8.184 -3.562 -4.537 1.00 0.00 C ATOM 0 H ALA A 41 -7.707 -1.443 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.350 -3.663 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.993 -3.906 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.562 -4.410 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.578 -2.832 -4.000 1.00 0.00 H new ATOM 552 N THR A 42 -10.657 -2.060 -4.536 1.00 0.00 N ATOM 553 CA THR A 42 -11.571 -1.046 -4.044 1.00 0.00 C ATOM 554 C THR A 42 -11.252 -0.760 -2.582 1.00 0.00 C ATOM 555 O THR A 42 -11.824 -1.373 -1.680 1.00 0.00 O ATOM 556 CB THR A 42 -13.032 -1.502 -4.167 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.311 -1.901 -5.515 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.971 -0.381 -3.761 1.00 0.00 C ATOM 0 H THR A 42 -10.823 -2.994 -4.161 1.00 0.00 H new ATOM 0 HA THR A 42 -11.446 -0.146 -4.646 1.00 0.00 H new ATOM 0 HB THR A 42 -13.187 -2.352 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.244 -2.192 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.003 -0.719 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.773 -0.097 -2.727 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.812 0.480 -4.410 1.00 0.00 H new ATOM 566 N LEU A 43 -10.336 0.179 -2.354 1.00 0.00 N ATOM 567 CA LEU A 43 -9.914 0.518 -0.996 1.00 0.00 C ATOM 568 C LEU A 43 -11.063 1.112 -0.183 1.00 0.00 C ATOM 569 O LEU A 43 -11.673 2.104 -0.583 1.00 0.00 O ATOM 570 CB LEU A 43 -8.728 1.494 -1.018 1.00 0.00 C ATOM 571 CG LEU A 43 -7.549 1.096 -1.919 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.311 1.909 -1.563 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.256 -0.395 -1.813 1.00 0.00 C ATOM 0 H LEU A 43 -9.874 0.716 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.600 -0.408 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.092 2.470 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.359 1.610 0.001 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.825 1.312 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.484 1.615 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.520 2.970 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.041 1.724 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.417 -0.648 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.006 -0.644 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.135 -0.961 -2.120 1.00 0.00 H new ATOM 585 N ALA A 44 -11.352 0.494 0.964 1.00 0.00 N ATOM 586 CA ALA A 44 -12.428 0.957 1.836 1.00 0.00 C ATOM 587 C ALA A 44 -11.916 1.327 3.229 1.00 0.00 C ATOM 588 O ALA A 44 -12.441 2.241 3.867 1.00 0.00 O ATOM 589 CB ALA A 44 -13.512 -0.103 1.940 1.00 0.00 C ATOM 0 H ALA A 44 -10.855 -0.327 1.309 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.846 1.859 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.309 0.254 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.918 -0.306 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.088 -1.018 2.353 1.00 0.00 H new ATOM 595 N ASN A 45 -10.894 0.614 3.698 1.00 0.00 N ATOM 596 CA ASN A 45 -10.321 0.872 5.017 1.00 0.00 C ATOM 597 C ASN A 45 -8.945 0.216 5.158 1.00 0.00 C ATOM 598 O ASN A 45 -8.453 -0.414 4.223 1.00 0.00 O ATOM 599 CB ASN A 45 -11.269 0.384 6.124 1.00 0.00 C ATOM 600 CG ASN A 45 -11.190 -1.115 6.381 1.00 0.00 C ATOM 601 OD1 ASN A 45 -10.266 -1.590 7.037 1.00 0.00 O ATOM 602 ND2 ASN A 45 -12.174 -1.869 5.888 1.00 0.00 N ATOM 0 H ASN A 45 -10.446 -0.146 3.185 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.192 1.949 5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.038 0.915 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.293 0.644 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -12.176 -2.876 6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.925 -1.439 5.348 1.00 0.00 H new ATOM 609 N ALA A 46 -8.328 0.377 6.331 1.00 0.00 N ATOM 610 CA ALA A 46 -7.003 -0.188 6.594 1.00 0.00 C ATOM 611 C ALA A 46 -6.939 -1.674 6.261 1.00 0.00 C ATOM 612 O ALA A 46 -6.127 -2.100 5.439 1.00 0.00 O ATOM 613 CB ALA A 46 -6.612 0.040 8.048 1.00 0.00 C ATOM 0 H ALA A 46 -8.726 0.895 7.115 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.295 0.325 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.625 -0.385 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.591 1.110 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.340 -0.442 8.700 1.00 0.00 H new ATOM 619 N THR A 47 -7.795 -2.459 6.904 1.00 0.00 N ATOM 620 CA THR A 47 -7.835 -3.892 6.684 1.00 0.00 C ATOM 621 C THR A 47 -8.154 -4.207 5.229 1.00 0.00 C ATOM 622 O THR A 47 -7.637 -5.171 4.663 1.00 0.00 O ATOM 623 CB THR A 47 -8.879 -4.551 7.600 1.00 0.00 C ATOM 624 OG1 THR A 47 -8.457 -4.465 8.967 1.00 0.00 O ATOM 625 CG2 THR A 47 -9.101 -6.004 7.225 1.00 0.00 C ATOM 0 H THR A 47 -8.474 -2.120 7.586 1.00 0.00 H new ATOM 0 HA THR A 47 -6.851 -4.295 6.922 1.00 0.00 H new ATOM 0 HB THR A 47 -9.821 -4.017 7.474 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.128 -4.886 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.844 -6.442 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.455 -6.064 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.163 -6.551 7.318 1.00 0.00 H new ATOM 633 N HIS A 48 -9.005 -3.385 4.630 1.00 0.00 N ATOM 634 CA HIS A 48 -9.386 -3.566 3.239 1.00 0.00 C ATOM 635 C HIS A 48 -8.162 -3.425 2.341 1.00 0.00 C ATOM 636 O HIS A 48 -8.046 -4.098 1.317 1.00 0.00 O ATOM 637 CB HIS A 48 -10.450 -2.543 2.847 1.00 0.00 C ATOM 638 CG HIS A 48 -11.358 -3.019 1.759 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.719 -3.180 1.927 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.097 -3.371 0.477 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.253 -3.611 0.799 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.290 -3.735 -0.097 1.00 0.00 N ATOM 0 H HIS A 48 -9.444 -2.586 5.088 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.801 -4.566 3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.046 -2.295 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.959 -1.624 2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.130 -3.366 -0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.299 -3.826 0.636 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.413 -4.050 -1.059 1.00 0.00 H new ATOM 651 N PHE A 49 -7.252 -2.541 2.741 1.00 0.00 N ATOM 652 CA PHE A 49 -6.021 -2.310 1.994 1.00 0.00 C ATOM 653 C PHE A 49 -5.093 -3.516 2.112 1.00 0.00 C ATOM 654 O PHE A 49 -4.392 -3.867 1.163 1.00 0.00 O ATOM 655 CB PHE A 49 -5.319 -1.046 2.510 1.00 0.00 C ATOM 656 CG PHE A 49 -4.014 -0.746 1.825 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.926 -0.722 0.440 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.876 -0.479 2.568 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.726 -0.444 -0.186 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.674 -0.200 1.946 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.598 -0.182 0.568 1.00 0.00 C ATOM 0 H PHE A 49 -7.346 -1.971 3.582 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.272 -2.168 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.988 -0.195 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.139 -1.154 3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.805 -0.923 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.929 -0.489 3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.670 -0.431 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.794 0.004 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.659 0.036 0.080 1.00 0.00 H new ATOM 671 N GLU A 50 -5.093 -4.147 3.284 1.00 0.00 N ATOM 672 CA GLU A 50 -4.263 -5.324 3.520 1.00 0.00 C ATOM 673 C GLU A 50 -4.749 -6.489 2.665 1.00 0.00 C ATOM 674 O GLU A 50 -3.965 -7.341 2.248 1.00 0.00 O ATOM 675 CB GLU A 50 -4.299 -5.709 4.999 1.00 0.00 C ATOM 676 CG GLU A 50 -3.476 -6.943 5.332 1.00 0.00 C ATOM 677 CD GLU A 50 -3.608 -7.355 6.784 1.00 0.00 C ATOM 678 OE1 GLU A 50 -2.869 -6.805 7.627 1.00 0.00 O ATOM 679 OE2 GLU A 50 -4.452 -8.228 7.079 1.00 0.00 O ATOM 0 H GLU A 50 -5.658 -3.863 4.084 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.235 -5.088 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.935 -4.870 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.334 -5.883 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.791 -7.769 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.427 -6.748 5.107 1.00 0.00 H new ATOM 686 N SER A 51 -6.055 -6.515 2.411 1.00 0.00 N ATOM 687 CA SER A 51 -6.664 -7.565 1.604 1.00 0.00 C ATOM 688 C SER A 51 -6.381 -7.329 0.123 1.00 0.00 C ATOM 689 O SER A 51 -6.512 -8.237 -0.698 1.00 0.00 O ATOM 690 CB SER A 51 -8.178 -7.607 1.850 1.00 0.00 C ATOM 691 OG SER A 51 -8.781 -8.678 1.147 1.00 0.00 O ATOM 0 H SER A 51 -6.714 -5.816 2.755 1.00 0.00 H new ATOM 0 HA SER A 51 -6.231 -8.522 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.373 -7.713 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.626 -6.664 1.536 1.00 0.00 H new ATOM 0 HG SER A 51 -9.745 -8.683 1.322 1.00 0.00 H new ATOM 697 N THR A 52 -5.992 -6.101 -0.206 1.00 0.00 N ATOM 698 CA THR A 52 -5.686 -5.735 -1.584 1.00 0.00 C ATOM 699 C THR A 52 -4.358 -6.338 -2.027 1.00 0.00 C ATOM 700 O THR A 52 -4.235 -6.844 -3.143 1.00 0.00 O ATOM 701 CB THR A 52 -5.626 -4.204 -1.753 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.913 -3.632 -1.490 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.176 -3.823 -3.156 1.00 0.00 C ATOM 0 H THR A 52 -5.881 -5.341 0.465 1.00 0.00 H new ATOM 0 HA THR A 52 -6.487 -6.132 -2.207 1.00 0.00 H new ATOM 0 HB THR A 52 -4.899 -3.815 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.182 -3.840 -0.571 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.143 -2.737 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.183 -4.233 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.879 -4.226 -3.885 1.00 0.00 H new ATOM 711 N CYS A 53 -3.367 -6.281 -1.144 1.00 0.00 N ATOM 712 CA CYS A 53 -2.044 -6.814 -1.445 1.00 0.00 C ATOM 713 C CYS A 53 -2.001 -8.325 -1.252 1.00 0.00 C ATOM 714 O CYS A 53 -1.215 -9.012 -1.898 1.00 0.00 O ATOM 715 CB CYS A 53 -0.989 -6.151 -0.558 1.00 0.00 C ATOM 716 SG CYS A 53 -0.961 -4.332 -0.663 1.00 0.00 S ATOM 0 H CYS A 53 -3.455 -5.871 -0.214 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.827 -6.594 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.167 -6.441 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.006 -6.535 -0.833 1.00 0.00 H new ATOM 721 N ALA A 54 -2.861 -8.839 -0.379 1.00 0.00 N ATOM 722 CA ALA A 54 -2.905 -10.266 -0.097 1.00 0.00 C ATOM 723 C ALA A 54 -3.617 -11.003 -1.218 1.00 0.00 C ATOM 724 O ALA A 54 -3.464 -12.212 -1.390 1.00 0.00 O ATOM 725 CB ALA A 54 -3.597 -10.516 1.231 1.00 0.00 C ATOM 0 H ALA A 54 -3.538 -8.285 0.146 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.884 -10.643 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.624 -11.587 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.049 -10.012 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.615 -10.129 1.189 1.00 0.00 H new ATOM 731 N ALA A 55 -4.397 -10.247 -1.974 1.00 0.00 N ATOM 732 CA ALA A 55 -5.159 -10.778 -3.086 1.00 0.00 C ATOM 733 C ALA A 55 -4.257 -11.370 -4.163 1.00 0.00 C ATOM 734 O ALA A 55 -4.598 -12.373 -4.790 1.00 0.00 O ATOM 735 CB ALA A 55 -6.013 -9.674 -3.667 1.00 0.00 C ATOM 0 H ALA A 55 -4.518 -9.244 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.790 -11.587 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.591 -10.064 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.692 -9.298 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.373 -8.863 -4.014 1.00 0.00 H new ATOM 741 N ILE A 56 -3.105 -10.742 -4.372 1.00 0.00 N ATOM 742 CA ILE A 56 -2.163 -11.197 -5.391 1.00 0.00 C ATOM 743 C ILE A 56 -0.905 -11.827 -4.791 1.00 0.00 C ATOM 744 O ILE A 56 0.071 -12.068 -5.502 1.00 0.00 O ATOM 745 CB ILE A 56 -1.763 -10.043 -6.330 1.00 0.00 C ATOM 746 CG1 ILE A 56 -1.571 -8.747 -5.534 1.00 0.00 C ATOM 747 CG2 ILE A 56 -2.818 -9.859 -7.413 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.181 -7.557 -6.386 1.00 0.00 C ATOM 0 H ILE A 56 -2.801 -9.919 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.682 -11.967 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.816 -10.292 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.496 -8.516 -5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.803 -8.907 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.525 -9.041 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.908 -10.777 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.777 -9.627 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.064 -6.678 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.240 -7.766 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.959 -7.369 -7.126 1.00 0.00 H new ATOM 760 N GLY A 57 -0.925 -12.094 -3.487 1.00 0.00 N ATOM 761 CA GLY A 57 0.224 -12.717 -2.842 1.00 0.00 C ATOM 762 C GLY A 57 1.299 -11.722 -2.431 1.00 0.00 C ATOM 763 O GLY A 57 2.489 -11.986 -2.603 1.00 0.00 O ATOM 0 H GLY A 57 -1.710 -11.893 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.114 -13.260 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.659 -13.451 -3.521 1.00 0.00 H new ATOM 767 N GLN A 58 0.885 -10.579 -1.891 1.00 0.00 N ATOM 768 CA GLN A 58 1.828 -9.554 -1.450 1.00 0.00 C ATOM 769 C GLN A 58 1.360 -8.908 -0.146 1.00 0.00 C ATOM 770 O GLN A 58 0.296 -9.244 0.374 1.00 0.00 O ATOM 771 CB GLN A 58 2.003 -8.490 -2.537 1.00 0.00 C ATOM 772 CG GLN A 58 3.072 -8.844 -3.565 1.00 0.00 C ATOM 773 CD GLN A 58 3.016 -7.976 -4.811 1.00 0.00 C ATOM 774 OE1 GLN A 58 2.504 -6.758 -4.670 1.00 0.00 O flip ATOM 775 NE2 GLN A 58 3.420 -8.402 -5.892 1.00 0.00 N flip ATOM 0 H GLN A 58 -0.096 -10.339 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 58 2.790 -10.032 -1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.052 -8.344 -3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.261 -7.541 -2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.055 -8.745 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.958 -9.889 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.806 -9.344 -5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.369 -7.813 -6.723 1.00 0.00 H new ATOM 784 N ARG A 59 2.162 -7.983 0.382 1.00 0.00 N ATOM 785 CA ARG A 59 1.825 -7.302 1.634 1.00 0.00 C ATOM 786 C ARG A 59 1.643 -5.801 1.406 1.00 0.00 C ATOM 787 O ARG A 59 2.075 -5.263 0.387 1.00 0.00 O ATOM 788 CB ARG A 59 2.920 -7.540 2.683 1.00 0.00 C ATOM 789 CG ARG A 59 3.563 -8.923 2.619 1.00 0.00 C ATOM 790 CD ARG A 59 4.620 -9.091 3.698 1.00 0.00 C ATOM 791 NE ARG A 59 4.056 -8.966 5.039 1.00 0.00 N ATOM 792 CZ ARG A 59 4.673 -8.356 6.047 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.867 -7.806 5.865 1.00 0.00 N ATOM 794 NH2 ARG A 59 4.094 -8.291 7.238 1.00 0.00 N ATOM 0 H ARG A 59 3.045 -7.689 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 59 0.885 -7.714 2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.696 -6.785 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.493 -7.397 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.796 -9.689 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.015 -9.071 1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.093 -10.067 3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.400 -8.342 3.561 1.00 0.00 H new ATOM 0 HE ARG A 59 3.136 -9.370 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.315 -7.850 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.337 -7.339 6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.175 -8.709 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.568 -7.823 8.011 1.00 0.00 H new ATOM 808 N ALA A 60 1.002 -5.131 2.365 1.00 0.00 N ATOM 809 CA ALA A 60 0.754 -3.697 2.267 1.00 0.00 C ATOM 810 C ALA A 60 1.936 -2.882 2.785 1.00 0.00 C ATOM 811 O ALA A 60 2.300 -2.976 3.958 1.00 0.00 O ATOM 812 CB ALA A 60 -0.510 -3.340 3.037 1.00 0.00 C ATOM 0 H ALA A 60 0.646 -5.562 3.218 1.00 0.00 H new ATOM 0 HA ALA A 60 0.622 -3.449 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.692 -2.268 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.357 -3.882 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.387 -3.614 4.085 1.00 0.00 H new ATOM 818 N ARG A 61 2.533 -2.079 1.905 1.00 0.00 N ATOM 819 CA ARG A 61 3.663 -1.235 2.279 1.00 0.00 C ATOM 820 C ARG A 61 3.644 0.062 1.470 1.00 0.00 C ATOM 821 O ARG A 61 3.593 0.045 0.240 1.00 0.00 O ATOM 822 CB ARG A 61 4.996 -1.984 2.105 1.00 0.00 C ATOM 823 CG ARG A 61 5.419 -2.199 0.661 1.00 0.00 C ATOM 824 CD ARG A 61 6.724 -2.975 0.574 1.00 0.00 C ATOM 825 NE ARG A 61 7.769 -2.388 1.410 1.00 0.00 N ATOM 826 CZ ARG A 61 8.946 -2.966 1.633 1.00 0.00 C ATOM 827 NH1 ARG A 61 9.229 -4.141 1.085 1.00 0.00 N ATOM 828 NH2 ARG A 61 9.843 -2.371 2.408 1.00 0.00 N ATOM 0 H ARG A 61 2.251 -1.996 0.928 1.00 0.00 H new ATOM 0 HA ARG A 61 3.570 -0.980 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.780 -1.428 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.919 -2.954 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.637 -2.739 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.534 -1.234 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.553 -4.007 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.061 -3.001 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 61 7.586 -1.485 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.543 -4.605 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.133 -4.580 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.631 -1.469 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.745 -2.816 2.578 1.00 0.00 H new ATOM 842 N CYS A 62 3.675 1.187 2.179 1.00 0.00 N ATOM 843 CA CYS A 62 3.639 2.504 1.553 1.00 0.00 C ATOM 844 C CYS A 62 5.050 2.943 1.162 1.00 0.00 C ATOM 845 O CYS A 62 5.853 3.288 2.026 1.00 0.00 O ATOM 846 CB CYS A 62 3.019 3.512 2.540 1.00 0.00 C ATOM 847 SG CYS A 62 1.564 2.875 3.435 1.00 0.00 S ATOM 0 H CYS A 62 3.725 1.211 3.197 1.00 0.00 H new ATOM 0 HA CYS A 62 3.033 2.461 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.777 3.809 3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.732 4.410 1.993 1.00 0.00 H new ATOM 852 N CYS A 63 5.364 2.914 -0.139 1.00 0.00 N ATOM 853 CA CYS A 63 6.699 3.308 -0.594 1.00 0.00 C ATOM 854 C CYS A 63 6.728 4.749 -1.092 1.00 0.00 C ATOM 855 O CYS A 63 5.782 5.227 -1.719 1.00 0.00 O ATOM 856 CB CYS A 63 7.207 2.365 -1.690 1.00 0.00 C ATOM 857 SG CYS A 63 7.693 0.713 -1.088 1.00 0.00 S ATOM 0 H CYS A 63 4.725 2.628 -0.881 1.00 0.00 H new ATOM 0 HA CYS A 63 7.361 3.236 0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.429 2.250 -2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.063 2.826 -2.183 1.00 0.00 H new ATOM 862 N VAL A 64 7.832 5.432 -0.799 1.00 0.00 N ATOM 863 CA VAL A 64 8.023 6.821 -1.204 1.00 0.00 C ATOM 864 C VAL A 64 8.774 6.891 -2.532 1.00 0.00 C ATOM 865 O VAL A 64 9.655 6.075 -2.802 1.00 0.00 O ATOM 866 CB VAL A 64 8.769 7.633 -0.106 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.687 6.748 0.705 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.565 8.784 -0.688 1.00 0.00 C ATOM 0 H VAL A 64 8.615 5.040 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 64 7.039 7.271 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 64 7.998 8.044 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.193 7.346 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.103 5.966 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.428 6.293 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.068 9.322 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.307 8.397 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.893 9.463 -1.213 1.00 0.00 H new ATOM 878 N LEU A 65 8.409 7.872 -3.354 1.00 0.00 N ATOM 879 CA LEU A 65 9.023 8.051 -4.669 1.00 0.00 C ATOM 880 C LEU A 65 10.551 8.031 -4.583 1.00 0.00 C ATOM 881 O LEU A 65 11.135 8.634 -3.682 1.00 0.00 O ATOM 882 CB LEU A 65 8.555 9.364 -5.297 1.00 0.00 C ATOM 883 CG LEU A 65 7.286 9.259 -6.146 1.00 0.00 C ATOM 884 CD1 LEU A 65 6.697 10.636 -6.391 1.00 0.00 C ATOM 885 CD2 LEU A 65 7.581 8.564 -7.470 1.00 0.00 C ATOM 0 H LEU A 65 7.688 8.558 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 65 8.709 7.217 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.383 10.089 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.359 9.759 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 65 6.556 8.661 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.795 10.544 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.448 11.100 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.425 11.255 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.666 8.499 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.328 9.134 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.960 7.560 -7.278 1.00 0.00 H new ATOM 897 N PRO A 66 11.221 7.336 -5.528 1.00 0.00 N ATOM 898 CA PRO A 66 12.687 7.237 -5.551 1.00 0.00 C ATOM 899 C PRO A 66 13.364 8.594 -5.712 1.00 0.00 C ATOM 900 O PRO A 66 12.925 9.427 -6.506 1.00 0.00 O ATOM 901 CB PRO A 66 12.977 6.358 -6.774 1.00 0.00 C ATOM 902 CG PRO A 66 11.699 5.642 -7.048 1.00 0.00 C ATOM 903 CD PRO A 66 10.609 6.590 -6.644 1.00 0.00 C ATOM 0 HA PRO A 66 13.072 6.832 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.283 6.961 -7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.787 5.657 -6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.617 5.377 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.641 4.713 -6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.323 7.250 -7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.709 6.061 -6.331 1.00 0.00 H new ATOM 911 N ILE A 67 14.437 8.802 -4.957 1.00 0.00 N ATOM 912 CA ILE A 67 15.188 10.050 -5.013 1.00 0.00 C ATOM 913 C ILE A 67 16.680 9.766 -5.177 1.00 0.00 C ATOM 914 O ILE A 67 17.338 9.299 -4.247 1.00 0.00 O ATOM 915 CB ILE A 67 14.965 10.903 -3.748 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.476 11.209 -3.551 1.00 0.00 C ATOM 917 CG2 ILE A 67 15.773 12.191 -3.821 1.00 0.00 C ATOM 918 CD1 ILE A 67 12.851 11.970 -4.700 1.00 0.00 C ATOM 0 H ILE A 67 14.807 8.119 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 67 14.825 10.610 -5.874 1.00 0.00 H new ATOM 0 HB ILE A 67 15.309 10.330 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.937 10.272 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.352 11.786 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.602 12.779 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.833 11.951 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.463 12.766 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.797 12.149 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.363 12.924 -4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.942 11.386 -5.616 1.00 0.00 H new ATOM 930 N LEU A 68 17.200 10.045 -6.369 1.00 0.00 N ATOM 931 CA LEU A 68 18.613 9.816 -6.667 1.00 0.00 C ATOM 932 C LEU A 68 19.509 10.439 -5.598 1.00 0.00 C ATOM 933 O LEU A 68 19.620 11.662 -5.506 1.00 0.00 O ATOM 934 CB LEU A 68 18.966 10.402 -8.044 1.00 0.00 C ATOM 935 CG LEU A 68 18.557 9.573 -9.272 1.00 0.00 C ATOM 936 CD1 LEU A 68 19.655 8.590 -9.649 1.00 0.00 C ATOM 937 CD2 LEU A 68 17.254 8.836 -9.022 1.00 0.00 C ATOM 0 H LEU A 68 16.664 10.431 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 68 18.784 8.740 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.500 11.384 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.044 10.557 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 68 18.407 10.261 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.344 8.014 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 20.568 9.137 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 68 19.840 7.914 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.988 8.257 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.373 8.165 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.464 9.556 -8.808 1.00 0.00 H new ATOM 949 N GLY A 69 20.145 9.591 -4.790 1.00 0.00 N ATOM 950 CA GLY A 69 21.027 10.083 -3.743 1.00 0.00 C ATOM 951 C GLY A 69 20.727 9.471 -2.386 1.00 0.00 C ATOM 952 O GLY A 69 21.528 9.585 -1.458 1.00 0.00 O ATOM 0 H GLY A 69 20.065 8.575 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.061 9.867 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.935 11.167 -3.676 1.00 0.00 H new ATOM 956 N GLN A 70 19.572 8.820 -2.269 1.00 0.00 N ATOM 957 CA GLN A 70 19.168 8.195 -1.015 1.00 0.00 C ATOM 958 C GLN A 70 18.613 6.801 -1.251 1.00 0.00 C ATOM 959 O GLN A 70 18.346 6.399 -2.384 1.00 0.00 O ATOM 960 CB GLN A 70 18.112 9.050 -0.311 1.00 0.00 C ATOM 961 CG GLN A 70 16.761 9.032 -1.010 1.00 0.00 C ATOM 962 CD GLN A 70 15.797 10.072 -0.465 1.00 0.00 C ATOM 963 OE1 GLN A 70 16.326 11.218 -0.054 1.00 0.00 O flip ATOM 964 NE2 GLN A 70 14.587 9.849 -0.425 1.00 0.00 N flip ATOM 0 H GLN A 70 18.900 8.712 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 70 20.053 8.116 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.989 8.694 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.468 10.078 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.907 9.204 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.317 8.042 -0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.222 8.954 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.949 10.559 -0.066 1.00 0.00 H new ATOM 973 N ASP A 71 18.447 6.077 -0.159 1.00 0.00 N ATOM 974 CA ASP A 71 17.918 4.719 -0.203 1.00 0.00 C ATOM 975 C ASP A 71 16.395 4.747 -0.298 1.00 0.00 C ATOM 976 O ASP A 71 15.777 5.800 -0.141 1.00 0.00 O ATOM 977 CB ASP A 71 18.358 3.944 1.043 1.00 0.00 C ATOM 978 CG ASP A 71 17.940 2.487 1.003 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.659 1.680 0.376 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.894 2.152 1.598 1.00 0.00 O ATOM 0 H ASP A 71 18.672 6.408 0.779 1.00 0.00 H new ATOM 0 HA ASP A 71 18.312 4.217 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.442 4.004 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.932 4.416 1.929 1.00 0.00 H new ATOM 985 N ILE A 72 15.796 3.591 -0.566 1.00 0.00 N ATOM 986 CA ILE A 72 14.346 3.490 -0.680 1.00 0.00 C ATOM 987 C ILE A 72 13.700 3.320 0.700 1.00 0.00 C ATOM 988 O ILE A 72 14.147 2.507 1.510 1.00 0.00 O ATOM 989 CB ILE A 72 13.936 2.319 -1.607 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.448 2.409 -1.950 1.00 0.00 C ATOM 991 CG2 ILE A 72 14.252 0.976 -0.962 1.00 0.00 C ATOM 992 CD1 ILE A 72 12.025 1.474 -3.061 1.00 0.00 C ATOM 0 H ILE A 72 16.293 2.711 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 72 13.987 4.419 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 72 14.514 2.396 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.864 2.186 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.212 3.433 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.954 0.171 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.322 0.909 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.706 0.886 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.958 1.593 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.582 1.710 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.229 0.444 -2.768 1.00 0.00 H new ATOM 1004 N LEU A 73 12.655 4.107 0.970 1.00 0.00 N ATOM 1005 CA LEU A 73 11.957 4.051 2.243 1.00 0.00 C ATOM 1006 C LEU A 73 10.562 3.444 2.067 1.00 0.00 C ATOM 1007 O LEU A 73 9.819 3.825 1.164 1.00 0.00 O ATOM 1008 CB LEU A 73 11.849 5.464 2.843 1.00 0.00 C ATOM 1009 CG LEU A 73 13.157 6.073 3.375 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.812 5.161 4.403 1.00 0.00 C ATOM 1011 CD2 LEU A 73 14.122 6.367 2.235 1.00 0.00 C ATOM 0 H LEU A 73 12.277 4.792 0.315 1.00 0.00 H new ATOM 0 HA LEU A 73 12.524 3.416 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.445 6.131 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.126 5.437 3.659 1.00 0.00 H new ATOM 0 HG LEU A 73 12.907 7.013 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.734 5.619 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.132 5.011 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.039 4.199 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.039 6.797 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.355 5.442 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.663 7.073 1.543 1.00 0.00 H new ATOM 1023 N CYS A 74 10.220 2.491 2.929 1.00 0.00 N ATOM 1024 CA CYS A 74 8.901 1.836 2.875 1.00 0.00 C ATOM 1025 C CYS A 74 8.559 1.163 4.205 1.00 0.00 C ATOM 1026 O CYS A 74 9.397 0.480 4.797 1.00 0.00 O ATOM 1027 CB CYS A 74 8.828 0.798 1.738 1.00 0.00 C ATOM 1028 SG CYS A 74 7.217 0.749 0.887 1.00 0.00 S ATOM 0 H CYS A 74 10.829 2.151 3.673 1.00 0.00 H new ATOM 0 HA CYS A 74 8.170 2.620 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.607 1.017 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 74 9.043 -0.190 2.146 1.00 0.00 H new ATOM 1033 N GLN A 75 7.318 1.351 4.665 1.00 0.00 N ATOM 1034 CA GLN A 75 6.857 0.763 5.928 1.00 0.00 C ATOM 1035 C GLN A 75 5.343 0.552 5.903 1.00 0.00 C ATOM 1036 O GLN A 75 4.640 1.127 5.072 1.00 0.00 O ATOM 1037 CB GLN A 75 7.228 1.648 7.131 1.00 0.00 C ATOM 1038 CG GLN A 75 8.726 1.905 7.290 1.00 0.00 C ATOM 1039 CD GLN A 75 9.057 2.643 8.573 1.00 0.00 C ATOM 1040 OE1 GLN A 75 8.260 2.414 9.613 1.00 0.00 O flip ATOM 1041 NE2 GLN A 75 10.020 3.407 8.632 1.00 0.00 N flip ATOM 0 H GLN A 75 6.613 1.907 4.181 1.00 0.00 H new ATOM 0 HA GLN A 75 7.357 -0.199 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.716 2.605 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.854 1.178 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.258 0.954 7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.084 2.484 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.606 3.554 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.233 3.893 9.503 1.00 0.00 H new ATOM 1050 N THR A 76 4.851 -0.276 6.820 1.00 0.00 N ATOM 1051 CA THR A 76 3.426 -0.565 6.915 1.00 0.00 C ATOM 1052 C THR A 76 2.764 0.323 7.973 1.00 0.00 C ATOM 1053 O THR A 76 3.340 0.552 9.037 1.00 0.00 O ATOM 1054 CB THR A 76 3.199 -2.047 7.266 1.00 0.00 C ATOM 1055 OG1 THR A 76 3.863 -2.882 6.309 1.00 0.00 O ATOM 1056 CG2 THR A 76 1.719 -2.388 7.292 1.00 0.00 C ATOM 0 H THR A 76 5.423 -0.761 7.511 1.00 0.00 H new ATOM 0 HA THR A 76 2.974 -0.356 5.946 1.00 0.00 H new ATOM 0 HB THR A 76 3.610 -2.223 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.331 -2.925 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.593 -3.441 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.217 -1.774 8.040 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.284 -2.194 6.312 1.00 0.00 H new ATOM 1064 N PRO A 77 1.545 0.839 7.702 1.00 0.00 N ATOM 1065 CA PRO A 77 0.838 1.714 8.643 1.00 0.00 C ATOM 1066 C PRO A 77 0.231 0.960 9.823 1.00 0.00 C ATOM 1067 O PRO A 77 -0.538 0.016 9.643 1.00 0.00 O ATOM 1068 CB PRO A 77 -0.262 2.338 7.786 1.00 0.00 C ATOM 1069 CG PRO A 77 -0.535 1.334 6.721 1.00 0.00 C ATOM 1070 CD PRO A 77 0.764 0.617 6.467 1.00 0.00 C ATOM 0 HA PRO A 77 1.513 2.438 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.156 2.540 8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.060 3.288 7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.309 0.634 7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.894 1.819 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.604 -0.445 6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.277 1.019 5.593 1.00 0.00 H new ATOM 1078 N ALA A 78 0.585 1.394 11.032 1.00 0.00 N ATOM 1079 CA ALA A 78 0.078 0.783 12.258 1.00 0.00 C ATOM 1080 C ALA A 78 0.391 -0.708 12.319 1.00 0.00 C ATOM 1081 O ALA A 78 -0.294 -1.465 13.008 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.421 1.014 12.382 1.00 0.00 C ATOM 0 H ALA A 78 1.226 2.172 11.188 1.00 0.00 H new ATOM 0 HA ALA A 78 0.584 1.260 13.097 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.785 0.553 13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.623 2.085 12.408 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.930 0.570 11.526 1.00 0.00 H new ATOM 1088 N GLY A 79 1.425 -1.129 11.597 1.00 0.00 N ATOM 1089 CA GLY A 79 1.800 -2.527 11.590 1.00 0.00 C ATOM 1090 C GLY A 79 0.709 -3.392 11.000 1.00 0.00 C ATOM 1091 O GLY A 79 0.506 -4.532 11.418 1.00 0.00 O ATOM 0 H GLY A 79 2.008 -0.525 11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.718 -2.655 11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.013 -2.853 12.608 1.00 0.00 H new ATOM 1095 N LEU A 80 0.006 -2.832 10.025 1.00 0.00 N ATOM 1096 CA LEU A 80 -1.084 -3.520 9.356 1.00 0.00 C ATOM 1097 C LEU A 80 -0.597 -4.798 8.672 1.00 0.00 C ATOM 1098 O LEU A 80 -0.160 -4.719 7.505 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.707 -2.567 8.348 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.684 -3.181 7.365 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -4.077 -3.254 7.966 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -2.675 -2.360 6.101 1.00 0.00 C ATOM 1103 OXT LEU A 80 -0.659 -5.868 9.313 1.00 0.00 O ATOM 0 H LEU A 80 0.177 -1.888 9.677 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.831 -3.820 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.222 -1.777 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.905 -2.093 7.783 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.382 -4.202 7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.762 -3.698 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.053 -3.867 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.417 -2.250 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.374 -2.790 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.973 -1.337 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.672 -2.359 5.675 1.00 0.00 H new TER 1115 LEU A 80