USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 62 GLN : amide:sc= 0 K(o=-0.44,f=-1.8) USER MOD Set 1.2: A 65 SER OG : rot -140:sc= -0.437 USER MOD Set 2.1: A 7 THR OG1 : rot 143:sc= 1.31 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.512 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 25 ASN : amide:sc= -0.0257 K(o=-0.026,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.648 K(o=-0.65,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.31 K(o=-0.31,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -0.0822 K(o=-0.082,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc=-0.00181 F(o=-0.75,f=-0.0018) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000114 USER MOD Single : A 57 SER OG : rot -98:sc= 0.199 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.15 F(o=-1.6!,f=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.171 F(o=-0.93,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.303 -8.578 -2.328 1.00 0.00 N ATOM 19 CA GLN A 2 7.887 -8.265 -2.402 1.00 0.00 C ATOM 20 C GLN A 2 7.430 -7.700 -1.065 1.00 0.00 C ATOM 21 O GLN A 2 8.212 -7.630 -0.119 1.00 0.00 O ATOM 22 CB GLN A 2 7.104 -9.530 -2.758 1.00 0.00 C ATOM 23 CG GLN A 2 7.346 -9.887 -4.224 1.00 0.00 C ATOM 24 CD GLN A 2 6.536 -11.109 -4.637 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.298 -12.005 -3.829 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.127 -11.155 -5.906 1.00 0.00 N ATOM 0 HA GLN A 2 7.706 -7.519 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.414 -10.355 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.040 -9.373 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.078 -9.040 -4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.407 -10.080 -4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.348 -10.388 -6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.593 -11.957 -6.241 1.00 0.00 H new ATOM 35 N ILE A 3 6.163 -7.288 -0.992 1.00 0.00 N ATOM 36 CA ILE A 3 5.594 -6.736 0.223 1.00 0.00 C ATOM 37 C ILE A 3 4.167 -7.245 0.378 1.00 0.00 C ATOM 38 O ILE A 3 3.655 -7.938 -0.499 1.00 0.00 O ATOM 39 CB ILE A 3 5.643 -5.206 0.170 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.831 -4.695 -1.023 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.096 -4.749 0.046 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.806 -3.167 -1.040 1.00 0.00 C ATOM 0 H ILE A 3 5.510 -7.330 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 3 6.171 -7.056 1.090 1.00 0.00 H new ATOM 0 HB ILE A 3 5.212 -4.800 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.264 -5.068 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.813 -5.080 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.133 -3.660 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.663 -5.102 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.530 -5.159 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.224 -2.822 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.351 -2.800 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.825 -2.787 -1.117 1.00 0.00 H new ATOM 54 N PHE A 4 3.521 -6.901 1.494 1.00 0.00 N ATOM 55 CA PHE A 4 2.180 -7.373 1.777 1.00 0.00 C ATOM 56 C PHE A 4 1.304 -6.222 2.249 1.00 0.00 C ATOM 57 O PHE A 4 1.567 -5.622 3.289 1.00 0.00 O ATOM 58 CB PHE A 4 2.246 -8.475 2.832 1.00 0.00 C ATOM 59 CG PHE A 4 2.890 -9.746 2.330 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.093 -10.782 1.826 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.284 -9.886 2.360 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.688 -11.960 1.358 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.879 -11.062 1.887 1.00 0.00 C ATOM 64 CZ PHE A 4 4.081 -12.099 1.388 1.00 0.00 C ATOM 0 H PHE A 4 3.914 -6.295 2.214 1.00 0.00 H new ATOM 0 HA PHE A 4 1.737 -7.780 0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.804 -8.110 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.237 -8.699 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.019 -10.672 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.899 -9.087 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.073 -12.761 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.953 -11.169 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.540 -13.007 1.026 1.00 0.00 H new ATOM 74 N VAL A 5 0.278 -5.895 1.460 1.00 0.00 N ATOM 75 CA VAL A 5 -0.692 -4.880 1.824 1.00 0.00 C ATOM 76 C VAL A 5 -1.993 -5.579 2.185 1.00 0.00 C ATOM 77 O VAL A 5 -2.580 -6.259 1.347 1.00 0.00 O ATOM 78 CB VAL A 5 -0.899 -3.918 0.652 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.920 -2.848 1.038 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.423 -3.245 0.291 1.00 0.00 C ATOM 0 H VAL A 5 0.103 -6.330 0.554 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.340 -4.299 2.676 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.265 -4.481 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.065 -2.165 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.869 -3.323 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.555 -2.292 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.267 -2.562 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.795 -2.688 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.152 -4.004 0.008 1.00 0.00 H new ATOM 90 N LYS A 6 -2.420 -5.460 3.443 1.00 0.00 N ATOM 91 CA LYS A 6 -3.623 -6.132 3.891 1.00 0.00 C ATOM 92 C LYS A 6 -4.757 -5.124 3.998 1.00 0.00 C ATOM 93 O LYS A 6 -4.656 -4.148 4.739 1.00 0.00 O ATOM 94 CB LYS A 6 -3.359 -6.814 5.232 1.00 0.00 C ATOM 95 CG LYS A 6 -4.548 -7.702 5.595 1.00 0.00 C ATOM 96 CD LYS A 6 -4.270 -8.426 6.911 1.00 0.00 C ATOM 97 CE LYS A 6 -5.406 -9.404 7.200 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.196 -10.101 8.479 1.00 0.00 N ATOM 0 H LYS A 6 -1.949 -4.907 4.159 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.913 -6.898 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.449 -7.412 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.201 -6.065 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.451 -7.098 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.728 -8.427 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.322 -8.960 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.180 -7.705 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.354 -8.867 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.476 -10.133 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.983 -10.759 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.303 -10.632 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.153 -9.405 9.251 1.00 0.00 H new ATOM 112 N THR A 7 -5.813 -5.336 3.209 1.00 0.00 N ATOM 113 CA THR A 7 -6.954 -4.442 3.177 1.00 0.00 C ATOM 114 C THR A 7 -7.638 -4.420 4.537 1.00 0.00 C ATOM 115 O THR A 7 -7.378 -5.275 5.382 1.00 0.00 O ATOM 116 CB THR A 7 -7.928 -4.921 2.103 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.336 -6.235 2.404 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.250 -4.907 0.737 1.00 0.00 C ATOM 0 H THR A 7 -5.893 -6.134 2.578 1.00 0.00 H new ATOM 0 HA THR A 7 -6.622 -3.430 2.943 1.00 0.00 H new ATOM 0 HB THR A 7 -8.792 -4.256 2.080 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.280 -6.348 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.953 -5.250 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.928 -3.893 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.383 -5.568 0.754 1.00 0.00 H new ATOM 126 N ALA A 8 -8.559 -3.472 4.725 1.00 0.00 N ATOM 127 CA ALA A 8 -9.327 -3.391 5.951 1.00 0.00 C ATOM 128 C ALA A 8 -10.385 -4.490 5.965 1.00 0.00 C ATOM 129 O ALA A 8 -10.992 -4.753 7.001 1.00 0.00 O ATOM 130 CB ALA A 8 -9.982 -2.016 6.047 1.00 0.00 C ATOM 0 H ALA A 8 -8.785 -2.753 4.038 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.670 -3.529 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.561 -1.952 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.211 -1.245 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.643 -1.867 5.193 1.00 0.00 H new ATOM 136 N THR A 9 -10.596 -5.143 4.818 1.00 0.00 N ATOM 137 CA THR A 9 -11.535 -6.245 4.730 1.00 0.00 C ATOM 138 C THR A 9 -10.868 -7.522 5.233 1.00 0.00 C ATOM 139 O THR A 9 -11.539 -8.529 5.445 1.00 0.00 O ATOM 140 CB THR A 9 -12.012 -6.407 3.285 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.909 -6.635 2.438 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.736 -5.137 2.841 1.00 0.00 C ATOM 0 H THR A 9 -10.124 -4.921 3.941 1.00 0.00 H new ATOM 0 HA THR A 9 -12.405 -6.039 5.354 1.00 0.00 H new ATOM 0 HB THR A 9 -12.692 -7.257 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.221 -6.739 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.076 -5.253 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.595 -4.962 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.055 -4.289 2.905 1.00 0.00 H new ATOM 150 N GLY A 10 -9.558 -7.454 5.491 1.00 0.00 N ATOM 151 CA GLY A 10 -8.819 -8.564 6.060 1.00 0.00 C ATOM 152 C GLY A 10 -8.148 -9.407 4.979 1.00 0.00 C ATOM 153 O GLY A 10 -7.524 -10.418 5.293 1.00 0.00 O ATOM 0 H GLY A 10 -8.990 -6.627 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.063 -8.184 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.494 -9.190 6.643 1.00 0.00 H new ATOM 157 N LYS A 11 -8.304 -9.028 3.708 1.00 0.00 N ATOM 158 CA LYS A 11 -7.715 -9.788 2.618 1.00 0.00 C ATOM 159 C LYS A 11 -6.266 -9.367 2.397 1.00 0.00 C ATOM 160 O LYS A 11 -5.967 -8.181 2.277 1.00 0.00 O ATOM 161 CB LYS A 11 -8.539 -9.592 1.347 1.00 0.00 C ATOM 162 CG LYS A 11 -9.909 -10.243 1.530 1.00 0.00 C ATOM 163 CD LYS A 11 -10.681 -10.217 0.213 1.00 0.00 C ATOM 164 CE LYS A 11 -11.994 -10.979 0.381 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.740 -11.035 -0.886 1.00 0.00 N ATOM 0 H LYS A 11 -8.830 -8.205 3.416 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.721 -10.847 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.654 -8.529 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.024 -10.034 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.789 -11.272 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.471 -9.716 2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.880 -9.187 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.085 -10.668 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.789 -11.991 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.604 -10.495 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.628 -11.558 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.955 -10.069 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.165 -11.518 -1.606 1.00 0.00 H new ATOM 179 N THR A 12 -5.372 -10.357 2.328 1.00 0.00 N ATOM 180 CA THR A 12 -3.955 -10.136 2.106 1.00 0.00 C ATOM 181 C THR A 12 -3.682 -9.993 0.611 1.00 0.00 C ATOM 182 O THR A 12 -4.219 -10.753 -0.192 1.00 0.00 O ATOM 183 CB THR A 12 -3.191 -11.330 2.679 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.664 -11.601 3.980 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.694 -11.040 2.733 1.00 0.00 C ATOM 0 H THR A 12 -5.622 -11.341 2.427 1.00 0.00 H new ATOM 0 HA THR A 12 -3.630 -9.220 2.599 1.00 0.00 H new ATOM 0 HB THR A 12 -3.353 -12.193 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.179 -12.367 4.352 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.171 -11.903 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.326 -10.838 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.514 -10.171 3.367 1.00 0.00 H new ATOM 193 N ILE A 13 -2.839 -9.025 0.241 1.00 0.00 N ATOM 194 CA ILE A 13 -2.469 -8.800 -1.146 1.00 0.00 C ATOM 195 C ILE A 13 -0.952 -8.693 -1.275 1.00 0.00 C ATOM 196 O ILE A 13 -0.356 -7.721 -0.816 1.00 0.00 O ATOM 197 CB ILE A 13 -3.155 -7.536 -1.673 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.662 -7.608 -1.405 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.894 -7.412 -3.175 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.350 -6.328 -1.879 1.00 0.00 C ATOM 0 H ILE A 13 -2.399 -8.381 0.898 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.802 -9.646 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.752 -6.662 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.088 -8.469 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.842 -7.752 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.380 -6.514 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.821 -7.347 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.295 -8.287 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.420 -6.395 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.935 -5.473 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.186 -6.202 -2.949 1.00 0.00 H new ATOM 212 N THR A 14 -0.328 -9.707 -1.881 1.00 0.00 N ATOM 213 CA THR A 14 1.097 -9.690 -2.157 1.00 0.00 C ATOM 214 C THR A 14 1.372 -8.679 -3.265 1.00 0.00 C ATOM 215 O THR A 14 0.741 -8.736 -4.319 1.00 0.00 O ATOM 216 CB THR A 14 1.551 -11.089 -2.574 1.00 0.00 C ATOM 217 OG1 THR A 14 1.137 -12.028 -1.604 1.00 0.00 O ATOM 218 CG2 THR A 14 3.072 -11.128 -2.700 1.00 0.00 C ATOM 0 H THR A 14 -0.801 -10.556 -2.190 1.00 0.00 H new ATOM 0 HA THR A 14 1.653 -9.399 -1.265 1.00 0.00 H new ATOM 0 HB THR A 14 1.105 -11.336 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.664 -11.908 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.387 -12.128 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.393 -10.408 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.523 -10.876 -1.740 1.00 0.00 H new ATOM 226 N LEU A 15 2.236 -7.695 -2.997 1.00 0.00 N ATOM 227 CA LEU A 15 2.503 -6.643 -3.961 1.00 0.00 C ATOM 228 C LEU A 15 3.987 -6.600 -4.307 1.00 0.00 C ATOM 229 O LEU A 15 4.821 -7.065 -3.533 1.00 0.00 O ATOM 230 CB LEU A 15 2.036 -5.307 -3.386 1.00 0.00 C ATOM 231 CG LEU A 15 1.681 -4.327 -4.504 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.412 -4.787 -5.221 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.445 -2.950 -3.894 1.00 0.00 C ATOM 0 H LEU A 15 2.756 -7.612 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 15 1.955 -6.845 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.168 -5.465 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.820 -4.882 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 15 2.499 -4.285 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.167 -4.082 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.575 -5.776 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.412 -4.832 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.191 -2.242 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.625 -3.005 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.350 -2.617 -3.385 1.00 0.00 H new ATOM 245 N GLU A 16 4.309 -6.036 -5.474 1.00 0.00 N ATOM 246 CA GLU A 16 5.680 -5.918 -5.935 1.00 0.00 C ATOM 247 C GLU A 16 5.894 -4.544 -6.564 1.00 0.00 C ATOM 248 O GLU A 16 5.310 -4.243 -7.603 1.00 0.00 O ATOM 249 CB GLU A 16 5.965 -7.039 -6.933 1.00 0.00 C ATOM 250 CG GLU A 16 7.425 -6.996 -7.378 1.00 0.00 C ATOM 251 CD GLU A 16 7.754 -8.175 -8.287 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.851 -9.021 -8.473 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.900 -8.207 -8.784 1.00 0.00 O ATOM 0 H GLU A 16 3.621 -5.651 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 16 6.372 -6.013 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.745 -8.005 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.311 -6.939 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.621 -6.061 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.076 -7.013 -6.504 1.00 0.00 H new ATOM 260 N VAL A 17 6.692 -3.695 -5.909 1.00 0.00 N ATOM 261 CA VAL A 17 6.967 -2.354 -6.402 1.00 0.00 C ATOM 262 C VAL A 17 8.470 -2.097 -6.418 1.00 0.00 C ATOM 263 O VAL A 17 9.232 -2.818 -5.775 1.00 0.00 O ATOM 264 CB VAL A 17 6.260 -1.328 -5.514 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.751 -1.550 -5.561 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.745 -1.455 -4.070 1.00 0.00 C ATOM 0 H VAL A 17 7.159 -3.921 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 17 6.592 -2.261 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 17 6.493 -0.330 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.255 -0.816 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.399 -1.440 -6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.520 -2.553 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.234 -0.719 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.527 -2.457 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.820 -1.280 -4.030 1.00 0.00 H new ATOM 276 N GLU A 18 8.889 -1.028 -7.102 1.00 0.00 N ATOM 277 CA GLU A 18 10.282 -0.621 -7.101 1.00 0.00 C ATOM 278 C GLU A 18 10.569 0.149 -5.819 1.00 0.00 C ATOM 279 O GLU A 18 9.695 0.846 -5.308 1.00 0.00 O ATOM 280 CB GLU A 18 10.559 0.267 -8.313 1.00 0.00 C ATOM 281 CG GLU A 18 10.470 -0.535 -9.610 1.00 0.00 C ATOM 282 CD GLU A 18 11.054 -1.931 -9.441 1.00 0.00 C ATOM 283 OE1 GLU A 18 12.286 -2.012 -9.246 1.00 0.00 O ATOM 284 OE2 GLU A 18 10.271 -2.896 -9.577 1.00 0.00 O ATOM 0 H GLU A 18 8.277 -0.434 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 18 10.925 -1.500 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.842 1.088 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.550 0.712 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.428 -0.610 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.003 -0.009 -10.402 1.00 0.00 H new ATOM 291 N PRO A 19 11.814 0.091 -5.341 1.00 0.00 N ATOM 292 CA PRO A 19 12.228 0.739 -4.115 1.00 0.00 C ATOM 293 C PRO A 19 12.057 2.255 -4.171 1.00 0.00 C ATOM 294 O PRO A 19 11.931 2.892 -3.129 1.00 0.00 O ATOM 295 CB PRO A 19 13.704 0.380 -3.935 1.00 0.00 C ATOM 296 CG PRO A 19 13.925 -0.850 -4.815 1.00 0.00 C ATOM 297 CD PRO A 19 12.861 -0.734 -5.902 1.00 0.00 C ATOM 0 HA PRO A 19 11.612 0.401 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.350 1.204 -4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.933 0.164 -2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.929 -0.859 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.812 -1.772 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.272 -0.284 -6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.478 -1.716 -6.181 1.00 0.00 H new ATOM 305 N SER A 20 12.059 2.838 -5.376 1.00 0.00 N ATOM 306 CA SER A 20 12.087 4.287 -5.516 1.00 0.00 C ATOM 307 C SER A 20 10.972 4.797 -6.422 1.00 0.00 C ATOM 308 O SER A 20 11.064 5.907 -6.942 1.00 0.00 O ATOM 309 CB SER A 20 13.452 4.713 -6.051 1.00 0.00 C ATOM 310 OG SER A 20 14.461 4.292 -5.159 1.00 0.00 O ATOM 0 H SER A 20 12.042 2.327 -6.259 1.00 0.00 H new ATOM 0 HA SER A 20 11.921 4.729 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.619 4.279 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.486 5.796 -6.170 1.00 0.00 H new ATOM 0 HG SER A 20 15.337 4.564 -5.504 1.00 0.00 H new ATOM 316 N ASP A 21 9.946 3.978 -6.657 1.00 0.00 N ATOM 317 CA ASP A 21 8.825 4.402 -7.481 1.00 0.00 C ATOM 318 C ASP A 21 7.829 5.176 -6.624 1.00 0.00 C ATOM 319 O ASP A 21 6.778 5.587 -7.112 1.00 0.00 O ATOM 320 CB ASP A 21 8.157 3.189 -8.130 1.00 0.00 C ATOM 321 CG ASP A 21 8.812 2.844 -9.463 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.196 2.052 -10.210 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.908 3.386 -9.722 1.00 0.00 O ATOM 0 H ASP A 21 9.872 3.029 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 21 9.186 5.054 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.221 2.333 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.098 3.394 -8.285 1.00 0.00 H new ATOM 328 N THR A 22 8.175 5.386 -5.349 1.00 0.00 N ATOM 329 CA THR A 22 7.384 6.170 -4.415 1.00 0.00 C ATOM 330 C THR A 22 6.190 5.359 -3.920 1.00 0.00 C ATOM 331 O THR A 22 5.729 4.445 -4.600 1.00 0.00 O ATOM 332 CB THR A 22 6.930 7.470 -5.088 1.00 0.00 C ATOM 333 OG1 THR A 22 8.027 8.071 -5.740 1.00 0.00 O ATOM 334 CG2 THR A 22 6.381 8.440 -4.045 1.00 0.00 C ATOM 0 H THR A 22 9.028 5.006 -4.938 1.00 0.00 H new ATOM 0 HA THR A 22 7.995 6.425 -3.549 1.00 0.00 H new ATOM 0 HB THR A 22 6.148 7.236 -5.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.736 8.901 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.062 9.360 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.530 7.985 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.158 8.669 -3.316 1.00 0.00 H new ATOM 342 N ILE A 23 5.659 5.733 -2.752 1.00 0.00 N ATOM 343 CA ILE A 23 4.489 5.085 -2.180 1.00 0.00 C ATOM 344 C ILE A 23 3.347 5.080 -3.192 1.00 0.00 C ATOM 345 O ILE A 23 2.481 4.210 -3.147 1.00 0.00 O ATOM 346 CB ILE A 23 4.074 5.825 -0.905 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.135 5.645 0.184 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.729 5.299 -0.400 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.207 4.194 0.659 1.00 0.00 C ATOM 0 H ILE A 23 6.032 6.493 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 23 4.729 4.052 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 23 3.979 6.885 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.108 5.952 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.905 6.295 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.446 5.834 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.968 5.453 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.813 4.234 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.970 4.102 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.241 3.896 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.462 3.548 -0.181 1.00 0.00 H new ATOM 361 N GLU A 24 3.336 6.064 -4.095 1.00 0.00 N ATOM 362 CA GLU A 24 2.291 6.183 -5.094 1.00 0.00 C ATOM 363 C GLU A 24 2.170 4.890 -5.894 1.00 0.00 C ATOM 364 O GLU A 24 1.071 4.510 -6.294 1.00 0.00 O ATOM 365 CB GLU A 24 2.628 7.352 -6.018 1.00 0.00 C ATOM 366 CG GLU A 24 1.573 7.486 -7.114 1.00 0.00 C ATOM 367 CD GLU A 24 1.950 8.590 -8.091 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.727 9.767 -7.733 1.00 0.00 O ATOM 369 OE2 GLU A 24 2.490 8.241 -9.164 1.00 0.00 O ATOM 0 H GLU A 24 4.049 6.791 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 24 1.334 6.366 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.682 8.276 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.610 7.198 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.473 6.540 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.603 7.704 -6.667 1.00 0.00 H new ATOM 376 N ASN A 25 3.292 4.196 -6.098 1.00 0.00 N ATOM 377 CA ASN A 25 3.307 2.985 -6.895 1.00 0.00 C ATOM 378 C ASN A 25 2.624 1.844 -6.152 1.00 0.00 C ATOM 379 O ASN A 25 2.033 0.965 -6.775 1.00 0.00 O ATOM 380 CB ASN A 25 4.752 2.622 -7.221 1.00 0.00 C ATOM 381 CG ASN A 25 4.816 1.570 -8.318 1.00 0.00 C ATOM 382 OD1 ASN A 25 5.211 0.433 -8.071 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.435 1.954 -9.537 1.00 0.00 N ATOM 0 H ASN A 25 4.201 4.460 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 25 2.758 3.156 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.293 3.514 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.248 2.249 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.464 1.292 -10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.114 2.909 -9.694 1.00 0.00 H new ATOM 390 N VAL A 26 2.671 1.874 -4.817 1.00 0.00 N ATOM 391 CA VAL A 26 2.045 0.844 -4.011 1.00 0.00 C ATOM 392 C VAL A 26 0.533 0.929 -4.172 1.00 0.00 C ATOM 393 O VAL A 26 -0.156 -0.088 -4.140 1.00 0.00 O ATOM 394 CB VAL A 26 2.441 1.038 -2.545 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.808 -0.051 -1.681 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.960 0.970 -2.403 1.00 0.00 C ATOM 0 H VAL A 26 3.138 2.604 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 26 2.379 -0.141 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 26 2.086 2.014 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.096 0.097 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.723 0.001 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.153 -1.029 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.234 1.109 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.314 -0.002 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.417 1.755 -3.005 1.00 0.00 H new ATOM 406 N LYS A 27 0.022 2.143 -4.386 1.00 0.00 N ATOM 407 CA LYS A 27 -1.400 2.352 -4.568 1.00 0.00 C ATOM 408 C LYS A 27 -1.796 2.061 -6.011 1.00 0.00 C ATOM 409 O LYS A 27 -2.930 1.669 -6.274 1.00 0.00 O ATOM 410 CB LYS A 27 -1.749 3.793 -4.195 1.00 0.00 C ATOM 411 CG LYS A 27 -1.408 4.038 -2.724 1.00 0.00 C ATOM 412 CD LYS A 27 -1.856 5.436 -2.300 1.00 0.00 C ATOM 413 CE LYS A 27 -1.084 6.495 -3.083 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.440 7.850 -2.630 1.00 0.00 N ATOM 0 H LYS A 27 0.582 2.994 -4.436 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.953 1.671 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.196 4.487 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.809 3.978 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.896 3.288 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.334 3.931 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.926 5.552 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.691 5.571 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.013 6.336 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.300 6.395 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.902 8.552 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.458 8.007 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.212 7.950 -1.620 1.00 0.00 H new ATOM 428 N ALA A 28 -0.860 2.244 -6.947 1.00 0.00 N ATOM 429 CA ALA A 28 -1.146 2.059 -8.359 1.00 0.00 C ATOM 430 C ALA A 28 -1.197 0.577 -8.715 1.00 0.00 C ATOM 431 O ALA A 28 -2.021 0.167 -9.530 1.00 0.00 O ATOM 432 CB ALA A 28 -0.069 2.758 -9.184 1.00 0.00 C ATOM 0 H ALA A 28 0.101 2.520 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.121 2.493 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.278 2.623 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.063 3.822 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.905 2.329 -8.949 1.00 0.00 H new ATOM 438 N LYS A 29 -0.349 -0.238 -8.082 1.00 0.00 N ATOM 439 CA LYS A 29 -0.309 -1.659 -8.379 1.00 0.00 C ATOM 440 C LYS A 29 -1.536 -2.356 -7.805 1.00 0.00 C ATOM 441 O LYS A 29 -1.891 -3.446 -8.250 1.00 0.00 O ATOM 442 CB LYS A 29 0.964 -2.266 -7.791 1.00 0.00 C ATOM 443 CG LYS A 29 2.196 -1.794 -8.563 1.00 0.00 C ATOM 444 CD LYS A 29 2.221 -2.436 -9.949 1.00 0.00 C ATOM 445 CE LYS A 29 3.507 -2.041 -10.669 1.00 0.00 C ATOM 446 NZ LYS A 29 3.622 -2.736 -11.961 1.00 0.00 N ATOM 0 H LYS A 29 0.312 0.066 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.309 -1.797 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.056 -1.984 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.903 -3.354 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.183 -0.708 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.101 -2.056 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.160 -3.521 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.355 -2.114 -10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.522 -0.963 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.367 -2.282 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.505 -2.451 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.631 -3.764 -11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.812 -2.485 -12.563 1.00 0.00 H new ATOM 460 N ILE A 30 -2.189 -1.734 -6.820 1.00 0.00 N ATOM 461 CA ILE A 30 -3.389 -2.303 -6.236 1.00 0.00 C ATOM 462 C ILE A 30 -4.616 -1.764 -6.960 1.00 0.00 C ATOM 463 O ILE A 30 -5.675 -2.386 -6.926 1.00 0.00 O ATOM 464 CB ILE A 30 -3.441 -1.974 -4.742 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.266 -2.662 -4.044 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.755 -2.482 -4.146 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.155 -2.194 -2.594 1.00 0.00 C ATOM 0 H ILE A 30 -1.903 -0.842 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.375 -3.387 -6.347 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.379 -0.895 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.401 -3.743 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.340 -2.441 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.788 -2.246 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.593 -2.001 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.822 -3.562 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.314 -2.694 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.998 -1.116 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.074 -2.438 -2.062 1.00 0.00 H new ATOM 479 N GLN A 31 -4.466 -0.635 -7.658 1.00 0.00 N ATOM 480 CA GLN A 31 -5.577 -0.044 -8.376 1.00 0.00 C ATOM 481 C GLN A 31 -6.062 -1.006 -9.453 1.00 0.00 C ATOM 482 O GLN A 31 -7.258 -1.091 -9.716 1.00 0.00 O ATOM 483 CB GLN A 31 -5.136 1.280 -8.998 1.00 0.00 C ATOM 484 CG GLN A 31 -6.326 1.933 -9.698 1.00 0.00 C ATOM 485 CD GLN A 31 -5.935 3.255 -10.346 1.00 0.00 C ATOM 486 OE1 GLN A 31 -4.915 3.848 -9.998 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.750 3.720 -11.294 1.00 0.00 N ATOM 0 H GLN A 31 -3.588 -0.121 -7.736 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.399 0.149 -7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.744 1.944 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.330 1.109 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.719 1.257 -10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.126 2.102 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.586 3.195 -11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.538 4.601 -11.762 1.00 0.00 H new ATOM 496 N ASP A 32 -5.133 -1.745 -10.065 1.00 0.00 N ATOM 497 CA ASP A 32 -5.477 -2.713 -11.089 1.00 0.00 C ATOM 498 C ASP A 32 -5.959 -4.013 -10.454 1.00 0.00 C ATOM 499 O ASP A 32 -6.715 -4.761 -11.070 1.00 0.00 O ATOM 500 CB ASP A 32 -4.253 -2.979 -11.962 1.00 0.00 C ATOM 501 CG ASP A 32 -4.577 -3.979 -13.064 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.956 -5.064 -13.048 1.00 0.00 O ATOM 503 OD2 ASP A 32 -5.356 -3.596 -13.965 1.00 0.00 O ATOM 0 H ASP A 32 -4.135 -1.685 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.283 -2.312 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.907 -2.045 -12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.439 -3.361 -11.346 1.00 0.00 H new ATOM 508 N LYS A 33 -5.495 -4.298 -9.234 1.00 0.00 N ATOM 509 CA LYS A 33 -5.779 -5.562 -8.580 1.00 0.00 C ATOM 510 C LYS A 33 -7.152 -5.539 -7.920 1.00 0.00 C ATOM 511 O LYS A 33 -7.995 -6.383 -8.216 1.00 0.00 O ATOM 512 CB LYS A 33 -4.689 -5.840 -7.544 1.00 0.00 C ATOM 513 CG LYS A 33 -4.700 -7.311 -7.128 1.00 0.00 C ATOM 514 CD LYS A 33 -4.315 -8.188 -8.320 1.00 0.00 C ATOM 515 CE LYS A 33 -4.141 -9.634 -7.865 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.810 -10.507 -9.003 1.00 0.00 N ATOM 0 H LYS A 33 -4.919 -3.661 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.787 -6.357 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.714 -5.581 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.843 -5.208 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.002 -7.471 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.690 -7.589 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.085 -8.130 -9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.390 -7.824 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.351 -9.691 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.058 -9.982 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.697 -11.485 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.576 -10.468 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.923 -10.186 -9.441 1.00 0.00 H new ATOM 530 N GLU A 34 -7.360 -4.607 -6.986 1.00 0.00 N ATOM 531 CA GLU A 34 -8.619 -4.510 -6.270 1.00 0.00 C ATOM 532 C GLU A 34 -9.584 -3.616 -7.043 1.00 0.00 C ATOM 533 O GLU A 34 -10.787 -3.636 -6.791 1.00 0.00 O ATOM 534 CB GLU A 34 -8.361 -3.948 -4.871 1.00 0.00 C ATOM 535 CG GLU A 34 -9.583 -4.139 -3.969 1.00 0.00 C ATOM 536 CD GLU A 34 -9.966 -5.609 -3.835 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.925 -6.009 -4.529 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.406 -6.258 -2.924 1.00 0.00 O ATOM 0 H GLU A 34 -6.666 -3.911 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.069 -5.498 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.497 -4.445 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.118 -2.888 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.374 -3.727 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.426 -3.580 -4.376 1.00 0.00 H new ATOM 545 N GLY A 35 -9.059 -2.858 -8.009 1.00 0.00 N ATOM 546 CA GLY A 35 -9.875 -2.007 -8.857 1.00 0.00 C ATOM 547 C GLY A 35 -10.188 -0.675 -8.179 1.00 0.00 C ATOM 548 O GLY A 35 -10.690 0.239 -8.830 1.00 0.00 O ATOM 0 H GLY A 35 -8.062 -2.822 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.356 -1.824 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.805 -2.520 -9.101 1.00 0.00 H new ATOM 552 N ILE A 36 -9.880 -0.552 -6.883 1.00 0.00 N ATOM 553 CA ILE A 36 -10.159 0.663 -6.130 1.00 0.00 C ATOM 554 C ILE A 36 -9.185 1.768 -6.533 1.00 0.00 C ATOM 555 O ILE A 36 -7.988 1.655 -6.278 1.00 0.00 O ATOM 556 CB ILE A 36 -10.037 0.376 -4.631 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.998 -0.756 -4.261 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.382 1.638 -3.838 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.787 -1.191 -2.811 1.00 0.00 C ATOM 0 H ILE A 36 -9.434 -1.288 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.173 0.996 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.016 0.078 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.027 -0.426 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.842 -1.605 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.295 1.432 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.694 2.438 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.403 1.943 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.480 -1.997 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.763 -1.542 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.967 -0.345 -2.148 1.00 0.00 H new ATOM 571 N PRO A 37 -9.702 2.871 -7.091 1.00 0.00 N ATOM 572 CA PRO A 37 -8.906 4.015 -7.485 1.00 0.00 C ATOM 573 C PRO A 37 -8.208 4.638 -6.278 1.00 0.00 C ATOM 574 O PRO A 37 -8.601 4.394 -5.138 1.00 0.00 O ATOM 575 CB PRO A 37 -9.884 5.014 -8.108 1.00 0.00 C ATOM 576 CG PRO A 37 -11.133 4.194 -8.435 1.00 0.00 C ATOM 577 CD PRO A 37 -11.095 3.038 -7.440 1.00 0.00 C ATOM 0 HA PRO A 37 -8.123 3.725 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.114 5.825 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.465 5.469 -9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.040 4.788 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.115 3.834 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.696 3.260 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.500 2.128 -7.881 1.00 0.00 H new ATOM 585 N PRO A 38 -7.245 5.530 -6.532 1.00 0.00 N ATOM 586 CA PRO A 38 -6.530 6.260 -5.506 1.00 0.00 C ATOM 587 C PRO A 38 -7.489 7.099 -4.665 1.00 0.00 C ATOM 588 O PRO A 38 -8.652 7.268 -5.027 1.00 0.00 O ATOM 589 CB PRO A 38 -5.532 7.152 -6.247 1.00 0.00 C ATOM 590 CG PRO A 38 -5.398 6.520 -7.634 1.00 0.00 C ATOM 591 CD PRO A 38 -6.733 5.814 -7.854 1.00 0.00 C ATOM 0 HA PRO A 38 -6.025 5.584 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.892 8.179 -6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.572 7.184 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.215 7.274 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.565 5.818 -7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.423 6.445 -8.414 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.602 4.897 -8.429 1.00 0.00 H new ATOM 599 N ASP A 39 -6.978 7.642 -3.555 1.00 0.00 N ATOM 600 CA ASP A 39 -7.713 8.522 -2.655 1.00 0.00 C ATOM 601 C ASP A 39 -8.732 7.749 -1.826 1.00 0.00 C ATOM 602 O ASP A 39 -8.898 8.019 -0.638 1.00 0.00 O ATOM 603 CB ASP A 39 -8.390 9.639 -3.447 1.00 0.00 C ATOM 604 CG ASP A 39 -8.870 10.737 -2.510 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.105 10.852 -2.355 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.993 11.354 -1.868 1.00 0.00 O ATOM 0 H ASP A 39 -6.018 7.474 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.000 8.967 -1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.692 10.052 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.233 9.236 -4.008 1.00 0.00 H new ATOM 611 N GLN A 40 -9.401 6.771 -2.440 1.00 0.00 N ATOM 612 CA GLN A 40 -10.355 5.936 -1.736 1.00 0.00 C ATOM 613 C GLN A 40 -9.599 5.008 -0.792 1.00 0.00 C ATOM 614 O GLN A 40 -10.190 4.418 0.111 1.00 0.00 O ATOM 615 CB GLN A 40 -11.174 5.135 -2.747 1.00 0.00 C ATOM 616 CG GLN A 40 -12.089 6.082 -3.523 1.00 0.00 C ATOM 617 CD GLN A 40 -12.910 5.328 -4.561 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.729 4.480 -4.213 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.722 5.666 -5.837 1.00 0.00 N ATOM 0 H GLN A 40 -9.293 6.543 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.038 6.552 -1.152 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.511 4.609 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.767 4.378 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.756 6.595 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.490 6.848 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.031 6.376 -6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.269 5.215 -6.570 1.00 0.00 H new ATOM 628 N GLN A 41 -8.288 4.879 -1.014 1.00 0.00 N ATOM 629 CA GLN A 41 -7.431 4.033 -0.208 1.00 0.00 C ATOM 630 C GLN A 41 -6.401 4.881 0.532 1.00 0.00 C ATOM 631 O GLN A 41 -6.081 5.988 0.102 1.00 0.00 O ATOM 632 CB GLN A 41 -6.755 3.009 -1.119 1.00 0.00 C ATOM 633 CG GLN A 41 -5.815 3.724 -2.091 1.00 0.00 C ATOM 634 CD GLN A 41 -5.232 2.751 -3.107 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.144 2.218 -2.905 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.957 2.521 -4.203 1.00 0.00 N ATOM 0 H GLN A 41 -7.797 5.365 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.022 3.506 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.196 2.289 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.508 2.448 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.357 4.515 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.008 4.202 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.856 2.987 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.613 1.879 -4.917 1.00 0.00 H new ATOM 645 N ARG A 42 -5.832 4.327 1.607 1.00 0.00 N ATOM 646 CA ARG A 42 -4.808 4.992 2.397 1.00 0.00 C ATOM 647 C ARG A 42 -3.871 3.935 2.967 1.00 0.00 C ATOM 648 O ARG A 42 -4.319 2.848 3.326 1.00 0.00 O ATOM 649 CB ARG A 42 -5.463 5.782 3.528 1.00 0.00 C ATOM 650 CG ARG A 42 -6.116 7.047 2.974 1.00 0.00 C ATOM 651 CD ARG A 42 -6.788 7.818 4.106 1.00 0.00 C ATOM 652 NE ARG A 42 -7.885 7.043 4.688 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.057 6.865 6.006 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.201 7.416 6.876 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.091 6.144 6.453 1.00 0.00 N ATOM 0 H ARG A 42 -6.075 3.398 1.950 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.243 5.684 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.211 5.166 4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.717 6.047 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.366 7.673 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.851 6.785 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.054 8.052 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.168 8.767 3.729 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.558 6.613 4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.416 7.972 6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.334 7.279 7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.748 5.730 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.223 6.008 7.455 1.00 0.00 H new ATOM 669 N LEU A 43 -2.579 4.258 3.073 1.00 0.00 N ATOM 670 CA LEU A 43 -1.585 3.299 3.523 1.00 0.00 C ATOM 671 C LEU A 43 -1.030 3.703 4.884 1.00 0.00 C ATOM 672 O LEU A 43 -1.025 4.881 5.236 1.00 0.00 O ATOM 673 CB LEU A 43 -0.454 3.237 2.495 1.00 0.00 C ATOM 674 CG LEU A 43 -0.826 2.318 1.331 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.213 2.467 0.222 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.843 0.862 1.794 1.00 0.00 C ATOM 0 H LEU A 43 -2.203 5.180 2.851 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.050 2.318 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.242 4.238 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.457 2.876 2.972 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.815 2.594 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.047 1.814 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.233 3.501 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.196 2.192 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.109 0.217 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.144 0.587 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.576 0.742 2.592 1.00 0.00 H new ATOM 688 N ALA A 44 -0.515 2.717 5.625 1.00 0.00 N ATOM 689 CA ALA A 44 0.110 2.938 6.915 1.00 0.00 C ATOM 690 C ALA A 44 1.070 1.790 7.206 1.00 0.00 C ATOM 691 O ALA A 44 1.052 0.775 6.511 1.00 0.00 O ATOM 692 CB ALA A 44 -0.967 3.018 7.995 1.00 0.00 C ATOM 0 H ALA A 44 -0.525 1.739 5.336 1.00 0.00 H new ATOM 0 HA ALA A 44 0.666 3.875 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.498 3.184 8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.644 3.843 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.529 2.084 8.019 1.00 0.00 H new ATOM 698 N PHE A 45 1.880 1.931 8.258 1.00 0.00 N ATOM 699 CA PHE A 45 2.827 0.902 8.647 1.00 0.00 C ATOM 700 C PHE A 45 2.905 0.830 10.167 1.00 0.00 C ATOM 701 O PHE A 45 3.501 1.700 10.796 1.00 0.00 O ATOM 702 CB PHE A 45 4.195 1.212 8.038 1.00 0.00 C ATOM 703 CG PHE A 45 5.162 0.050 8.088 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.632 -0.421 9.321 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.601 -0.547 6.899 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.532 -1.494 9.365 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.502 -1.620 6.944 1.00 0.00 C ATOM 708 CZ PHE A 45 6.966 -2.094 8.177 1.00 0.00 C ATOM 0 H PHE A 45 1.893 2.758 8.855 1.00 0.00 H new ATOM 0 HA PHE A 45 2.498 -0.068 8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.060 1.516 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.633 2.060 8.564 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.300 0.043 10.238 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.245 -0.180 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.891 -1.858 10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.838 -2.081 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.658 -2.922 8.212 1.00 0.00 H new ATOM 718 N ALA A 46 2.306 -0.209 10.757 1.00 0.00 N ATOM 719 CA ALA A 46 2.280 -0.376 12.201 1.00 0.00 C ATOM 720 C ALA A 46 1.706 0.867 12.882 1.00 0.00 C ATOM 721 O ALA A 46 1.946 1.092 14.066 1.00 0.00 O ATOM 722 CB ALA A 46 3.688 -0.690 12.705 1.00 0.00 C ATOM 0 H ALA A 46 1.830 -0.951 10.244 1.00 0.00 H new ATOM 0 HA ALA A 46 1.627 -1.212 12.453 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.667 -0.815 13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.044 -1.609 12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.358 0.130 12.447 1.00 0.00 H new ATOM 728 N GLY A 47 0.963 1.681 12.127 1.00 0.00 N ATOM 729 CA GLY A 47 0.327 2.875 12.655 1.00 0.00 C ATOM 730 C GLY A 47 1.069 4.133 12.218 1.00 0.00 C ATOM 731 O GLY A 47 0.559 5.239 12.384 1.00 0.00 O ATOM 0 H GLY A 47 0.790 1.525 11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.707 2.922 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.300 2.825 13.744 1.00 0.00 H new ATOM 735 N LYS A 48 2.252 3.967 11.621 1.00 0.00 N ATOM 736 CA LYS A 48 3.022 5.092 11.124 1.00 0.00 C ATOM 737 C LYS A 48 2.422 5.560 9.807 1.00 0.00 C ATOM 738 O LYS A 48 2.229 4.760 8.894 1.00 0.00 O ATOM 739 CB LYS A 48 4.482 4.677 10.940 1.00 0.00 C ATOM 740 CG LYS A 48 5.044 4.161 12.265 1.00 0.00 C ATOM 741 CD LYS A 48 6.510 3.765 12.095 1.00 0.00 C ATOM 742 CE LYS A 48 7.061 3.271 13.431 1.00 0.00 C ATOM 743 NZ LYS A 48 8.476 2.880 13.311 1.00 0.00 N ATOM 0 H LYS A 48 2.692 3.059 11.473 1.00 0.00 H new ATOM 0 HA LYS A 48 2.989 5.914 11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.556 3.902 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.070 5.526 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.954 4.931 13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.464 3.303 12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.602 2.984 11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.090 4.618 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.960 4.055 14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.474 2.420 13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.824 2.549 14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.567 2.116 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.038 3.699 13.003 1.00 0.00 H new ATOM 757 N GLN A 49 2.079 6.847 9.728 1.00 0.00 N ATOM 758 CA GLN A 49 1.466 7.403 8.538 1.00 0.00 C ATOM 759 C GLN A 49 2.457 7.392 7.387 1.00 0.00 C ATOM 760 O GLN A 49 3.512 8.017 7.473 1.00 0.00 O ATOM 761 CB GLN A 49 1.000 8.831 8.814 1.00 0.00 C ATOM 762 CG GLN A 49 0.253 8.907 10.144 1.00 0.00 C ATOM 763 CD GLN A 49 -0.169 10.338 10.446 1.00 0.00 C ATOM 764 OE1 GLN A 49 -0.604 11.065 9.415 1.00 0.00 O flip ATOM 765 NE2 GLN A 49 -0.103 10.778 11.591 1.00 0.00 N flip ATOM 0 H GLN A 49 2.219 7.520 10.482 1.00 0.00 H new ATOM 0 HA GLN A 49 0.604 6.794 8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.859 9.502 8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.351 9.170 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.626 8.263 10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.890 8.534 10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.237 10.183 12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.388 11.738 11.786 1.00 0.00 H new ATOM 774 N LEU A 50 2.129 6.671 6.314 1.00 0.00 N ATOM 775 CA LEU A 50 2.965 6.682 5.131 1.00 0.00 C ATOM 776 C LEU A 50 2.543 7.850 4.254 1.00 0.00 C ATOM 777 O LEU A 50 1.387 8.267 4.293 1.00 0.00 O ATOM 778 CB LEU A 50 2.821 5.362 4.373 1.00 0.00 C ATOM 779 CG LEU A 50 3.271 4.183 5.239 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.164 2.891 4.432 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.713 4.364 5.710 1.00 0.00 C ATOM 0 H LEU A 50 1.299 6.081 6.247 1.00 0.00 H new ATOM 0 HA LEU A 50 4.012 6.795 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.783 5.222 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.415 5.396 3.460 1.00 0.00 H new ATOM 0 HG LEU A 50 2.625 4.135 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.484 2.050 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.130 2.741 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.801 2.959 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.005 3.511 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.373 4.432 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.791 5.278 6.299 1.00 0.00 H new ATOM 793 N GLU A 51 3.471 8.362 3.444 1.00 0.00 N ATOM 794 CA GLU A 51 3.175 9.466 2.553 1.00 0.00 C ATOM 795 C GLU A 51 3.989 9.323 1.273 1.00 0.00 C ATOM 796 O GLU A 51 5.087 8.770 1.292 1.00 0.00 O ATOM 797 CB GLU A 51 3.491 10.778 3.271 1.00 0.00 C ATOM 798 CG GLU A 51 2.967 11.970 2.473 1.00 0.00 C ATOM 799 CD GLU A 51 3.102 13.255 3.281 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.985 14.066 2.926 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.344 13.385 4.268 1.00 0.00 O ATOM 0 H GLU A 51 4.432 8.024 3.393 1.00 0.00 H new ATOM 0 HA GLU A 51 2.120 9.463 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.041 10.773 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.568 10.872 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.521 12.061 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.922 11.807 2.209 1.00 0.00 H new ATOM 808 N ASP A 52 3.426 9.783 0.153 1.00 0.00 N ATOM 809 CA ASP A 52 4.092 9.722 -1.135 1.00 0.00 C ATOM 810 C ASP A 52 4.996 10.935 -1.313 1.00 0.00 C ATOM 811 O ASP A 52 4.858 11.928 -0.600 1.00 0.00 O ATOM 812 CB ASP A 52 3.048 9.640 -2.250 1.00 0.00 C ATOM 813 CG ASP A 52 2.109 10.840 -2.239 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.342 10.943 -1.256 1.00 0.00 O ATOM 815 OD2 ASP A 52 1.988 11.463 -3.316 1.00 0.00 O ATOM 0 H ASP A 52 2.498 10.206 0.121 1.00 0.00 H new ATOM 0 HA ASP A 52 4.715 8.829 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.551 9.582 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.468 8.724 -2.137 1.00 0.00 H new ATOM 820 N GLY A 53 5.939 10.843 -2.253 1.00 0.00 N ATOM 821 CA GLY A 53 6.881 11.914 -2.516 1.00 0.00 C ATOM 822 C GLY A 53 8.260 11.552 -1.977 1.00 0.00 C ATOM 823 O GLY A 53 9.188 12.354 -2.061 1.00 0.00 O ATOM 0 H GLY A 53 6.065 10.024 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.940 12.100 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.532 12.836 -2.051 1.00 0.00 H new ATOM 827 N ARG A 54 8.384 10.361 -1.385 1.00 0.00 N ATOM 828 CA ARG A 54 9.643 9.899 -0.834 1.00 0.00 C ATOM 829 C ARG A 54 9.857 8.433 -1.196 1.00 0.00 C ATOM 830 O ARG A 54 8.896 7.696 -1.414 1.00 0.00 O ATOM 831 CB ARG A 54 9.627 10.104 0.683 1.00 0.00 C ATOM 832 CG ARG A 54 10.922 9.592 1.312 1.00 0.00 C ATOM 833 CD ARG A 54 10.937 9.906 2.807 1.00 0.00 C ATOM 834 NE ARG A 54 12.119 9.322 3.444 1.00 0.00 N ATOM 835 CZ ARG A 54 12.368 9.409 4.756 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.530 10.083 5.555 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.443 8.801 5.277 1.00 0.00 N ATOM 0 H ARG A 54 7.615 9.700 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 54 10.472 10.470 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.500 11.162 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.775 9.581 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.011 8.517 1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.780 10.056 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.932 10.986 2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.034 9.515 3.275 1.00 0.00 H new ATOM 0 HE ARG A 54 12.787 8.823 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.701 10.530 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.721 10.149 6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.072 8.272 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.632 8.868 6.277 1.00 0.00 H new ATOM 851 N THR A 55 11.123 8.012 -1.218 1.00 0.00 N ATOM 852 CA THR A 55 11.507 6.642 -1.502 1.00 0.00 C ATOM 853 C THR A 55 10.866 5.719 -0.474 1.00 0.00 C ATOM 854 O THR A 55 11.162 5.813 0.715 1.00 0.00 O ATOM 855 CB THR A 55 13.032 6.552 -1.445 1.00 0.00 C ATOM 856 OG1 THR A 55 13.573 7.513 -2.324 1.00 0.00 O ATOM 857 CG2 THR A 55 13.497 5.167 -1.875 1.00 0.00 C ATOM 0 H THR A 55 11.916 8.627 -1.036 1.00 0.00 H new ATOM 0 HA THR A 55 11.167 6.337 -2.492 1.00 0.00 H new ATOM 0 HB THR A 55 13.366 6.735 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.552 7.468 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.585 5.118 -1.829 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.072 4.417 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.168 4.973 -2.896 1.00 0.00 H new ATOM 865 N LEU A 56 9.958 4.852 -0.927 1.00 0.00 N ATOM 866 CA LEU A 56 9.203 4.001 -0.029 1.00 0.00 C ATOM 867 C LEU A 56 10.111 3.014 0.700 1.00 0.00 C ATOM 868 O LEU A 56 9.837 2.667 1.848 1.00 0.00 O ATOM 869 CB LEU A 56 8.107 3.275 -0.816 1.00 0.00 C ATOM 870 CG LEU A 56 8.688 2.359 -1.897 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.874 0.944 -1.352 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.712 2.304 -3.068 1.00 0.00 C ATOM 0 H LEU A 56 9.733 4.727 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 56 8.736 4.623 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.498 2.686 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.447 4.008 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 56 9.654 2.751 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.288 0.305 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.557 0.968 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.910 0.548 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.113 1.655 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.755 1.911 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.570 3.307 -3.470 1.00 0.00 H new ATOM 884 N SER A 57 11.211 2.593 0.067 1.00 0.00 N ATOM 885 CA SER A 57 12.099 1.616 0.675 1.00 0.00 C ATOM 886 C SER A 57 12.903 2.260 1.797 1.00 0.00 C ATOM 887 O SER A 57 13.358 1.574 2.710 1.00 0.00 O ATOM 888 CB SER A 57 13.034 1.046 -0.389 1.00 0.00 C ATOM 889 OG SER A 57 13.836 2.078 -0.919 1.00 0.00 O ATOM 0 H SER A 57 11.500 2.914 -0.857 1.00 0.00 H new ATOM 0 HA SER A 57 11.505 0.807 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.664 0.269 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.454 0.578 -1.184 1.00 0.00 H new ATOM 0 HG SER A 57 13.449 2.392 -1.763 1.00 0.00 H new ATOM 895 N ASP A 58 13.048 3.586 1.747 1.00 0.00 N ATOM 896 CA ASP A 58 13.773 4.322 2.764 1.00 0.00 C ATOM 897 C ASP A 58 12.812 4.786 3.851 1.00 0.00 C ATOM 898 O ASP A 58 13.241 5.188 4.930 1.00 0.00 O ATOM 899 CB ASP A 58 14.460 5.520 2.112 1.00 0.00 C ATOM 900 CG ASP A 58 15.290 6.295 3.125 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.919 7.459 3.391 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.327 5.741 3.550 1.00 0.00 O ATOM 0 H ASP A 58 12.666 4.169 1.002 1.00 0.00 H new ATOM 0 HA ASP A 58 14.525 3.680 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.100 5.178 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.710 6.178 1.672 1.00 0.00 H new ATOM 907 N TYR A 59 11.509 4.720 3.568 1.00 0.00 N ATOM 908 CA TYR A 59 10.499 5.199 4.490 1.00 0.00 C ATOM 909 C TYR A 59 10.212 4.162 5.572 1.00 0.00 C ATOM 910 O TYR A 59 10.578 4.362 6.728 1.00 0.00 O ATOM 911 CB TYR A 59 9.234 5.554 3.711 1.00 0.00 C ATOM 912 CG TYR A 59 8.503 6.755 4.263 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.146 7.806 3.407 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.186 6.822 5.627 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.460 8.919 3.906 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.499 7.932 6.135 1.00 0.00 C ATOM 917 CZ TYR A 59 7.130 8.984 5.274 1.00 0.00 C ATOM 918 OH TYR A 59 6.454 10.063 5.761 1.00 0.00 O ATOM 0 H TYR A 59 11.136 4.336 2.700 1.00 0.00 H new ATOM 0 HA TYR A 59 10.866 6.094 4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.499 5.746 2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.562 4.696 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.401 7.757 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.472 6.016 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.184 9.726 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.253 7.981 7.185 1.00 0.00 H new ATOM 0 HH TYR A 59 6.305 9.949 6.723 1.00 0.00 H new ATOM 928 N ASN A 60 9.530 3.070 5.209 1.00 0.00 N ATOM 929 CA ASN A 60 9.143 2.055 6.177 1.00 0.00 C ATOM 930 C ASN A 60 9.075 0.678 5.524 1.00 0.00 C ATOM 931 O ASN A 60 9.167 -0.332 6.217 1.00 0.00 O ATOM 932 CB ASN A 60 7.776 2.410 6.764 1.00 0.00 C ATOM 933 CG ASN A 60 7.903 3.417 7.899 1.00 0.00 C ATOM 934 OD1 ASN A 60 7.168 4.526 7.803 1.00 0.00 O flip ATOM 935 ND2 ASN A 60 8.616 3.174 8.870 1.00 0.00 N flip ATOM 0 H ASN A 60 9.238 2.873 4.252 1.00 0.00 H new ATOM 0 HA ASN A 60 9.892 2.025 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.138 2.820 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.290 1.506 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.161 2.312 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.663 3.834 9.646 1.00 0.00 H new ATOM 942 N ILE A 61 8.836 0.631 4.211 1.00 0.00 N ATOM 943 CA ILE A 61 8.694 -0.632 3.507 1.00 0.00 C ATOM 944 C ILE A 61 9.933 -1.489 3.736 1.00 0.00 C ATOM 945 O ILE A 61 11.057 -0.991 3.696 1.00 0.00 O ATOM 946 CB ILE A 61 8.461 -0.370 2.016 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.982 -0.061 1.770 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.825 -1.619 1.214 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.633 1.330 2.294 1.00 0.00 C ATOM 0 H ILE A 61 8.738 1.456 3.620 1.00 0.00 H new ATOM 0 HA ILE A 61 7.831 -1.176 3.892 1.00 0.00 H new ATOM 0 HB ILE A 61 9.079 0.473 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.764 -0.120 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.361 -0.809 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.659 -1.431 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.874 -1.864 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.202 -2.453 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.578 1.534 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.831 1.376 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.241 2.075 1.781 1.00 0.00 H new ATOM 961 N GLN A 62 9.716 -2.784 3.983 1.00 0.00 N ATOM 962 CA GLN A 62 10.787 -3.731 4.228 1.00 0.00 C ATOM 963 C GLN A 62 10.543 -4.990 3.405 1.00 0.00 C ATOM 964 O GLN A 62 9.476 -5.152 2.816 1.00 0.00 O ATOM 965 CB GLN A 62 10.838 -4.064 5.716 1.00 0.00 C ATOM 966 CG GLN A 62 11.492 -2.924 6.491 1.00 0.00 C ATOM 967 CD GLN A 62 11.459 -3.197 7.989 1.00 0.00 C ATOM 968 OE1 GLN A 62 10.759 -4.099 8.445 1.00 0.00 O ATOM 969 NE2 GLN A 62 12.225 -2.420 8.755 1.00 0.00 N ATOM 0 H GLN A 62 8.785 -3.199 4.017 1.00 0.00 H new ATOM 0 HA GLN A 62 11.743 -3.298 3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.830 -4.237 6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.398 -4.986 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.524 -2.800 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.975 -1.989 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.789 -1.684 8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.247 -2.562 9.765 1.00 0.00 H new ATOM 978 N LYS A 63 11.540 -5.878 3.362 1.00 0.00 N ATOM 979 CA LYS A 63 11.455 -7.111 2.600 1.00 0.00 C ATOM 980 C LYS A 63 10.358 -8.013 3.158 1.00 0.00 C ATOM 981 O LYS A 63 10.389 -8.385 4.330 1.00 0.00 O ATOM 982 CB LYS A 63 12.816 -7.813 2.603 1.00 0.00 C ATOM 983 CG LYS A 63 13.290 -8.105 4.028 1.00 0.00 C ATOM 984 CD LYS A 63 14.720 -8.640 3.986 1.00 0.00 C ATOM 985 CE LYS A 63 15.199 -8.925 5.407 1.00 0.00 C ATOM 986 NZ LYS A 63 16.592 -9.403 5.415 1.00 0.00 N ATOM 0 H LYS A 63 12.424 -5.756 3.856 1.00 0.00 H new ATOM 0 HA LYS A 63 11.191 -6.879 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.747 -8.745 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.550 -7.188 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.247 -7.198 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.631 -8.833 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.762 -9.550 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.377 -7.914 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.119 -8.020 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.553 -9.672 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.890 -9.588 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.661 -10.280 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.210 -8.679 4.996 1.00 0.00 H new ATOM 1000 N GLU A 64 9.380 -8.347 2.311 1.00 0.00 N ATOM 1001 CA GLU A 64 8.274 -9.218 2.671 1.00 0.00 C ATOM 1002 C GLU A 64 7.706 -8.856 4.040 1.00 0.00 C ATOM 1003 O GLU A 64 7.418 -9.741 4.844 1.00 0.00 O ATOM 1004 CB GLU A 64 8.737 -10.675 2.634 1.00 0.00 C ATOM 1005 CG GLU A 64 9.079 -11.091 1.200 1.00 0.00 C ATOM 1006 CD GLU A 64 10.467 -10.620 0.781 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.524 -9.660 -0.017 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.448 -11.246 1.239 1.00 0.00 O ATOM 0 H GLU A 64 9.340 -8.013 1.348 1.00 0.00 H new ATOM 0 HA GLU A 64 7.472 -9.083 1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.610 -10.802 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.954 -11.322 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.024 -12.176 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.336 -10.680 0.517 1.00 0.00 H new ATOM 1015 N SER A 65 7.531 -7.558 4.303 1.00 0.00 N ATOM 1016 CA SER A 65 6.939 -7.113 5.551 1.00 0.00 C ATOM 1017 C SER A 65 5.484 -6.722 5.310 1.00 0.00 C ATOM 1018 O SER A 65 5.038 -6.647 4.166 1.00 0.00 O ATOM 1019 CB SER A 65 7.742 -5.944 6.114 1.00 0.00 C ATOM 1020 OG SER A 65 9.020 -6.398 6.505 1.00 0.00 O ATOM 0 H SER A 65 7.792 -6.805 3.666 1.00 0.00 H new ATOM 0 HA SER A 65 6.961 -7.920 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.837 -5.159 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.222 -5.509 6.967 1.00 0.00 H new ATOM 0 HG SER A 65 9.278 -5.965 7.346 1.00 0.00 H new ATOM 1026 N THR A 66 4.740 -6.493 6.395 1.00 0.00 N ATOM 1027 CA THR A 66 3.316 -6.224 6.316 1.00 0.00 C ATOM 1028 C THR A 66 3.023 -4.739 6.488 1.00 0.00 C ATOM 1029 O THR A 66 3.554 -4.094 7.390 1.00 0.00 O ATOM 1030 CB THR A 66 2.589 -7.045 7.381 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.944 -8.403 7.244 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.076 -6.897 7.228 1.00 0.00 C ATOM 0 H THR A 66 5.112 -6.490 7.345 1.00 0.00 H new ATOM 0 HA THR A 66 2.958 -6.513 5.328 1.00 0.00 H new ATOM 0 HB THR A 66 2.879 -6.682 8.367 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.481 -8.933 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.573 -7.488 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.800 -5.848 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.774 -7.249 6.242 1.00 0.00 H new ATOM 1040 N LEU A 67 2.123 -4.220 5.649 1.00 0.00 N ATOM 1041 CA LEU A 67 1.634 -2.857 5.748 1.00 0.00 C ATOM 1042 C LEU A 67 0.151 -2.900 6.096 1.00 0.00 C ATOM 1043 O LEU A 67 -0.441 -3.976 6.156 1.00 0.00 O ATOM 1044 CB LEU A 67 1.864 -2.122 4.425 1.00 0.00 C ATOM 1045 CG LEU A 67 3.230 -1.433 4.421 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.360 -2.452 4.289 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.297 -0.476 3.234 1.00 0.00 C ATOM 0 H LEU A 67 1.714 -4.746 4.877 1.00 0.00 H new ATOM 0 HA LEU A 67 2.172 -2.318 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.804 -2.827 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.078 -1.383 4.272 1.00 0.00 H new ATOM 0 HG LEU A 67 3.349 -0.897 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.319 -1.934 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.323 -3.147 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.246 -3.003 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.267 0.021 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.164 -1.035 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.508 0.271 3.324 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.455 -1.732 6.316 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.851 -1.660 6.698 1.00 0.00 C ATOM 1061 C HIS A 68 -2.577 -0.702 5.762 1.00 0.00 C ATOM 1062 O HIS A 68 -2.110 0.410 5.526 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.944 -1.208 8.154 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.324 -1.357 8.735 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.476 -0.825 8.231 1.00 0.00 N flip ATOM 1066 CD2 HIS A 68 -3.638 -2.041 9.881 1.00 0.00 C flip ATOM 1067 CE1 HIS A 68 -5.524 -1.188 9.085 1.00 0.00 C flip ATOM 1068 NE2 HIS A 68 -4.966 -1.922 10.068 1.00 0.00 N flip ATOM 0 H HIS A 68 0.007 -0.826 6.234 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.327 -2.637 6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.241 -1.787 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.638 -0.164 8.224 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.948 -2.576 10.516 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.568 -0.932 8.978 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.480 -2.332 10.848 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.701 -1.151 5.199 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.444 -0.374 4.223 1.00 0.00 C ATOM 1078 C LEU A 69 -5.817 -0.015 4.781 1.00 0.00 C ATOM 1079 O LEU A 69 -6.397 -0.784 5.545 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.581 -1.202 2.944 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.185 -0.375 1.808 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.120 0.538 1.206 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.704 -1.314 0.723 1.00 0.00 C ATOM 0 H LEU A 69 -4.114 -2.059 5.410 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.917 0.554 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.602 -1.576 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.209 -2.072 3.137 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.001 0.230 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.558 1.124 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.739 1.209 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.302 -0.066 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.136 -0.729 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.881 -1.916 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.467 -1.969 1.143 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.350 1.136 4.364 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.677 1.572 4.755 1.00 0.00 C ATOM 1097 C ALA A 70 -8.480 1.900 3.504 1.00 0.00 C ATOM 1098 O ALA A 70 -7.937 2.458 2.553 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.565 2.795 5.662 1.00 0.00 C ATOM 0 H ALA A 70 -5.867 1.787 3.745 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.186 0.781 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.562 3.123 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.991 2.537 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.062 3.600 5.127 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.774 1.563 3.504 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.628 1.801 2.354 1.00 0.00 C ATOM 1107 C LEU A 71 -11.773 2.730 2.744 1.00 0.00 C ATOM 1108 O LEU A 71 -11.928 3.079 3.913 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.189 0.474 1.827 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.127 -0.403 1.152 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.308 0.415 0.154 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.205 -1.061 2.176 1.00 0.00 C ATOM 0 H LEU A 71 -10.246 1.124 4.294 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.038 2.270 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.636 -0.078 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.987 0.681 1.114 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.651 -1.195 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.560 -0.225 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.968 0.822 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.811 1.233 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.466 -1.674 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.696 -0.291 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.794 -1.689 2.845 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.576 3.126 1.753 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.723 3.990 1.965 1.00 0.00 C ATOM 1126 C ARG A 72 -14.848 3.221 2.647 1.00 0.00 C ATOM 1127 O ARG A 72 -14.800 1.996 2.742 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.205 4.527 0.619 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.552 3.359 -0.305 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.215 3.883 -1.575 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.545 4.423 -1.288 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.280 5.087 -2.190 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.791 5.313 -3.416 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.497 5.534 -1.862 1.00 0.00 N ATOM 0 H ARG A 72 -12.442 2.851 0.780 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.431 4.820 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.079 5.163 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.431 5.146 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.649 2.803 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.221 2.666 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.592 4.658 -2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.295 3.079 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.932 4.287 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.859 4.980 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.350 5.819 -4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.865 5.369 -0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.057 6.040 -2.549 1.00 0.00 H new