USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0.00545 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 161:sc= -1.26 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.585 F(o=-1.3,f=-0.58) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 23 SER OG : rot 79:sc= 1.01 USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= -0.0863 (180deg=-1.86) USER MOD Single : A 29 ASN : amide:sc= -0.829 K(o=-0.83,f=-1.8) USER MOD Single : A 33 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.0022) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 27:sc= 0.0493 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.475 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.669 -10.430 -12.206 1.00 0.00 N ATOM 2 CA GLY A 1 -0.142 -9.301 -11.390 1.00 0.00 C ATOM 3 C GLY A 1 -1.245 -8.414 -10.847 1.00 0.00 C ATOM 4 O GLY A 1 -1.579 -7.392 -11.446 1.00 0.00 O ATOM 0 H1 GLY A 1 0.124 -11.006 -12.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.295 -11.019 -11.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.204 -10.054 -13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.442 -9.698 -10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.535 -8.702 -11.999 1.00 0.00 H new ATOM 9 N SER A 2 -1.810 -8.805 -9.711 1.00 0.00 N ATOM 10 CA SER A 2 -2.881 -8.038 -9.087 1.00 0.00 C ATOM 11 C SER A 2 -2.318 -7.008 -8.113 1.00 0.00 C ATOM 12 O SER A 2 -2.652 -5.825 -8.182 1.00 0.00 O ATOM 13 CB SER A 2 -3.848 -8.972 -8.357 1.00 0.00 C ATOM 14 OG SER A 2 -4.415 -9.917 -9.247 1.00 0.00 O ATOM 0 H SER A 2 -1.544 -9.649 -9.203 1.00 0.00 H new ATOM 0 HA SER A 2 -3.421 -7.510 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.322 -9.492 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.640 -8.387 -7.890 1.00 0.00 H new ATOM 0 HG SER A 2 -5.028 -10.503 -8.755 1.00 0.00 H new ATOM 20 N ALA A 3 -1.461 -7.465 -7.205 1.00 0.00 N ATOM 21 CA ALA A 3 -0.853 -6.582 -6.218 1.00 0.00 C ATOM 22 C ALA A 3 0.467 -7.154 -5.706 1.00 0.00 C ATOM 23 O ALA A 3 1.537 -6.809 -6.208 1.00 0.00 O ATOM 24 CB ALA A 3 -1.816 -6.338 -5.064 1.00 0.00 C ATOM 0 H ALA A 3 -1.173 -8.441 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.638 -5.629 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.349 -5.677 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.727 -5.875 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.062 -7.287 -4.588 1.00 0.00 H new ATOM 30 N ASP A 4 0.389 -8.025 -4.701 1.00 0.00 N ATOM 31 CA ASP A 4 1.581 -8.634 -4.122 1.00 0.00 C ATOM 32 C ASP A 4 2.588 -7.562 -3.727 1.00 0.00 C ATOM 33 O ASP A 4 3.766 -7.631 -4.081 1.00 0.00 O ATOM 34 CB ASP A 4 2.214 -9.615 -5.112 1.00 0.00 C ATOM 35 CG ASP A 4 2.711 -10.879 -4.438 1.00 0.00 C ATOM 36 OD1 ASP A 4 2.100 -11.946 -4.654 1.00 0.00 O ATOM 37 OD2 ASP A 4 3.711 -10.801 -3.695 1.00 0.00 O ATOM 0 H ASP A 4 -0.487 -8.323 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 4 1.287 -9.182 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.483 -9.878 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.045 -9.127 -5.621 1.00 0.00 H new ATOM 42 N TYR A 5 2.107 -6.565 -2.996 1.00 0.00 N ATOM 43 CA TYR A 5 2.949 -5.465 -2.552 1.00 0.00 C ATOM 44 C TYR A 5 4.081 -5.965 -1.671 1.00 0.00 C ATOM 45 O TYR A 5 5.177 -5.402 -1.666 1.00 0.00 O ATOM 46 CB TYR A 5 2.112 -4.439 -1.798 1.00 0.00 C ATOM 47 CG TYR A 5 0.847 -4.060 -2.522 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.872 -3.130 -3.549 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.371 -4.634 -2.181 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.277 -2.778 -4.216 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.529 -4.286 -2.843 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.479 -3.355 -3.862 1.00 0.00 C ATOM 53 OH TYR A 5 -2.631 -3.004 -4.529 1.00 0.00 O ATOM 0 H TYR A 5 1.134 -6.497 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 5 3.387 -4.994 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.856 -4.839 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.710 -3.543 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.810 -2.674 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.411 -5.364 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.239 -2.052 -5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.470 -4.739 -2.566 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.389 -3.502 -4.158 1.00 0.00 H new ATOM 63 N SER A 6 3.812 -7.033 -0.930 1.00 0.00 N ATOM 64 CA SER A 6 4.805 -7.623 -0.045 1.00 0.00 C ATOM 65 C SER A 6 6.124 -7.852 -0.782 1.00 0.00 C ATOM 66 O SER A 6 7.190 -7.894 -0.169 1.00 0.00 O ATOM 67 CB SER A 6 4.270 -8.935 0.529 1.00 0.00 C ATOM 68 OG SER A 6 4.512 -10.017 -0.353 1.00 0.00 O ATOM 0 H SER A 6 2.910 -7.509 -0.926 1.00 0.00 H new ATOM 0 HA SER A 6 4.999 -6.932 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.743 -9.134 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.199 -8.845 0.713 1.00 0.00 H new ATOM 0 HG SER A 6 4.161 -10.844 0.039 1.00 0.00 H new ATOM 74 N SER A 7 6.042 -7.986 -2.105 1.00 0.00 N ATOM 75 CA SER A 7 7.227 -8.194 -2.931 1.00 0.00 C ATOM 76 C SER A 7 7.608 -6.907 -3.663 1.00 0.00 C ATOM 77 O SER A 7 8.765 -6.716 -4.039 1.00 0.00 O ATOM 78 CB SER A 7 6.981 -9.318 -3.939 1.00 0.00 C ATOM 79 OG SER A 7 8.091 -10.196 -4.007 1.00 0.00 O ATOM 0 H SER A 7 5.166 -7.954 -2.627 1.00 0.00 H new ATOM 0 HA SER A 7 8.053 -8.479 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.089 -9.876 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.790 -8.892 -4.924 1.00 0.00 H new ATOM 0 HG SER A 7 7.907 -10.906 -4.657 1.00 0.00 H new ATOM 85 N LEU A 8 6.628 -6.027 -3.857 1.00 0.00 N ATOM 86 CA LEU A 8 6.856 -4.755 -4.539 1.00 0.00 C ATOM 87 C LEU A 8 7.904 -3.927 -3.795 1.00 0.00 C ATOM 88 O LEU A 8 8.654 -4.456 -2.974 1.00 0.00 O ATOM 89 CB LEU A 8 5.539 -3.978 -4.642 1.00 0.00 C ATOM 90 CG LEU A 8 4.965 -3.837 -6.053 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.781 -4.772 -6.237 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.549 -2.398 -6.321 1.00 0.00 C ATOM 0 H LEU A 8 5.666 -6.172 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 8 7.230 -4.957 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.797 -4.471 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.693 -2.981 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 8 5.740 -4.110 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.383 -4.661 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.104 -5.802 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.006 -4.525 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.143 -2.318 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.789 -2.099 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.416 -1.745 -6.226 1.00 0.00 H new ATOM 104 N THR A 9 7.949 -2.627 -4.077 1.00 0.00 N ATOM 105 CA THR A 9 8.902 -1.738 -3.424 1.00 0.00 C ATOM 106 C THR A 9 8.177 -0.726 -2.547 1.00 0.00 C ATOM 107 O THR A 9 6.994 -0.449 -2.745 1.00 0.00 O ATOM 108 CB THR A 9 9.767 -1.007 -4.459 1.00 0.00 C ATOM 109 OG1 THR A 9 10.215 0.238 -3.948 1.00 0.00 O ATOM 110 CG2 THR A 9 9.050 -0.734 -5.765 1.00 0.00 C ATOM 0 H THR A 9 7.337 -2.168 -4.752 1.00 0.00 H new ATOM 0 HA THR A 9 9.552 -2.348 -2.796 1.00 0.00 H new ATOM 0 HB THR A 9 10.601 -1.680 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.987 0.546 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.723 -0.215 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.736 -1.677 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.174 -0.113 -5.576 1.00 0.00 H new ATOM 118 N VAL A 10 8.896 -0.173 -1.581 1.00 0.00 N ATOM 119 CA VAL A 10 8.327 0.811 -0.674 1.00 0.00 C ATOM 120 C VAL A 10 7.902 2.064 -1.426 1.00 0.00 C ATOM 121 O VAL A 10 6.956 2.739 -1.034 1.00 0.00 O ATOM 122 CB VAL A 10 9.336 1.218 0.413 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.557 0.078 1.396 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.648 1.650 -0.228 1.00 0.00 C ATOM 0 H VAL A 10 9.877 -0.390 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 10 7.458 0.346 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 10 8.930 2.063 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.274 0.387 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.611 -0.180 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.944 -0.791 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.356 1.936 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.060 0.823 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.469 2.500 -0.886 1.00 0.00 H new ATOM 134 N VAL A 11 8.617 2.372 -2.504 1.00 0.00 N ATOM 135 CA VAL A 11 8.322 3.554 -3.303 1.00 0.00 C ATOM 136 C VAL A 11 7.031 3.381 -4.090 1.00 0.00 C ATOM 137 O VAL A 11 6.197 4.286 -4.147 1.00 0.00 O ATOM 138 CB VAL A 11 9.479 3.872 -4.278 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.812 3.766 -3.561 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.454 2.945 -5.487 1.00 0.00 C ATOM 0 H VAL A 11 9.404 1.819 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 11 8.203 4.386 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 11 9.348 4.893 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.619 3.992 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.838 4.475 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.938 2.754 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.280 3.194 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.554 1.912 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.510 3.065 -6.018 1.00 0.00 H new ATOM 150 N GLN A 12 6.869 2.210 -4.688 1.00 0.00 N ATOM 151 CA GLN A 12 5.679 1.918 -5.469 1.00 0.00 C ATOM 152 C GLN A 12 4.494 1.701 -4.549 1.00 0.00 C ATOM 153 O GLN A 12 3.366 2.069 -4.873 1.00 0.00 O ATOM 154 CB GLN A 12 5.894 0.683 -6.343 1.00 0.00 C ATOM 155 CG GLN A 12 6.860 0.912 -7.495 1.00 0.00 C ATOM 156 CD GLN A 12 7.067 -0.332 -8.337 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.323 -0.631 -8.650 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.111 -1.017 -8.700 1.00 0.00 N flip ATOM 0 H GLN A 12 7.546 1.448 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 12 5.477 2.770 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.269 -0.130 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.933 0.361 -6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.482 1.716 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.820 1.243 -7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.163 -0.750 -8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.267 -1.852 -9.265 1.00 0.00 H new ATOM 167 N LEU A 13 4.763 1.098 -3.398 1.00 0.00 N ATOM 168 CA LEU A 13 3.728 0.822 -2.419 1.00 0.00 C ATOM 169 C LEU A 13 3.104 2.113 -1.901 1.00 0.00 C ATOM 170 O LEU A 13 1.893 2.301 -1.974 1.00 0.00 O ATOM 171 CB LEU A 13 4.297 0.007 -1.258 1.00 0.00 C ATOM 172 CG LEU A 13 3.921 -1.474 -1.269 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.964 -2.277 -2.025 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.769 -2.000 0.148 1.00 0.00 C ATOM 0 H LEU A 13 5.696 0.791 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 13 2.947 0.240 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.384 0.092 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.955 0.447 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 13 2.963 -1.582 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.683 -3.330 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.025 -1.918 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.934 -2.160 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.501 -3.056 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.711 -1.880 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.986 -1.442 0.661 1.00 0.00 H new ATOM 186 N LYS A 14 3.933 3.000 -1.373 1.00 0.00 N ATOM 187 CA LYS A 14 3.441 4.263 -0.844 1.00 0.00 C ATOM 188 C LYS A 14 2.947 5.179 -1.959 1.00 0.00 C ATOM 189 O LYS A 14 2.030 5.972 -1.756 1.00 0.00 O ATOM 190 CB LYS A 14 4.528 4.961 -0.033 1.00 0.00 C ATOM 191 CG LYS A 14 5.713 5.413 -0.868 1.00 0.00 C ATOM 192 CD LYS A 14 6.727 6.189 -0.039 1.00 0.00 C ATOM 193 CE LYS A 14 6.058 7.230 0.847 1.00 0.00 C ATOM 194 NZ LYS A 14 6.873 8.471 0.960 1.00 0.00 N ATOM 0 H LYS A 14 4.942 2.871 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 14 2.597 4.042 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.096 5.827 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.880 4.284 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.197 4.543 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.362 6.037 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.296 5.496 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.439 6.680 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.077 7.476 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.896 6.811 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.382 9.154 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.800 8.241 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.007 8.886 0.016 1.00 0.00 H new ATOM 208 N ASP A 15 3.547 5.064 -3.141 1.00 0.00 N ATOM 209 CA ASP A 15 3.145 5.889 -4.274 1.00 0.00 C ATOM 210 C ASP A 15 1.716 5.549 -4.685 1.00 0.00 C ATOM 211 O ASP A 15 0.853 6.428 -4.794 1.00 0.00 O ATOM 212 CB ASP A 15 4.101 5.677 -5.452 1.00 0.00 C ATOM 213 CG ASP A 15 3.733 6.520 -6.658 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.918 7.753 -6.599 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.259 5.945 -7.661 1.00 0.00 O ATOM 0 H ASP A 15 4.307 4.413 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 15 3.187 6.937 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.117 5.920 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.097 4.624 -5.734 1.00 0.00 H new ATOM 220 N LEU A 16 1.463 4.265 -4.881 1.00 0.00 N ATOM 221 CA LEU A 16 0.139 3.803 -5.246 1.00 0.00 C ATOM 222 C LEU A 16 -0.818 4.055 -4.090 1.00 0.00 C ATOM 223 O LEU A 16 -2.011 4.293 -4.286 1.00 0.00 O ATOM 224 CB LEU A 16 0.188 2.313 -5.628 1.00 0.00 C ATOM 225 CG LEU A 16 -0.357 1.320 -4.588 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.160 0.223 -5.262 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.777 0.717 -3.780 1.00 0.00 C ATOM 0 H LEU A 16 2.160 3.525 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.221 4.354 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.372 2.179 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.224 2.049 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.015 1.866 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.536 -0.468 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.999 0.664 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.523 -0.316 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.371 0.017 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.459 0.190 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.316 1.510 -3.262 1.00 0.00 H new ATOM 239 N LEU A 17 -0.276 3.989 -2.878 1.00 0.00 N ATOM 240 CA LEU A 17 -1.066 4.196 -1.678 1.00 0.00 C ATOM 241 C LEU A 17 -1.718 5.565 -1.680 1.00 0.00 C ATOM 242 O LEU A 17 -2.942 5.684 -1.599 1.00 0.00 O ATOM 243 CB LEU A 17 -0.168 4.088 -0.458 1.00 0.00 C ATOM 244 CG LEU A 17 -0.051 2.697 0.134 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.988 2.691 1.247 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.409 2.232 0.635 1.00 0.00 C ATOM 0 H LEU A 17 0.710 3.793 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.846 3.435 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.829 4.436 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.544 4.763 0.311 1.00 0.00 H new ATOM 0 HG LEU A 17 0.280 1.999 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.066 1.688 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.955 2.992 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.688 3.389 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.318 1.232 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.769 2.919 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.115 2.211 -0.195 1.00 0.00 H new ATOM 258 N THR A 18 -0.897 6.600 -1.803 1.00 0.00 N ATOM 259 CA THR A 18 -1.415 7.959 -1.844 1.00 0.00 C ATOM 260 C THR A 18 -2.296 8.105 -3.072 1.00 0.00 C ATOM 261 O THR A 18 -3.263 8.867 -3.073 1.00 0.00 O ATOM 262 CB THR A 18 -0.289 9.009 -1.845 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.626 10.112 -2.668 1.00 0.00 O ATOM 264 CG2 THR A 18 1.046 8.481 -2.319 1.00 0.00 C ATOM 0 H THR A 18 0.118 6.526 -1.875 1.00 0.00 H new ATOM 0 HA THR A 18 -2.000 8.139 -0.942 1.00 0.00 H new ATOM 0 HB THR A 18 -0.188 9.304 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.103 10.767 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.785 9.282 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.367 7.667 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.950 8.113 -3.340 1.00 0.00 H new ATOM 272 N LYS A 19 -1.967 7.343 -4.113 1.00 0.00 N ATOM 273 CA LYS A 19 -2.746 7.367 -5.336 1.00 0.00 C ATOM 274 C LYS A 19 -4.176 6.897 -5.059 1.00 0.00 C ATOM 275 O LYS A 19 -5.125 7.377 -5.678 1.00 0.00 O ATOM 276 CB LYS A 19 -2.099 6.486 -6.404 1.00 0.00 C ATOM 277 CG LYS A 19 -1.139 7.237 -7.312 1.00 0.00 C ATOM 278 CD LYS A 19 -0.089 6.309 -7.903 1.00 0.00 C ATOM 279 CE LYS A 19 0.248 6.689 -9.335 1.00 0.00 C ATOM 280 NZ LYS A 19 0.839 5.550 -10.088 1.00 0.00 N ATOM 0 H LYS A 19 -1.170 6.707 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.776 8.392 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.563 5.672 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.882 6.033 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.697 7.716 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.649 8.030 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.814 6.345 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.452 5.282 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.655 7.030 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.948 7.525 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.054 5.851 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.714 5.241 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.162 4.761 -10.112 1.00 0.00 H new ATOM 294 N ARG A 20 -4.326 5.961 -4.114 1.00 0.00 N ATOM 295 CA ARG A 20 -5.651 5.446 -3.756 1.00 0.00 C ATOM 296 C ARG A 20 -6.356 6.378 -2.776 1.00 0.00 C ATOM 297 O ARG A 20 -7.557 6.247 -2.541 1.00 0.00 O ATOM 298 CB ARG A 20 -5.554 4.072 -3.092 1.00 0.00 C ATOM 299 CG ARG A 20 -4.604 3.094 -3.759 1.00 0.00 C ATOM 300 CD ARG A 20 -5.137 1.675 -3.653 1.00 0.00 C ATOM 301 NE ARG A 20 -4.342 0.715 -4.413 1.00 0.00 N ATOM 302 CZ ARG A 20 -4.644 0.316 -5.650 1.00 0.00 C ATOM 303 NH1 ARG A 20 -5.661 0.863 -6.305 1.00 0.00 N ATOM 304 NH2 ARG A 20 -3.920 -0.625 -6.240 1.00 0.00 N ATOM 0 H ARG A 20 -3.555 5.549 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.215 5.375 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.241 4.208 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.549 3.627 -3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.474 3.362 -4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.622 3.155 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.156 1.376 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.167 1.651 -4.010 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.508 0.327 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.218 1.594 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.885 0.552 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.131 -1.045 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.152 -0.929 -7.186 1.00 0.00 H new ATOM 318 N ASN A 21 -5.593 7.301 -2.193 1.00 0.00 N ATOM 319 CA ASN A 21 -6.118 8.254 -1.215 1.00 0.00 C ATOM 320 C ASN A 21 -6.010 7.696 0.205 1.00 0.00 C ATOM 321 O ASN A 21 -6.273 8.406 1.176 1.00 0.00 O ATOM 322 CB ASN A 21 -7.572 8.633 -1.522 1.00 0.00 C ATOM 323 CG ASN A 21 -7.879 10.077 -1.183 1.00 0.00 C ATOM 324 OD1 ASN A 21 -8.118 10.418 -0.024 1.00 0.00 O ATOM 325 ND2 ASN A 21 -7.873 10.937 -2.195 1.00 0.00 N ATOM 0 H ASN A 21 -4.597 7.410 -2.384 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.510 9.156 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.774 8.461 -2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.241 7.981 -0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.072 11.923 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.670 10.611 -3.140 1.00 0.00 H new ATOM 332 N LEU A 22 -5.608 6.430 0.325 1.00 0.00 N ATOM 333 CA LEU A 22 -5.455 5.805 1.635 1.00 0.00 C ATOM 334 C LEU A 22 -4.412 6.560 2.454 1.00 0.00 C ATOM 335 O LEU A 22 -4.754 7.379 3.306 1.00 0.00 O ATOM 336 CB LEU A 22 -5.037 4.335 1.492 1.00 0.00 C ATOM 337 CG LEU A 22 -6.023 3.439 0.741 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.290 2.605 -0.301 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.771 2.539 1.713 1.00 0.00 C ATOM 0 H LEU A 22 -5.385 5.823 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.416 5.844 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.076 4.297 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.883 3.921 2.488 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.749 4.072 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.004 1.972 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.796 3.265 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.545 1.980 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.468 1.908 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.059 1.911 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.322 3.152 2.426 1.00 0.00 H new ATOM 351 N SER A 23 -3.138 6.283 2.161 1.00 0.00 N ATOM 352 CA SER A 23 -2.002 6.923 2.825 1.00 0.00 C ATOM 353 C SER A 23 -0.816 5.983 2.892 1.00 0.00 C ATOM 354 O SER A 23 -0.870 4.850 2.416 1.00 0.00 O ATOM 355 CB SER A 23 -2.325 7.394 4.241 1.00 0.00 C ATOM 356 OG SER A 23 -2.963 8.660 4.232 1.00 0.00 O ATOM 0 H SER A 23 -2.866 5.603 1.451 1.00 0.00 H new ATOM 0 HA SER A 23 -1.763 7.798 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.969 6.664 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.407 7.452 4.825 1.00 0.00 H new ATOM 0 HG SER A 23 -3.909 8.548 4.003 1.00 0.00 H new ATOM 362 N VAL A 24 0.259 6.475 3.482 1.00 0.00 N ATOM 363 CA VAL A 24 1.480 5.709 3.616 1.00 0.00 C ATOM 364 C VAL A 24 2.031 5.776 5.042 1.00 0.00 C ATOM 365 O VAL A 24 3.090 5.220 5.330 1.00 0.00 O ATOM 366 CB VAL A 24 2.533 6.234 2.629 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.895 6.459 1.268 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.145 7.524 3.155 1.00 0.00 C ATOM 0 H VAL A 24 0.308 7.413 3.879 1.00 0.00 H new ATOM 0 HA VAL A 24 1.250 4.667 3.392 1.00 0.00 H new ATOM 0 HB VAL A 24 3.327 5.495 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.646 6.831 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.490 5.518 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.091 7.189 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.890 7.888 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.364 8.274 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.620 7.335 4.118 1.00 0.00 H new ATOM 378 N GLY A 25 1.312 6.459 5.929 1.00 0.00 N ATOM 379 CA GLY A 25 1.752 6.574 7.306 1.00 0.00 C ATOM 380 C GLY A 25 1.676 5.251 8.042 1.00 0.00 C ATOM 381 O GLY A 25 0.919 5.105 9.002 1.00 0.00 O ATOM 0 H GLY A 25 0.434 6.934 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.778 6.942 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.137 7.311 7.822 1.00 0.00 H new ATOM 385 N GLY A 26 2.464 4.284 7.586 1.00 0.00 N ATOM 386 CA GLY A 26 2.479 2.974 8.203 1.00 0.00 C ATOM 387 C GLY A 26 3.799 2.266 7.976 1.00 0.00 C ATOM 388 O GLY A 26 4.726 2.403 8.771 1.00 0.00 O ATOM 0 H GLY A 26 3.097 4.387 6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.298 3.073 9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.667 2.371 7.797 1.00 0.00 H new ATOM 392 N LEU A 27 3.877 1.511 6.882 1.00 0.00 N ATOM 393 CA LEU A 27 5.086 0.772 6.527 1.00 0.00 C ATOM 394 C LEU A 27 4.799 -0.181 5.373 1.00 0.00 C ATOM 395 O LEU A 27 3.644 -0.415 5.038 1.00 0.00 O ATOM 396 CB LEU A 27 5.603 -0.010 7.731 1.00 0.00 C ATOM 397 CG LEU A 27 7.046 0.294 8.137 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.018 -0.251 7.105 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.256 1.792 8.324 1.00 0.00 C ATOM 0 H LEU A 27 3.109 1.395 6.221 1.00 0.00 H new ATOM 0 HA LEU A 27 5.850 1.485 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.953 0.193 8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.521 -1.075 7.514 1.00 0.00 H new ATOM 0 HG LEU A 27 7.238 -0.199 9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.039 -0.025 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.895 -1.331 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.819 0.211 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.290 1.981 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.040 2.309 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.589 2.158 9.104 1.00 0.00 H new ATOM 411 N LYS A 28 5.849 -0.731 4.769 1.00 0.00 N ATOM 412 CA LYS A 28 5.681 -1.658 3.654 1.00 0.00 C ATOM 413 C LYS A 28 4.649 -2.732 3.991 1.00 0.00 C ATOM 414 O LYS A 28 3.633 -2.863 3.309 1.00 0.00 O ATOM 415 CB LYS A 28 7.018 -2.311 3.298 1.00 0.00 C ATOM 416 CG LYS A 28 7.226 -2.496 1.804 1.00 0.00 C ATOM 417 CD LYS A 28 8.546 -3.188 1.505 1.00 0.00 C ATOM 418 CE LYS A 28 8.762 -3.353 0.009 1.00 0.00 C ATOM 419 NZ LYS A 28 10.189 -3.160 -0.371 1.00 0.00 N ATOM 0 H LYS A 28 6.819 -0.553 5.031 1.00 0.00 H new ATOM 0 HA LYS A 28 5.323 -1.092 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.828 -1.701 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.080 -3.283 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.405 -3.083 1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.203 -1.525 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.366 -2.609 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.563 -4.166 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.436 -4.347 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.143 -2.635 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.453 -3.858 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.321 -2.200 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.792 -3.287 0.467 1.00 0.00 H new ATOM 433 N ASN A 29 4.902 -3.483 5.061 1.00 0.00 N ATOM 434 CA ASN A 29 3.978 -4.527 5.490 1.00 0.00 C ATOM 435 C ASN A 29 2.589 -3.940 5.700 1.00 0.00 C ATOM 436 O ASN A 29 1.583 -4.502 5.264 1.00 0.00 O ATOM 437 CB ASN A 29 4.474 -5.181 6.782 1.00 0.00 C ATOM 438 CG ASN A 29 4.629 -4.183 7.913 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.633 -3.477 8.000 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.631 -4.121 8.787 1.00 0.00 N ATOM 0 H ASN A 29 5.734 -3.388 5.643 1.00 0.00 H new ATOM 0 HA ASN A 29 3.927 -5.289 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.775 -5.961 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.432 -5.666 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.678 -3.469 9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.817 -4.726 8.676 1.00 0.00 H new ATOM 447 N GLU A 30 2.551 -2.787 6.355 1.00 0.00 N ATOM 448 CA GLU A 30 1.299 -2.094 6.609 1.00 0.00 C ATOM 449 C GLU A 30 0.687 -1.616 5.297 1.00 0.00 C ATOM 450 O GLU A 30 -0.531 -1.491 5.172 1.00 0.00 O ATOM 451 CB GLU A 30 1.533 -0.907 7.545 1.00 0.00 C ATOM 452 CG GLU A 30 1.349 -1.246 9.014 1.00 0.00 C ATOM 453 CD GLU A 30 -0.050 -0.942 9.513 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.847 -1.891 9.662 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.348 0.247 9.755 1.00 0.00 O ATOM 0 H GLU A 30 3.377 -2.312 6.720 1.00 0.00 H new ATOM 0 HA GLU A 30 0.606 -2.786 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.543 -0.528 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.847 -0.103 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.564 -2.303 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.072 -0.684 9.606 1.00 0.00 H new ATOM 462 N TRP A 31 1.551 -1.341 4.323 1.00 0.00 N ATOM 463 CA TRP A 31 1.119 -0.866 3.019 1.00 0.00 C ATOM 464 C TRP A 31 0.461 -1.986 2.227 1.00 0.00 C ATOM 465 O TRP A 31 -0.620 -1.807 1.670 1.00 0.00 O ATOM 466 CB TRP A 31 2.312 -0.273 2.266 1.00 0.00 C ATOM 467 CG TRP A 31 2.800 0.996 2.894 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.157 1.711 3.864 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.022 1.701 2.623 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.894 2.811 4.208 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.042 2.828 3.466 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.103 1.498 1.754 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.090 3.740 3.470 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.144 2.408 1.762 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.131 3.515 2.615 1.00 0.00 C ATOM 0 H TRP A 31 2.562 -1.441 4.418 1.00 0.00 H new ATOM 0 HA TRP A 31 0.372 -0.083 3.153 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.123 -1.001 2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.027 -0.079 1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.204 1.446 4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.630 3.506 4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.122 0.646 1.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.082 4.597 4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.982 2.261 1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.961 4.206 2.598 1.00 0.00 H new ATOM 486 N VAL A 32 1.097 -3.151 2.202 1.00 0.00 N ATOM 487 CA VAL A 32 0.533 -4.292 1.497 1.00 0.00 C ATOM 488 C VAL A 32 -0.791 -4.690 2.138 1.00 0.00 C ATOM 489 O VAL A 32 -1.729 -5.094 1.454 1.00 0.00 O ATOM 490 CB VAL A 32 1.489 -5.504 1.487 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.800 -5.967 2.902 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.903 -6.642 0.661 1.00 0.00 C ATOM 0 H VAL A 32 1.993 -3.328 2.656 1.00 0.00 H new ATOM 0 HA VAL A 32 0.374 -3.990 0.462 1.00 0.00 H new ATOM 0 HB VAL A 32 2.426 -5.192 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.475 -6.822 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.272 -5.155 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.875 -6.256 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.591 -7.487 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.051 -6.949 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.749 -6.306 -0.364 1.00 0.00 H new ATOM 502 N GLN A 33 -0.861 -4.560 3.459 1.00 0.00 N ATOM 503 CA GLN A 33 -2.071 -4.896 4.198 1.00 0.00 C ATOM 504 C GLN A 33 -3.203 -3.925 3.865 1.00 0.00 C ATOM 505 O GLN A 33 -4.311 -4.345 3.529 1.00 0.00 O ATOM 506 CB GLN A 33 -1.795 -4.884 5.703 1.00 0.00 C ATOM 507 CG GLN A 33 -1.650 -6.273 6.306 1.00 0.00 C ATOM 508 CD GLN A 33 -0.215 -6.608 6.663 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.252 -6.302 7.760 1.00 0.00 O ATOM 510 NE2 GLN A 33 0.494 -7.240 5.734 1.00 0.00 N ATOM 0 H GLN A 33 -0.093 -4.224 4.039 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.381 -5.898 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.883 -4.318 5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.606 -4.360 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.269 -6.343 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.027 -7.013 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.067 -7.474 4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.466 -7.491 5.917 1.00 0.00 H new ATOM 519 N ARG A 34 -2.923 -2.625 3.960 1.00 0.00 N ATOM 520 CA ARG A 34 -3.933 -1.612 3.665 1.00 0.00 C ATOM 521 C ARG A 34 -4.338 -1.659 2.193 1.00 0.00 C ATOM 522 O ARG A 34 -5.519 -1.547 1.865 1.00 0.00 O ATOM 523 CB ARG A 34 -3.438 -0.213 4.045 1.00 0.00 C ATOM 524 CG ARG A 34 -2.265 0.273 3.224 1.00 0.00 C ATOM 525 CD ARG A 34 -1.997 1.746 3.480 1.00 0.00 C ATOM 526 NE ARG A 34 -1.859 2.046 4.902 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.516 3.017 5.532 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.368 3.797 4.878 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.313 3.215 6.828 1.00 0.00 N ATOM 0 H ARG A 34 -2.014 -2.253 4.236 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.813 -1.834 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.261 0.493 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.155 -0.213 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.378 -0.310 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.467 0.115 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.087 2.043 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.811 2.339 3.063 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.216 1.473 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.526 3.656 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.865 4.537 5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.656 2.624 7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.814 3.958 7.315 1.00 0.00 H new ATOM 543 N LEU A 35 -3.359 -1.842 1.309 1.00 0.00 N ATOM 544 CA LEU A 35 -3.637 -1.922 -0.122 1.00 0.00 C ATOM 545 C LEU A 35 -4.516 -3.129 -0.414 1.00 0.00 C ATOM 546 O LEU A 35 -5.564 -3.011 -1.050 1.00 0.00 O ATOM 547 CB LEU A 35 -2.340 -2.039 -0.924 1.00 0.00 C ATOM 548 CG LEU A 35 -1.436 -0.809 -0.912 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.081 -1.161 -1.493 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.062 0.330 -1.699 1.00 0.00 C ATOM 0 H LEU A 35 -2.374 -1.937 1.556 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.153 -1.009 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.773 -2.887 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.595 -2.269 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.311 -0.482 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.560 -0.279 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.377 -1.950 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.204 -1.507 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.400 1.195 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.215 0.017 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.021 0.595 -1.254 1.00 0.00 H new ATOM 562 N ILE A 36 -4.089 -4.291 0.077 1.00 0.00 N ATOM 563 CA ILE A 36 -4.842 -5.523 -0.113 1.00 0.00 C ATOM 564 C ILE A 36 -6.275 -5.340 0.376 1.00 0.00 C ATOM 565 O ILE A 36 -7.221 -5.840 -0.232 1.00 0.00 O ATOM 566 CB ILE A 36 -4.183 -6.706 0.636 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.871 -7.111 -0.043 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.128 -7.900 0.704 1.00 0.00 C ATOM 569 CD1 ILE A 36 -2.039 -8.064 0.788 1.00 0.00 C ATOM 0 H ILE A 36 -3.226 -4.402 0.609 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.846 -5.753 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.965 -6.380 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.095 -7.577 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.286 -6.215 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.642 -8.719 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.038 -7.614 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.381 -8.222 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.124 -8.311 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.786 -7.593 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.607 -8.975 0.975 1.00 0.00 H new ATOM 581 N LYS A 37 -6.421 -4.599 1.469 1.00 0.00 N ATOM 582 CA LYS A 37 -7.729 -4.322 2.036 1.00 0.00 C ATOM 583 C LYS A 37 -8.477 -3.334 1.154 1.00 0.00 C ATOM 584 O LYS A 37 -9.703 -3.375 1.055 1.00 0.00 O ATOM 585 CB LYS A 37 -7.593 -3.765 3.454 1.00 0.00 C ATOM 586 CG LYS A 37 -8.680 -4.244 4.403 1.00 0.00 C ATOM 587 CD LYS A 37 -8.099 -5.011 5.580 1.00 0.00 C ATOM 588 CE LYS A 37 -7.751 -6.441 5.196 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.028 -7.149 6.288 1.00 0.00 N ATOM 0 H LYS A 37 -5.644 -4.179 1.979 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.293 -5.254 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.620 -4.050 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.614 -2.676 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.246 -3.388 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.380 -4.881 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.205 -4.502 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.816 -5.018 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.664 -6.984 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.135 -6.436 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.809 -8.120 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.144 -6.645 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.625 -7.177 7.139 1.00 0.00 H new ATOM 603 N ASP A 38 -7.723 -2.444 0.513 1.00 0.00 N ATOM 604 CA ASP A 38 -8.310 -1.444 -0.360 1.00 0.00 C ATOM 605 C ASP A 38 -8.856 -2.086 -1.630 1.00 0.00 C ATOM 606 O ASP A 38 -9.963 -1.774 -2.070 1.00 0.00 O ATOM 607 CB ASP A 38 -7.273 -0.380 -0.718 1.00 0.00 C ATOM 608 CG ASP A 38 -7.914 0.894 -1.231 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.806 1.431 -0.541 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.528 1.355 -2.324 1.00 0.00 O ATOM 0 H ASP A 38 -6.707 -2.399 0.585 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.136 -0.972 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.670 -0.153 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.596 -0.775 -1.476 1.00 0.00 H new ATOM 615 N ASP A 39 -8.071 -2.984 -2.214 1.00 0.00 N ATOM 616 CA ASP A 39 -8.471 -3.674 -3.433 1.00 0.00 C ATOM 617 C ASP A 39 -9.508 -4.752 -3.136 1.00 0.00 C ATOM 618 O ASP A 39 -10.316 -5.104 -3.997 1.00 0.00 O ATOM 619 CB ASP A 39 -7.251 -4.299 -4.112 1.00 0.00 C ATOM 620 CG ASP A 39 -6.492 -3.303 -4.966 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.131 -3.654 -6.109 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.258 -2.170 -4.492 1.00 0.00 O ATOM 0 H ASP A 39 -7.152 -3.251 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.919 -2.941 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.583 -4.705 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.573 -5.135 -4.733 1.00 0.00 H new ATOM 627 N GLU A 40 -9.482 -5.276 -1.914 1.00 0.00 N ATOM 628 CA GLU A 40 -10.421 -6.316 -1.509 1.00 0.00 C ATOM 629 C GLU A 40 -11.768 -5.722 -1.117 1.00 0.00 C ATOM 630 O GLU A 40 -12.789 -6.409 -1.143 1.00 0.00 O ATOM 631 CB GLU A 40 -9.849 -7.132 -0.348 1.00 0.00 C ATOM 632 CG GLU A 40 -8.916 -8.246 -0.791 1.00 0.00 C ATOM 633 CD GLU A 40 -8.228 -8.929 0.376 1.00 0.00 C ATOM 634 OE1 GLU A 40 -8.713 -8.787 1.518 1.00 0.00 O ATOM 635 OE2 GLU A 40 -7.203 -9.606 0.147 1.00 0.00 O ATOM 0 H GLU A 40 -8.822 -4.998 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.575 -6.975 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.311 -6.464 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.672 -7.563 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.482 -8.985 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.162 -7.838 -1.464 1.00 0.00 H new ATOM 642 N GLU A 41 -11.770 -4.441 -0.763 1.00 0.00 N ATOM 643 CA GLU A 41 -13.001 -3.763 -0.380 1.00 0.00 C ATOM 644 C GLU A 41 -14.045 -3.861 -1.489 1.00 0.00 C ATOM 645 O GLU A 41 -15.235 -3.653 -1.253 1.00 0.00 O ATOM 646 CB GLU A 41 -12.721 -2.295 -0.053 1.00 0.00 C ATOM 647 CG GLU A 41 -12.183 -2.077 1.351 1.00 0.00 C ATOM 648 CD GLU A 41 -13.242 -1.564 2.307 1.00 0.00 C ATOM 649 OE1 GLU A 41 -14.130 -2.353 2.691 1.00 0.00 O ATOM 650 OE2 GLU A 41 -13.182 -0.371 2.673 1.00 0.00 O ATOM 0 H GLU A 41 -10.936 -3.854 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.395 -4.256 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.004 -1.901 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.641 -1.723 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.779 -3.015 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.357 -1.366 1.314 1.00 0.00 H new ATOM 657 N SER A 42 -13.594 -4.186 -2.700 1.00 0.00 N ATOM 658 CA SER A 42 -14.496 -4.318 -3.836 1.00 0.00 C ATOM 659 C SER A 42 -13.998 -5.384 -4.798 1.00 0.00 C ATOM 660 O SER A 42 -13.419 -5.076 -5.840 1.00 0.00 O ATOM 661 CB SER A 42 -14.632 -2.990 -4.578 1.00 0.00 C ATOM 662 OG SER A 42 -15.685 -2.209 -4.041 1.00 0.00 O ATOM 0 H SER A 42 -12.613 -4.362 -2.916 1.00 0.00 H new ATOM 0 HA SER A 42 -15.472 -4.612 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.695 -2.436 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.818 -3.178 -5.635 1.00 0.00 H new ATOM 0 HG SER A 42 -15.814 -2.439 -3.097 1.00 0.00 H new ATOM 668 N LYS A 43 -14.232 -6.642 -4.450 1.00 0.00 N ATOM 669 CA LYS A 43 -13.812 -7.752 -5.294 1.00 0.00 C ATOM 670 C LYS A 43 -14.797 -7.969 -6.442 1.00 0.00 C ATOM 671 O LYS A 43 -15.168 -9.103 -6.748 1.00 0.00 O ATOM 672 CB LYS A 43 -13.686 -9.030 -4.464 1.00 0.00 C ATOM 673 CG LYS A 43 -12.500 -9.899 -4.860 1.00 0.00 C ATOM 674 CD LYS A 43 -12.918 -11.341 -5.099 1.00 0.00 C ATOM 675 CE LYS A 43 -12.848 -12.161 -3.821 1.00 0.00 C ATOM 676 NZ LYS A 43 -13.703 -13.378 -3.893 1.00 0.00 N ATOM 0 H LYS A 43 -14.709 -6.919 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.839 -7.505 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.594 -8.762 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.602 -9.612 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.040 -9.498 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.744 -9.864 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.934 -11.366 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.272 -11.788 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.815 -12.454 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.162 -11.546 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.627 -13.909 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.693 -13.098 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.387 -13.978 -4.682 1.00 0.00 H new ATOM 690 N GLY A 44 -15.221 -6.876 -7.078 1.00 0.00 N ATOM 691 CA GLY A 44 -16.157 -6.980 -8.182 1.00 0.00 C ATOM 692 C GLY A 44 -15.483 -6.825 -9.531 1.00 0.00 C ATOM 693 O GLY A 44 -14.403 -7.369 -9.758 1.00 0.00 O ATOM 0 H GLY A 44 -14.933 -5.925 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.659 -7.947 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -16.927 -6.216 -8.074 1.00 0.00 H new ATOM 697 N GLU A 45 -16.122 -6.081 -10.427 1.00 0.00 N ATOM 698 CA GLU A 45 -15.578 -5.856 -11.762 1.00 0.00 C ATOM 699 C GLU A 45 -15.985 -4.485 -12.291 1.00 0.00 C ATOM 700 O GLU A 45 -15.154 -3.734 -12.804 1.00 0.00 O ATOM 701 CB GLU A 45 -16.056 -6.948 -12.720 1.00 0.00 C ATOM 702 CG GLU A 45 -15.730 -8.356 -12.250 1.00 0.00 C ATOM 703 CD GLU A 45 -15.663 -9.351 -13.392 1.00 0.00 C ATOM 704 OE1 GLU A 45 -16.153 -10.487 -13.219 1.00 0.00 O ATOM 705 OE2 GLU A 45 -15.119 -8.995 -14.458 1.00 0.00 O ATOM 0 H GLU A 45 -17.017 -5.623 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.491 -5.891 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.134 -6.858 -12.851 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.602 -6.786 -13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.775 -8.348 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.486 -8.680 -11.534 1.00 0.00 H new ATOM 712 N SER A 46 -17.268 -4.163 -12.163 1.00 0.00 N ATOM 713 CA SER A 46 -17.785 -2.882 -12.628 1.00 0.00 C ATOM 714 C SER A 46 -17.910 -1.894 -11.474 1.00 0.00 C ATOM 715 O SER A 46 -18.812 -1.057 -11.454 1.00 0.00 O ATOM 716 CB SER A 46 -19.145 -3.072 -13.302 1.00 0.00 C ATOM 717 OG SER A 46 -19.029 -3.854 -14.478 1.00 0.00 O ATOM 0 H SER A 46 -17.969 -4.772 -11.741 1.00 0.00 H new ATOM 0 HA SER A 46 -17.081 -2.476 -13.354 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.834 -3.554 -12.608 1.00 0.00 H new ATOM 0 HB3 SER A 46 -19.570 -2.099 -13.549 1.00 0.00 H new ATOM 0 HG SER A 46 -19.913 -3.961 -14.888 1.00 0.00 H new ATOM 723 N GLU A 47 -16.997 -1.997 -10.512 1.00 0.00 N ATOM 724 CA GLU A 47 -17.005 -1.112 -9.353 1.00 0.00 C ATOM 725 C GLU A 47 -15.803 -0.173 -9.378 1.00 0.00 C ATOM 726 O GLU A 47 -15.959 1.048 -9.407 1.00 0.00 O ATOM 727 CB GLU A 47 -16.999 -1.931 -8.060 1.00 0.00 C ATOM 728 CG GLU A 47 -18.233 -2.802 -7.886 1.00 0.00 C ATOM 729 CD GLU A 47 -19.438 -2.017 -7.406 1.00 0.00 C ATOM 730 OE1 GLU A 47 -20.544 -2.240 -7.941 1.00 0.00 O ATOM 731 OE2 GLU A 47 -19.274 -1.179 -6.495 1.00 0.00 O ATOM 0 H GLU A 47 -16.243 -2.684 -10.513 1.00 0.00 H new ATOM 0 HA GLU A 47 -17.914 -0.512 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.112 -2.565 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.920 -1.253 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -18.471 -3.282 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -18.014 -3.597 -7.173 1.00 0.00 H new ATOM 738 N VAL A 48 -14.606 -0.750 -9.367 1.00 0.00 N ATOM 739 CA VAL A 48 -13.378 0.035 -9.387 1.00 0.00 C ATOM 740 C VAL A 48 -12.526 -0.312 -10.604 1.00 0.00 C ATOM 741 O VAL A 48 -12.048 -1.438 -10.740 1.00 0.00 O ATOM 742 CB VAL A 48 -12.549 -0.186 -8.107 1.00 0.00 C ATOM 743 CG1 VAL A 48 -12.120 -1.641 -7.987 1.00 0.00 C ATOM 744 CG2 VAL A 48 -11.340 0.739 -8.084 1.00 0.00 C ATOM 0 H VAL A 48 -14.461 -1.759 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.671 1.084 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.176 0.053 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.536 -1.774 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.003 -2.279 -7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.513 -1.914 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.768 0.567 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.711 0.537 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.675 1.776 -8.112 1.00 0.00 H new ATOM 754 N SER A 49 -12.338 0.664 -11.487 1.00 0.00 N ATOM 755 CA SER A 49 -11.542 0.463 -12.692 1.00 0.00 C ATOM 756 C SER A 49 -11.008 1.792 -13.220 1.00 0.00 C ATOM 757 O SER A 49 -11.678 2.820 -13.127 1.00 0.00 O ATOM 758 CB SER A 49 -12.379 -0.228 -13.770 1.00 0.00 C ATOM 759 OG SER A 49 -13.420 -0.999 -13.194 1.00 0.00 O ATOM 0 H SER A 49 -12.726 1.602 -11.390 1.00 0.00 H new ATOM 0 HA SER A 49 -10.694 -0.172 -12.436 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.804 0.520 -14.439 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.739 -0.870 -14.375 1.00 0.00 H new ATOM 0 HG SER A 49 -13.940 -1.429 -13.905 1.00 0.00 H new ATOM 765 N PRO A 50 -9.786 1.790 -13.785 1.00 0.00 N ATOM 766 CA PRO A 50 -9.168 3.004 -14.328 1.00 0.00 C ATOM 767 C PRO A 50 -10.076 3.716 -15.325 1.00 0.00 C ATOM 768 O PRO A 50 -10.057 4.943 -15.430 1.00 0.00 O ATOM 769 CB PRO A 50 -7.910 2.483 -15.028 1.00 0.00 C ATOM 770 CG PRO A 50 -7.593 1.203 -14.336 1.00 0.00 C ATOM 771 CD PRO A 50 -8.916 0.610 -13.938 1.00 0.00 C ATOM 0 HA PRO A 50 -8.963 3.740 -13.551 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.086 2.325 -16.092 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.087 3.193 -14.943 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.045 0.529 -14.994 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.964 1.377 -13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.295 -0.073 -14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.840 0.044 -13.010 1.00 0.00 H new ATOM 779 N GLN A 51 -10.869 2.940 -16.055 1.00 0.00 N ATOM 780 CA GLN A 51 -11.784 3.496 -17.044 1.00 0.00 C ATOM 781 C GLN A 51 -13.210 3.535 -16.505 1.00 0.00 C ATOM 782 O GLN A 51 -14.138 3.786 -17.303 1.00 0.00 O ATOM 783 CB GLN A 51 -11.737 2.672 -18.333 1.00 0.00 C ATOM 784 CG GLN A 51 -10.346 2.569 -18.938 1.00 0.00 C ATOM 785 CD GLN A 51 -9.957 3.807 -19.722 1.00 0.00 C ATOM 786 OE1 GLN A 51 -9.523 4.807 -19.150 1.00 0.00 O ATOM 787 NE2 GLN A 51 -10.114 3.746 -21.039 1.00 0.00 N ATOM 788 OXT GLN A 51 -13.388 3.314 -15.288 1.00 0.00 O ATOM 0 H GLN A 51 -10.896 1.923 -15.980 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.468 4.517 -17.261 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.110 1.669 -18.127 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.410 3.118 -19.065 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.619 2.404 -18.142 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.303 1.700 -19.594 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.477 2.896 -21.470 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.871 4.549 -21.619 1.00 0.00 H new TER 797 GLN A 51