USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 409 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 8 ASN : amide:sc= 0.505 K(o=0.48,f=-2.8) USER MOD Set 1.2: A 55 THR OG1 : rot 140:sc= -0.0238 USER MOD Set 2.1: A 16 THR OG1 : rot 154:sc= 0.904 USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0.303 USER MOD Single : A 2 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 3 TYR OH : rot 0:sc= -1.86 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= -8.78! (180deg=-9.26!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 150:sc= 0 USER MOD Single : A 25 THR OG1 : rot -81:sc= -3.68! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.044) USER MOD Single : A 35 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.4) USER MOD Single : A 37 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 45 TYR OH : rot 60:sc= -0.407 USER MOD Single : A 49 THR OG1 : rot -123:sc= -1.55! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 63:sc= 0.104 USER MOD Single : A 53 THR OG1 : rot 170:sc= -3.98! USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -0.287 27.400 22.718 1.00 1.00 N ATOM 21 CA GLN A 2 -0.841 26.516 21.686 1.00 1.00 C ATOM 22 C GLN A 2 0.224 25.890 20.788 1.00 1.00 C ATOM 23 O GLN A 2 1.079 26.573 20.223 1.00 1.00 O ATOM 24 CB GLN A 2 -1.813 27.318 20.824 1.00 1.00 C ATOM 25 CG GLN A 2 -2.640 26.365 19.962 1.00 1.00 C ATOM 26 CD GLN A 2 -3.632 25.599 20.836 1.00 1.00 C ATOM 27 OE1 GLN A 2 -4.266 26.189 21.709 1.00 1.00 O ATOM 28 NE2 GLN A 2 -3.806 24.313 20.659 1.00 1.00 N ATOM 0 HA GLN A 2 -1.342 25.695 22.200 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.470 27.914 21.457 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.264 28.014 20.190 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -3.175 26.926 19.196 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -1.983 25.666 19.445 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -3.281 23.822 19.935 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -4.467 23.802 21.245 1.00 1.00 H new ATOM 37 N TYR A 3 0.110 24.563 20.646 1.00 1.00 N ATOM 38 CA TYR A 3 1.004 23.776 19.796 1.00 1.00 C ATOM 39 C TYR A 3 0.209 23.102 18.698 1.00 1.00 C ATOM 40 O TYR A 3 -1.007 22.940 18.810 1.00 1.00 O ATOM 41 CB TYR A 3 1.710 22.706 20.608 1.00 1.00 C ATOM 42 CG TYR A 3 2.272 23.335 21.833 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.442 23.525 22.936 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.608 23.739 21.869 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.942 24.125 24.081 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.110 24.335 23.019 1.00 1.00 C ATOM 47 CZ TYR A 3 3.273 24.526 24.123 1.00 1.00 C ATOM 48 OH TYR A 3 3.763 25.133 25.252 1.00 1.00 O ATOM 0 H TYR A 3 -0.604 24.008 21.118 1.00 1.00 H new ATOM 0 HA TYR A 3 1.743 24.451 19.365 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.013 21.912 20.876 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.504 22.247 20.020 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.411 23.205 22.899 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.246 23.589 21.010 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.301 24.280 24.936 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.142 24.650 23.060 1.00 1.00 H new ATOM 0 HH TYR A 3 3.050 25.204 25.921 1.00 1.00 H new ATOM 58 N LYS A 4 0.901 22.691 17.639 1.00 1.00 N ATOM 59 CA LYS A 4 0.256 22.011 16.512 1.00 1.00 C ATOM 60 C LYS A 4 1.058 20.766 16.156 1.00 1.00 C ATOM 61 O LYS A 4 2.277 20.745 16.275 1.00 1.00 O ATOM 62 CB LYS A 4 0.191 22.968 15.312 1.00 1.00 C ATOM 63 CG LYS A 4 -0.664 22.372 14.185 1.00 1.00 C ATOM 64 CD LYS A 4 -0.822 23.412 13.066 1.00 1.00 C ATOM 65 CE LYS A 4 -1.685 22.832 11.946 1.00 1.00 C ATOM 66 NZ LYS A 4 -1.556 23.683 10.729 1.00 1.00 N ATOM 0 H LYS A 4 1.908 22.815 17.535 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.758 21.715 16.782 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.228 23.924 15.626 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.198 23.167 14.945 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.194 21.469 13.795 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.642 22.082 14.569 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.281 24.319 13.460 1.00 1.00 H new ATOM 0 HD3 LYS A 4 0.156 23.694 12.676 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -1.374 21.811 11.724 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.727 22.786 12.262 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -2.143 23.289 9.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.873 24.649 10.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -0.562 23.705 10.425 1.00 1.00 H new ATOM 80 N LEU A 5 0.360 19.720 15.734 1.00 1.00 N ATOM 81 CA LEU A 5 1.000 18.460 15.373 1.00 1.00 C ATOM 82 C LEU A 5 0.800 18.209 13.879 1.00 1.00 C ATOM 83 O LEU A 5 -0.320 18.287 13.386 1.00 1.00 O ATOM 84 CB LEU A 5 0.338 17.311 16.166 1.00 1.00 C ATOM 85 CG LEU A 5 1.265 16.072 16.336 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.409 14.836 16.666 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.081 15.763 15.069 1.00 1.00 C ATOM 0 H LEU A 5 -0.655 19.719 15.633 1.00 1.00 H new ATOM 0 HA LEU A 5 2.064 18.507 15.604 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.047 17.678 17.151 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.576 17.006 15.657 1.00 1.00 H new ATOM 0 HG LEU A 5 1.961 16.305 17.141 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.056 13.967 16.786 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.140 15.010 17.592 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.296 14.655 15.855 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.709 14.890 15.245 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.403 15.561 14.240 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.710 16.619 14.823 1.00 1.00 H new ATOM 99 N ILE A 6 1.874 17.850 13.184 1.00 1.00 N ATOM 100 CA ILE A 6 1.788 17.513 11.751 1.00 1.00 C ATOM 101 C ILE A 6 1.984 16.011 11.626 1.00 1.00 C ATOM 102 O ILE A 6 2.909 15.435 12.184 1.00 1.00 O ATOM 103 CB ILE A 6 2.823 18.295 10.920 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.233 19.646 10.459 1.00 1.00 C ATOM 105 CG2 ILE A 6 3.226 17.492 9.670 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.464 20.350 11.586 1.00 1.00 C ATOM 0 H ILE A 6 2.812 17.782 13.578 1.00 1.00 H new ATOM 0 HA ILE A 6 0.814 17.799 11.354 1.00 1.00 H new ATOM 0 HB ILE A 6 3.696 18.465 11.550 1.00 1.00 H new ATOM 0 HG12 ILE A 6 3.038 20.293 10.109 1.00 1.00 H new ATOM 0 HG13 ILE A 6 1.566 19.481 9.613 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.958 18.058 9.094 1.00 1.00 H new ATOM 0 HG22 ILE A 6 3.662 16.540 9.974 1.00 1.00 H new ATOM 0 HG23 ILE A 6 2.344 17.308 9.056 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.066 21.296 11.219 1.00 1.00 H new ATOM 0 HD12 ILE A 6 0.643 19.715 11.918 1.00 1.00 H new ATOM 0 HD13 ILE A 6 2.137 20.540 12.422 1.00 1.00 H new ATOM 118 N LEU A 7 1.048 15.369 10.955 1.00 1.00 N ATOM 119 CA LEU A 7 1.056 13.929 10.829 1.00 1.00 C ATOM 120 C LEU A 7 1.411 13.412 9.448 1.00 1.00 C ATOM 121 O LEU A 7 0.719 13.701 8.470 1.00 1.00 O ATOM 122 CB LEU A 7 -0.349 13.475 11.176 1.00 1.00 C ATOM 123 CG LEU A 7 -0.640 13.846 12.639 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.162 13.939 12.878 1.00 1.00 C ATOM 125 CD2 LEU A 7 0.015 12.803 13.573 1.00 1.00 C ATOM 0 H LEU A 7 0.267 15.828 10.486 1.00 1.00 H new ATOM 0 HA LEU A 7 1.829 13.534 11.488 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.074 13.950 10.515 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.444 12.399 11.033 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.213 14.825 12.859 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.351 14.202 13.919 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.586 14.703 12.227 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.624 12.977 12.657 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.190 13.064 14.611 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.394 11.816 13.360 1.00 1.00 H new ATOM 0 HD23 LEU A 7 1.092 12.792 13.408 1.00 1.00 H new ATOM 137 N ASN A 8 2.442 12.569 9.391 1.00 1.00 N ATOM 138 CA ASN A 8 2.846 11.918 8.154 1.00 1.00 C ATOM 139 C ASN A 8 2.859 10.410 8.412 1.00 1.00 C ATOM 140 O ASN A 8 3.895 9.756 8.295 1.00 1.00 O ATOM 141 CB ASN A 8 4.248 12.375 7.728 1.00 1.00 C ATOM 142 CG ASN A 8 4.450 13.855 8.007 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.523 14.654 7.876 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.630 14.266 8.384 1.00 1.00 N ATOM 0 H ASN A 8 3.015 12.322 10.198 1.00 1.00 H new ATOM 0 HA ASN A 8 2.151 12.177 7.355 1.00 1.00 H new ATOM 0 HB2 ASN A 8 5.001 11.795 8.262 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.390 12.180 6.665 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.789 15.256 8.572 1.00 1.00 H new ATOM 0 HD22 ASN A 8 6.393 13.597 8.490 1.00 1.00 H new ATOM 151 N GLY A 9 1.713 9.850 8.785 1.00 1.00 N ATOM 152 CA GLY A 9 1.647 8.422 9.083 1.00 1.00 C ATOM 153 C GLY A 9 1.170 7.611 7.900 1.00 1.00 C ATOM 154 O GLY A 9 0.472 8.110 7.019 1.00 1.00 O ATOM 0 H GLY A 9 0.831 10.352 8.887 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.633 8.071 9.388 1.00 1.00 H new ATOM 0 HA3 GLY A 9 0.976 8.260 9.926 1.00 1.00 H new ATOM 158 N LYS A 10 1.570 6.346 7.897 1.00 1.00 N ATOM 159 CA LYS A 10 1.186 5.455 6.804 1.00 1.00 C ATOM 160 C LYS A 10 -0.293 5.099 6.905 1.00 1.00 C ATOM 161 O LYS A 10 -0.942 4.819 5.898 1.00 1.00 O ATOM 162 CB LYS A 10 2.038 4.178 6.830 1.00 1.00 C ATOM 163 CG LYS A 10 1.990 3.542 8.221 1.00 1.00 C ATOM 164 CD LYS A 10 2.925 2.333 8.257 1.00 1.00 C ATOM 165 CE LYS A 10 2.941 1.747 9.670 1.00 1.00 C ATOM 166 NZ LYS A 10 3.834 0.554 9.710 1.00 1.00 N ATOM 0 H LYS A 10 2.148 5.918 8.621 1.00 1.00 H new ATOM 0 HA LYS A 10 1.359 5.972 5.860 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.671 3.471 6.086 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.069 4.414 6.565 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.288 4.269 8.976 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.971 3.235 8.458 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.592 1.580 7.543 1.00 1.00 H new ATOM 0 HD3 LYS A 10 3.932 2.629 7.962 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.288 2.497 10.381 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.931 1.467 9.969 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.842 0.159 10.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.484 -0.164 9.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.799 0.834 9.442 1.00 1.00 H new ATOM 180 N THR A 11 -0.822 5.119 8.127 1.00 1.00 N ATOM 181 CA THR A 11 -2.233 4.810 8.360 1.00 1.00 C ATOM 182 C THR A 11 -2.977 6.054 8.835 1.00 1.00 C ATOM 183 O THR A 11 -4.201 6.134 8.730 1.00 1.00 O ATOM 184 CB THR A 11 -2.343 3.713 9.427 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.436 3.993 10.482 1.00 1.00 O ATOM 186 CG2 THR A 11 -2.004 2.350 8.813 1.00 1.00 C ATOM 0 H THR A 11 -0.296 5.346 8.971 1.00 1.00 H new ATOM 0 HA THR A 11 -2.679 4.467 7.427 1.00 1.00 H new ATOM 0 HB THR A 11 -3.362 3.688 9.813 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.505 3.295 11.166 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.084 1.577 9.577 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.700 2.133 8.002 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.987 2.370 8.422 1.00 1.00 H new ATOM 194 N LEU A 12 -2.231 7.019 9.376 1.00 1.00 N ATOM 195 CA LEU A 12 -2.830 8.245 9.883 1.00 1.00 C ATOM 196 C LEU A 12 -2.074 9.470 9.382 1.00 1.00 C ATOM 197 O LEU A 12 -0.870 9.601 9.579 1.00 1.00 O ATOM 198 CB LEU A 12 -2.836 8.179 11.406 1.00 1.00 C ATOM 199 CG LEU A 12 -3.438 9.467 12.001 1.00 1.00 C ATOM 200 CD1 LEU A 12 -4.051 9.158 13.384 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.356 10.566 12.123 1.00 1.00 C ATOM 0 H LEU A 12 -1.217 6.972 9.472 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.853 8.338 9.518 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.413 7.315 11.736 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.819 8.043 11.774 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.220 9.834 11.337 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.477 10.069 13.805 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.834 8.408 13.275 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.275 8.779 14.049 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.799 11.468 12.545 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.555 10.217 12.774 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.951 10.789 11.136 1.00 1.00 H new ATOM 213 N LYS A 13 -2.803 10.368 8.720 1.00 1.00 N ATOM 214 CA LYS A 13 -2.227 11.581 8.174 1.00 1.00 C ATOM 215 C LYS A 13 -3.119 12.790 8.478 1.00 1.00 C ATOM 216 O LYS A 13 -4.328 12.646 8.654 1.00 1.00 O ATOM 217 CB LYS A 13 -2.095 11.372 6.658 1.00 1.00 C ATOM 218 CG LYS A 13 -0.893 12.132 6.098 1.00 1.00 C ATOM 219 CD LYS A 13 -0.440 11.489 4.781 1.00 1.00 C ATOM 220 CE LYS A 13 0.313 10.161 5.019 1.00 1.00 C ATOM 221 NZ LYS A 13 1.208 10.267 6.206 1.00 1.00 N ATOM 0 H LYS A 13 -3.804 10.269 8.551 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.254 11.782 8.623 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -1.989 10.309 6.443 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -3.005 11.708 6.161 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -1.157 13.176 5.932 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.076 12.121 6.819 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.309 11.306 4.149 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.206 12.182 4.242 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -0.403 9.353 5.169 1.00 1.00 H new ATOM 0 HE3 LYS A 13 0.900 9.907 4.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 1.627 9.337 6.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 1.965 10.952 6.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 0.657 10.586 7.029 1.00 1.00 H new ATOM 235 N GLY A 14 -2.518 13.986 8.516 1.00 1.00 N ATOM 236 CA GLY A 14 -3.276 15.212 8.775 1.00 1.00 C ATOM 237 C GLY A 14 -2.570 16.114 9.789 1.00 1.00 C ATOM 238 O GLY A 14 -1.343 16.207 9.808 1.00 1.00 O ATOM 0 H GLY A 14 -1.518 14.128 8.372 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.417 15.756 7.841 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.268 14.954 9.147 1.00 1.00 H new ATOM 242 N GLU A 15 -3.364 16.796 10.618 1.00 1.00 N ATOM 243 CA GLU A 15 -2.829 17.709 11.620 1.00 1.00 C ATOM 244 C GLU A 15 -3.694 17.670 12.875 1.00 1.00 C ATOM 245 O GLU A 15 -4.864 17.291 12.826 1.00 1.00 O ATOM 246 CB GLU A 15 -2.802 19.150 11.080 1.00 1.00 C ATOM 247 CG GLU A 15 -1.729 19.316 9.979 1.00 1.00 C ATOM 248 CD GLU A 15 -2.288 18.958 8.606 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.413 18.488 8.549 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.588 19.165 7.629 1.00 1.00 O ATOM 0 H GLU A 15 -4.382 16.730 10.612 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.813 17.394 11.859 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.782 19.409 10.678 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.599 19.843 11.896 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.369 20.345 9.971 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -0.873 18.680 10.203 1.00 1.00 H new ATOM 257 N THR A 16 -3.105 18.051 14.003 1.00 1.00 N ATOM 258 CA THR A 16 -3.816 18.043 15.287 1.00 1.00 C ATOM 259 C THR A 16 -3.318 19.209 16.160 1.00 1.00 C ATOM 260 O THR A 16 -2.172 19.629 16.029 1.00 1.00 O ATOM 261 CB THR A 16 -3.595 16.664 15.944 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.659 15.800 15.572 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.531 16.751 17.471 1.00 1.00 C ATOM 0 H THR A 16 -2.138 18.370 14.060 1.00 1.00 H new ATOM 0 HA THR A 16 -4.888 18.190 15.154 1.00 1.00 H new ATOM 0 HB THR A 16 -2.637 16.279 15.595 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.353 14.870 15.608 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.374 15.755 17.886 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.706 17.400 17.764 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.467 17.160 17.852 1.00 1.00 H new ATOM 271 N THR A 17 -4.188 19.746 17.034 1.00 1.00 N ATOM 272 CA THR A 17 -3.799 20.886 17.894 1.00 1.00 C ATOM 273 C THR A 17 -4.159 20.669 19.365 1.00 1.00 C ATOM 274 O THR A 17 -5.214 20.120 19.689 1.00 1.00 O ATOM 275 CB THR A 17 -4.482 22.170 17.409 1.00 1.00 C ATOM 276 OG1 THR A 17 -5.870 21.929 17.227 1.00 1.00 O ATOM 277 CG2 THR A 17 -3.863 22.620 16.089 1.00 1.00 C ATOM 0 H THR A 17 -5.146 19.420 17.165 1.00 1.00 H new ATOM 0 HA THR A 17 -2.715 20.972 17.820 1.00 1.00 H new ATOM 0 HB THR A 17 -4.343 22.954 18.154 1.00 1.00 H new ATOM 0 HG1 THR A 17 -6.307 22.750 16.919 1.00 1.00 H new ATOM 0 HG21 THR A 17 -4.353 23.533 15.750 1.00 1.00 H new ATOM 0 HG22 THR A 17 -2.799 22.811 16.232 1.00 1.00 H new ATOM 0 HG23 THR A 17 -3.994 21.838 15.341 1.00 1.00 H new ATOM 285 N THR A 18 -3.266 21.123 20.251 1.00 1.00 N ATOM 286 CA THR A 18 -3.478 21.011 21.692 1.00 1.00 C ATOM 287 C THR A 18 -2.815 22.179 22.412 1.00 1.00 C ATOM 288 O THR A 18 -1.792 22.693 21.957 1.00 1.00 O ATOM 289 CB THR A 18 -2.909 19.694 22.227 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.618 19.326 23.403 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.418 19.837 22.562 1.00 1.00 C ATOM 0 H THR A 18 -2.388 21.572 19.991 1.00 1.00 H new ATOM 0 HA THR A 18 -4.552 21.030 21.878 1.00 1.00 H new ATOM 0 HB THR A 18 -3.020 18.928 21.459 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.634 18.349 23.483 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.037 18.888 22.940 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.868 20.116 21.663 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.288 20.608 23.321 1.00 1.00 H new ATOM 299 N GLU A 19 -3.368 22.574 23.549 1.00 1.00 N ATOM 300 CA GLU A 19 -2.776 23.653 24.323 1.00 1.00 C ATOM 301 C GLU A 19 -2.033 23.055 25.505 1.00 1.00 C ATOM 302 O GLU A 19 -2.530 22.145 26.167 1.00 1.00 O ATOM 303 CB GLU A 19 -3.862 24.610 24.811 1.00 1.00 C ATOM 304 CG GLU A 19 -3.228 25.951 25.176 1.00 1.00 C ATOM 305 CD GLU A 19 -4.291 26.869 25.771 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.355 26.372 26.104 1.00 1.00 O ATOM 307 OE2 GLU A 19 -4.027 28.054 25.889 1.00 1.00 O ATOM 0 H GLU A 19 -4.214 22.170 23.951 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.082 24.215 23.699 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.615 24.750 24.035 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.372 24.188 25.677 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.420 25.801 25.892 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.789 26.411 24.291 1.00 1.00 H new ATOM 314 N ALA A 20 -0.831 23.554 25.751 1.00 1.00 N ATOM 315 CA ALA A 20 0.000 23.050 26.839 1.00 1.00 C ATOM 316 C ALA A 20 0.743 24.185 27.529 1.00 1.00 C ATOM 317 O ALA A 20 0.853 25.292 27.000 1.00 1.00 O ATOM 318 CB ALA A 20 0.991 21.997 26.302 1.00 1.00 C ATOM 0 H ALA A 20 -0.407 24.309 25.212 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.647 22.578 27.578 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.607 21.626 27.121 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.437 21.168 25.860 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.630 22.451 25.544 1.00 1.00 H new ATOM 324 N VAL A 21 1.266 23.887 28.704 1.00 1.00 N ATOM 325 CA VAL A 21 2.022 24.864 29.457 1.00 1.00 C ATOM 326 C VAL A 21 3.321 25.130 28.728 1.00 1.00 C ATOM 327 O VAL A 21 3.784 26.266 28.638 1.00 1.00 O ATOM 328 CB VAL A 21 2.321 24.337 30.860 1.00 1.00 C ATOM 329 CG1 VAL A 21 3.021 22.982 30.766 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.236 25.320 31.591 1.00 1.00 C ATOM 0 H VAL A 21 1.180 22.976 29.155 1.00 1.00 H new ATOM 0 HA VAL A 21 1.443 25.783 29.549 1.00 1.00 H new ATOM 0 HB VAL A 21 1.384 24.227 31.406 1.00 1.00 H new ATOM 0 HG11 VAL A 21 3.232 22.611 31.769 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.376 22.274 30.246 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.956 23.093 30.216 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.449 24.944 32.592 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.169 25.429 31.038 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.743 26.289 31.665 1.00 1.00 H new ATOM 340 N ASP A 22 3.903 24.060 28.216 1.00 1.00 N ATOM 341 CA ASP A 22 5.161 24.145 27.494 1.00 1.00 C ATOM 342 C ASP A 22 5.269 22.984 26.512 1.00 1.00 C ATOM 343 O ASP A 22 4.348 22.179 26.380 1.00 1.00 O ATOM 344 CB ASP A 22 6.321 24.075 28.492 1.00 1.00 C ATOM 345 CG ASP A 22 6.316 22.735 29.226 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.573 21.855 28.822 1.00 1.00 O ATOM 347 OD2 ASP A 22 7.061 22.609 30.183 1.00 1.00 O ATOM 0 H ASP A 22 3.522 23.117 28.287 1.00 1.00 H new ATOM 0 HA ASP A 22 5.202 25.086 26.946 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.268 24.206 27.968 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.240 24.890 29.211 1.00 1.00 H new ATOM 352 N ALA A 23 6.411 22.890 25.841 1.00 1.00 N ATOM 353 CA ALA A 23 6.645 21.809 24.896 1.00 1.00 C ATOM 354 C ALA A 23 6.794 20.492 25.646 1.00 1.00 C ATOM 355 O ALA A 23 6.387 19.436 25.163 1.00 1.00 O ATOM 356 CB ALA A 23 7.907 22.092 24.077 1.00 1.00 C ATOM 0 H ALA A 23 7.185 23.547 25.934 1.00 1.00 H new ATOM 0 HA ALA A 23 5.795 21.738 24.218 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.074 21.277 23.372 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.783 23.026 23.529 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.764 22.175 24.746 1.00 1.00 H new ATOM 362 N ALA A 24 7.376 20.576 26.838 1.00 1.00 N ATOM 363 CA ALA A 24 7.578 19.397 27.670 1.00 1.00 C ATOM 364 C ALA A 24 6.253 18.648 27.827 1.00 1.00 C ATOM 365 O ALA A 24 6.230 17.425 27.931 1.00 1.00 O ATOM 366 CB ALA A 24 8.108 19.810 29.046 1.00 1.00 C ATOM 0 H ALA A 24 7.715 21.446 27.248 1.00 1.00 H new ATOM 0 HA ALA A 24 8.308 18.743 27.193 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.256 18.922 29.661 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.058 20.332 28.928 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.388 20.470 29.530 1.00 1.00 H new ATOM 372 N THR A 25 5.149 19.398 27.844 1.00 1.00 N ATOM 373 CA THR A 25 3.823 18.798 27.996 1.00 1.00 C ATOM 374 C THR A 25 3.249 18.424 26.629 1.00 1.00 C ATOM 375 O THR A 25 2.825 17.288 26.413 1.00 1.00 O ATOM 376 CB THR A 25 2.862 19.778 28.705 1.00 1.00 C ATOM 377 OG1 THR A 25 3.074 21.086 28.195 1.00 1.00 O ATOM 378 CG2 THR A 25 3.100 19.785 30.225 1.00 1.00 C ATOM 0 H THR A 25 5.147 20.414 27.755 1.00 1.00 H new ATOM 0 HA THR A 25 3.926 17.898 28.602 1.00 1.00 H new ATOM 0 HB THR A 25 1.838 19.456 28.517 1.00 1.00 H new ATOM 0 HG1 THR A 25 3.854 21.486 28.634 1.00 1.00 H new ATOM 0 HG21 THR A 25 2.410 20.484 30.698 1.00 1.00 H new ATOM 0 HG22 THR A 25 2.934 18.784 30.624 1.00 1.00 H new ATOM 0 HG23 THR A 25 4.125 20.092 30.431 1.00 1.00 H new ATOM 386 N ALA A 26 3.207 19.390 25.723 1.00 1.00 N ATOM 387 CA ALA A 26 2.647 19.147 24.400 1.00 1.00 C ATOM 388 C ALA A 26 3.306 17.938 23.725 1.00 1.00 C ATOM 389 O ALA A 26 2.643 17.190 23.008 1.00 1.00 O ATOM 390 CB ALA A 26 2.836 20.393 23.528 1.00 1.00 C ATOM 0 H ALA A 26 3.549 20.339 25.876 1.00 1.00 H new ATOM 0 HA ALA A 26 1.585 18.930 24.515 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.417 20.211 22.538 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.326 21.240 23.988 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.899 20.615 23.437 1.00 1.00 H new ATOM 396 N GLU A 27 4.607 17.758 23.944 1.00 1.00 N ATOM 397 CA GLU A 27 5.323 16.637 23.320 1.00 1.00 C ATOM 398 C GLU A 27 4.745 15.287 23.760 1.00 1.00 C ATOM 399 O GLU A 27 4.520 14.404 22.938 1.00 1.00 O ATOM 400 CB GLU A 27 6.840 16.710 23.636 1.00 1.00 C ATOM 401 CG GLU A 27 7.181 16.058 24.986 1.00 1.00 C ATOM 402 CD GLU A 27 8.649 16.308 25.345 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.464 16.346 24.438 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.931 16.452 26.523 1.00 1.00 O ATOM 0 H GLU A 27 5.181 18.358 24.536 1.00 1.00 H new ATOM 0 HA GLU A 27 5.189 16.720 22.241 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.399 16.214 22.843 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.158 17.753 23.647 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.536 16.463 25.766 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.989 14.986 24.938 1.00 1.00 H new ATOM 411 N LYS A 28 4.530 15.132 25.060 1.00 1.00 N ATOM 412 CA LYS A 28 4.008 13.877 25.594 1.00 1.00 C ATOM 413 C LYS A 28 2.543 13.690 25.221 1.00 1.00 C ATOM 414 O LYS A 28 2.076 12.564 25.060 1.00 1.00 O ATOM 415 CB LYS A 28 4.188 13.840 27.114 1.00 1.00 C ATOM 416 CG LYS A 28 5.659 13.551 27.441 1.00 1.00 C ATOM 417 CD LYS A 28 5.877 13.516 28.962 1.00 1.00 C ATOM 418 CE LYS A 28 6.040 14.942 29.510 1.00 1.00 C ATOM 419 NZ LYS A 28 6.407 14.885 30.971 1.00 1.00 N ATOM 0 H LYS A 28 4.707 15.852 25.761 1.00 1.00 H new ATOM 0 HA LYS A 28 4.570 13.054 25.153 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.886 14.792 27.551 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.549 13.072 27.549 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.954 12.597 27.004 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.294 14.316 26.994 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.032 13.027 29.446 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.763 12.926 29.196 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.812 15.471 28.951 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.113 15.501 29.379 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.517 15.851 31.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.656 14.396 31.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 7.302 14.368 31.084 1.00 1.00 H new ATOM 433 N VAL A 29 1.822 14.792 25.097 1.00 1.00 N ATOM 434 CA VAL A 29 0.405 14.730 24.757 1.00 1.00 C ATOM 435 C VAL A 29 0.214 14.288 23.304 1.00 1.00 C ATOM 436 O VAL A 29 -0.655 13.465 23.014 1.00 1.00 O ATOM 437 CB VAL A 29 -0.247 16.102 24.970 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.693 16.073 24.461 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.243 16.443 26.462 1.00 1.00 C ATOM 0 H VAL A 29 2.189 15.735 25.225 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.071 13.998 25.409 1.00 1.00 H new ATOM 0 HB VAL A 29 0.316 16.856 24.420 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.152 17.050 24.614 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.700 15.832 23.398 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.256 15.317 25.008 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.706 17.418 26.614 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.804 15.686 27.010 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.784 16.469 26.827 1.00 1.00 H new ATOM 449 N PHE A 30 1.018 14.831 22.396 1.00 1.00 N ATOM 450 CA PHE A 30 0.890 14.466 20.987 1.00 1.00 C ATOM 451 C PHE A 30 1.328 13.029 20.748 1.00 1.00 C ATOM 452 O PHE A 30 0.691 12.298 19.987 1.00 1.00 O ATOM 453 CB PHE A 30 1.759 15.367 20.111 1.00 1.00 C ATOM 454 CG PHE A 30 1.212 16.781 20.034 1.00 1.00 C ATOM 455 CD1 PHE A 30 -0.121 17.019 19.644 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.053 17.866 20.312 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.593 18.328 19.531 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.568 19.173 20.204 1.00 1.00 C ATOM 459 CZ PHE A 30 0.246 19.400 19.808 1.00 1.00 C ATOM 0 H PHE A 30 1.750 15.511 22.602 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.162 14.583 20.726 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.773 15.391 20.509 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.821 14.947 19.107 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.778 16.188 19.432 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.077 17.693 20.610 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.614 18.508 19.227 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.215 20.008 20.427 1.00 1.00 H new ATOM 0 HZ PHE A 30 -0.123 20.411 19.717 1.00 1.00 H new ATOM 469 N LYS A 31 2.411 12.627 21.389 1.00 1.00 N ATOM 470 CA LYS A 31 2.908 11.276 21.218 1.00 1.00 C ATOM 471 C LYS A 31 1.894 10.303 21.780 1.00 1.00 C ATOM 472 O LYS A 31 1.654 9.239 21.211 1.00 1.00 O ATOM 473 CB LYS A 31 4.248 11.137 21.933 1.00 1.00 C ATOM 474 CG LYS A 31 5.267 12.025 21.217 1.00 1.00 C ATOM 475 CD LYS A 31 6.574 12.073 22.010 1.00 1.00 C ATOM 476 CE LYS A 31 7.559 13.035 21.332 1.00 1.00 C ATOM 477 NZ LYS A 31 8.526 13.537 22.344 1.00 1.00 N ATOM 0 H LYS A 31 2.956 13.209 22.025 1.00 1.00 H new ATOM 0 HA LYS A 31 3.056 11.057 20.160 1.00 1.00 H new ATOM 0 HB2 LYS A 31 4.154 11.433 22.978 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.577 10.098 21.925 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.455 11.640 20.215 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.866 13.032 21.102 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.378 12.399 23.032 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.010 11.076 22.071 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.088 12.525 20.527 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.020 13.868 20.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 9.196 14.190 21.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.012 14.037 23.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 9.047 12.736 22.754 1.00 1.00 H new ATOM 491 N GLN A 32 1.272 10.688 22.884 1.00 1.00 N ATOM 492 CA GLN A 32 0.252 9.849 23.476 1.00 1.00 C ATOM 493 C GLN A 32 -0.881 9.688 22.482 1.00 1.00 C ATOM 494 O GLN A 32 -1.365 8.591 22.247 1.00 1.00 O ATOM 495 CB GLN A 32 -0.303 10.465 24.758 1.00 1.00 C ATOM 496 CG GLN A 32 -1.509 9.638 25.237 1.00 1.00 C ATOM 497 CD GLN A 32 -1.833 9.989 26.683 1.00 1.00 C ATOM 498 OE1 GLN A 32 -2.751 9.418 27.269 1.00 1.00 O ATOM 499 NE2 GLN A 32 -1.118 10.898 27.300 1.00 1.00 N ATOM 0 H GLN A 32 1.454 11.562 23.378 1.00 1.00 H new ATOM 0 HA GLN A 32 0.698 8.886 23.723 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.468 10.486 25.529 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -0.603 11.497 24.579 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.373 9.837 24.603 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.289 8.574 25.152 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.358 11.369 26.809 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -1.322 11.135 28.271 1.00 1.00 H new ATOM 508 N TYR A 33 -1.299 10.812 21.914 1.00 1.00 N ATOM 509 CA TYR A 33 -2.388 10.825 20.953 1.00 1.00 C ATOM 510 C TYR A 33 -2.052 9.920 19.761 1.00 1.00 C ATOM 511 O TYR A 33 -2.829 9.031 19.405 1.00 1.00 O ATOM 512 CB TYR A 33 -2.613 12.296 20.525 1.00 1.00 C ATOM 513 CG TYR A 33 -3.064 12.424 19.088 1.00 1.00 C ATOM 514 CD1 TYR A 33 -2.097 12.564 18.078 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.425 12.440 18.767 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.498 12.716 16.750 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.821 12.597 17.432 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.857 12.736 16.426 1.00 1.00 C ATOM 519 OH TYR A 33 -4.252 12.898 15.114 1.00 1.00 O ATOM 0 H TYR A 33 -0.896 11.729 22.105 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.307 10.433 21.390 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.359 12.750 21.177 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.688 12.855 20.662 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.047 12.554 18.329 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.167 12.332 19.544 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.757 12.818 15.971 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.871 12.611 17.179 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.231 12.888 15.063 1.00 1.00 H new ATOM 529 N ALA A 34 -0.890 10.133 19.165 1.00 1.00 N ATOM 530 CA ALA A 34 -0.468 9.322 18.041 1.00 1.00 C ATOM 531 C ALA A 34 -0.357 7.845 18.459 1.00 1.00 C ATOM 532 O ALA A 34 -0.795 6.961 17.732 1.00 1.00 O ATOM 533 CB ALA A 34 0.883 9.854 17.526 1.00 1.00 C ATOM 0 H ALA A 34 -0.227 10.857 19.441 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.206 9.383 17.241 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.212 9.252 16.679 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.769 10.891 17.211 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.625 9.796 18.323 1.00 1.00 H new ATOM 539 N ASN A 35 0.225 7.591 19.633 1.00 1.00 N ATOM 540 CA ASN A 35 0.364 6.221 20.116 1.00 1.00 C ATOM 541 C ASN A 35 -1.025 5.674 20.422 1.00 1.00 C ATOM 542 O ASN A 35 -1.368 4.545 20.081 1.00 1.00 O ATOM 543 CB ASN A 35 1.222 6.186 21.381 1.00 1.00 C ATOM 544 CG ASN A 35 1.369 4.753 21.871 1.00 1.00 C ATOM 545 OD1 ASN A 35 0.415 4.170 22.386 1.00 1.00 O ATOM 546 ND2 ASN A 35 2.517 4.146 21.735 1.00 1.00 N ATOM 0 H ASN A 35 0.601 8.305 20.256 1.00 1.00 H new ATOM 0 HA ASN A 35 0.851 5.612 19.354 1.00 1.00 H new ATOM 0 HB2 ASN A 35 2.204 6.611 21.176 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.765 6.799 22.157 1.00 1.00 H new ATOM 0 HD21 ASN A 35 2.626 3.184 22.056 1.00 1.00 H new ATOM 0 HD22 ASN A 35 3.304 4.634 21.308 1.00 1.00 H new ATOM 553 N ASP A 36 -1.817 6.531 21.050 1.00 1.00 N ATOM 554 CA ASP A 36 -3.187 6.228 21.406 1.00 1.00 C ATOM 555 C ASP A 36 -4.026 6.058 20.157 1.00 1.00 C ATOM 556 O ASP A 36 -5.146 5.552 20.227 1.00 1.00 O ATOM 557 CB ASP A 36 -3.780 7.316 22.288 1.00 1.00 C ATOM 558 CG ASP A 36 -3.130 7.263 23.661 1.00 1.00 C ATOM 559 OD1 ASP A 36 -2.032 6.738 23.756 1.00 1.00 O ATOM 560 OD2 ASP A 36 -3.750 7.722 24.604 1.00 1.00 O ATOM 0 H ASP A 36 -1.519 7.466 21.328 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.190 5.295 21.970 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -3.620 8.294 21.835 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -4.858 7.179 22.378 1.00 1.00 H new ATOM 565 N ASN A 37 -3.472 6.461 18.998 1.00 1.00 N ATOM 566 CA ASN A 37 -4.199 6.300 17.732 1.00 1.00 C ATOM 567 C ASN A 37 -3.523 5.247 16.839 1.00 1.00 C ATOM 568 O ASN A 37 -3.892 5.088 15.676 1.00 1.00 O ATOM 569 CB ASN A 37 -4.230 7.641 16.991 1.00 1.00 C ATOM 570 CG ASN A 37 -5.226 8.593 17.642 1.00 1.00 C ATOM 571 OD1 ASN A 37 -6.003 8.195 18.506 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.248 9.843 17.260 1.00 1.00 N ATOM 0 H ASN A 37 -2.550 6.888 18.914 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.213 5.968 17.956 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.236 8.088 16.996 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.502 7.480 15.948 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.913 10.493 17.680 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.601 10.168 16.542 1.00 1.00 H new ATOM 579 N GLY A 38 -2.538 4.525 17.383 1.00 1.00 N ATOM 580 CA GLY A 38 -1.823 3.493 16.626 1.00 1.00 C ATOM 581 C GLY A 38 -0.662 4.065 15.808 1.00 1.00 C ATOM 582 O GLY A 38 -0.016 3.337 15.053 1.00 1.00 O ATOM 0 H GLY A 38 -2.218 4.636 18.345 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -1.441 2.740 17.316 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.521 2.988 15.957 1.00 1.00 H new ATOM 586 N VAL A 39 -0.385 5.355 15.964 1.00 1.00 N ATOM 587 CA VAL A 39 0.722 5.943 15.211 1.00 1.00 C ATOM 588 C VAL A 39 2.040 5.826 15.979 1.00 1.00 C ATOM 589 O VAL A 39 2.143 6.197 17.148 1.00 1.00 O ATOM 590 CB VAL A 39 0.428 7.407 14.932 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.400 7.949 13.890 1.00 1.00 C ATOM 592 CG2 VAL A 39 -1.006 7.554 14.417 1.00 1.00 C ATOM 0 H VAL A 39 -0.888 5.994 16.579 1.00 1.00 H new ATOM 0 HA VAL A 39 0.822 5.397 14.273 1.00 1.00 H new ATOM 0 HB VAL A 39 0.545 7.973 15.856 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.180 8.999 13.698 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.421 7.854 14.261 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.296 7.382 12.965 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.215 8.605 14.217 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.123 6.980 13.498 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.702 7.182 15.168 1.00 1.00 H new ATOM 602 N ASP A 40 3.047 5.316 15.260 1.00 1.00 N ATOM 603 CA ASP A 40 4.402 5.140 15.768 1.00 1.00 C ATOM 604 C ASP A 40 5.369 5.568 14.670 1.00 1.00 C ATOM 605 O ASP A 40 5.489 4.865 13.666 1.00 1.00 O ATOM 606 CB ASP A 40 4.625 3.661 16.107 1.00 1.00 C ATOM 607 CG ASP A 40 5.907 3.478 16.913 1.00 1.00 C ATOM 608 OD1 ASP A 40 6.745 4.363 16.875 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.036 2.443 17.547 1.00 1.00 O ATOM 0 H ASP A 40 2.936 5.011 14.293 1.00 1.00 H new ATOM 0 HA ASP A 40 4.561 5.737 16.666 1.00 1.00 H new ATOM 0 HB2 ASP A 40 3.776 3.281 16.675 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.681 3.077 15.188 1.00 1.00 H new ATOM 614 N GLY A 41 6.061 6.686 14.828 1.00 1.00 N ATOM 615 CA GLY A 41 6.992 7.125 13.788 1.00 1.00 C ATOM 616 C GLY A 41 8.193 7.859 14.365 1.00 1.00 C ATOM 617 O GLY A 41 8.598 7.623 15.501 1.00 1.00 O ATOM 0 H GLY A 41 6.002 7.296 15.643 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.335 6.260 13.221 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.471 7.778 13.088 1.00 1.00 H new ATOM 621 N GLU A 42 8.750 8.767 13.564 1.00 1.00 N ATOM 622 CA GLU A 42 9.890 9.557 13.980 1.00 1.00 C ATOM 623 C GLU A 42 9.347 10.908 14.380 1.00 1.00 C ATOM 624 O GLU A 42 8.429 11.404 13.753 1.00 1.00 O ATOM 625 CB GLU A 42 10.862 9.707 12.814 1.00 1.00 C ATOM 626 CG GLU A 42 11.412 8.331 12.438 1.00 1.00 C ATOM 627 CD GLU A 42 12.344 8.465 11.240 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.516 9.579 10.773 1.00 1.00 O ATOM 629 OE2 GLU A 42 12.868 7.455 10.803 1.00 1.00 O ATOM 0 H GLU A 42 8.422 8.968 12.619 1.00 1.00 H new ATOM 0 HA GLU A 42 10.425 9.087 14.806 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.356 10.156 11.959 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.678 10.375 13.089 1.00 1.00 H new ATOM 0 HG2 GLU A 42 11.948 7.899 13.283 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.592 7.653 12.200 1.00 1.00 H new ATOM 636 N TRP A 43 9.875 11.459 15.459 1.00 1.00 N ATOM 637 CA TRP A 43 9.386 12.727 16.001 1.00 1.00 C ATOM 638 C TRP A 43 10.428 13.822 16.024 1.00 1.00 C ATOM 639 O TRP A 43 11.614 13.600 16.268 1.00 1.00 O ATOM 640 CB TRP A 43 8.916 12.513 17.431 1.00 1.00 C ATOM 641 CG TRP A 43 7.667 11.719 17.424 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.579 10.377 17.272 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.317 12.206 17.592 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.243 10.009 17.329 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.431 11.109 17.535 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.787 13.488 17.794 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.063 11.282 17.672 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.411 13.670 17.926 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.543 12.567 17.866 1.00 1.00 C ATOM 0 H TRP A 43 10.648 11.050 15.984 1.00 1.00 H new ATOM 0 HA TRP A 43 8.580 13.046 15.341 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.685 11.996 18.005 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.747 13.474 17.917 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.412 9.704 17.130 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.904 9.052 17.232 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.449 14.340 17.848 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.401 10.430 17.629 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 4.011 14.662 18.075 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.478 12.710 17.969 1.00 1.00 H new ATOM 660 N THR A 44 9.926 15.018 15.765 1.00 1.00 N ATOM 661 CA THR A 44 10.724 16.234 15.749 1.00 1.00 C ATOM 662 C THR A 44 9.913 17.374 16.361 1.00 1.00 C ATOM 663 O THR A 44 8.685 17.320 16.370 1.00 1.00 O ATOM 664 CB THR A 44 11.024 16.572 14.300 1.00 1.00 C ATOM 665 OG1 THR A 44 11.453 17.924 14.203 1.00 1.00 O ATOM 666 CG2 THR A 44 9.739 16.373 13.498 1.00 1.00 C ATOM 0 H THR A 44 8.940 15.174 15.557 1.00 1.00 H new ATOM 0 HA THR A 44 11.645 16.095 16.316 1.00 1.00 H new ATOM 0 HB THR A 44 11.815 15.930 13.912 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.648 18.139 13.267 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.924 16.609 12.450 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.413 15.337 13.585 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.962 17.031 13.886 1.00 1.00 H new ATOM 674 N TYR A 45 10.574 18.424 16.851 1.00 1.00 N ATOM 675 CA TYR A 45 9.834 19.554 17.422 1.00 1.00 C ATOM 676 C TYR A 45 10.508 20.887 17.140 1.00 1.00 C ATOM 677 O TYR A 45 11.724 21.029 17.273 1.00 1.00 O ATOM 678 CB TYR A 45 9.665 19.370 18.934 1.00 1.00 C ATOM 679 CG TYR A 45 9.085 20.629 19.555 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.818 21.064 19.178 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.820 21.338 20.516 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.279 22.220 19.761 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.280 22.486 21.100 1.00 1.00 C ATOM 684 CZ TYR A 45 8.010 22.930 20.722 1.00 1.00 C ATOM 685 OH TYR A 45 7.475 24.061 21.307 1.00 1.00 O ATOM 0 H TYR A 45 11.590 18.518 16.866 1.00 1.00 H new ATOM 0 HA TYR A 45 8.856 19.570 16.941 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.009 18.522 19.133 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.629 19.142 19.390 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.253 20.514 18.440 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.803 20.996 20.804 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.298 22.564 19.468 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.844 23.030 21.843 1.00 1.00 H new ATOM 0 HH TYR A 45 6.643 23.828 21.769 1.00 1.00 H new ATOM 695 N ASP A 46 9.684 21.888 16.817 1.00 1.00 N ATOM 696 CA ASP A 46 10.181 23.244 16.590 1.00 1.00 C ATOM 697 C ASP A 46 9.528 24.190 17.601 1.00 1.00 C ATOM 698 O ASP A 46 8.304 24.342 17.624 1.00 1.00 O ATOM 699 CB ASP A 46 9.865 23.705 15.166 1.00 1.00 C ATOM 700 CG ASP A 46 10.419 25.106 14.947 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.906 25.691 15.900 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.353 25.574 13.822 1.00 1.00 O ATOM 0 H ASP A 46 8.675 21.784 16.708 1.00 1.00 H new ATOM 0 HA ASP A 46 11.263 23.253 16.718 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.301 23.014 14.444 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.787 23.700 15.002 1.00 1.00 H new ATOM 707 N ASP A 47 10.349 24.800 18.457 1.00 1.00 N ATOM 708 CA ASP A 47 9.833 25.694 19.493 1.00 1.00 C ATOM 709 C ASP A 47 9.537 27.087 18.944 1.00 1.00 C ATOM 710 O ASP A 47 8.780 27.851 19.542 1.00 1.00 O ATOM 711 CB ASP A 47 10.860 25.798 20.630 1.00 1.00 C ATOM 712 CG ASP A 47 12.065 26.641 20.206 1.00 1.00 C ATOM 713 OD1 ASP A 47 12.164 26.950 19.031 1.00 1.00 O ATOM 714 OD2 ASP A 47 12.873 26.956 21.064 1.00 1.00 O ATOM 0 H ASP A 47 11.363 24.693 18.454 1.00 1.00 H new ATOM 0 HA ASP A 47 8.897 25.276 19.864 1.00 1.00 H new ATOM 0 HB2 ASP A 47 10.392 26.243 21.508 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.193 24.800 20.917 1.00 1.00 H new ATOM 719 N ALA A 48 10.144 27.425 17.810 1.00 1.00 N ATOM 720 CA ALA A 48 9.920 28.745 17.236 1.00 1.00 C ATOM 721 C ALA A 48 8.590 28.794 16.492 1.00 1.00 C ATOM 722 O ALA A 48 8.026 29.868 16.288 1.00 1.00 O ATOM 723 CB ALA A 48 11.048 29.100 16.275 1.00 1.00 C ATOM 0 H ALA A 48 10.777 26.822 17.284 1.00 1.00 H new ATOM 0 HA ALA A 48 9.895 29.467 18.052 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.869 30.089 15.853 1.00 1.00 H new ATOM 0 HB2 ALA A 48 11.997 29.101 16.812 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.087 28.364 15.472 1.00 1.00 H new ATOM 729 N THR A 49 8.098 27.624 16.082 1.00 1.00 N ATOM 730 CA THR A 49 6.834 27.531 15.350 1.00 1.00 C ATOM 731 C THR A 49 5.791 26.786 16.179 1.00 1.00 C ATOM 732 O THR A 49 4.619 26.730 15.805 1.00 1.00 O ATOM 733 CB THR A 49 7.054 26.815 14.004 1.00 1.00 C ATOM 734 OG1 THR A 49 8.010 25.776 14.167 1.00 1.00 O ATOM 735 CG2 THR A 49 7.550 27.801 12.940 1.00 1.00 C ATOM 0 H THR A 49 8.556 26.727 16.245 1.00 1.00 H new ATOM 0 HA THR A 49 6.468 28.539 15.158 1.00 1.00 H new ATOM 0 HB THR A 49 6.103 26.395 13.676 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.755 25.916 13.546 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.699 27.275 11.997 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.811 28.590 12.802 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.494 28.241 13.263 1.00 1.00 H new ATOM 743 N LYS A 50 6.224 26.198 17.295 1.00 1.00 N ATOM 744 CA LYS A 50 5.318 25.451 18.148 1.00 1.00 C ATOM 745 C LYS A 50 4.636 24.352 17.352 1.00 1.00 C ATOM 746 O LYS A 50 3.418 24.182 17.439 1.00 1.00 O ATOM 747 CB LYS A 50 4.252 26.380 18.724 1.00 1.00 C ATOM 748 CG LYS A 50 4.907 27.606 19.355 1.00 1.00 C ATOM 749 CD LYS A 50 5.801 27.180 20.521 1.00 1.00 C ATOM 750 CE LYS A 50 6.106 28.391 21.409 1.00 1.00 C ATOM 751 NZ LYS A 50 6.815 27.930 22.634 1.00 1.00 N ATOM 0 H LYS A 50 7.190 26.228 17.622 1.00 1.00 H new ATOM 0 HA LYS A 50 5.896 25.009 18.960 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.565 26.690 17.936 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.661 25.849 19.471 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.497 28.138 18.609 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.141 28.297 19.707 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.307 26.404 21.106 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.729 26.752 20.142 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.720 29.110 20.867 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.182 28.902 21.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.025 28.747 23.242 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.212 27.259 23.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.703 27.461 22.365 1.00 1.00 H new ATOM 765 N THR A 51 5.414 23.624 16.550 1.00 1.00 N ATOM 766 CA THR A 51 4.848 22.557 15.714 1.00 1.00 C ATOM 767 C THR A 51 5.598 21.239 15.904 1.00 1.00 C ATOM 768 O THR A 51 6.823 21.187 15.776 1.00 1.00 O ATOM 769 CB THR A 51 4.912 22.981 14.241 1.00 1.00 C ATOM 770 OG1 THR A 51 4.154 24.168 14.062 1.00 1.00 O ATOM 771 CG2 THR A 51 4.343 21.871 13.348 1.00 1.00 C ATOM 0 H THR A 51 6.422 23.748 16.460 1.00 1.00 H new ATOM 0 HA THR A 51 3.812 22.399 16.015 1.00 1.00 H new ATOM 0 HB THR A 51 5.951 23.161 13.964 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.553 24.893 14.587 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.393 22.182 12.305 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.926 20.960 13.484 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.305 21.681 13.621 1.00 1.00 H new ATOM 779 N PHE A 52 4.851 20.160 16.176 1.00 1.00 N ATOM 780 CA PHE A 52 5.443 18.846 16.340 1.00 1.00 C ATOM 781 C PHE A 52 5.104 18.048 15.113 1.00 1.00 C ATOM 782 O PHE A 52 4.085 18.308 14.486 1.00 1.00 O ATOM 783 CB PHE A 52 4.834 18.143 17.556 1.00 1.00 C ATOM 784 CG PHE A 52 5.340 18.759 18.835 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.701 19.883 19.361 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.432 18.190 19.504 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.153 20.441 20.563 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.883 18.749 20.706 1.00 1.00 C ATOM 789 CZ PHE A 52 6.240 19.873 21.236 1.00 1.00 C ATOM 0 H PHE A 52 3.837 20.182 16.285 1.00 1.00 H new ATOM 0 HA PHE A 52 6.520 18.934 16.481 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.747 18.214 17.517 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.085 17.083 17.533 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.861 20.321 18.843 1.00 1.00 H new ATOM 0 HD2 PHE A 52 6.925 17.321 19.093 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.661 21.312 20.971 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.725 18.314 21.223 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.583 20.303 22.166 1.00 1.00 H new ATOM 799 N THR A 53 5.926 17.076 14.754 1.00 1.00 N ATOM 800 CA THR A 53 5.606 16.257 13.594 1.00 1.00 C ATOM 801 C THR A 53 5.966 14.819 13.886 1.00 1.00 C ATOM 802 O THR A 53 6.977 14.546 14.541 1.00 1.00 O ATOM 803 CB THR A 53 6.350 16.720 12.326 1.00 1.00 C ATOM 804 OG1 THR A 53 7.597 16.058 12.249 1.00 1.00 O ATOM 805 CG2 THR A 53 6.577 18.232 12.359 1.00 1.00 C ATOM 0 H THR A 53 6.795 16.838 15.232 1.00 1.00 H new ATOM 0 HA THR A 53 4.537 16.358 13.404 1.00 1.00 H new ATOM 0 HB THR A 53 5.745 16.477 11.453 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.001 16.223 11.372 1.00 1.00 H new ATOM 0 HG21 THR A 53 7.104 18.541 11.456 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.616 18.743 12.411 1.00 1.00 H new ATOM 0 HG23 THR A 53 7.174 18.491 13.233 1.00 1.00 H new ATOM 813 N VAL A 54 5.179 13.896 13.344 1.00 1.00 N ATOM 814 CA VAL A 54 5.463 12.482 13.494 1.00 1.00 C ATOM 815 C VAL A 54 5.308 11.818 12.139 1.00 1.00 C ATOM 816 O VAL A 54 4.381 12.133 11.393 1.00 1.00 O ATOM 817 CB VAL A 54 4.532 11.847 14.518 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.098 11.935 14.033 1.00 1.00 C ATOM 819 CG2 VAL A 54 4.926 10.382 14.708 1.00 1.00 C ATOM 0 H VAL A 54 4.343 14.105 12.799 1.00 1.00 H new ATOM 0 HA VAL A 54 6.482 12.347 13.857 1.00 1.00 H new ATOM 0 HB VAL A 54 4.616 12.376 15.468 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.436 11.479 14.769 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.824 12.981 13.897 1.00 1.00 H new ATOM 0 HG13 VAL A 54 3.002 11.408 13.084 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.264 9.919 15.440 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.840 9.856 13.757 1.00 1.00 H new ATOM 0 HG23 VAL A 54 5.955 10.325 15.062 1.00 1.00 H new ATOM 829 N THR A 55 6.235 10.932 11.808 1.00 1.00 N ATOM 830 CA THR A 55 6.211 10.260 10.521 1.00 1.00 C ATOM 831 C THR A 55 6.568 8.791 10.664 1.00 1.00 C ATOM 832 O THR A 55 7.641 8.458 11.166 1.00 1.00 O ATOM 833 CB THR A 55 7.210 10.953 9.602 1.00 1.00 C ATOM 834 OG1 THR A 55 6.905 12.338 9.544 1.00 1.00 O ATOM 835 CG2 THR A 55 7.151 10.362 8.184 1.00 1.00 C ATOM 0 H THR A 55 7.011 10.663 12.413 1.00 1.00 H new ATOM 0 HA THR A 55 5.206 10.315 10.103 1.00 1.00 H new ATOM 0 HB THR A 55 8.214 10.802 10.000 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.736 12.857 9.553 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.873 10.873 7.547 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.389 9.299 8.223 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.149 10.495 7.776 1.00 1.00 H new ATOM 843 N GLU A 56 5.683 7.914 10.202 1.00 1.00 N ATOM 844 CA GLU A 56 5.930 6.483 10.265 1.00 1.00 C ATOM 845 C GLU A 56 6.571 6.001 8.967 1.00 1.00 C ATOM 846 O GLU A 56 6.876 4.824 8.879 1.00 1.00 O ATOM 847 CB GLU A 56 4.612 5.757 10.480 1.00 1.00 C ATOM 848 CG GLU A 56 3.801 6.483 11.548 1.00 1.00 C ATOM 849 CD GLU A 56 2.465 5.777 11.728 1.00 1.00 C ATOM 850 OE1 GLU A 56 1.537 6.105 11.008 1.00 1.00 O ATOM 851 OE2 GLU A 56 2.383 4.928 12.600 1.00 1.00 O ATOM 852 OXT GLU A 56 6.759 6.823 8.086 1.00 1.00 O ATOM 0 H GLU A 56 4.790 8.171 9.781 1.00 1.00 H new ATOM 0 HA GLU A 56 6.608 6.273 11.092 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.050 5.716 9.547 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.797 4.727 10.786 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.348 6.497 12.490 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.641 7.521 11.257 1.00 1.00 H new