USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 686 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.44) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -2.07 USER MOD Single : A 12 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.2) USER MOD Single : A 23 THR OG1 : rot 178:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -172:sc= -0.966 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= 0.134 (180deg=0.0218) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0.204 (180deg=0.115) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 125:sc= -2.9 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 85:sc= -0.258 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0802 K(o=-0.08,f=-0.75) USER MOD Single : A 88 TYR OH : rot 165:sc= 0.04 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.655 13.070 -3.228 1.00 0.40 N ATOM 33 CA VAL A 3 77.665 11.967 -3.103 1.00 0.33 C ATOM 34 C VAL A 3 76.633 12.070 -4.237 1.00 0.31 C ATOM 35 O VAL A 3 76.105 13.135 -4.506 1.00 0.37 O ATOM 36 CB VAL A 3 77.047 12.158 -1.694 1.00 0.36 C ATOM 37 CG1 VAL A 3 75.939 13.228 -1.676 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.466 10.828 -1.210 1.00 0.30 C ATOM 0 HA VAL A 3 78.098 10.971 -3.196 1.00 0.33 H new ATOM 0 HB VAL A 3 77.844 12.497 -1.033 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.540 13.322 -0.666 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.352 14.185 -1.993 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.139 12.935 -2.356 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.031 10.960 -0.219 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.694 10.494 -1.904 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.258 10.081 -1.162 1.00 0.30 H new ATOM 48 N LEU A 4 76.337 10.975 -4.879 1.00 0.26 N ATOM 49 CA LEU A 4 75.327 10.997 -5.980 1.00 0.28 C ATOM 50 C LEU A 4 73.906 10.954 -5.397 1.00 0.28 C ATOM 51 O LEU A 4 72.963 11.409 -6.017 1.00 0.30 O ATOM 52 CB LEU A 4 75.617 9.748 -6.836 1.00 0.27 C ATOM 53 CG LEU A 4 77.114 9.663 -7.227 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.316 8.517 -8.220 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.592 10.981 -7.866 1.00 0.37 C ATOM 0 H LEU A 4 76.751 10.062 -4.690 1.00 0.26 H new ATOM 0 HA LEU A 4 75.392 11.906 -6.578 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.333 8.853 -6.283 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.005 9.773 -7.738 1.00 0.27 H new ATOM 0 HG LEU A 4 77.697 9.484 -6.324 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.369 8.456 -8.496 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.006 7.578 -7.760 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.717 8.699 -9.112 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.646 10.896 -8.131 1.00 0.37 H new ATOM 0 HD22 LEU A 4 77.007 11.183 -8.763 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.462 11.798 -7.156 1.00 0.37 H new ATOM 67 N ALA A 5 73.762 10.482 -4.178 1.00 0.25 N ATOM 68 CA ALA A 5 72.428 10.488 -3.506 1.00 0.25 C ATOM 69 C ALA A 5 72.604 10.092 -2.039 1.00 0.23 C ATOM 70 O ALA A 5 73.558 9.424 -1.687 1.00 0.25 O ATOM 71 CB ALA A 5 71.588 9.446 -4.249 1.00 0.26 C ATOM 0 H ALA A 5 74.520 10.091 -3.619 1.00 0.25 H new ATOM 0 HA ALA A 5 71.951 11.468 -3.531 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.593 9.398 -3.806 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.505 9.727 -5.299 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.067 8.470 -4.172 1.00 0.26 H new ATOM 77 N LYS A 6 71.732 10.552 -1.179 1.00 0.22 N ATOM 78 CA LYS A 6 71.886 10.265 0.280 1.00 0.22 C ATOM 79 C LYS A 6 70.555 9.789 0.869 1.00 0.21 C ATOM 80 O LYS A 6 69.543 10.455 0.739 1.00 0.23 O ATOM 81 CB LYS A 6 72.296 11.607 0.890 1.00 0.24 C ATOM 82 CG LYS A 6 72.612 11.424 2.373 1.00 1.40 C ATOM 83 CD LYS A 6 73.061 12.762 2.963 1.00 1.50 C ATOM 84 CE LYS A 6 73.859 12.511 4.242 1.00 1.79 C ATOM 85 NZ LYS A 6 74.048 13.858 4.849 1.00 2.30 N ATOM 0 H LYS A 6 70.918 11.115 -1.424 1.00 0.22 H new ATOM 0 HA LYS A 6 72.615 9.480 0.480 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.168 12.003 0.369 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.493 12.334 0.766 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.732 11.057 2.902 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.395 10.676 2.500 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.672 13.304 2.241 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.194 13.386 3.179 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.322 11.845 4.918 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.817 12.039 4.023 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.589 13.768 5.733 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 74.568 14.468 4.186 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.120 14.280 5.053 1.00 2.30 H new ATOM 99 N PHE A 7 70.547 8.639 1.504 1.00 0.19 N ATOM 100 CA PHE A 7 69.274 8.115 2.090 1.00 0.19 C ATOM 101 C PHE A 7 69.553 7.253 3.329 1.00 0.17 C ATOM 102 O PHE A 7 70.674 6.857 3.576 1.00 0.16 O ATOM 103 CB PHE A 7 68.629 7.297 0.961 1.00 0.20 C ATOM 104 CG PHE A 7 69.502 6.120 0.577 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.717 6.332 -0.155 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.108 4.789 0.942 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.539 5.213 -0.521 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.929 3.671 0.575 1.00 0.20 C ATOM 109 CZ PHE A 7 71.144 3.882 -0.156 1.00 0.20 C ATOM 0 H PHE A 7 71.364 8.044 1.640 1.00 0.19 H new ATOM 0 HA PHE A 7 68.616 8.914 2.433 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.650 6.940 1.280 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.468 7.934 0.091 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.014 7.333 -0.431 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.193 4.629 1.493 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.455 5.373 -1.071 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.631 2.670 0.850 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.762 3.040 -0.432 1.00 0.20 H new ATOM 119 N HIS A 8 68.547 7.018 4.137 1.00 0.18 N ATOM 120 CA HIS A 8 68.749 6.244 5.403 1.00 0.18 C ATOM 121 C HIS A 8 68.027 4.895 5.318 1.00 0.17 C ATOM 122 O HIS A 8 66.890 4.816 4.888 1.00 0.18 O ATOM 123 CB HIS A 8 68.122 7.109 6.499 1.00 0.20 C ATOM 124 CG HIS A 8 68.853 8.420 6.594 1.00 0.77 C ATOM 125 ND1 HIS A 8 70.018 8.567 7.329 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.591 9.657 6.057 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.411 9.849 7.216 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.576 10.557 6.451 1.00 1.99 N ATOM 0 H HIS A 8 67.590 7.331 3.973 1.00 0.18 H new ATOM 0 HA HIS A 8 69.802 6.035 5.594 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.069 7.284 6.279 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.165 6.588 7.455 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.748 9.895 5.425 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.294 10.256 7.687 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.646 11.545 6.208 1.00 1.99 H new ATOM 136 N THR A 9 68.659 3.850 5.785 1.00 0.16 N ATOM 137 CA THR A 9 68.004 2.505 5.808 1.00 0.17 C ATOM 138 C THR A 9 68.570 1.675 6.971 1.00 0.16 C ATOM 139 O THR A 9 69.642 1.966 7.467 1.00 0.15 O ATOM 140 CB THR A 9 68.320 1.875 4.436 1.00 0.17 C ATOM 141 OG1 THR A 9 67.571 0.677 4.287 1.00 0.18 O ATOM 142 CG2 THR A 9 69.817 1.559 4.307 1.00 0.17 C ATOM 0 H THR A 9 69.609 3.870 6.155 1.00 0.16 H new ATOM 0 HA THR A 9 66.927 2.558 5.966 1.00 0.17 H new ATOM 0 HB THR A 9 68.050 2.588 3.657 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.768 0.274 3.415 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.012 1.116 3.331 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.393 2.479 4.410 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.110 0.858 5.089 1.00 0.17 H new ATOM 150 N THR A 10 67.890 0.627 7.373 1.00 0.17 N ATOM 151 CA THR A 10 68.435 -0.240 8.466 1.00 0.17 C ATOM 152 C THR A 10 68.849 -1.607 7.900 1.00 0.17 C ATOM 153 O THR A 10 68.429 -1.993 6.824 1.00 0.17 O ATOM 154 CB THR A 10 67.309 -0.348 9.528 1.00 0.17 C ATOM 155 OG1 THR A 10 67.857 -0.820 10.745 1.00 0.17 O ATOM 156 CG2 THR A 10 66.196 -1.312 9.097 1.00 0.17 C ATOM 0 H THR A 10 66.988 0.336 6.995 1.00 0.17 H new ATOM 0 HA THR A 10 69.334 0.177 8.920 1.00 0.17 H new ATOM 0 HB THR A 10 66.877 0.646 9.646 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.784 -1.101 10.599 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.431 -1.354 9.872 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.751 -0.961 8.166 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.615 -2.307 8.946 1.00 0.17 H new ATOM 164 N VAL A 11 69.710 -2.303 8.596 1.00 0.17 N ATOM 165 CA VAL A 11 70.212 -3.614 8.080 1.00 0.17 C ATOM 166 C VAL A 11 69.176 -4.713 8.329 1.00 0.17 C ATOM 167 O VAL A 11 68.688 -4.878 9.429 1.00 0.17 O ATOM 168 CB VAL A 11 71.501 -3.899 8.865 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.115 -5.221 8.386 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.508 -2.760 8.641 1.00 0.49 C ATOM 0 H VAL A 11 70.088 -2.021 9.500 1.00 0.17 H new ATOM 0 HA VAL A 11 70.395 -3.586 7.006 1.00 0.17 H new ATOM 0 HB VAL A 11 71.264 -3.970 9.927 1.00 0.21 H new ATOM 0 HG11 VAL A 11 73.029 -5.421 8.944 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.405 -6.032 8.549 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.347 -5.150 7.323 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.421 -2.966 9.200 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.742 -2.685 7.579 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.077 -1.820 8.985 1.00 0.49 H new ATOM 180 N HIS A 12 68.936 -5.527 7.337 1.00 0.21 N ATOM 181 CA HIS A 12 68.045 -6.711 7.518 1.00 0.25 C ATOM 182 C HIS A 12 68.857 -7.993 7.360 1.00 0.25 C ATOM 183 O HIS A 12 70.037 -7.961 7.067 1.00 0.25 O ATOM 184 CB HIS A 12 66.979 -6.623 6.428 1.00 0.26 C ATOM 185 CG HIS A 12 65.853 -5.748 6.903 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.033 -4.404 7.188 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.529 -6.011 7.151 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.847 -3.913 7.591 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.895 -4.851 7.586 1.00 0.56 N ATOM 0 H HIS A 12 69.323 -5.422 6.399 1.00 0.21 H new ATOM 0 HA HIS A 12 67.590 -6.722 8.508 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.410 -6.216 5.514 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.605 -7.618 6.188 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.052 -6.972 7.027 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.684 -2.886 7.883 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.915 -4.740 7.845 1.00 0.56 H new ATOM 197 N ARG A 13 68.254 -9.116 7.651 1.00 0.29 N ATOM 198 CA ARG A 13 68.993 -10.427 7.630 1.00 0.32 C ATOM 199 C ARG A 13 69.837 -10.588 6.348 1.00 0.29 C ATOM 200 O ARG A 13 69.593 -9.942 5.348 1.00 0.24 O ATOM 201 CB ARG A 13 67.886 -11.480 7.664 1.00 0.36 C ATOM 202 CG ARG A 13 68.481 -12.850 7.991 1.00 0.72 C ATOM 203 CD ARG A 13 67.377 -13.908 7.941 1.00 1.16 C ATOM 204 NE ARG A 13 68.033 -15.180 8.385 1.00 1.81 N ATOM 205 CZ ARG A 13 67.330 -16.196 8.858 1.00 2.39 C ATOM 206 NH1 ARG A 13 66.019 -16.149 8.963 1.00 2.96 N ATOM 207 NH2 ARG A 13 67.957 -17.280 9.229 1.00 2.76 N ATOM 0 H ARG A 13 67.269 -9.188 7.906 1.00 0.29 H new ATOM 0 HA ARG A 13 69.693 -10.508 8.462 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.139 -11.211 8.411 1.00 0.36 H new ATOM 0 HB3 ARG A 13 67.376 -11.516 6.701 1.00 0.36 H new ATOM 0 HG2 ARG A 13 69.268 -13.096 7.279 1.00 0.72 H new ATOM 0 HG3 ARG A 13 68.939 -12.833 8.980 1.00 0.72 H new ATOM 0 HD2 ARG A 13 66.547 -13.643 8.596 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.970 -14.005 6.935 1.00 1.16 H new ATOM 0 HE ARG A 13 69.047 -15.265 8.321 1.00 1.81 H new ATOM 0 HH11 ARG A 13 65.514 -15.311 8.675 1.00 2.96 H new ATOM 0 HH12 ARG A 13 65.508 -16.951 9.332 1.00 2.96 H new ATOM 0 HH21 ARG A 13 68.973 -17.333 9.152 1.00 2.76 H new ATOM 0 HH22 ARG A 13 67.431 -18.073 9.596 1.00 2.76 H new ATOM 221 N ILE A 14 70.902 -11.357 6.426 1.00 0.34 N ATOM 222 CA ILE A 14 71.879 -11.501 5.281 1.00 0.34 C ATOM 223 C ILE A 14 72.575 -10.170 4.921 1.00 0.28 C ATOM 224 O ILE A 14 73.292 -10.111 3.938 1.00 0.29 O ATOM 225 CB ILE A 14 71.078 -12.012 4.066 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.303 -13.280 4.435 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.044 -12.338 2.925 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.324 -13.616 3.309 1.00 0.36 C ATOM 0 H ILE A 14 71.144 -11.905 7.252 1.00 0.34 H new ATOM 0 HA ILE A 14 72.669 -12.193 5.572 1.00 0.34 H new ATOM 0 HB ILE A 14 70.375 -11.238 3.757 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.993 -14.109 4.593 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.763 -13.132 5.370 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.482 -12.700 2.064 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.595 -11.440 2.647 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.744 -13.107 3.250 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.769 -14.518 3.566 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.628 -12.788 3.173 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.876 -13.781 2.384 1.00 0.36 H new ATOM 240 N GLY A 15 72.391 -9.115 5.690 1.00 0.24 N ATOM 241 CA GLY A 15 73.068 -7.820 5.364 1.00 0.20 C ATOM 242 C GLY A 15 72.337 -7.109 4.214 1.00 0.17 C ATOM 243 O GLY A 15 72.904 -6.251 3.560 1.00 0.15 O ATOM 0 H GLY A 15 71.804 -9.099 6.524 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.084 -7.179 6.245 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.105 -8.005 5.085 1.00 0.20 H new ATOM 247 N ARG A 16 71.119 -7.506 3.910 1.00 0.18 N ATOM 248 CA ARG A 16 70.392 -6.904 2.749 1.00 0.18 C ATOM 249 C ARG A 16 69.696 -5.606 3.170 1.00 0.19 C ATOM 250 O ARG A 16 69.081 -5.539 4.216 1.00 0.24 O ATOM 251 CB ARG A 16 69.367 -7.970 2.341 1.00 0.26 C ATOM 252 CG ARG A 16 68.529 -7.481 1.155 1.00 0.26 C ATOM 253 CD ARG A 16 67.456 -8.526 0.836 1.00 0.76 C ATOM 254 NE ARG A 16 66.679 -7.962 -0.314 1.00 0.91 N ATOM 255 CZ ARG A 16 65.931 -8.731 -1.090 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.857 -10.034 -0.918 1.00 1.96 N ATOM 257 NH2 ARG A 16 65.247 -8.182 -2.057 1.00 1.41 N ATOM 0 H ARG A 16 70.600 -8.222 4.419 1.00 0.18 H new ATOM 0 HA ARG A 16 71.059 -6.642 1.927 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.880 -8.894 2.075 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.716 -8.199 3.185 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.064 -6.524 1.392 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.166 -7.319 0.286 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.906 -9.483 0.574 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.811 -8.702 1.697 1.00 0.76 H new ATOM 0 HE ARG A 16 66.727 -6.961 -0.504 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.386 -10.480 -0.169 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.271 -10.597 -1.534 1.00 1.96 H new ATOM 0 HH21 ARG A 16 65.294 -7.174 -2.206 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.666 -8.761 -2.663 1.00 1.41 H new ATOM 271 N ILE A 17 69.678 -4.629 2.296 1.00 0.18 N ATOM 272 CA ILE A 17 68.879 -3.393 2.554 1.00 0.21 C ATOM 273 C ILE A 17 68.078 -3.033 1.297 1.00 0.19 C ATOM 274 O ILE A 17 68.489 -3.344 0.194 1.00 0.15 O ATOM 275 CB ILE A 17 69.902 -2.296 2.895 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.862 -2.077 1.716 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.707 -2.713 4.129 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.667 -0.790 1.931 1.00 0.30 C ATOM 0 H ILE A 17 70.185 -4.636 1.411 1.00 0.18 H new ATOM 0 HA ILE A 17 68.164 -3.520 3.367 1.00 0.21 H new ATOM 0 HB ILE A 17 69.367 -1.368 3.097 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.537 -2.927 1.623 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.299 -2.013 0.785 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.432 -1.936 4.370 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.032 -2.854 4.973 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.231 -3.646 3.923 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.346 -0.641 1.091 1.00 0.30 H new ATOM 0 HD12 ILE A 17 70.986 0.058 2.002 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.243 -0.871 2.853 1.00 0.30 H new ATOM 290 N ILE A 18 66.984 -2.325 1.448 1.00 0.23 N ATOM 291 CA ILE A 18 66.210 -1.875 0.248 1.00 0.20 C ATOM 292 C ILE A 18 66.207 -0.351 0.171 1.00 0.20 C ATOM 293 O ILE A 18 65.808 0.320 1.105 1.00 0.22 O ATOM 294 CB ILE A 18 64.778 -2.393 0.443 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.775 -3.917 0.676 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.950 -2.062 -0.804 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.440 -4.644 -0.500 1.00 0.24 C ATOM 0 H ILE A 18 66.595 -2.040 2.347 1.00 0.23 H new ATOM 0 HA ILE A 18 66.649 -2.254 -0.675 1.00 0.20 H new ATOM 0 HB ILE A 18 64.344 -1.910 1.319 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.303 -4.150 1.600 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.751 -4.270 0.797 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.932 -2.427 -0.672 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.932 -0.982 -0.953 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.397 -2.541 -1.675 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.428 -5.718 -0.317 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.894 -4.426 -1.418 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.471 -4.305 -0.602 1.00 0.24 H new ATOM 309 N ILE A 19 66.570 0.192 -0.964 1.00 0.17 N ATOM 310 CA ILE A 19 66.502 1.675 -1.139 1.00 0.17 C ATOM 311 C ILE A 19 65.055 2.087 -1.448 1.00 0.19 C ATOM 312 O ILE A 19 64.383 1.410 -2.198 1.00 0.17 O ATOM 313 CB ILE A 19 67.430 1.997 -2.322 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.855 1.507 -1.979 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.431 3.517 -2.556 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.861 1.909 -3.064 1.00 0.23 C ATOM 0 H ILE A 19 66.909 -0.326 -1.775 1.00 0.17 H new ATOM 0 HA ILE A 19 66.810 2.215 -0.243 1.00 0.17 H new ATOM 0 HB ILE A 19 67.085 1.498 -3.228 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.164 1.925 -1.021 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.852 0.423 -1.868 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.087 3.756 -3.393 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.418 3.851 -2.781 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.789 4.023 -1.659 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.853 1.549 -2.792 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.564 1.469 -4.016 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.882 2.995 -3.157 1.00 0.23 H new ATOM 328 N PRO A 20 64.638 3.234 -0.950 1.00 0.24 N ATOM 329 CA PRO A 20 63.288 3.753 -1.304 1.00 0.28 C ATOM 330 C PRO A 20 63.222 4.038 -2.797 1.00 0.26 C ATOM 331 O PRO A 20 64.193 4.464 -3.394 1.00 0.25 O ATOM 332 CB PRO A 20 63.184 5.045 -0.503 1.00 0.34 C ATOM 333 CG PRO A 20 64.607 5.444 -0.301 1.00 0.35 C ATOM 334 CD PRO A 20 65.335 4.159 -0.036 1.00 0.29 C ATOM 0 HA PRO A 20 62.480 3.055 -1.083 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.626 5.809 -1.044 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.672 4.889 0.447 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.004 5.949 -1.182 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.708 6.135 0.536 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.399 4.236 -0.262 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.252 3.847 1.005 1.00 0.29 H new ATOM 342 N ALA A 21 62.094 3.787 -3.404 1.00 0.28 N ATOM 343 CA ALA A 21 61.960 4.010 -4.879 1.00 0.29 C ATOM 344 C ALA A 21 62.284 5.466 -5.233 1.00 0.31 C ATOM 345 O ALA A 21 62.706 5.763 -6.336 1.00 0.32 O ATOM 346 CB ALA A 21 60.499 3.693 -5.208 1.00 0.33 C ATOM 0 H ALA A 21 61.254 3.436 -2.943 1.00 0.28 H new ATOM 0 HA ALA A 21 62.649 3.384 -5.447 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.327 3.835 -6.275 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.282 2.659 -4.940 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.846 4.359 -4.644 1.00 0.33 H new ATOM 352 N GLY A 22 62.089 6.373 -4.303 1.00 0.34 N ATOM 353 CA GLY A 22 62.380 7.814 -4.584 1.00 0.38 C ATOM 354 C GLY A 22 63.875 8.004 -4.840 1.00 0.37 C ATOM 355 O GLY A 22 64.268 8.702 -5.759 1.00 0.39 O ATOM 0 H GLY A 22 61.742 6.177 -3.364 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.809 8.147 -5.451 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.066 8.428 -3.740 1.00 0.38 H new ATOM 359 N THR A 23 64.712 7.393 -4.035 1.00 0.34 N ATOM 360 CA THR A 23 66.187 7.547 -4.230 1.00 0.34 C ATOM 361 C THR A 23 66.628 6.825 -5.503 1.00 0.30 C ATOM 362 O THR A 23 67.436 7.333 -6.257 1.00 0.32 O ATOM 363 CB THR A 23 66.838 6.915 -2.995 1.00 0.34 C ATOM 364 OG1 THR A 23 66.361 7.569 -1.827 1.00 0.39 O ATOM 365 CG2 THR A 23 68.362 7.066 -3.078 1.00 0.37 C ATOM 0 H THR A 23 64.438 6.797 -3.254 1.00 0.34 H new ATOM 0 HA THR A 23 66.476 8.592 -4.339 1.00 0.34 H new ATOM 0 HB THR A 23 66.584 5.856 -2.953 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.749 7.145 -1.033 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.821 6.615 -2.198 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.729 6.566 -3.975 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.621 8.124 -3.121 1.00 0.37 H new ATOM 373 N ARG A 24 66.058 5.671 -5.787 1.00 0.26 N ATOM 374 CA ARG A 24 66.406 4.949 -7.070 1.00 0.25 C ATOM 375 C ARG A 24 66.148 5.877 -8.262 1.00 0.28 C ATOM 376 O ARG A 24 66.888 5.896 -9.224 1.00 0.29 O ATOM 377 CB ARG A 24 65.474 3.727 -7.196 1.00 0.25 C ATOM 378 CG ARG A 24 65.359 2.948 -5.883 1.00 0.23 C ATOM 379 CD ARG A 24 65.003 1.494 -6.184 1.00 0.24 C ATOM 380 NE ARG A 24 64.204 1.041 -5.003 1.00 0.27 N ATOM 381 CZ ARG A 24 63.340 0.045 -5.085 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.142 -0.621 -6.203 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.668 -0.291 -4.021 1.00 0.39 N ATOM 0 H ARG A 24 65.374 5.199 -5.196 1.00 0.26 H new ATOM 0 HA ARG A 24 67.453 4.646 -7.058 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.483 4.059 -7.507 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.849 3.066 -7.977 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.300 2.997 -5.335 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.596 3.396 -5.247 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.427 1.411 -7.106 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.899 0.886 -6.312 1.00 0.24 H new ATOM 0 HE ARG A 24 64.330 1.515 -4.109 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.664 -0.373 -7.043 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.466 -1.385 -6.229 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.814 0.212 -3.146 1.00 0.39 H new ATOM 0 HH22 ARG A 24 61.996 -1.057 -4.063 1.00 0.39 H new ATOM 397 N LYS A 25 65.065 6.608 -8.203 1.00 0.32 N ATOM 398 CA LYS A 25 64.689 7.512 -9.333 1.00 0.37 C ATOM 399 C LYS A 25 65.722 8.629 -9.482 1.00 0.38 C ATOM 400 O LYS A 25 66.226 8.877 -10.560 1.00 0.40 O ATOM 401 CB LYS A 25 63.323 8.090 -8.938 1.00 0.42 C ATOM 402 CG LYS A 25 62.802 9.000 -10.047 1.00 1.08 C ATOM 403 CD LYS A 25 61.452 9.589 -9.634 1.00 1.68 C ATOM 404 CE LYS A 25 60.856 10.373 -10.805 1.00 2.42 C ATOM 405 NZ LYS A 25 59.586 10.945 -10.278 1.00 2.97 N ATOM 0 H LYS A 25 64.419 6.618 -7.414 1.00 0.32 H new ATOM 0 HA LYS A 25 64.650 6.988 -10.288 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.615 7.281 -8.757 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.411 8.651 -8.007 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.516 9.801 -10.240 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.696 8.437 -10.974 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.772 8.792 -9.333 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.578 10.243 -8.771 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.534 11.158 -11.140 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.672 9.724 -11.661 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.118 11.498 -11.024 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 58.958 10.174 -9.973 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.794 11.563 -9.468 1.00 2.97 H new ATOM 419 N PHE A 26 66.044 9.294 -8.402 1.00 0.38 N ATOM 420 CA PHE A 26 67.041 10.415 -8.464 1.00 0.42 C ATOM 421 C PHE A 26 68.379 9.919 -9.022 1.00 0.42 C ATOM 422 O PHE A 26 69.067 10.632 -9.730 1.00 0.46 O ATOM 423 CB PHE A 26 67.205 10.888 -7.016 1.00 0.43 C ATOM 424 CG PHE A 26 68.113 12.094 -6.975 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.608 13.385 -7.345 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.482 11.947 -6.570 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.472 14.530 -7.308 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.346 13.092 -6.533 1.00 0.64 C ATOM 429 CZ PHE A 26 69.841 14.384 -6.902 1.00 0.67 C ATOM 0 H PHE A 26 65.660 9.111 -7.475 1.00 0.38 H new ATOM 0 HA PHE A 26 66.707 11.219 -9.121 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.232 11.138 -6.593 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.621 10.086 -6.406 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.578 13.495 -7.651 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.862 10.975 -6.293 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.092 15.502 -7.586 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.376 12.982 -6.228 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.491 15.246 -6.874 1.00 0.67 H new ATOM 439 N TYR A 27 68.776 8.733 -8.647 1.00 0.39 N ATOM 440 CA TYR A 27 70.109 8.202 -9.083 1.00 0.42 C ATOM 441 C TYR A 27 70.013 7.501 -10.451 1.00 0.35 C ATOM 442 O TYR A 27 71.020 7.268 -11.097 1.00 0.37 O ATOM 443 CB TYR A 27 70.488 7.202 -7.988 1.00 0.46 C ATOM 444 CG TYR A 27 71.892 6.678 -8.199 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.149 5.676 -9.195 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.964 7.164 -7.381 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.476 5.163 -9.372 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.290 6.644 -7.553 1.00 1.16 C ATOM 449 CZ TYR A 27 74.545 5.644 -8.547 1.00 1.18 C ATOM 450 OH TYR A 27 75.817 5.140 -8.704 1.00 1.44 O ATOM 0 H TYR A 27 68.235 8.103 -8.055 1.00 0.39 H new ATOM 0 HA TYR A 27 70.848 8.994 -9.207 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.417 7.681 -7.012 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.782 6.372 -7.988 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.342 5.308 -9.811 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.774 7.922 -6.635 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.670 4.415 -10.126 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.096 7.007 -6.933 1.00 1.16 H new ATOM 0 HH TYR A 27 76.393 5.478 -7.987 1.00 1.44 H new ATOM 460 N GLY A 28 68.819 7.196 -10.919 1.00 0.31 N ATOM 461 CA GLY A 28 68.679 6.544 -12.257 1.00 0.29 C ATOM 462 C GLY A 28 69.066 5.063 -12.151 1.00 0.26 C ATOM 463 O GLY A 28 69.796 4.549 -12.979 1.00 0.27 O ATOM 0 H GLY A 28 67.941 7.372 -10.430 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.653 6.638 -12.613 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.316 7.045 -12.986 1.00 0.29 H new ATOM 467 N ILE A 29 68.625 4.390 -11.111 1.00 0.24 N ATOM 468 CA ILE A 29 69.016 2.955 -10.917 1.00 0.23 C ATOM 469 C ILE A 29 68.041 2.029 -11.649 1.00 0.20 C ATOM 470 O ILE A 29 66.855 2.017 -11.373 1.00 0.22 O ATOM 471 CB ILE A 29 68.950 2.706 -9.400 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.914 3.655 -8.687 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.349 1.256 -9.093 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.792 3.504 -7.166 1.00 0.42 C ATOM 0 H ILE A 29 68.013 4.772 -10.390 1.00 0.24 H new ATOM 0 HA ILE A 29 70.010 2.754 -11.317 1.00 0.23 H new ATOM 0 HB ILE A 29 67.932 2.883 -9.052 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.937 3.444 -8.998 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.699 4.684 -8.974 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.301 1.085 -8.018 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.665 0.575 -9.600 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.365 1.076 -9.443 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.486 4.187 -6.676 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.773 3.738 -6.858 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.031 2.479 -6.882 1.00 0.42 H new ATOM 486 N GLU A 30 68.573 1.135 -12.442 1.00 0.17 N ATOM 487 CA GLU A 30 67.738 0.055 -13.045 1.00 0.18 C ATOM 488 C GLU A 30 68.397 -1.295 -12.763 1.00 0.17 C ATOM 489 O GLU A 30 69.591 -1.368 -12.541 1.00 0.18 O ATOM 490 CB GLU A 30 67.721 0.349 -14.546 1.00 0.22 C ATOM 491 CG GLU A 30 66.762 -0.622 -15.247 1.00 1.06 C ATOM 492 CD GLU A 30 66.795 -0.417 -16.773 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.588 0.386 -17.245 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.021 -1.076 -17.448 1.00 1.82 O ATOM 0 H GLU A 30 69.560 1.108 -12.699 1.00 0.17 H new ATOM 0 HA GLU A 30 66.727 0.021 -12.640 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.407 1.378 -14.722 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.725 0.247 -14.959 1.00 0.22 H new ATOM 0 HG2 GLU A 30 67.038 -1.649 -15.007 1.00 1.06 H new ATOM 0 HG3 GLU A 30 65.748 -0.470 -14.877 1.00 1.06 H new ATOM 501 N GLN A 31 67.631 -2.361 -12.726 1.00 0.20 N ATOM 502 CA GLN A 31 68.221 -3.706 -12.403 1.00 0.20 C ATOM 503 C GLN A 31 69.375 -4.033 -13.358 1.00 0.19 C ATOM 504 O GLN A 31 69.312 -3.756 -14.542 1.00 0.20 O ATOM 505 CB GLN A 31 67.084 -4.709 -12.591 1.00 0.25 C ATOM 506 CG GLN A 31 67.532 -6.087 -12.091 1.00 1.08 C ATOM 507 CD GLN A 31 66.389 -7.100 -12.246 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.261 -6.735 -12.523 1.00 0.70 O ATOM 509 NE2 GLN A 31 66.637 -8.370 -12.077 1.00 1.99 N ATOM 0 H GLN A 31 66.627 -2.361 -12.904 1.00 0.20 H new ATOM 0 HA GLN A 31 68.625 -3.732 -11.391 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.201 -4.381 -12.043 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.804 -4.765 -13.643 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.404 -6.421 -12.654 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.833 -6.023 -11.045 1.00 1.08 H new ATOM 0 HE21 GLN A 31 67.581 -8.679 -11.845 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.887 -9.054 -12.177 1.00 1.99 H new ATOM 518 N GLY A 32 70.419 -4.622 -12.841 1.00 0.18 N ATOM 519 CA GLY A 32 71.590 -4.981 -13.693 1.00 0.19 C ATOM 520 C GLY A 32 72.653 -3.869 -13.660 1.00 0.17 C ATOM 521 O GLY A 32 73.794 -4.104 -14.015 1.00 0.18 O ATOM 0 H GLY A 32 70.512 -4.872 -11.857 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.026 -5.917 -13.344 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.262 -5.146 -14.719 1.00 0.19 H new ATOM 525 N ASP A 33 72.309 -2.677 -13.208 1.00 0.15 N ATOM 526 CA ASP A 33 73.332 -1.584 -13.125 1.00 0.14 C ATOM 527 C ASP A 33 74.238 -1.803 -11.914 1.00 0.13 C ATOM 528 O ASP A 33 73.826 -2.390 -10.932 1.00 0.14 O ATOM 529 CB ASP A 33 72.535 -0.288 -12.965 1.00 0.13 C ATOM 530 CG ASP A 33 71.741 0.007 -14.242 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.138 -0.458 -15.300 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.748 0.705 -14.137 1.00 1.07 O ATOM 0 H ASP A 33 71.372 -2.420 -12.897 1.00 0.15 H new ATOM 0 HA ASP A 33 73.972 -1.558 -14.007 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.855 -0.373 -12.117 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.211 0.539 -12.750 1.00 0.13 H new ATOM 537 N PHE A 34 75.424 -1.239 -11.932 1.00 0.12 N ATOM 538 CA PHE A 34 76.305 -1.308 -10.731 1.00 0.11 C ATOM 539 C PHE A 34 76.446 0.082 -10.121 1.00 0.10 C ATOM 540 O PHE A 34 76.677 1.046 -10.823 1.00 0.11 O ATOM 541 CB PHE A 34 77.656 -1.802 -11.250 1.00 0.12 C ATOM 542 CG PHE A 34 77.544 -3.252 -11.652 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.119 -3.600 -12.976 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.867 -4.282 -10.706 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.015 -4.981 -13.356 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.764 -5.663 -11.086 1.00 0.20 C ATOM 547 CZ PHE A 34 77.337 -6.012 -12.412 1.00 0.21 C ATOM 0 H PHE A 34 75.816 -0.735 -12.728 1.00 0.12 H new ATOM 0 HA PHE A 34 75.906 -1.966 -9.959 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.971 -1.201 -12.103 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.418 -1.686 -10.479 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.877 -2.824 -13.687 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.187 -4.019 -9.709 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.694 -5.244 -14.353 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.007 -6.439 -10.375 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.258 -7.050 -12.698 1.00 0.21 H new ATOM 557 N VAL A 35 76.412 0.172 -8.818 1.00 0.09 N ATOM 558 CA VAL A 35 76.664 1.481 -8.149 1.00 0.09 C ATOM 559 C VAL A 35 77.700 1.295 -7.040 1.00 0.10 C ATOM 560 O VAL A 35 77.864 0.209 -6.516 1.00 0.10 O ATOM 561 CB VAL A 35 75.305 1.930 -7.593 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.313 2.098 -8.749 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.762 0.883 -6.614 1.00 0.15 C ATOM 0 H VAL A 35 76.220 -0.606 -8.187 1.00 0.09 H new ATOM 0 HA VAL A 35 77.065 2.233 -8.829 1.00 0.09 H new ATOM 0 HB VAL A 35 75.432 2.878 -7.070 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.347 2.417 -8.356 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.688 2.849 -9.444 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.197 1.148 -9.270 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.798 1.213 -6.226 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.639 -0.069 -7.131 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.462 0.760 -5.788 1.00 0.15 H new ATOM 573 N GLU A 36 78.405 2.340 -6.688 1.00 0.12 N ATOM 574 CA GLU A 36 79.444 2.231 -5.623 1.00 0.13 C ATOM 575 C GLU A 36 79.025 3.103 -4.456 1.00 0.13 C ATOM 576 O GLU A 36 78.602 4.224 -4.656 1.00 0.13 O ATOM 577 CB GLU A 36 80.733 2.753 -6.258 1.00 0.14 C ATOM 578 CG GLU A 36 81.902 2.551 -5.286 1.00 0.15 C ATOM 579 CD GLU A 36 83.198 3.155 -5.856 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.151 3.764 -6.917 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.224 3.000 -5.214 1.00 1.03 O ATOM 0 H GLU A 36 78.304 3.269 -7.096 1.00 0.12 H new ATOM 0 HA GLU A 36 79.577 1.214 -5.254 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.929 2.228 -7.193 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.628 3.810 -6.502 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.669 3.017 -4.328 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.044 1.487 -5.097 1.00 0.15 H new ATOM 588 N ILE A 37 78.916 2.521 -3.290 1.00 0.12 N ATOM 589 CA ILE A 37 78.253 3.238 -2.168 1.00 0.11 C ATOM 590 C ILE A 37 78.994 2.994 -0.847 1.00 0.11 C ATOM 591 O ILE A 37 79.651 1.984 -0.674 1.00 0.12 O ATOM 592 CB ILE A 37 76.835 2.651 -2.141 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.006 3.343 -1.058 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.889 1.144 -1.861 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.514 3.254 -1.410 1.00 0.14 C ATOM 0 H ILE A 37 79.256 1.585 -3.070 1.00 0.12 H new ATOM 0 HA ILE A 37 78.248 4.320 -2.299 1.00 0.11 H new ATOM 0 HB ILE A 37 76.371 2.815 -3.113 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.190 2.874 -0.091 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.306 4.387 -0.968 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.877 0.740 -1.845 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.464 0.649 -2.643 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.365 0.970 -0.896 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.927 3.748 -0.636 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.336 3.743 -2.368 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.218 2.207 -1.477 1.00 0.14 H new ATOM 607 N LYS A 38 78.850 3.892 0.095 1.00 0.12 N ATOM 608 CA LYS A 38 79.493 3.703 1.430 1.00 0.13 C ATOM 609 C LYS A 38 78.481 3.945 2.553 1.00 0.13 C ATOM 610 O LYS A 38 77.616 4.789 2.443 1.00 0.14 O ATOM 611 CB LYS A 38 80.609 4.742 1.494 1.00 0.13 C ATOM 612 CG LYS A 38 81.499 4.434 2.695 1.00 0.18 C ATOM 613 CD LYS A 38 82.651 5.441 2.756 1.00 0.25 C ATOM 614 CE LYS A 38 83.600 5.066 3.897 1.00 1.03 C ATOM 615 NZ LYS A 38 83.979 6.364 4.523 1.00 1.11 N ATOM 0 H LYS A 38 78.311 4.753 -0.005 1.00 0.12 H new ATOM 0 HA LYS A 38 79.872 2.688 1.554 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.195 4.723 0.575 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.188 5.743 1.583 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.915 4.479 3.614 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.893 3.421 2.617 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.190 5.450 1.809 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.260 6.447 2.910 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.112 4.408 4.616 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.477 4.536 3.524 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.382 6.190 5.466 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.684 6.844 3.928 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.135 6.966 4.613 1.00 1.11 H new ATOM 629 N ILE A 39 78.605 3.223 3.639 1.00 0.14 N ATOM 630 CA ILE A 39 77.670 3.417 4.795 1.00 0.14 C ATOM 631 C ILE A 39 78.424 3.944 6.018 1.00 0.13 C ATOM 632 O ILE A 39 79.577 3.617 6.232 1.00 0.13 O ATOM 633 CB ILE A 39 77.082 2.032 5.102 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.213 1.029 5.370 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.235 1.558 3.922 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.641 -0.228 6.026 1.00 0.20 C ATOM 0 H ILE A 39 79.316 2.504 3.777 1.00 0.14 H new ATOM 0 HA ILE A 39 76.894 4.144 4.554 1.00 0.14 H new ATOM 0 HB ILE A 39 76.453 2.101 5.990 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.711 0.769 4.436 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.965 1.479 6.018 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.820 0.575 4.144 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.423 2.265 3.750 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.857 1.496 3.029 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.446 -0.938 6.215 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.164 0.039 6.969 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.905 -0.682 5.362 1.00 0.20 H new ATOM 648 N VAL A 40 77.745 4.687 6.857 1.00 0.13 N ATOM 649 CA VAL A 40 78.371 5.166 8.126 1.00 0.12 C ATOM 650 C VAL A 40 77.366 5.046 9.276 1.00 0.16 C ATOM 651 O VAL A 40 76.286 5.607 9.230 1.00 0.20 O ATOM 652 CB VAL A 40 78.725 6.637 7.879 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.411 7.219 9.121 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.677 6.751 6.683 1.00 0.16 C ATOM 0 H VAL A 40 76.779 4.983 6.716 1.00 0.13 H new ATOM 0 HA VAL A 40 79.251 4.582 8.397 1.00 0.12 H new ATOM 0 HB VAL A 40 77.809 7.190 7.670 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.661 8.265 8.942 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.738 7.148 9.975 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.322 6.658 9.330 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.924 7.799 6.513 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.589 6.192 6.890 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.195 6.343 5.794 1.00 0.16 H new ATOM 664 N LYS A 41 77.755 4.389 10.337 1.00 0.17 N ATOM 665 CA LYS A 41 76.884 4.302 11.546 1.00 0.22 C ATOM 666 C LYS A 41 77.726 4.517 12.800 1.00 0.21 C ATOM 667 O LYS A 41 78.893 4.186 12.832 1.00 0.22 O ATOM 668 CB LYS A 41 76.291 2.891 11.521 1.00 0.28 C ATOM 669 CG LYS A 41 75.381 2.677 12.740 1.00 0.54 C ATOM 670 CD LYS A 41 74.201 3.652 12.690 1.00 1.11 C ATOM 671 CE LYS A 41 73.135 3.218 13.698 1.00 1.50 C ATOM 672 NZ LYS A 41 72.471 4.481 14.125 1.00 1.98 N ATOM 0 H LYS A 41 78.649 3.904 10.418 1.00 0.17 H new ATOM 0 HA LYS A 41 76.100 5.059 11.551 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.722 2.744 10.603 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.092 2.152 11.522 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.015 1.650 12.755 1.00 0.54 H new ATOM 0 HG3 LYS A 41 75.948 2.827 13.659 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.541 4.662 12.917 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.778 3.676 11.686 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.421 2.530 13.245 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.582 2.701 14.547 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.848 4.289 14.935 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 73.193 5.177 14.401 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 71.908 4.860 13.338 1.00 1.98 H new ATOM 686 N TYR A 42 77.151 5.116 13.807 1.00 0.20 N ATOM 687 CA TYR A 42 77.929 5.417 15.048 1.00 0.20 C ATOM 688 C TYR A 42 77.526 4.463 16.176 1.00 0.27 C ATOM 689 O TYR A 42 76.356 4.318 16.483 1.00 0.33 O ATOM 690 CB TYR A 42 77.565 6.858 15.405 1.00 0.22 C ATOM 691 CG TYR A 42 78.537 7.378 16.436 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.816 7.878 16.021 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.185 7.373 17.827 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.745 8.372 16.996 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.114 7.868 18.803 1.00 0.25 C ATOM 696 CZ TYR A 42 80.393 8.368 18.387 1.00 0.28 C ATOM 697 OH TYR A 42 81.287 8.843 19.325 1.00 0.33 O ATOM 0 H TYR A 42 76.175 5.411 13.826 1.00 0.20 H new ATOM 0 HA TYR A 42 79.002 5.293 14.901 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.594 7.484 14.513 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.547 6.903 15.793 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.080 7.882 14.974 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.222 6.997 18.139 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.709 8.747 16.683 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.850 7.864 19.850 1.00 0.25 H new ATOM 0 HH TYR A 42 80.892 8.771 20.219 1.00 0.33 H new ATOM 759 N PRO A 47 82.822 5.920 15.510 1.00 0.25 N ATOM 760 CA PRO A 47 82.053 5.699 14.263 1.00 0.21 C ATOM 761 C PRO A 47 82.579 4.456 13.530 1.00 0.27 C ATOM 762 O PRO A 47 83.773 4.230 13.462 1.00 0.34 O ATOM 763 CB PRO A 47 82.289 6.964 13.427 1.00 0.24 C ATOM 764 CG PRO A 47 83.173 7.859 14.246 1.00 0.33 C ATOM 765 CD PRO A 47 83.760 7.039 15.363 1.00 0.31 C ATOM 0 HA PRO A 47 80.993 5.528 14.451 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.761 6.718 12.476 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.345 7.458 13.196 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.965 8.282 13.627 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.601 8.695 14.648 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.763 6.690 15.118 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.840 7.617 16.284 1.00 0.31 H new ATOM 773 N LYS A 48 81.707 3.739 12.866 1.00 0.26 N ATOM 774 CA LYS A 48 82.152 2.608 11.994 1.00 0.35 C ATOM 775 C LYS A 48 81.701 2.863 10.554 1.00 0.28 C ATOM 776 O LYS A 48 80.613 3.356 10.322 1.00 0.24 O ATOM 777 CB LYS A 48 81.464 1.366 12.558 1.00 0.45 C ATOM 778 CG LYS A 48 81.912 1.140 14.003 1.00 0.60 C ATOM 779 CD LYS A 48 83.398 0.784 14.020 1.00 0.47 C ATOM 780 CE LYS A 48 83.812 0.379 15.437 1.00 0.48 C ATOM 781 NZ LYS A 48 85.000 -0.500 15.253 1.00 1.10 N ATOM 0 H LYS A 48 80.699 3.890 12.891 1.00 0.26 H new ATOM 0 HA LYS A 48 83.236 2.494 11.982 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.382 1.488 12.518 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.710 0.495 11.950 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.734 2.037 14.596 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.329 0.338 14.456 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.595 -0.033 13.325 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.990 1.636 13.687 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.057 1.252 16.042 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.006 -0.148 15.949 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.343 -0.819 16.182 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 84.735 -1.326 14.679 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.753 0.030 14.770 1.00 1.10 H new ATOM 795 N GLU A 49 82.550 2.590 9.595 1.00 0.26 N ATOM 796 CA GLU A 49 82.201 2.882 8.170 1.00 0.20 C ATOM 797 C GLU A 49 82.563 1.699 7.271 1.00 0.19 C ATOM 798 O GLU A 49 83.344 0.842 7.642 1.00 0.21 O ATOM 799 CB GLU A 49 83.036 4.109 7.800 1.00 0.25 C ATOM 800 CG GLU A 49 82.640 5.290 8.695 1.00 0.80 C ATOM 801 CD GLU A 49 83.415 6.555 8.290 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.431 6.431 7.620 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.976 7.631 8.661 1.00 1.42 O ATOM 0 H GLU A 49 83.472 2.177 9.737 1.00 0.26 H new ATOM 0 HA GLU A 49 81.133 3.057 8.041 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.097 3.889 7.919 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.880 4.365 6.752 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.568 5.472 8.615 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.845 5.049 9.738 1.00 0.80 H new ATOM 810 N GLY A 50 82.021 1.671 6.079 1.00 0.16 N ATOM 811 CA GLY A 50 82.345 0.575 5.122 1.00 0.16 C ATOM 812 C GLY A 50 82.032 1.029 3.697 1.00 0.15 C ATOM 813 O GLY A 50 80.975 1.567 3.434 1.00 0.17 O ATOM 0 H GLY A 50 81.363 2.367 5.728 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.398 0.305 5.205 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.767 -0.317 5.365 1.00 0.16 H new ATOM 817 N THR A 51 82.916 0.755 2.768 1.00 0.14 N ATOM 818 CA THR A 51 82.645 1.104 1.340 1.00 0.14 C ATOM 819 C THR A 51 82.716 -0.156 0.478 1.00 0.13 C ATOM 820 O THR A 51 83.631 -0.950 0.613 1.00 0.15 O ATOM 821 CB THR A 51 83.760 2.073 0.936 1.00 0.16 C ATOM 822 OG1 THR A 51 83.989 3.004 1.982 1.00 0.18 O ATOM 823 CG2 THR A 51 83.349 2.821 -0.335 1.00 0.21 C ATOM 0 H THR A 51 83.815 0.304 2.939 1.00 0.14 H new ATOM 0 HA THR A 51 81.656 1.544 1.208 1.00 0.14 H new ATOM 0 HB THR A 51 84.675 1.512 0.749 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.935 2.983 2.237 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.142 3.511 -0.624 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.180 2.105 -1.140 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.432 3.380 -0.148 1.00 0.21 H new ATOM 831 N PHE A 52 81.798 -0.315 -0.445 1.00 0.12 N ATOM 832 CA PHE A 52 81.859 -1.494 -1.365 1.00 0.13 C ATOM 833 C PHE A 52 81.123 -1.203 -2.686 1.00 0.11 C ATOM 834 O PHE A 52 80.386 -0.239 -2.795 1.00 0.10 O ATOM 835 CB PHE A 52 81.217 -2.658 -0.570 1.00 0.14 C ATOM 836 CG PHE A 52 79.706 -2.526 -0.500 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.099 -1.531 0.339 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.885 -3.396 -1.291 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.669 -1.410 0.386 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.458 -3.274 -1.246 1.00 0.14 C ATOM 841 CZ PHE A 52 76.849 -2.283 -0.409 1.00 0.15 C ATOM 0 H PHE A 52 81.013 0.317 -0.601 1.00 0.12 H new ATOM 0 HA PHE A 52 82.879 -1.740 -1.660 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.478 -3.606 -1.040 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.627 -2.679 0.440 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.717 -0.875 0.934 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.343 -4.144 -1.921 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.210 -0.664 1.018 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.841 -3.929 -1.843 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.773 -2.192 -0.375 1.00 0.15 H new ATOM 851 N THR A 53 81.227 -2.101 -3.635 1.00 0.12 N ATOM 852 CA THR A 53 80.436 -1.968 -4.895 1.00 0.11 C ATOM 853 C THR A 53 79.307 -2.999 -4.899 1.00 0.11 C ATOM 854 O THR A 53 79.466 -4.102 -4.408 1.00 0.12 O ATOM 855 CB THR A 53 81.428 -2.253 -6.025 1.00 0.11 C ATOM 856 OG1 THR A 53 82.527 -1.359 -5.924 1.00 0.13 O ATOM 857 CG2 THR A 53 80.734 -2.065 -7.375 1.00 0.11 C ATOM 0 H THR A 53 81.829 -2.923 -3.589 1.00 0.12 H new ATOM 0 HA THR A 53 79.980 -0.983 -5.001 1.00 0.11 H new ATOM 0 HB THR A 53 81.787 -3.279 -5.945 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.164 -1.541 -6.646 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.441 -2.268 -8.179 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.892 -2.753 -7.450 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.374 -1.040 -7.459 1.00 0.11 H new ATOM 865 N ALA A 54 78.147 -2.623 -5.381 1.00 0.11 N ATOM 866 CA ALA A 54 76.975 -3.548 -5.336 1.00 0.13 C ATOM 867 C ALA A 54 76.149 -3.431 -6.616 1.00 0.13 C ATOM 868 O ALA A 54 75.965 -2.351 -7.147 1.00 0.11 O ATOM 869 CB ALA A 54 76.156 -3.091 -4.123 1.00 0.14 C ATOM 0 H ALA A 54 77.963 -1.713 -5.804 1.00 0.11 H new ATOM 0 HA ALA A 54 77.280 -4.591 -5.255 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.274 -3.723 -4.021 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.765 -3.169 -3.222 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.846 -2.055 -4.263 1.00 0.14 H new ATOM 875 N ARG A 55 75.582 -4.526 -7.062 1.00 0.15 N ATOM 876 CA ARG A 55 74.681 -4.479 -8.249 1.00 0.15 C ATOM 877 C ARG A 55 73.234 -4.305 -7.788 1.00 0.15 C ATOM 878 O ARG A 55 72.834 -4.836 -6.766 1.00 0.16 O ATOM 879 CB ARG A 55 74.856 -5.826 -8.948 1.00 0.19 C ATOM 880 CG ARG A 55 74.249 -5.755 -10.351 1.00 0.27 C ATOM 881 CD ARG A 55 74.264 -7.146 -10.987 1.00 0.45 C ATOM 882 NE ARG A 55 73.936 -6.925 -12.432 1.00 0.90 N ATOM 883 CZ ARG A 55 73.507 -7.907 -13.207 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.343 -9.131 -12.754 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.239 -7.654 -14.459 1.00 2.21 N ATOM 0 H ARG A 55 75.707 -5.451 -6.652 1.00 0.15 H new ATOM 0 HA ARG A 55 74.918 -3.648 -8.914 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.914 -6.081 -9.010 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.372 -6.613 -8.370 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.227 -5.379 -10.298 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.814 -5.056 -10.968 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.239 -7.620 -10.873 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.534 -7.802 -10.514 1.00 0.45 H new ATOM 0 HE ARG A 55 74.047 -5.992 -12.829 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.548 -9.345 -11.778 1.00 1.67 H new ATOM 0 HH12 ARG A 55 73.010 -9.866 -13.379 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.361 -6.710 -14.826 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.907 -8.400 -15.070 1.00 2.21 H new ATOM 899 N VAL A 56 72.452 -3.579 -8.539 1.00 0.14 N ATOM 900 CA VAL A 56 71.021 -3.374 -8.165 1.00 0.14 C ATOM 901 C VAL A 56 70.204 -4.604 -8.553 1.00 0.15 C ATOM 902 O VAL A 56 70.197 -5.025 -9.696 1.00 0.17 O ATOM 903 CB VAL A 56 70.578 -2.135 -8.953 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.083 -1.854 -8.722 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.402 -0.933 -8.485 1.00 0.17 C ATOM 0 H VAL A 56 72.743 -3.116 -9.400 1.00 0.14 H new ATOM 0 HA VAL A 56 70.880 -3.232 -7.094 1.00 0.14 H new ATOM 0 HB VAL A 56 70.737 -2.311 -10.017 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.787 -0.971 -9.289 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.496 -2.711 -9.052 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.905 -1.680 -7.661 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.096 -0.045 -9.038 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.237 -0.772 -7.420 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.460 -1.125 -8.663 1.00 0.17 H new ATOM 915 N GLY A 57 69.505 -5.163 -7.604 1.00 0.16 N ATOM 916 CA GLY A 57 68.658 -6.355 -7.884 1.00 0.19 C ATOM 917 C GLY A 57 67.190 -5.940 -7.982 1.00 0.18 C ATOM 918 O GLY A 57 66.860 -4.766 -8.059 1.00 0.16 O ATOM 0 H GLY A 57 69.485 -4.841 -6.636 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.974 -6.826 -8.815 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.784 -7.095 -7.093 1.00 0.19 H new ATOM 922 N GLU A 58 66.308 -6.901 -7.969 1.00 0.21 N ATOM 923 CA GLU A 58 64.847 -6.592 -8.055 1.00 0.22 C ATOM 924 C GLU A 58 64.417 -5.744 -6.855 1.00 0.22 C ATOM 925 O GLU A 58 65.026 -5.782 -5.803 1.00 0.24 O ATOM 926 CB GLU A 58 64.143 -7.953 -8.034 1.00 0.27 C ATOM 927 CG GLU A 58 62.639 -7.760 -8.267 1.00 0.81 C ATOM 928 CD GLU A 58 61.894 -9.105 -8.175 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.519 -10.106 -7.851 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.700 -9.107 -8.429 1.00 1.39 O ATOM 0 H GLU A 58 66.535 -7.893 -7.902 1.00 0.21 H new ATOM 0 HA GLU A 58 64.599 -6.025 -8.952 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.560 -8.601 -8.805 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.312 -8.446 -7.077 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.238 -7.066 -7.528 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.473 -7.313 -9.247 1.00 0.81 H new ATOM 937 N GLN A 59 63.380 -4.962 -7.018 1.00 0.25 N ATOM 938 CA GLN A 59 62.885 -4.082 -5.909 1.00 0.30 C ATOM 939 C GLN A 59 64.000 -3.190 -5.338 1.00 0.23 C ATOM 940 O GLN A 59 63.825 -2.598 -4.288 1.00 0.23 O ATOM 941 CB GLN A 59 62.358 -5.035 -4.831 1.00 0.37 C ATOM 942 CG GLN A 59 61.008 -5.606 -5.272 1.00 0.46 C ATOM 943 CD GLN A 59 60.520 -6.621 -4.239 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.994 -6.253 -3.207 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.672 -7.895 -4.475 1.00 0.81 N ATOM 0 H GLN A 59 62.846 -4.893 -7.884 1.00 0.25 H new ATOM 0 HA GLN A 59 62.115 -3.401 -6.272 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.070 -5.843 -4.665 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.250 -4.506 -3.884 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.279 -4.802 -5.380 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.104 -6.082 -6.248 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.113 -8.204 -5.341 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.349 -8.582 -3.794 1.00 0.81 H new ATOM 954 N GLY A 60 65.066 -2.959 -6.081 1.00 0.19 N ATOM 955 CA GLY A 60 66.079 -1.947 -5.636 1.00 0.16 C ATOM 956 C GLY A 60 66.919 -2.492 -4.474 1.00 0.12 C ATOM 957 O GLY A 60 67.457 -1.727 -3.690 1.00 0.12 O ATOM 0 H GLY A 60 65.273 -3.423 -6.965 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.730 -1.686 -6.470 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.574 -1.032 -5.328 1.00 0.16 H new ATOM 961 N SER A 61 66.967 -3.792 -4.305 1.00 0.14 N ATOM 962 CA SER A 61 67.703 -4.372 -3.140 1.00 0.16 C ATOM 963 C SER A 61 69.212 -4.358 -3.402 1.00 0.15 C ATOM 964 O SER A 61 69.658 -4.637 -4.500 1.00 0.18 O ATOM 965 CB SER A 61 67.199 -5.809 -3.016 1.00 0.21 C ATOM 966 OG SER A 61 65.779 -5.807 -2.962 1.00 1.30 O ATOM 0 H SER A 61 66.529 -4.475 -4.923 1.00 0.14 H new ATOM 0 HA SER A 61 67.532 -3.801 -2.227 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.541 -6.401 -3.865 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.608 -6.273 -2.119 1.00 0.21 H new ATOM 0 HG SER A 61 65.417 -5.797 -3.873 1.00 1.30 H new ATOM 972 N VAL A 62 69.992 -4.142 -2.375 1.00 0.14 N ATOM 973 CA VAL A 62 71.477 -4.234 -2.509 1.00 0.15 C ATOM 974 C VAL A 62 72.060 -4.950 -1.283 1.00 0.14 C ATOM 975 O VAL A 62 71.515 -4.864 -0.198 1.00 0.14 O ATOM 976 CB VAL A 62 71.963 -2.781 -2.598 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.569 -2.011 -1.334 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.485 -2.761 -2.750 1.00 0.21 C ATOM 0 H VAL A 62 69.661 -3.904 -1.440 1.00 0.14 H new ATOM 0 HA VAL A 62 71.790 -4.804 -3.383 1.00 0.15 H new ATOM 0 HB VAL A 62 71.499 -2.306 -3.462 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.920 -0.982 -1.411 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.484 -2.017 -1.227 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.022 -2.485 -0.463 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.831 -1.729 -2.813 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.943 -3.245 -1.888 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.767 -3.294 -3.658 1.00 0.21 H new ATOM 988 N ILE A 63 73.103 -5.726 -1.467 1.00 0.16 N ATOM 989 CA ILE A 63 73.655 -6.532 -0.331 1.00 0.17 C ATOM 990 C ILE A 63 75.035 -6.009 0.082 1.00 0.16 C ATOM 991 O ILE A 63 75.974 -6.036 -0.694 1.00 0.19 O ATOM 992 CB ILE A 63 73.766 -7.969 -0.867 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.397 -8.465 -1.376 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.260 -8.897 0.247 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.354 -8.422 -0.250 1.00 0.34 C ATOM 0 H ILE A 63 73.595 -5.836 -2.354 1.00 0.16 H new ATOM 0 HA ILE A 63 73.018 -6.474 0.552 1.00 0.17 H new ATOM 0 HB ILE A 63 74.474 -7.977 -1.696 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.066 -7.845 -2.209 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.491 -9.483 -1.754 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.338 -9.915 -0.135 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.239 -8.563 0.592 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.555 -8.875 1.078 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.395 -8.776 -0.629 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.678 -9.062 0.571 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.247 -7.398 0.108 1.00 0.34 H new ATOM 1007 N ILE A 64 75.187 -5.648 1.334 1.00 0.15 N ATOM 1008 CA ILE A 64 76.536 -5.253 1.853 1.00 0.16 C ATOM 1009 C ILE A 64 77.373 -6.518 2.127 1.00 0.18 C ATOM 1010 O ILE A 64 76.833 -7.517 2.548 1.00 0.20 O ATOM 1011 CB ILE A 64 76.258 -4.490 3.154 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.404 -3.254 2.853 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.579 -4.043 3.787 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.713 -2.786 4.136 1.00 0.32 C ATOM 0 H ILE A 64 74.434 -5.610 2.020 1.00 0.15 H new ATOM 0 HA ILE A 64 77.097 -4.642 1.145 1.00 0.16 H new ATOM 0 HB ILE A 64 75.727 -5.146 3.843 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.029 -2.456 2.452 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.660 -3.489 2.092 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.375 -3.502 4.711 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.191 -4.917 4.007 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.112 -3.391 3.095 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.105 -1.907 3.922 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.075 -3.584 4.518 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.465 -2.534 4.883 1.00 0.32 H new ATOM 1026 N PRO A 65 78.667 -6.450 1.887 1.00 0.19 N ATOM 1027 CA PRO A 65 79.543 -7.638 2.125 1.00 0.23 C ATOM 1028 C PRO A 65 79.570 -8.004 3.614 1.00 0.26 C ATOM 1029 O PRO A 65 79.730 -7.156 4.472 1.00 0.23 O ATOM 1030 CB PRO A 65 80.913 -7.158 1.648 1.00 0.26 C ATOM 1031 CG PRO A 65 80.842 -5.680 1.818 1.00 0.24 C ATOM 1032 CD PRO A 65 79.454 -5.305 1.394 1.00 0.21 C ATOM 0 HA PRO A 65 79.204 -8.536 1.609 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.719 -7.592 2.240 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.096 -7.434 0.610 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.029 -5.393 2.853 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.591 -5.176 1.207 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.131 -4.364 1.840 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.374 -5.189 0.313 1.00 0.21 H new ATOM 1040 N LYS A 66 79.417 -9.270 3.923 1.00 0.41 N ATOM 1041 CA LYS A 66 79.429 -9.720 5.357 1.00 0.51 C ATOM 1042 C LYS A 66 80.710 -9.264 6.061 1.00 0.44 C ATOM 1043 O LYS A 66 80.710 -8.973 7.243 1.00 0.42 O ATOM 1044 CB LYS A 66 79.369 -11.250 5.302 1.00 0.69 C ATOM 1045 CG LYS A 66 79.244 -11.806 6.722 1.00 0.96 C ATOM 1046 CD LYS A 66 79.246 -13.336 6.674 1.00 1.31 C ATOM 1047 CE LYS A 66 78.964 -13.892 8.071 1.00 1.89 C ATOM 1048 NZ LYS A 66 79.120 -15.367 7.936 1.00 2.62 N ATOM 0 H LYS A 66 79.283 -10.017 3.241 1.00 0.41 H new ATOM 0 HA LYS A 66 78.595 -9.296 5.917 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.520 -11.570 4.698 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.266 -11.643 4.824 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.070 -11.450 7.337 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.324 -11.447 7.185 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.491 -13.689 5.972 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.210 -13.698 6.315 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.660 -13.487 8.805 1.00 1.89 H new ATOM 0 HE3 LYS A 66 77.960 -13.630 8.405 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 78.942 -15.820 8.855 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 78.440 -15.725 7.235 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 80.087 -15.587 7.623 1.00 2.62 H new ATOM 1062 N ALA A 67 81.804 -9.226 5.342 1.00 0.43 N ATOM 1063 CA ALA A 67 83.108 -8.820 5.962 1.00 0.40 C ATOM 1064 C ALA A 67 83.001 -7.411 6.551 1.00 0.30 C ATOM 1065 O ALA A 67 83.525 -7.131 7.618 1.00 0.28 O ATOM 1066 CB ALA A 67 84.127 -8.844 4.819 1.00 0.45 C ATOM 0 H ALA A 67 81.853 -9.459 4.350 1.00 0.43 H new ATOM 0 HA ALA A 67 83.396 -9.486 6.776 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.107 -8.557 5.199 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.180 -9.849 4.400 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.820 -8.143 4.043 1.00 0.45 H new ATOM 1072 N LEU A 68 82.297 -6.537 5.878 1.00 0.27 N ATOM 1073 CA LEU A 68 82.123 -5.148 6.400 1.00 0.23 C ATOM 1074 C LEU A 68 81.087 -5.123 7.525 1.00 0.22 C ATOM 1075 O LEU A 68 81.211 -4.352 8.458 1.00 0.22 O ATOM 1076 CB LEU A 68 81.656 -4.304 5.207 1.00 0.28 C ATOM 1077 CG LEU A 68 82.791 -4.160 4.180 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.308 -3.312 3.002 1.00 1.24 C ATOM 1079 CD2 LEU A 68 84.001 -3.468 4.824 1.00 1.82 C ATOM 0 H LEU A 68 81.835 -6.726 4.989 1.00 0.27 H new ATOM 0 HA LEU A 68 83.051 -4.759 6.820 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.790 -4.771 4.739 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.340 -3.319 5.551 1.00 0.28 H new ATOM 0 HG LEU A 68 83.081 -5.152 3.834 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.112 -3.210 2.274 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.452 -3.796 2.532 1.00 1.24 H new ATOM 0 HD13 LEU A 68 82.015 -2.325 3.360 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.799 -3.371 4.088 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.710 -2.478 5.176 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.355 -4.063 5.666 1.00 1.82 H new ATOM 1091 N ARG A 69 80.084 -5.975 7.470 1.00 0.25 N ATOM 1092 CA ARG A 69 79.062 -6.003 8.572 1.00 0.28 C ATOM 1093 C ARG A 69 79.749 -6.275 9.913 1.00 0.25 C ATOM 1094 O ARG A 69 79.425 -5.676 10.922 1.00 0.26 O ATOM 1095 CB ARG A 69 78.132 -7.187 8.277 1.00 0.35 C ATOM 1096 CG ARG A 69 77.497 -7.092 6.888 1.00 0.46 C ATOM 1097 CD ARG A 69 76.408 -8.168 6.791 1.00 0.56 C ATOM 1098 NE ARG A 69 76.344 -8.563 5.348 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.883 -9.747 4.972 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.420 -10.623 5.838 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.875 -10.049 3.704 1.00 2.30 N ATOM 0 H ARG A 69 79.930 -6.646 6.717 1.00 0.25 H new ATOM 0 HA ARG A 69 78.529 -5.054 8.623 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.695 -8.117 8.354 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.346 -7.226 9.032 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.069 -6.102 6.731 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.250 -7.240 6.114 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.650 -9.025 7.420 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.447 -7.783 7.133 1.00 0.56 H new ATOM 0 HE ARG A 69 76.663 -7.905 4.637 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.409 -10.399 6.833 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.072 -11.526 5.514 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.220 -9.378 3.018 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.523 -10.956 3.398 1.00 2.30 H new ATOM 1115 N ASP A 70 80.629 -7.245 9.929 1.00 0.25 N ATOM 1116 CA ASP A 70 81.279 -7.657 11.210 1.00 0.25 C ATOM 1117 C ASP A 70 82.243 -6.575 11.692 1.00 0.22 C ATOM 1118 O ASP A 70 82.239 -6.207 12.851 1.00 0.22 O ATOM 1119 CB ASP A 70 82.044 -8.946 10.885 1.00 0.27 C ATOM 1120 CG ASP A 70 81.061 -10.043 10.464 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.931 -10.017 10.927 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.455 -10.895 9.684 1.00 1.56 O ATOM 0 H ASP A 70 80.926 -7.771 9.107 1.00 0.25 H new ATOM 0 HA ASP A 70 80.547 -7.808 12.003 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.761 -8.762 10.085 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.614 -9.271 11.756 1.00 0.27 H new ATOM 1127 N VAL A 71 83.071 -6.067 10.811 1.00 0.21 N ATOM 1128 CA VAL A 71 84.067 -5.022 11.223 1.00 0.21 C ATOM 1129 C VAL A 71 83.334 -3.790 11.770 1.00 0.21 C ATOM 1130 O VAL A 71 83.803 -3.135 12.684 1.00 0.22 O ATOM 1131 CB VAL A 71 84.839 -4.682 9.937 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.831 -3.544 10.196 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.603 -5.920 9.464 1.00 0.28 C ATOM 0 H VAL A 71 83.102 -6.329 9.826 1.00 0.21 H new ATOM 0 HA VAL A 71 84.736 -5.365 12.012 1.00 0.21 H new ATOM 0 HB VAL A 71 84.130 -4.366 9.172 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.370 -3.315 9.277 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.290 -2.659 10.530 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.540 -3.848 10.966 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.152 -5.683 8.552 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.304 -6.233 10.238 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.899 -6.728 9.264 1.00 0.28 H new ATOM 1143 N ILE A 72 82.231 -3.441 11.169 1.00 0.21 N ATOM 1144 CA ILE A 72 81.493 -2.208 11.587 1.00 0.22 C ATOM 1145 C ILE A 72 80.598 -2.493 12.809 1.00 0.22 C ATOM 1146 O ILE A 72 80.240 -1.582 13.535 1.00 0.23 O ATOM 1147 CB ILE A 72 80.650 -1.812 10.363 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.578 -1.557 9.167 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.862 -0.531 10.662 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.743 -1.305 7.910 1.00 0.28 C ATOM 0 H ILE A 72 81.803 -3.958 10.401 1.00 0.21 H new ATOM 0 HA ILE A 72 82.170 -1.408 11.888 1.00 0.22 H new ATOM 0 HB ILE A 72 79.956 -2.620 10.133 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.218 -0.698 9.368 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.233 -2.414 9.014 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.268 -0.258 9.790 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.202 -0.700 11.513 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.556 0.277 10.896 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.405 -1.124 7.063 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.122 -2.177 7.705 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.106 -0.434 8.065 1.00 0.28 H new ATOM 1162 N GLY A 73 80.302 -3.746 13.091 1.00 0.21 N ATOM 1163 CA GLY A 73 79.509 -4.072 14.319 1.00 0.21 C ATOM 1164 C GLY A 73 78.028 -3.759 14.075 1.00 0.20 C ATOM 1165 O GLY A 73 77.348 -3.248 14.946 1.00 0.22 O ATOM 0 H GLY A 73 80.575 -4.550 12.525 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.631 -5.125 14.574 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.878 -3.494 15.166 1.00 0.21 H new ATOM 1169 N ILE A 74 77.557 -3.969 12.870 1.00 0.20 N ATOM 1170 CA ILE A 74 76.149 -3.583 12.527 1.00 0.21 C ATOM 1171 C ILE A 74 75.190 -4.750 12.793 1.00 0.21 C ATOM 1172 O ILE A 74 75.536 -5.903 12.616 1.00 0.23 O ATOM 1173 CB ILE A 74 76.172 -3.233 11.032 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.203 -2.120 10.755 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.783 -2.760 10.595 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.873 -0.860 11.569 1.00 0.77 C ATOM 0 H ILE A 74 78.086 -4.391 12.107 1.00 0.20 H new ATOM 0 HA ILE A 74 75.801 -2.746 13.132 1.00 0.21 H new ATOM 0 HB ILE A 74 76.453 -4.123 10.468 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.203 -2.472 11.009 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.210 -1.881 9.692 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.800 -2.512 9.534 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.057 -3.554 10.770 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.502 -1.877 11.169 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.612 -0.087 11.359 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.882 -0.498 11.294 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.890 -1.099 12.632 1.00 0.77 H new ATOM 1188 N LYS A 75 74.006 -4.452 13.274 1.00 0.22 N ATOM 1189 CA LYS A 75 73.030 -5.531 13.624 1.00 0.24 C ATOM 1190 C LYS A 75 71.653 -5.253 12.985 1.00 0.24 C ATOM 1191 O LYS A 75 71.381 -4.140 12.574 1.00 0.23 O ATOM 1192 CB LYS A 75 72.929 -5.489 15.148 1.00 0.29 C ATOM 1193 CG LYS A 75 74.218 -6.040 15.762 1.00 1.19 C ATOM 1194 CD LYS A 75 74.496 -5.330 17.089 1.00 1.71 C ATOM 1195 CE LYS A 75 73.467 -5.774 18.131 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.353 -4.625 19.072 1.00 3.21 N ATOM 0 H LYS A 75 73.673 -3.502 13.440 1.00 0.22 H new ATOM 0 HA LYS A 75 73.351 -6.506 13.257 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.763 -4.465 15.484 1.00 0.29 H new ATOM 0 HB3 LYS A 75 72.074 -6.077 15.482 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.126 -7.114 15.924 1.00 1.19 H new ATOM 0 HG3 LYS A 75 75.052 -5.892 15.076 1.00 1.19 H new ATOM 0 HD2 LYS A 75 75.503 -5.563 17.435 1.00 1.71 H new ATOM 0 HD3 LYS A 75 74.448 -4.250 16.953 1.00 1.71 H new ATOM 0 HE2 LYS A 75 72.507 -6.001 17.667 1.00 2.52 H new ATOM 0 HE3 LYS A 75 73.792 -6.677 18.648 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 72.664 -4.853 19.817 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.280 -4.437 19.504 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 73.035 -3.782 18.553 1.00 3.21 H new ATOM 1210 N PRO A 76 70.819 -6.277 12.902 1.00 0.25 N ATOM 1211 CA PRO A 76 69.479 -6.098 12.281 1.00 0.26 C ATOM 1212 C PRO A 76 68.663 -5.044 13.039 1.00 0.24 C ATOM 1213 O PRO A 76 68.561 -5.080 14.250 1.00 0.23 O ATOM 1214 CB PRO A 76 68.820 -7.476 12.394 1.00 0.29 C ATOM 1215 CG PRO A 76 69.637 -8.238 13.390 1.00 0.50 C ATOM 1216 CD PRO A 76 71.023 -7.660 13.363 1.00 0.28 C ATOM 0 HA PRO A 76 69.544 -5.750 11.250 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.784 -7.388 12.723 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.806 -7.983 11.429 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.205 -8.154 14.387 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.658 -9.299 13.140 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.487 -7.688 14.349 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.674 -8.215 12.688 1.00 0.28 H new ATOM 1224 N GLY A 77 68.018 -4.158 12.317 1.00 0.24 N ATOM 1225 CA GLY A 77 67.127 -3.149 12.968 1.00 0.24 C ATOM 1226 C GLY A 77 67.893 -1.851 13.286 1.00 0.22 C ATOM 1227 O GLY A 77 67.316 -0.909 13.799 1.00 0.24 O ATOM 0 H GLY A 77 68.072 -4.091 11.301 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.286 -2.926 12.312 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.713 -3.565 13.887 1.00 0.24 H new ATOM 1231 N GLU A 78 69.172 -1.776 12.970 1.00 0.20 N ATOM 1232 CA GLU A 78 69.944 -0.521 13.239 1.00 0.20 C ATOM 1233 C GLU A 78 69.998 0.349 11.989 1.00 0.18 C ATOM 1234 O GLU A 78 70.223 -0.143 10.898 1.00 0.18 O ATOM 1235 CB GLU A 78 71.345 -0.977 13.645 1.00 0.20 C ATOM 1236 CG GLU A 78 71.412 -1.097 15.170 1.00 0.22 C ATOM 1237 CD GLU A 78 72.847 -1.409 15.613 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.583 -1.982 14.827 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.184 -1.066 16.735 1.00 1.11 O ATOM 0 H GLU A 78 69.708 -2.529 12.539 1.00 0.20 H new ATOM 0 HA GLU A 78 69.479 0.081 14.020 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.577 -1.936 13.182 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.090 -0.264 13.291 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.075 -0.168 15.631 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.739 -1.884 15.510 1.00 0.22 H new ATOM 1246 N VAL A 79 69.700 1.616 12.131 1.00 0.19 N ATOM 1247 CA VAL A 79 69.611 2.509 10.936 1.00 0.18 C ATOM 1248 C VAL A 79 70.958 3.183 10.658 1.00 0.18 C ATOM 1249 O VAL A 79 71.557 3.788 11.526 1.00 0.19 O ATOM 1250 CB VAL A 79 68.535 3.545 11.294 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.961 4.359 12.531 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.319 4.484 10.102 1.00 0.21 C ATOM 0 H VAL A 79 69.514 2.071 13.025 1.00 0.19 H new ATOM 0 HA VAL A 79 69.357 1.959 10.030 1.00 0.18 H new ATOM 0 HB VAL A 79 67.605 3.026 11.525 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.187 5.088 12.771 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.101 3.687 13.378 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.896 4.878 12.321 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.556 5.221 10.353 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.253 4.995 9.867 1.00 0.21 H new ATOM 0 HG23 VAL A 79 67.994 3.905 9.237 1.00 0.21 H new ATOM 1262 N ILE A 80 71.404 3.112 9.432 1.00 0.17 N ATOM 1263 CA ILE A 80 72.681 3.772 9.034 1.00 0.17 C ATOM 1264 C ILE A 80 72.401 4.825 7.954 1.00 0.17 C ATOM 1265 O ILE A 80 71.433 4.726 7.221 1.00 0.17 O ATOM 1266 CB ILE A 80 73.571 2.639 8.484 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.902 1.991 7.267 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.790 1.578 9.566 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.859 0.982 6.629 1.00 0.18 C ATOM 0 H ILE A 80 70.929 2.616 8.678 1.00 0.17 H new ATOM 0 HA ILE A 80 73.164 4.286 9.865 1.00 0.17 H new ATOM 0 HB ILE A 80 74.532 3.060 8.187 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.981 1.493 7.569 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.627 2.756 6.541 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.419 0.780 9.171 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.278 2.033 10.428 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.828 1.165 9.870 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.380 0.523 5.764 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.768 1.493 6.312 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.111 0.210 7.356 1.00 0.18 H new ATOM 1281 N GLU A 81 73.297 5.759 7.789 1.00 0.18 N ATOM 1282 CA GLU A 81 73.166 6.750 6.683 1.00 0.18 C ATOM 1283 C GLU A 81 74.015 6.292 5.502 1.00 0.17 C ATOM 1284 O GLU A 81 75.120 5.815 5.678 1.00 0.19 O ATOM 1285 CB GLU A 81 73.703 8.061 7.260 1.00 0.20 C ATOM 1286 CG GLU A 81 73.578 9.172 6.216 1.00 0.21 C ATOM 1287 CD GLU A 81 74.212 10.454 6.757 1.00 0.23 C ATOM 1288 OE1 GLU A 81 73.694 10.984 7.727 1.00 1.04 O ATOM 1289 OE2 GLU A 81 75.203 10.885 6.193 1.00 1.14 O ATOM 0 H GLU A 81 74.121 5.879 8.378 1.00 0.18 H new ATOM 0 HA GLU A 81 72.141 6.861 6.328 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.147 8.329 8.159 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.746 7.940 7.554 1.00 0.20 H new ATOM 0 HG2 GLU A 81 74.070 8.873 5.290 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.529 9.345 5.978 1.00 0.21 H new ATOM 1296 N VAL A 82 73.437 6.278 4.329 1.00 0.16 N ATOM 1297 CA VAL A 82 74.125 5.668 3.155 1.00 0.17 C ATOM 1298 C VAL A 82 74.416 6.736 2.098 1.00 0.16 C ATOM 1299 O VAL A 82 73.544 7.482 1.695 1.00 0.17 O ATOM 1300 CB VAL A 82 73.138 4.618 2.628 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.717 3.933 1.391 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.893 3.564 3.710 1.00 0.19 C ATOM 0 H VAL A 82 72.514 6.665 4.134 1.00 0.16 H new ATOM 0 HA VAL A 82 75.086 5.224 3.414 1.00 0.17 H new ATOM 0 HB VAL A 82 72.201 5.110 2.366 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.011 3.189 1.023 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.898 4.676 0.615 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.656 3.444 1.652 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.192 2.817 3.338 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.836 3.081 3.967 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.477 4.043 4.596 1.00 0.19 H new ATOM 1312 N LEU A 83 75.642 6.798 1.654 1.00 0.16 N ATOM 1313 CA LEU A 83 76.036 7.802 0.620 1.00 0.17 C ATOM 1314 C LEU A 83 76.474 7.073 -0.653 1.00 0.15 C ATOM 1315 O LEU A 83 77.401 6.289 -0.615 1.00 0.12 O ATOM 1316 CB LEU A 83 77.252 8.552 1.202 1.00 0.21 C ATOM 1317 CG LEU A 83 76.981 9.045 2.630 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.225 9.756 3.161 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.798 10.012 2.620 1.00 0.20 C ATOM 0 H LEU A 83 76.398 6.189 1.967 1.00 0.16 H new ATOM 0 HA LEU A 83 75.213 8.474 0.378 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.120 7.893 1.203 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.496 9.401 0.564 1.00 0.21 H new ATOM 0 HG LEU A 83 76.745 8.197 3.273 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.038 10.108 4.175 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.066 9.062 3.167 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.460 10.605 2.520 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.606 10.362 3.634 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.029 10.863 1.980 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.914 9.501 2.239 1.00 0.20 H new ATOM 1331 N LEU A 84 75.932 7.435 -1.790 1.00 0.16 N ATOM 1332 CA LEU A 84 76.459 6.879 -3.077 1.00 0.15 C ATOM 1333 C LEU A 84 77.729 7.627 -3.483 1.00 0.15 C ATOM 1334 O LEU A 84 77.876 8.801 -3.202 1.00 0.17 O ATOM 1335 CB LEU A 84 75.347 7.092 -4.101 1.00 0.18 C ATOM 1336 CG LEU A 84 74.362 5.922 -4.025 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.957 6.382 -4.455 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.852 4.804 -4.951 1.00 0.28 C ATOM 0 H LEU A 84 75.153 8.087 -1.884 1.00 0.16 H new ATOM 0 HA LEU A 84 76.722 5.824 -2.996 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.830 8.031 -3.904 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.768 7.164 -5.104 1.00 0.18 H new ATOM 0 HG LEU A 84 74.307 5.556 -3.000 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.265 5.542 -4.397 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.617 7.179 -3.793 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.993 6.752 -5.480 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.159 3.964 -4.906 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.905 5.176 -5.974 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.841 4.475 -4.633 1.00 0.28 H new ATOM 1350 N LEU A 85 78.690 6.926 -4.037 1.00 0.14 N ATOM 1351 CA LEU A 85 80.008 7.559 -4.339 1.00 0.17 C ATOM 1352 C LEU A 85 80.330 7.482 -5.835 1.00 0.18 C ATOM 1353 O LEU A 85 81.121 8.261 -6.337 1.00 0.24 O ATOM 1354 CB LEU A 85 81.023 6.757 -3.524 1.00 0.22 C ATOM 1355 CG LEU A 85 80.946 7.173 -2.052 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.872 6.283 -1.223 1.00 1.13 C ATOM 1357 CD2 LEU A 85 81.385 8.634 -1.909 1.00 1.60 C ATOM 0 H LEU A 85 78.616 5.941 -4.292 1.00 0.14 H new ATOM 0 HA LEU A 85 80.017 8.619 -4.083 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.821 5.690 -3.622 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.029 6.928 -3.908 1.00 0.22 H new ATOM 0 HG LEU A 85 79.921 7.065 -1.698 1.00 0.89 H new ATOM 0 HD11 LEU A 85 81.818 6.578 -0.175 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.563 5.243 -1.323 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.896 6.393 -1.579 1.00 1.13 H new ATOM 0 HD21 LEU A 85 81.330 8.930 -0.861 1.00 1.60 H new ATOM 0 HD22 LEU A 85 82.410 8.742 -2.263 1.00 1.60 H new ATOM 0 HD23 LEU A 85 80.728 9.271 -2.501 1.00 1.60 H new ATOM 1369 N GLY A 86 79.772 6.521 -6.540 1.00 0.16 N ATOM 1370 CA GLY A 86 80.115 6.372 -7.998 1.00 0.20 C ATOM 1371 C GLY A 86 79.142 5.417 -8.698 1.00 0.17 C ATOM 1372 O GLY A 86 78.218 4.909 -8.097 1.00 0.15 O ATOM 0 H GLY A 86 79.103 5.842 -6.177 1.00 0.16 H new ATOM 0 HA2 GLY A 86 80.085 7.347 -8.484 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.134 5.997 -8.099 1.00 0.20 H new ATOM 1376 N HIS A 87 79.336 5.200 -9.981 1.00 0.20 N ATOM 1377 CA HIS A 87 78.411 4.309 -10.756 1.00 0.19 C ATOM 1378 C HIS A 87 79.176 3.562 -11.862 1.00 0.19 C ATOM 1379 O HIS A 87 80.135 4.073 -12.411 1.00 0.24 O ATOM 1380 CB HIS A 87 77.361 5.254 -11.366 1.00 0.28 C ATOM 1381 CG HIS A 87 78.024 6.277 -12.256 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.278 6.036 -13.597 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.489 7.545 -12.008 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.870 7.134 -14.101 1.00 1.57 C ATOM 1385 NE2 HIS A 87 79.023 8.084 -13.175 1.00 1.89 N ATOM 0 H HIS A 87 80.098 5.604 -10.525 1.00 0.20 H new ATOM 0 HA HIS A 87 77.956 3.546 -10.124 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.636 4.678 -11.941 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.810 5.757 -10.571 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.447 8.048 -11.053 1.00 1.72 H new ATOM 0 HE1 HIS A 87 79.183 7.235 -15.130 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.441 9.006 -13.297 1.00 1.89 H new ATOM 1393 N TYR A 88 78.702 2.400 -12.247 1.00 0.16 N ATOM 1394 CA TYR A 88 79.333 1.659 -13.382 1.00 0.19 C ATOM 1395 C TYR A 88 78.250 1.051 -14.280 1.00 0.21 C ATOM 1396 O TYR A 88 77.235 0.575 -13.803 1.00 0.17 O ATOM 1397 CB TYR A 88 80.170 0.561 -12.726 1.00 0.21 C ATOM 1398 CG TYR A 88 81.304 1.188 -11.952 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.513 1.563 -12.629 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.175 1.411 -10.540 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.592 2.160 -11.896 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.254 2.007 -9.806 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.463 2.382 -10.484 1.00 0.65 C ATOM 1404 OH TYR A 88 84.500 2.955 -9.777 1.00 0.80 O ATOM 0 H TYR A 88 77.902 1.933 -11.821 1.00 0.16 H new ATOM 0 HA TYR A 88 79.941 2.307 -14.013 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.548 -0.037 -12.060 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.564 -0.114 -13.486 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.610 1.395 -13.691 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.265 1.130 -10.030 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.501 2.442 -12.406 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.157 2.174 -8.743 1.00 0.70 H new ATOM 0 HH TYR A 88 84.176 3.247 -8.899 1.00 0.80 H new