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= -1.26 K(o=-1.3,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -7:sc= -2.02 USER MOD Single : A 12 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.43) USER MOD Single : A 23 THR OG1 : rot -100:sc= -1.14 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -177:sc= -1.02 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -1.49 (180deg=-1.81) 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 130:sc= -2.62 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.00918) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0816 K(o=-0.082,f=-0.81) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.903 12.998 -3.663 1.00 0.40 N ATOM 33 CA VAL A 3 77.945 11.874 -3.494 1.00 0.33 C ATOM 34 C VAL A 3 76.806 12.009 -4.514 1.00 0.31 C ATOM 35 O VAL A 3 76.371 13.105 -4.824 1.00 0.37 O ATOM 36 CB VAL A 3 77.460 11.993 -2.032 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.425 13.119 -1.853 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.841 10.663 -1.595 1.00 0.30 C ATOM 0 HA VAL A 3 78.384 10.892 -3.673 1.00 0.33 H new ATOM 0 HB VAL A 3 78.325 12.236 -1.415 1.00 0.36 H new ATOM 0 HG11 VAL A 3 76.114 13.164 -0.809 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.870 14.071 -2.141 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.558 12.919 -2.482 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.498 10.743 -0.564 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.996 10.425 -2.241 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.588 9.873 -1.668 1.00 0.30 H new ATOM 48 N LEU A 4 76.364 10.914 -5.067 1.00 0.26 N ATOM 49 CA LEU A 4 75.298 10.975 -6.112 1.00 0.28 C ATOM 50 C LEU A 4 73.902 10.949 -5.467 1.00 0.28 C ATOM 51 O LEU A 4 72.933 11.375 -6.068 1.00 0.30 O ATOM 52 CB LEU A 4 75.524 9.739 -7.007 1.00 0.27 C ATOM 53 CG LEU A 4 76.994 9.654 -7.487 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.136 8.511 -8.494 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.430 10.972 -8.151 1.00 0.37 C ATOM 0 H LEU A 4 76.695 9.976 -4.841 1.00 0.26 H new ATOM 0 HA LEU A 4 75.349 11.897 -6.690 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.267 8.835 -6.455 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.859 9.785 -7.870 1.00 0.27 H new ATOM 0 HG LEU A 4 77.630 9.472 -6.621 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.170 8.451 -8.832 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.854 7.571 -8.020 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.485 8.696 -9.348 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.466 10.888 -8.480 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.791 11.175 -9.011 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.342 11.788 -7.433 1.00 0.37 H new ATOM 67 N ALA A 5 73.803 10.525 -4.222 1.00 0.25 N ATOM 68 CA ALA A 5 72.487 10.556 -3.507 1.00 0.25 C ATOM 69 C ALA A 5 72.692 10.205 -2.031 1.00 0.23 C ATOM 70 O ALA A 5 73.649 9.544 -1.676 1.00 0.25 O ATOM 71 CB ALA A 5 71.620 9.499 -4.193 1.00 0.26 C ATOM 0 H ALA A 5 74.581 10.159 -3.673 1.00 0.25 H new ATOM 0 HA ALA A 5 72.021 11.540 -3.547 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.639 9.468 -3.718 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.505 9.751 -5.247 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.097 8.523 -4.104 1.00 0.26 H new ATOM 77 N LYS A 6 71.797 10.635 -1.178 1.00 0.22 N ATOM 78 CA LYS A 6 71.924 10.322 0.280 1.00 0.22 C ATOM 79 C LYS A 6 70.582 9.833 0.832 1.00 0.21 C ATOM 80 O LYS A 6 69.571 10.498 0.690 1.00 0.23 O ATOM 81 CB LYS A 6 72.318 11.650 0.932 1.00 0.24 C ATOM 82 CG LYS A 6 72.536 11.443 2.432 1.00 1.40 C ATOM 83 CD LYS A 6 72.639 12.802 3.126 1.00 1.50 C ATOM 84 CE LYS A 6 73.926 13.506 2.686 1.00 1.79 C ATOM 85 NZ LYS A 6 73.966 14.765 3.479 1.00 2.30 N ATOM 0 H LYS A 6 70.980 11.192 -1.429 1.00 0.22 H new ATOM 0 HA LYS A 6 72.654 9.537 0.475 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.228 12.036 0.472 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.538 12.393 0.767 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.711 10.869 2.854 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.445 10.866 2.602 1.00 1.40 H new ATOM 0 HD2 LYS A 6 71.773 13.416 2.877 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.636 12.671 4.208 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.802 12.887 2.883 1.00 1.79 H new ATOM 0 HE3 LYS A 6 73.917 13.713 1.616 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.821 15.303 3.233 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.124 15.336 3.266 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.981 14.536 4.493 1.00 2.30 H new ATOM 99 N PHE A 7 70.568 8.686 1.470 1.00 0.19 N ATOM 100 CA PHE A 7 69.289 8.162 2.046 1.00 0.19 C ATOM 101 C PHE A 7 69.559 7.319 3.301 1.00 0.17 C ATOM 102 O PHE A 7 70.676 6.924 3.560 1.00 0.16 O ATOM 103 CB PHE A 7 68.664 7.327 0.921 1.00 0.20 C ATOM 104 CG PHE A 7 69.551 6.153 0.562 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.770 6.366 -0.167 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.168 4.824 0.945 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.604 5.250 -0.510 1.00 0.19 C ATOM 108 CE2 PHE A 7 70.003 3.709 0.601 1.00 0.20 C ATOM 109 CZ PHE A 7 71.220 3.920 -0.125 1.00 0.20 C ATOM 0 H PHE A 7 71.384 8.092 1.616 1.00 0.19 H new ATOM 0 HA PHE A 7 68.621 8.960 2.369 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.684 6.966 1.233 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.508 7.952 0.042 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.059 7.366 -0.457 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.251 4.663 1.492 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.521 5.410 -1.058 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.714 2.709 0.890 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.848 3.080 -0.383 1.00 0.20 H new ATOM 119 N HIS A 8 68.549 7.102 4.108 1.00 0.18 N ATOM 120 CA HIS A 8 68.741 6.351 5.389 1.00 0.18 C ATOM 121 C HIS A 8 68.031 4.995 5.318 1.00 0.17 C ATOM 122 O HIS A 8 66.904 4.899 4.867 1.00 0.18 O ATOM 123 CB HIS A 8 68.091 7.227 6.464 1.00 0.20 C ATOM 124 CG HIS A 8 68.803 8.550 6.545 1.00 0.77 C ATOM 125 ND1 HIS A 8 69.939 8.731 7.317 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.547 9.766 5.963 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.321 10.015 7.180 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.506 10.690 6.366 1.00 1.99 N ATOM 0 H HIS A 8 67.594 7.415 3.933 1.00 0.18 H new ATOM 0 HA HIS A 8 69.793 6.156 5.596 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.038 7.384 6.230 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.131 6.723 7.430 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.726 9.974 5.294 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.182 10.446 7.669 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.572 11.672 6.097 1.00 1.99 H new ATOM 136 N THR A 9 68.667 3.961 5.807 1.00 0.16 N ATOM 137 CA THR A 9 68.026 2.610 5.830 1.00 0.17 C ATOM 138 C THR A 9 68.583 1.790 7.005 1.00 0.16 C ATOM 139 O THR A 9 69.656 2.076 7.498 1.00 0.15 O ATOM 140 CB THR A 9 68.366 1.974 4.466 1.00 0.17 C ATOM 141 OG1 THR A 9 67.631 0.768 4.315 1.00 0.18 O ATOM 142 CG2 THR A 9 69.867 1.674 4.359 1.00 0.17 C ATOM 0 H THR A 9 69.610 3.995 6.194 1.00 0.16 H new ATOM 0 HA THR A 9 66.947 2.655 5.974 1.00 0.17 H new ATOM 0 HB THR A 9 68.098 2.678 3.678 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.843 0.362 3.449 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.080 1.226 3.388 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.432 2.601 4.463 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.157 0.982 5.149 1.00 0.17 H new ATOM 150 N THR A 10 67.904 0.738 7.399 1.00 0.17 N ATOM 151 CA THR A 10 68.450 -0.141 8.480 1.00 0.17 C ATOM 152 C THR A 10 68.833 -1.510 7.897 1.00 0.17 C ATOM 153 O THR A 10 68.397 -1.873 6.817 1.00 0.17 O ATOM 154 CB THR A 10 67.334 -0.243 9.554 1.00 0.17 C ATOM 155 OG1 THR A 10 67.882 -0.763 10.753 1.00 0.17 O ATOM 156 CG2 THR A 10 66.190 -1.161 9.109 1.00 0.17 C ATOM 0 H THR A 10 67.001 0.452 7.021 1.00 0.17 H new ATOM 0 HA THR A 10 69.359 0.261 8.927 1.00 0.17 H new ATOM 0 HB THR A 10 66.934 0.759 9.706 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.809 -1.040 10.596 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.432 -1.203 9.891 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.746 -0.771 8.193 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.578 -2.163 8.926 1.00 0.17 H new ATOM 164 N VAL A 11 69.683 -2.232 8.576 1.00 0.17 N ATOM 165 CA VAL A 11 70.154 -3.546 8.040 1.00 0.17 C ATOM 166 C VAL A 11 69.081 -4.616 8.253 1.00 0.17 C ATOM 167 O VAL A 11 68.516 -4.733 9.321 1.00 0.17 O ATOM 168 CB VAL A 11 71.420 -3.889 8.837 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.005 -5.213 8.328 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.461 -2.773 8.666 1.00 0.49 C ATOM 0 H VAL A 11 70.074 -1.970 9.481 1.00 0.17 H new ATOM 0 HA VAL A 11 70.355 -3.500 6.970 1.00 0.17 H new ATOM 0 HB VAL A 11 71.163 -3.985 9.892 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.904 -5.455 8.895 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.270 -6.008 8.455 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.257 -5.117 7.272 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.358 -3.022 9.234 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.716 -2.672 7.611 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.049 -1.832 9.032 1.00 0.49 H new ATOM 180 N HIS A 12 68.875 -5.447 7.268 1.00 0.21 N ATOM 181 CA HIS A 12 67.930 -6.593 7.419 1.00 0.25 C ATOM 182 C HIS A 12 68.691 -7.906 7.287 1.00 0.25 C ATOM 183 O HIS A 12 69.880 -7.925 7.026 1.00 0.25 O ATOM 184 CB HIS A 12 66.903 -6.458 6.297 1.00 0.26 C ATOM 185 CG HIS A 12 65.802 -5.536 6.740 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.033 -4.204 7.044 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.461 -5.741 6.945 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.857 -3.663 7.413 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.865 -4.557 7.370 1.00 0.56 N ATOM 0 H HIS A 12 69.325 -5.381 6.355 1.00 0.21 H new ATOM 0 HA HIS A 12 67.444 -6.587 8.394 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.379 -6.068 5.397 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.494 -7.436 6.043 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.946 -6.679 6.799 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.731 -2.632 7.708 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.883 -4.405 7.599 1.00 0.56 H new ATOM 197 N ARG A 13 68.033 -9.002 7.557 1.00 0.29 N ATOM 198 CA ARG A 13 68.716 -10.344 7.554 1.00 0.32 C ATOM 199 C ARG A 13 69.594 -10.540 6.303 1.00 0.29 C ATOM 200 O ARG A 13 69.406 -9.894 5.292 1.00 0.24 O ATOM 201 CB ARG A 13 67.565 -11.351 7.552 1.00 0.36 C ATOM 202 CG ARG A 13 66.863 -11.332 8.913 1.00 0.72 C ATOM 203 CD ARG A 13 67.724 -12.065 9.946 1.00 1.16 C ATOM 204 NE ARG A 13 67.464 -13.518 9.707 1.00 1.81 N ATOM 205 CZ ARG A 13 66.365 -14.111 10.144 1.00 2.39 C ATOM 206 NH1 ARG A 13 65.440 -13.457 10.812 1.00 2.96 N ATOM 207 NH2 ARG A 13 66.195 -15.383 9.909 1.00 2.76 N ATOM 0 H ARG A 13 67.039 -9.032 7.783 1.00 0.29 H new ATOM 0 HA ARG A 13 69.385 -10.455 8.407 1.00 0.32 H new ATOM 0 HB2 ARG A 13 66.855 -11.106 6.762 1.00 0.36 H new ATOM 0 HB3 ARG A 13 67.944 -12.351 7.341 1.00 0.36 H new ATOM 0 HG2 ARG A 13 66.692 -10.303 9.231 1.00 0.72 H new ATOM 0 HG3 ARG A 13 65.886 -11.808 8.836 1.00 0.72 H new ATOM 0 HD2 ARG A 13 68.780 -11.827 9.819 1.00 1.16 H new ATOM 0 HD3 ARG A 13 67.452 -11.777 10.962 1.00 1.16 H new ATOM 0 HE ARG A 13 68.153 -14.067 9.193 1.00 1.81 H new ATOM 0 HH11 ARG A 13 65.559 -12.463 11.007 1.00 2.96 H new ATOM 0 HH12 ARG A 13 64.604 -13.944 11.135 1.00 2.96 H new ATOM 0 HH21 ARG A 13 66.904 -15.906 9.395 1.00 2.76 H new ATOM 0 HH22 ARG A 13 65.353 -15.855 10.239 1.00 2.76 H new ATOM 221 N ILE A 14 70.618 -11.358 6.418 1.00 0.34 N ATOM 222 CA ILE A 14 71.620 -11.560 5.303 1.00 0.34 C ATOM 223 C ILE A 14 72.396 -10.271 4.961 1.00 0.28 C ATOM 224 O ILE A 14 73.149 -10.252 4.003 1.00 0.29 O ATOM 225 CB ILE A 14 70.829 -12.035 4.067 1.00 0.36 C ATOM 226 CG1 ILE A 14 69.973 -13.256 4.419 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.811 -12.423 2.960 1.00 0.42 C ATOM 228 CD1 ILE A 14 68.975 -13.513 3.288 1.00 0.36 C ATOM 0 H ILE A 14 70.810 -11.909 7.255 1.00 0.34 H new ATOM 0 HA ILE A 14 72.364 -12.291 5.619 1.00 0.34 H new ATOM 0 HB ILE A 14 70.180 -11.226 3.732 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.608 -14.130 4.566 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.443 -13.086 5.356 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.257 -12.760 2.084 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.420 -11.559 2.694 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.457 -13.227 3.312 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.363 -14.381 3.533 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.334 -12.640 3.163 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.516 -13.701 2.361 1.00 0.36 H new ATOM 240 N GLY A 15 72.242 -9.204 5.721 1.00 0.24 N ATOM 241 CA GLY A 15 72.994 -7.945 5.416 1.00 0.20 C ATOM 242 C GLY A 15 72.337 -7.203 4.241 1.00 0.17 C ATOM 243 O GLY A 15 72.962 -6.364 3.616 1.00 0.15 O ATOM 0 H GLY A 15 71.629 -9.155 6.535 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.013 -7.302 6.296 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.030 -8.182 5.172 1.00 0.20 H new ATOM 247 N ARG A 16 71.112 -7.542 3.896 1.00 0.18 N ATOM 248 CA ARG A 16 70.451 -6.895 2.722 1.00 0.18 C ATOM 249 C ARG A 16 69.775 -5.588 3.145 1.00 0.19 C ATOM 250 O ARG A 16 69.155 -5.518 4.188 1.00 0.24 O ATOM 251 CB ARG A 16 69.409 -7.915 2.251 1.00 0.26 C ATOM 252 CG ARG A 16 68.687 -7.387 1.009 1.00 0.26 C ATOM 253 CD ARG A 16 67.562 -8.352 0.622 1.00 0.76 C ATOM 254 NE ARG A 16 68.250 -9.590 0.136 1.00 0.91 N ATOM 255 CZ ARG A 16 67.638 -10.467 -0.642 1.00 1.31 C ATOM 256 NH1 ARG A 16 66.392 -10.303 -1.031 1.00 1.96 N ATOM 257 NH2 ARG A 16 68.290 -11.527 -1.035 1.00 1.41 N ATOM 0 H ARG A 16 70.546 -8.239 4.380 1.00 0.18 H new ATOM 0 HA ARG A 16 71.160 -6.639 1.935 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.894 -8.865 2.024 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.689 -8.106 3.047 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.278 -6.396 1.207 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.391 -7.282 0.183 1.00 0.26 H new ATOM 0 HD2 ARG A 16 66.919 -8.569 1.475 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.927 -7.925 -0.154 1.00 0.76 H new ATOM 0 HE ARG A 16 69.217 -9.762 0.412 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.869 -9.480 -0.732 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.949 -10.999 -1.631 1.00 1.96 H new ATOM 0 HH21 ARG A 16 69.257 -11.669 -0.742 1.00 1.41 H new ATOM 0 HH22 ARG A 16 67.833 -12.213 -1.635 1.00 1.41 H new ATOM 271 N ILE A 17 69.774 -4.608 2.276 1.00 0.18 N ATOM 272 CA ILE A 17 68.986 -3.364 2.537 1.00 0.21 C ATOM 273 C ILE A 17 68.188 -2.992 1.282 1.00 0.19 C ATOM 274 O ILE A 17 68.600 -3.294 0.178 1.00 0.15 O ATOM 275 CB ILE A 17 70.018 -2.278 2.886 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.977 -2.054 1.708 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.821 -2.710 4.116 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.800 -0.782 1.939 1.00 0.30 C ATOM 0 H ILE A 17 70.287 -4.616 1.394 1.00 0.18 H new ATOM 0 HA ILE A 17 68.269 -3.488 3.348 1.00 0.21 H new ATOM 0 HB ILE A 17 69.490 -1.348 3.097 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.640 -2.912 1.600 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.412 -1.969 0.780 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.552 -1.940 4.362 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.146 -2.853 4.960 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.338 -3.646 3.903 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.478 -0.630 1.099 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.131 0.074 2.025 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.378 -0.884 2.858 1.00 0.30 H new ATOM 290 N ILE A 18 67.094 -2.286 1.437 1.00 0.23 N ATOM 291 CA ILE A 18 66.320 -1.830 0.240 1.00 0.20 C ATOM 292 C ILE A 18 66.310 -0.305 0.175 1.00 0.20 C ATOM 293 O ILE A 18 65.911 0.359 1.115 1.00 0.22 O ATOM 294 CB ILE A 18 64.891 -2.357 0.430 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.896 -3.884 0.639 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.056 -2.013 -0.810 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.566 -4.589 -0.548 1.00 0.24 C ATOM 0 H ILE A 18 66.705 -2.007 2.337 1.00 0.23 H new ATOM 0 HA ILE A 18 66.762 -2.199 -0.686 1.00 0.20 H new ATOM 0 HB ILE A 18 64.458 -1.888 1.314 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.425 -4.129 1.560 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.874 -4.244 0.753 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.040 -2.386 -0.679 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.032 -0.931 -0.944 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.502 -2.477 -1.689 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.560 -5.666 -0.382 1.00 0.24 H new ATOM 0 HD12 ILE A 18 65.020 -4.360 -1.463 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.595 -4.242 -0.643 1.00 0.24 H new ATOM 309 N ILE A 19 66.667 0.247 -0.957 1.00 0.17 N ATOM 310 CA ILE A 19 66.594 1.731 -1.123 1.00 0.17 C ATOM 311 C ILE A 19 65.145 2.139 -1.424 1.00 0.19 C ATOM 312 O ILE A 19 64.468 1.454 -2.163 1.00 0.17 O ATOM 313 CB ILE A 19 67.517 2.062 -2.307 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.944 1.572 -1.970 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.511 3.584 -2.531 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.952 2.002 -3.042 1.00 0.23 C ATOM 0 H ILE A 19 67.005 -0.264 -1.772 1.00 0.17 H new ATOM 0 HA ILE A 19 66.903 2.268 -0.226 1.00 0.17 H new ATOM 0 HB ILE A 19 67.173 1.569 -3.216 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.248 1.971 -1.002 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.946 0.486 -1.882 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.163 3.831 -3.369 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.496 3.915 -2.751 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.870 4.085 -1.632 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.945 1.641 -2.774 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.661 1.582 -4.005 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.968 3.090 -3.111 1.00 0.23 H new ATOM 328 N PRO A 20 64.729 3.288 -0.932 1.00 0.24 N ATOM 329 CA PRO A 20 63.375 3.802 -1.281 1.00 0.28 C ATOM 330 C PRO A 20 63.295 4.070 -2.775 1.00 0.26 C ATOM 331 O PRO A 20 64.257 4.495 -3.386 1.00 0.25 O ATOM 332 CB PRO A 20 63.276 5.103 -0.493 1.00 0.34 C ATOM 333 CG PRO A 20 64.700 5.504 -0.306 1.00 0.35 C ATOM 334 CD PRO A 20 65.432 4.223 -0.033 1.00 0.29 C ATOM 0 HA PRO A 20 62.570 3.106 -1.045 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.714 5.861 -1.038 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.771 4.957 0.462 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.090 6.000 -1.195 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.807 6.204 0.523 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.494 4.299 -0.268 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.358 3.922 1.012 1.00 0.29 H new ATOM 342 N ALA A 21 62.163 3.803 -3.370 1.00 0.28 N ATOM 343 CA ALA A 21 62.016 4.004 -4.846 1.00 0.29 C ATOM 344 C ALA A 21 62.323 5.459 -5.223 1.00 0.31 C ATOM 345 O ALA A 21 62.728 5.745 -6.335 1.00 0.32 O ATOM 346 CB ALA A 21 60.555 3.670 -5.160 1.00 0.33 C ATOM 0 H ALA A 21 61.329 3.453 -2.898 1.00 0.28 H new ATOM 0 HA ALA A 21 62.706 3.376 -5.410 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.374 3.796 -6.228 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.349 2.638 -4.876 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.901 4.338 -4.600 1.00 0.33 H new ATOM 352 N GLY A 22 62.132 6.376 -4.302 1.00 0.34 N ATOM 353 CA GLY A 22 62.403 7.816 -4.607 1.00 0.38 C ATOM 354 C GLY A 22 63.895 8.019 -4.881 1.00 0.37 C ATOM 355 O GLY A 22 64.272 8.704 -5.816 1.00 0.39 O ATOM 0 H GLY A 22 61.801 6.189 -3.356 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.820 8.129 -5.473 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.090 8.439 -3.769 1.00 0.38 H new ATOM 359 N THR A 23 64.744 7.432 -4.072 1.00 0.34 N ATOM 360 CA THR A 23 66.217 7.599 -4.282 1.00 0.34 C ATOM 361 C THR A 23 66.656 6.863 -5.548 1.00 0.30 C ATOM 362 O THR A 23 67.449 7.370 -6.318 1.00 0.32 O ATOM 363 CB THR A 23 66.884 6.994 -3.044 1.00 0.34 C ATOM 364 OG1 THR A 23 66.393 7.645 -1.881 1.00 0.39 O ATOM 365 CG2 THR A 23 68.400 7.184 -3.132 1.00 0.37 C ATOM 0 H THR A 23 64.482 6.847 -3.279 1.00 0.34 H new ATOM 0 HA THR A 23 66.493 8.646 -4.410 1.00 0.34 H new ATOM 0 HB THR A 23 66.656 5.929 -2.992 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.043 8.314 -1.581 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.873 6.753 -2.250 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.778 6.687 -4.026 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.631 8.248 -3.184 1.00 0.37 H new ATOM 373 N ARG A 24 66.092 5.702 -5.813 1.00 0.26 N ATOM 374 CA ARG A 24 66.428 4.969 -7.092 1.00 0.25 C ATOM 375 C ARG A 24 66.144 5.879 -8.293 1.00 0.28 C ATOM 376 O ARG A 24 66.869 5.889 -9.267 1.00 0.29 O ATOM 377 CB ARG A 24 65.508 3.737 -7.193 1.00 0.25 C ATOM 378 CG ARG A 24 65.419 2.971 -5.870 1.00 0.23 C ATOM 379 CD ARG A 24 65.081 1.509 -6.153 1.00 0.24 C ATOM 380 NE ARG A 24 64.301 1.056 -4.961 1.00 0.27 N ATOM 381 CZ ARG A 24 63.449 0.047 -5.026 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.254 -0.634 -6.135 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.787 -0.285 -3.953 1.00 0.39 N ATOM 0 H ARG A 24 65.419 5.231 -5.208 1.00 0.26 H new ATOM 0 HA ARG A 24 67.478 4.678 -7.089 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.510 4.055 -7.495 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.879 3.071 -7.972 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.365 3.040 -5.333 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.656 3.415 -5.230 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.498 1.409 -7.068 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.984 0.913 -6.284 1.00 0.24 H new ATOM 0 HE ARG A 24 64.430 1.539 -4.072 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.768 -0.389 -6.981 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.588 -1.407 -6.149 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.931 0.231 -3.085 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.125 -1.060 -3.982 1.00 0.39 H new ATOM 397 N LYS A 25 65.047 6.591 -8.234 1.00 0.32 N ATOM 398 CA LYS A 25 64.636 7.458 -9.379 1.00 0.37 C ATOM 399 C LYS A 25 65.647 8.588 -9.573 1.00 0.38 C ATOM 400 O LYS A 25 66.149 8.804 -10.660 1.00 0.40 O ATOM 401 CB LYS A 25 63.268 8.025 -8.978 1.00 0.42 C ATOM 402 CG LYS A 25 62.712 8.893 -10.104 1.00 1.08 C ATOM 403 CD LYS A 25 61.361 9.475 -9.682 1.00 1.68 C ATOM 404 CE LYS A 25 60.731 10.214 -10.864 1.00 2.42 C ATOM 405 NZ LYS A 25 59.934 9.180 -11.582 1.00 2.97 N ATOM 0 H LYS A 25 64.414 6.608 -7.435 1.00 0.32 H new ATOM 0 HA LYS A 25 64.589 6.907 -10.318 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.577 7.210 -8.761 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.363 8.615 -8.066 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.410 9.698 -10.335 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.597 8.300 -11.011 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.699 8.678 -9.344 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.493 10.157 -8.842 1.00 1.68 H new ATOM 0 HE2 LYS A 25 60.099 11.035 -10.525 1.00 2.42 H new ATOM 0 HE3 LYS A 25 61.494 10.645 -11.512 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.470 9.610 -12.407 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 60.563 8.415 -11.898 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.212 8.792 -10.942 1.00 2.97 H new ATOM 419 N PHE A 26 65.973 9.283 -8.514 1.00 0.38 N ATOM 420 CA PHE A 26 66.973 10.400 -8.609 1.00 0.42 C ATOM 421 C PHE A 26 68.307 9.888 -9.163 1.00 0.42 C ATOM 422 O PHE A 26 69.002 10.589 -9.876 1.00 0.46 O ATOM 423 CB PHE A 26 67.144 10.906 -7.171 1.00 0.43 C ATOM 424 CG PHE A 26 68.081 12.090 -7.152 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.630 13.372 -7.610 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.426 11.929 -6.677 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.523 14.496 -7.592 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.319 13.053 -6.659 1.00 0.64 C ATOM 429 CZ PHE A 26 69.868 14.335 -7.117 1.00 0.67 C ATOM 0 H PHE A 26 65.590 9.128 -7.581 1.00 0.38 H new ATOM 0 HA PHE A 26 66.639 11.189 -9.283 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.176 11.190 -6.759 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.538 10.109 -6.540 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.618 13.492 -7.969 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.766 10.963 -6.333 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.183 15.462 -7.936 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.331 12.933 -6.300 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.541 15.180 -7.105 1.00 0.67 H new ATOM 439 N TYR A 27 68.695 8.703 -8.776 1.00 0.39 N ATOM 440 CA TYR A 27 70.026 8.159 -9.200 1.00 0.42 C ATOM 441 C TYR A 27 69.923 7.419 -10.549 1.00 0.35 C ATOM 442 O TYR A 27 70.924 7.179 -11.198 1.00 0.37 O ATOM 443 CB TYR A 27 70.402 7.193 -8.073 1.00 0.46 C ATOM 444 CG TYR A 27 71.806 6.661 -8.251 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.090 5.675 -9.256 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.854 7.120 -7.387 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.418 5.155 -9.398 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.180 6.593 -7.524 1.00 1.16 C ATOM 449 CZ TYR A 27 74.461 5.610 -8.528 1.00 1.18 C ATOM 450 OH TYR A 27 75.733 5.099 -8.650 1.00 1.44 O ATOM 0 H TYR A 27 68.147 8.082 -8.181 1.00 0.39 H new ATOM 0 HA TYR A 27 70.769 8.942 -9.351 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.323 7.703 -7.113 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.696 6.363 -8.052 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.302 5.325 -9.906 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.644 7.863 -6.632 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.632 4.421 -10.160 1.00 1.10 H new ATOM 0 HE2 TYR A 27 74.968 6.937 -6.870 1.00 1.16 H new ATOM 0 HH TYR A 27 76.307 5.480 -7.953 1.00 1.44 H new ATOM 460 N GLY A 28 68.726 7.101 -11.001 1.00 0.31 N ATOM 461 CA GLY A 28 68.578 6.424 -12.326 1.00 0.29 C ATOM 462 C GLY A 28 68.982 4.949 -12.197 1.00 0.26 C ATOM 463 O GLY A 28 69.710 4.428 -13.023 1.00 0.27 O ATOM 0 H GLY A 28 67.852 7.283 -10.508 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.547 6.500 -12.672 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.202 6.919 -13.071 1.00 0.29 H new ATOM 467 N ILE A 29 68.571 4.296 -11.134 1.00 0.24 N ATOM 468 CA ILE A 29 68.991 2.873 -10.908 1.00 0.23 C ATOM 469 C ILE A 29 68.011 1.909 -11.583 1.00 0.20 C ATOM 470 O ILE A 29 66.834 1.892 -11.279 1.00 0.22 O ATOM 471 CB ILE A 29 68.973 2.668 -9.383 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.936 3.658 -8.726 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.411 1.237 -9.046 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.855 3.551 -7.199 1.00 0.42 C ATOM 0 H ILE A 29 67.963 4.686 -10.413 1.00 0.24 H new ATOM 0 HA ILE A 29 69.976 2.677 -11.331 1.00 0.23 H new ATOM 0 HB ILE A 29 67.962 2.834 -9.010 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.955 3.458 -9.057 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.693 4.673 -9.039 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.397 1.097 -7.965 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.727 0.528 -9.513 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.421 1.068 -9.420 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.547 4.262 -6.747 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.840 3.775 -6.872 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.121 2.540 -6.890 1.00 0.42 H new ATOM 486 N GLU A 30 68.538 0.995 -12.357 1.00 0.17 N ATOM 487 CA GLU A 30 67.702 -0.115 -12.902 1.00 0.18 C ATOM 488 C GLU A 30 68.395 -1.447 -12.611 1.00 0.17 C ATOM 489 O GLU A 30 69.587 -1.486 -12.365 1.00 0.18 O ATOM 490 CB GLU A 30 67.623 0.139 -14.409 1.00 0.22 C ATOM 491 CG GLU A 30 66.948 1.492 -14.666 1.00 1.06 C ATOM 492 CD GLU A 30 66.789 1.733 -16.176 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.487 1.092 -16.948 1.00 1.37 O ATOM 494 OE2 GLU A 30 65.973 2.566 -16.534 1.00 1.82 O ATOM 0 H GLU A 30 69.519 0.971 -12.636 1.00 0.17 H new ATOM 0 HA GLU A 30 66.707 -0.155 -12.458 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.623 0.132 -14.843 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.059 -0.658 -14.894 1.00 0.22 H new ATOM 0 HG2 GLU A 30 65.971 1.516 -14.183 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.542 2.292 -14.224 1.00 1.06 H new ATOM 501 N GLN A 31 67.663 -2.537 -12.615 1.00 0.20 N ATOM 502 CA GLN A 31 68.289 -3.866 -12.307 1.00 0.20 C ATOM 503 C GLN A 31 69.438 -4.153 -13.277 1.00 0.19 C ATOM 504 O GLN A 31 69.351 -3.875 -14.460 1.00 0.20 O ATOM 505 CB GLN A 31 67.178 -4.898 -12.488 1.00 0.25 C ATOM 506 CG GLN A 31 67.667 -6.266 -12.002 1.00 1.08 C ATOM 507 CD GLN A 31 66.547 -7.305 -12.137 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.406 -6.968 -12.391 1.00 0.70 O ATOM 509 NE2 GLN A 31 66.828 -8.569 -11.974 1.00 1.99 N ATOM 0 H GLN A 31 66.664 -2.565 -12.817 1.00 0.20 H new ATOM 0 HA GLN A 31 68.704 -3.889 -11.299 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.293 -4.597 -11.928 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.888 -4.955 -13.537 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.535 -6.578 -12.583 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.987 -6.198 -10.962 1.00 1.08 H new ATOM 0 HE21 GLN A 31 67.783 -8.856 -11.761 1.00 1.99 H new ATOM 0 HE22 GLN A 31 66.092 -9.270 -12.060 1.00 1.99 H new ATOM 518 N GLY A 32 70.503 -4.720 -12.778 1.00 0.18 N ATOM 519 CA GLY A 32 71.669 -5.052 -13.649 1.00 0.19 C ATOM 520 C GLY A 32 72.706 -3.917 -13.631 1.00 0.17 C ATOM 521 O GLY A 32 73.848 -4.125 -14.003 1.00 0.18 O ATOM 0 H GLY A 32 70.617 -4.970 -11.796 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.131 -5.978 -13.308 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.329 -5.223 -14.670 1.00 0.19 H new ATOM 525 N ASP A 33 72.343 -2.733 -13.173 1.00 0.15 N ATOM 526 CA ASP A 33 73.343 -1.617 -13.102 1.00 0.14 C ATOM 527 C ASP A 33 74.267 -1.815 -11.902 1.00 0.13 C ATOM 528 O ASP A 33 73.885 -2.424 -10.921 1.00 0.14 O ATOM 529 CB ASP A 33 72.519 -0.339 -12.934 1.00 0.13 C ATOM 530 CG ASP A 33 71.703 -0.066 -14.202 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.107 -0.513 -15.266 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.689 0.598 -14.087 1.00 1.07 O ATOM 0 H ASP A 33 71.405 -2.497 -12.849 1.00 0.15 H new ATOM 0 HA ASP A 33 73.972 -1.577 -13.991 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.852 -0.437 -12.078 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.179 0.504 -12.729 1.00 0.13 H new ATOM 537 N PHE A 34 75.438 -1.218 -11.929 1.00 0.12 N ATOM 538 CA PHE A 34 76.337 -1.275 -10.742 1.00 0.11 C ATOM 539 C PHE A 34 76.446 0.110 -10.116 1.00 0.10 C ATOM 540 O PHE A 34 76.652 1.088 -10.807 1.00 0.11 O ATOM 541 CB PHE A 34 77.693 -1.724 -11.284 1.00 0.12 C ATOM 542 CG PHE A 34 77.621 -3.175 -11.690 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.187 -3.531 -13.011 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.989 -4.199 -10.754 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.120 -4.912 -13.395 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.923 -5.579 -11.140 1.00 0.20 C ATOM 547 CZ PHE A 34 77.489 -5.936 -12.459 1.00 0.21 C ATOM 0 H PHE A 34 75.805 -0.695 -12.724 1.00 0.12 H new ATOM 0 HA PHE A 34 75.968 -1.953 -9.973 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.975 -1.110 -12.139 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.463 -1.586 -10.525 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.911 -2.760 -13.715 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.315 -3.931 -9.760 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.792 -5.181 -14.388 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.201 -6.350 -10.436 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.440 -6.975 -12.748 1.00 0.21 H new ATOM 557 N VAL A 35 76.423 0.183 -8.811 1.00 0.09 N ATOM 558 CA VAL A 35 76.655 1.489 -8.128 1.00 0.09 C ATOM 559 C VAL A 35 77.701 1.304 -7.026 1.00 0.10 C ATOM 560 O VAL A 35 77.872 0.218 -6.508 1.00 0.10 O ATOM 561 CB VAL A 35 75.290 1.908 -7.563 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.288 2.063 -8.714 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.772 0.847 -6.589 1.00 0.15 C ATOM 0 H VAL A 35 76.253 -0.607 -8.188 1.00 0.09 H new ATOM 0 HA VAL A 35 77.039 2.258 -8.798 1.00 0.09 H new ATOM 0 HB VAL A 35 75.403 2.855 -7.035 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.318 2.360 -8.315 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.645 2.825 -9.407 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.188 1.113 -9.240 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.804 1.156 -6.196 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.665 -0.104 -7.110 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.478 0.732 -5.766 1.00 0.15 H new ATOM 573 N GLU A 36 78.405 2.352 -6.677 1.00 0.12 N ATOM 574 CA GLU A 36 79.451 2.242 -5.620 1.00 0.13 C ATOM 575 C GLU A 36 79.041 3.117 -4.453 1.00 0.13 C ATOM 576 O GLU A 36 78.602 4.232 -4.660 1.00 0.13 O ATOM 577 CB GLU A 36 80.737 2.761 -6.265 1.00 0.14 C ATOM 578 CG GLU A 36 81.904 2.593 -5.288 1.00 0.15 C ATOM 579 CD GLU A 36 83.173 3.214 -5.881 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.052 4.166 -6.637 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.247 2.730 -5.565 1.00 1.03 O ATOM 0 H GLU A 36 78.298 3.282 -7.082 1.00 0.12 H new ATOM 0 HA GLU A 36 79.586 1.226 -5.250 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.940 2.216 -7.187 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.623 3.811 -6.534 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.665 3.070 -4.337 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.068 1.535 -5.082 1.00 0.15 H new ATOM 588 N ILE A 37 78.946 2.544 -3.282 1.00 0.12 N ATOM 589 CA ILE A 37 78.280 3.265 -2.164 1.00 0.11 C ATOM 590 C ILE A 37 79.024 3.040 -0.843 1.00 0.11 C ATOM 591 O ILE A 37 79.717 2.054 -0.672 1.00 0.12 O ATOM 592 CB ILE A 37 76.868 2.666 -2.130 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.033 3.361 -1.052 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.933 1.163 -1.835 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.539 3.187 -1.360 1.00 0.14 C ATOM 0 H ILE A 37 79.299 1.614 -3.055 1.00 0.12 H new ATOM 0 HA ILE A 37 78.267 4.346 -2.304 1.00 0.11 H new ATOM 0 HB ILE A 37 76.403 2.817 -3.104 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.263 2.941 -0.073 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.284 4.421 -1.011 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.924 0.752 -1.814 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.512 0.664 -2.613 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.410 1.002 -0.868 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.949 3.683 -0.590 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.314 3.628 -2.331 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.292 2.125 -1.378 1.00 0.14 H new ATOM 607 N LYS A 38 78.842 3.926 0.102 1.00 0.12 N ATOM 608 CA LYS A 38 79.485 3.758 1.439 1.00 0.13 C ATOM 609 C LYS A 38 78.469 3.997 2.556 1.00 0.13 C ATOM 610 O LYS A 38 77.600 4.837 2.442 1.00 0.14 O ATOM 611 CB LYS A 38 80.586 4.814 1.492 1.00 0.13 C ATOM 612 CG LYS A 38 81.499 4.513 2.677 1.00 0.18 C ATOM 613 CD LYS A 38 82.639 5.533 2.721 1.00 0.25 C ATOM 614 CE LYS A 38 83.610 5.170 3.848 1.00 1.03 C ATOM 615 NZ LYS A 38 83.982 6.472 4.468 1.00 1.11 N ATOM 0 H LYS A 38 78.271 4.765 0.003 1.00 0.12 H new ATOM 0 HA LYS A 38 79.877 2.750 1.575 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.158 4.810 0.564 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.151 5.808 1.594 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.930 4.549 3.606 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.903 3.505 2.590 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.164 5.548 1.766 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.239 6.534 2.881 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.141 4.506 4.575 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.487 4.651 3.462 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.647 6.307 5.250 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.432 7.080 3.754 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.128 6.940 4.833 1.00 1.11 H new ATOM 629 N ILE A 39 78.599 3.287 3.651 1.00 0.14 N ATOM 630 CA ILE A 39 77.667 3.492 4.806 1.00 0.14 C ATOM 631 C ILE A 39 78.425 4.035 6.017 1.00 0.13 C ATOM 632 O ILE A 39 79.581 3.718 6.228 1.00 0.13 O ATOM 633 CB ILE A 39 77.083 2.111 5.132 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.217 1.113 5.410 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.234 1.619 3.962 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.644 -0.154 6.047 1.00 0.20 C ATOM 0 H ILE A 39 79.312 2.572 3.795 1.00 0.14 H new ATOM 0 HA ILE A 39 76.887 4.213 4.559 1.00 0.14 H new ATOM 0 HB ILE A 39 76.456 2.191 6.020 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.731 0.864 4.482 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.956 1.563 6.073 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.822 0.638 4.199 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.420 2.321 3.783 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.854 1.546 3.068 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.451 -0.860 6.243 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.150 0.101 6.984 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.922 -0.608 5.368 1.00 0.20 H new ATOM 648 N VAL A 40 77.749 4.789 6.848 1.00 0.13 N ATOM 649 CA VAL A 40 78.381 5.293 8.103 1.00 0.12 C ATOM 650 C VAL A 40 77.385 5.184 9.261 1.00 0.16 C ATOM 651 O VAL A 40 76.313 5.761 9.227 1.00 0.20 O ATOM 652 CB VAL A 40 78.718 6.764 7.827 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.411 7.372 9.053 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.659 6.866 6.621 1.00 0.16 C ATOM 0 H VAL A 40 76.781 5.078 6.709 1.00 0.13 H new ATOM 0 HA VAL A 40 79.268 4.722 8.378 1.00 0.12 H new ATOM 0 HB VAL A 40 77.795 7.305 7.617 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.650 8.417 8.855 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.747 7.308 9.915 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.329 6.823 9.261 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.894 7.913 6.431 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.579 6.320 6.830 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.174 6.438 5.744 1.00 0.16 H new ATOM 664 N LYS A 41 77.776 4.522 10.318 1.00 0.17 N ATOM 665 CA LYS A 41 76.917 4.448 11.535 1.00 0.22 C ATOM 666 C LYS A 41 77.765 4.714 12.773 1.00 0.21 C ATOM 667 O LYS A 41 78.929 4.368 12.811 1.00 0.22 O ATOM 668 CB LYS A 41 76.376 3.022 11.569 1.00 0.28 C ATOM 669 CG LYS A 41 75.360 2.904 12.705 1.00 0.54 C ATOM 670 CD LYS A 41 74.960 1.442 12.891 1.00 1.11 C ATOM 671 CE LYS A 41 73.840 1.351 13.928 1.00 1.50 C ATOM 672 NZ LYS A 41 72.621 1.850 13.230 1.00 1.98 N ATOM 0 H LYS A 41 78.663 4.024 10.390 1.00 0.17 H new ATOM 0 HA LYS A 41 76.112 5.183 11.516 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.907 2.774 10.617 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.191 2.313 11.717 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.787 3.294 13.629 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.479 3.506 12.482 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.628 1.021 11.942 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.820 0.856 13.216 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.705 0.326 14.273 1.00 1.50 H new ATOM 0 HE3 LYS A 41 74.066 1.955 14.806 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.780 1.631 13.801 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 72.692 2.879 13.100 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 72.539 1.389 12.302 1.00 1.98 H new ATOM 686 N TYR A 42 77.194 5.317 13.783 1.00 0.20 N ATOM 687 CA TYR A 42 77.975 5.601 15.025 1.00 0.20 C ATOM 688 C TYR A 42 77.616 4.593 16.119 1.00 0.27 C ATOM 689 O TYR A 42 76.457 4.410 16.448 1.00 0.33 O ATOM 690 CB TYR A 42 77.573 7.016 15.438 1.00 0.22 C ATOM 691 CG TYR A 42 78.572 7.543 16.439 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.855 8.002 15.989 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.244 7.582 17.835 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.811 8.501 16.934 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.202 8.082 18.782 1.00 0.25 C ATOM 696 CZ TYR A 42 80.485 8.541 18.331 1.00 0.28 C ATOM 697 OH TYR A 42 81.404 9.021 19.241 1.00 0.33 O ATOM 0 H TYR A 42 76.222 5.625 13.802 1.00 0.20 H new ATOM 0 HA TYR A 42 79.050 5.519 14.863 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.538 7.667 14.564 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.573 7.011 15.872 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.101 7.972 14.938 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.279 7.236 18.174 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.776 8.847 16.595 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.957 8.112 19.833 1.00 0.25 H new ATOM 0 HH TYR A 42 81.023 8.980 20.143 1.00 0.33 H new ATOM 759 N PRO A 47 82.876 6.018 15.413 1.00 0.25 N ATOM 760 CA PRO A 47 82.088 5.784 14.181 1.00 0.21 C ATOM 761 C PRO A 47 82.595 4.528 13.458 1.00 0.27 C ATOM 762 O PRO A 47 83.783 4.361 13.255 1.00 0.34 O ATOM 763 CB PRO A 47 82.321 7.036 13.324 1.00 0.24 C ATOM 764 CG PRO A 47 83.250 7.925 14.099 1.00 0.33 C ATOM 765 CD PRO A 47 83.821 7.130 15.242 1.00 0.31 C ATOM 0 HA PRO A 47 81.030 5.622 14.387 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.755 6.770 12.360 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.379 7.545 13.120 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.049 8.292 13.455 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.716 8.798 14.473 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.824 6.769 15.015 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.896 7.732 16.148 1.00 0.31 H new ATOM 773 N LYS A 48 81.693 3.726 12.947 1.00 0.26 N ATOM 774 CA LYS A 48 82.096 2.570 12.088 1.00 0.35 C ATOM 775 C LYS A 48 81.656 2.830 10.645 1.00 0.28 C ATOM 776 O LYS A 48 80.590 3.367 10.409 1.00 0.24 O ATOM 777 CB LYS A 48 81.356 1.361 12.663 1.00 0.45 C ATOM 778 CG LYS A 48 81.773 1.139 14.118 1.00 0.60 C ATOM 779 CD LYS A 48 83.224 0.666 14.158 1.00 0.47 C ATOM 780 CE LYS A 48 83.584 0.232 15.581 1.00 0.48 C ATOM 781 NZ LYS A 48 85.073 0.208 15.611 1.00 1.10 N ATOM 0 H LYS A 48 80.688 3.824 13.090 1.00 0.26 H new ATOM 0 HA LYS A 48 83.174 2.412 12.080 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.279 1.521 12.605 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.579 0.473 12.072 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.664 2.063 14.685 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.124 0.399 14.586 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.365 -0.165 13.467 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.887 1.467 13.833 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.185 0.928 16.319 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.169 -0.749 15.812 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.397 -0.081 16.556 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 85.424 -0.468 14.903 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.440 1.157 15.395 1.00 1.10 H new ATOM 795 N GLU A 49 82.497 2.524 9.687 1.00 0.26 N ATOM 796 CA GLU A 49 82.163 2.832 8.261 1.00 0.20 C ATOM 797 C GLU A 49 82.502 1.650 7.351 1.00 0.19 C ATOM 798 O GLU A 49 83.241 0.757 7.725 1.00 0.21 O ATOM 799 CB GLU A 49 83.024 4.045 7.906 1.00 0.25 C ATOM 800 CG GLU A 49 82.646 5.227 8.808 1.00 0.80 C ATOM 801 CD GLU A 49 83.450 6.478 8.419 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.471 6.337 7.762 1.00 0.96 O ATOM 803 OE2 GLU A 49 83.026 7.561 8.787 1.00 1.42 O ATOM 0 H GLU A 49 83.401 2.074 9.831 1.00 0.26 H new ATOM 0 HA GLU A 49 81.099 3.028 8.128 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.080 3.803 8.030 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.879 4.313 6.859 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.579 5.432 8.722 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.838 4.973 9.850 1.00 0.80 H new ATOM 810 N GLY A 50 81.981 1.658 6.149 1.00 0.16 N ATOM 811 CA GLY A 50 82.280 0.560 5.184 1.00 0.16 C ATOM 812 C GLY A 50 81.999 1.037 3.759 1.00 0.15 C ATOM 813 O GLY A 50 80.961 1.604 3.487 1.00 0.17 O ATOM 0 H GLY A 50 81.358 2.383 5.795 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.322 0.255 5.277 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.670 -0.314 5.412 1.00 0.16 H new ATOM 817 N THR A 51 82.885 0.742 2.836 1.00 0.14 N ATOM 818 CA THR A 51 82.633 1.101 1.406 1.00 0.14 C ATOM 819 C THR A 51 82.716 -0.153 0.535 1.00 0.13 C ATOM 820 O THR A 51 83.632 -0.945 0.673 1.00 0.15 O ATOM 821 CB THR A 51 83.753 2.071 1.022 1.00 0.16 C ATOM 822 OG1 THR A 51 84.005 2.964 2.097 1.00 0.18 O ATOM 823 CG2 THR A 51 83.333 2.867 -0.218 1.00 0.21 C ATOM 0 H THR A 51 83.771 0.268 3.013 1.00 0.14 H new ATOM 0 HA THR A 51 81.646 1.542 1.266 1.00 0.14 H new ATOM 0 HB THR A 51 84.660 1.507 0.805 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.966 2.984 2.287 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.129 3.559 -0.493 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.146 2.181 -1.044 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.424 3.428 0.000 1.00 0.21 H new ATOM 831 N PHE A 52 81.813 -0.303 -0.406 1.00 0.12 N ATOM 832 CA PHE A 52 81.895 -1.467 -1.341 1.00 0.13 C ATOM 833 C PHE A 52 81.162 -1.168 -2.662 1.00 0.11 C ATOM 834 O PHE A 52 80.409 -0.215 -2.761 1.00 0.10 O ATOM 835 CB PHE A 52 81.266 -2.652 -0.567 1.00 0.14 C ATOM 836 CG PHE A 52 79.753 -2.537 -0.495 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.135 -1.551 0.347 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.940 -3.414 -1.287 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.704 -1.446 0.394 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.513 -3.309 -1.239 1.00 0.14 C ATOM 841 CZ PHE A 52 76.893 -2.327 -0.400 1.00 0.15 C ATOM 0 H PHE A 52 81.027 0.328 -0.565 1.00 0.12 H new ATOM 0 HA PHE A 52 82.920 -1.694 -1.633 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.537 -3.589 -1.054 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.677 -2.686 0.442 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.746 -0.890 0.944 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.405 -4.155 -1.921 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.237 -0.705 1.026 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.903 -3.971 -1.836 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.816 -2.249 -0.364 1.00 0.15 H new ATOM 851 N THR A 53 81.284 -2.051 -3.622 1.00 0.12 N ATOM 852 CA THR A 53 80.494 -1.916 -4.884 1.00 0.11 C ATOM 853 C THR A 53 79.381 -2.963 -4.901 1.00 0.11 C ATOM 854 O THR A 53 79.553 -4.064 -4.407 1.00 0.12 O ATOM 855 CB THR A 53 81.494 -2.174 -6.014 1.00 0.11 C ATOM 856 OG1 THR A 53 82.579 -1.264 -5.900 1.00 0.13 O ATOM 857 CG2 THR A 53 80.800 -1.981 -7.363 1.00 0.11 C ATOM 0 H THR A 53 81.900 -2.863 -3.585 1.00 0.12 H new ATOM 0 HA THR A 53 80.024 -0.937 -4.982 1.00 0.11 H new ATOM 0 HB THR A 53 81.869 -3.195 -5.944 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.221 -1.429 -6.622 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.512 -2.165 -8.168 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.968 -2.680 -7.448 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.425 -0.960 -7.436 1.00 0.11 H new ATOM 865 N ALA A 54 78.216 -2.598 -5.380 1.00 0.11 N ATOM 866 CA ALA A 54 77.054 -3.535 -5.331 1.00 0.13 C ATOM 867 C ALA A 54 76.223 -3.432 -6.609 1.00 0.13 C ATOM 868 O ALA A 54 76.032 -2.359 -7.149 1.00 0.11 O ATOM 869 CB ALA A 54 76.234 -3.082 -4.118 1.00 0.14 C ATOM 0 H ALA A 54 78.021 -1.690 -5.803 1.00 0.11 H new ATOM 0 HA ALA A 54 77.370 -4.575 -5.249 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.358 -3.722 -4.011 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.846 -3.151 -3.219 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.914 -2.050 -4.260 1.00 0.14 H new ATOM 875 N ARG A 55 75.660 -4.534 -7.042 1.00 0.15 N ATOM 876 CA ARG A 55 74.752 -4.505 -8.225 1.00 0.15 C ATOM 877 C ARG A 55 73.306 -4.344 -7.758 1.00 0.15 C ATOM 878 O ARG A 55 72.920 -4.861 -6.725 1.00 0.16 O ATOM 879 CB ARG A 55 74.943 -5.856 -8.913 1.00 0.19 C ATOM 880 CG ARG A 55 74.330 -5.805 -10.315 1.00 0.27 C ATOM 881 CD ARG A 55 74.380 -7.198 -10.945 1.00 0.45 C ATOM 882 NE ARG A 55 74.034 -6.990 -12.388 1.00 0.90 N ATOM 883 CZ ARG A 55 73.595 -7.980 -13.148 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.436 -9.200 -12.680 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.311 -7.740 -14.399 1.00 2.21 N ATOM 0 H ARG A 55 75.793 -5.455 -6.623 1.00 0.15 H new ATOM 0 HA ARG A 55 74.973 -3.677 -8.898 1.00 0.15 H new ATOM 0 HB2 ARG A 55 76.004 -6.097 -8.977 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.472 -6.645 -8.327 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.299 -5.456 -10.260 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.875 -5.094 -10.936 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.369 -7.643 -10.838 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.672 -7.873 -10.464 1.00 0.45 H new ATOM 0 HE ARG A 55 74.140 -6.061 -12.795 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.653 -9.404 -11.705 1.00 1.67 H new ATOM 0 HH12 ARG A 55 73.095 -9.941 -13.293 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.429 -6.800 -14.777 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.972 -8.492 -14.998 1.00 2.21 H new ATOM 899 N VAL A 56 72.508 -3.640 -8.516 1.00 0.14 N ATOM 900 CA VAL A 56 71.077 -3.445 -8.131 1.00 0.14 C ATOM 901 C VAL A 56 70.273 -4.694 -8.486 1.00 0.15 C ATOM 902 O VAL A 56 70.273 -5.149 -9.615 1.00 0.17 O ATOM 903 CB VAL A 56 70.607 -2.231 -8.941 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.112 -1.962 -8.690 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.424 -1.008 -8.518 1.00 0.17 C ATOM 0 H VAL A 56 72.785 -3.190 -9.388 1.00 0.14 H new ATOM 0 HA VAL A 56 70.946 -3.281 -7.061 1.00 0.14 H new ATOM 0 HB VAL A 56 70.750 -2.431 -10.003 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.795 -1.097 -9.273 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.530 -2.834 -8.989 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.951 -1.764 -7.630 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.098 -0.138 -9.088 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.276 -0.821 -7.454 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.481 -1.192 -8.710 1.00 0.17 H new ATOM 915 N GLY A 57 69.580 -5.233 -7.521 1.00 0.16 N ATOM 916 CA GLY A 57 68.748 -6.445 -7.764 1.00 0.19 C ATOM 917 C GLY A 57 67.275 -6.053 -7.875 1.00 0.18 C ATOM 918 O GLY A 57 66.930 -4.890 -8.004 1.00 0.16 O ATOM 0 H GLY A 57 69.555 -4.881 -6.564 1.00 0.16 H new ATOM 0 HA2 GLY A 57 69.071 -6.941 -8.679 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.883 -7.158 -6.951 1.00 0.19 H new ATOM 922 N GLU A 58 66.407 -7.025 -7.815 1.00 0.21 N ATOM 923 CA GLU A 58 64.941 -6.742 -7.916 1.00 0.22 C ATOM 924 C GLU A 58 64.496 -5.845 -6.757 1.00 0.22 C ATOM 925 O GLU A 58 65.083 -5.850 -5.692 1.00 0.24 O ATOM 926 CB GLU A 58 64.260 -8.113 -7.831 1.00 0.27 C ATOM 927 CG GLU A 58 62.753 -7.961 -8.076 1.00 0.81 C ATOM 928 CD GLU A 58 62.037 -9.318 -7.943 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.682 -10.293 -7.580 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.848 -9.357 -8.208 1.00 1.28 O ATOM 0 H GLU A 58 66.648 -8.009 -7.700 1.00 0.21 H new ATOM 0 HA GLU A 58 64.684 -6.220 -8.838 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.691 -8.790 -8.569 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.435 -8.556 -6.851 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.334 -7.252 -7.362 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.581 -7.550 -9.071 1.00 0.81 H new ATOM 937 N GLN A 59 63.465 -5.065 -6.967 1.00 0.25 N ATOM 938 CA GLN A 59 62.953 -4.144 -5.898 1.00 0.30 C ATOM 939 C GLN A 59 64.062 -3.243 -5.333 1.00 0.23 C ATOM 940 O GLN A 59 63.870 -2.615 -4.306 1.00 0.23 O ATOM 941 CB GLN A 59 62.395 -5.059 -4.803 1.00 0.37 C ATOM 942 CG GLN A 59 61.078 -5.676 -5.280 1.00 0.46 C ATOM 943 CD GLN A 59 60.656 -6.801 -4.331 1.00 0.56 C ATOM 944 OE1 GLN A 59 61.122 -6.883 -3.212 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.788 -7.685 -4.740 1.00 0.81 N ATOM 0 H GLN A 59 62.947 -5.025 -7.845 1.00 0.25 H new ATOM 0 HA GLN A 59 62.197 -3.468 -6.299 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.114 -5.844 -4.569 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.233 -4.491 -3.887 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.302 -4.912 -5.320 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.194 -6.066 -6.291 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.396 -7.618 -5.679 1.00 0.81 H new ATOM 0 HE22 GLN A 59 59.502 -8.443 -4.121 1.00 0.81 H new ATOM 954 N GLY A 60 65.142 -3.038 -6.066 1.00 0.19 N ATOM 955 CA GLY A 60 66.151 -2.017 -5.636 1.00 0.16 C ATOM 956 C GLY A 60 66.966 -2.524 -4.440 1.00 0.12 C ATOM 957 O GLY A 60 67.518 -1.736 -3.690 1.00 0.12 O ATOM 0 H GLY A 60 65.362 -3.530 -6.932 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.819 -1.788 -6.466 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.645 -1.089 -5.369 1.00 0.16 H new ATOM 961 N SER A 61 67.002 -3.818 -4.223 1.00 0.14 N ATOM 962 CA SER A 61 67.745 -4.361 -3.045 1.00 0.16 C ATOM 963 C SER A 61 69.250 -4.387 -3.334 1.00 0.15 C ATOM 964 O SER A 61 69.671 -4.671 -4.439 1.00 0.18 O ATOM 965 CB SER A 61 67.211 -5.781 -2.849 1.00 0.21 C ATOM 966 OG SER A 61 67.748 -6.628 -3.857 1.00 1.30 O ATOM 0 H SER A 61 66.550 -4.519 -4.810 1.00 0.14 H new ATOM 0 HA SER A 61 67.602 -3.750 -2.154 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.486 -6.152 -1.862 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.122 -5.783 -2.899 1.00 0.21 H new ATOM 0 HG SER A 61 67.409 -7.539 -3.733 1.00 1.30 H new ATOM 972 N VAL A 62 70.053 -4.183 -2.322 1.00 0.14 N ATOM 973 CA VAL A 62 71.534 -4.293 -2.485 1.00 0.15 C ATOM 974 C VAL A 62 72.134 -5.001 -1.261 1.00 0.14 C ATOM 975 O VAL A 62 71.595 -4.919 -0.173 1.00 0.14 O ATOM 976 CB VAL A 62 72.034 -2.847 -2.601 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.673 -2.057 -1.341 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.554 -2.846 -2.779 1.00 0.21 C ATOM 0 H VAL A 62 69.743 -3.943 -1.380 1.00 0.14 H new ATOM 0 HA VAL A 62 71.823 -4.877 -3.359 1.00 0.15 H new ATOM 0 HB VAL A 62 71.559 -2.378 -3.463 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.034 -1.033 -1.438 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.590 -2.050 -1.214 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.137 -2.525 -0.473 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.910 -1.819 -2.862 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.021 -3.324 -1.918 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.815 -3.394 -3.684 1.00 0.21 H new ATOM 988 N ILE A 63 73.182 -5.768 -1.453 1.00 0.16 N ATOM 989 CA ILE A 63 73.747 -6.570 -0.318 1.00 0.17 C ATOM 990 C ILE A 63 75.106 -6.009 0.114 1.00 0.16 C ATOM 991 O ILE A 63 76.054 -6.012 -0.650 1.00 0.19 O ATOM 992 CB ILE A 63 73.914 -7.996 -0.869 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.576 -8.530 -1.420 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.409 -8.920 0.248 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.503 -8.530 -0.324 1.00 0.34 C ATOM 0 H ILE A 63 73.669 -5.874 -2.343 1.00 0.16 H new ATOM 0 HA ILE A 63 73.097 -6.542 0.557 1.00 0.17 H new ATOM 0 HB ILE A 63 74.640 -7.971 -1.681 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.249 -7.913 -2.257 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.712 -9.541 -1.804 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.528 -9.931 -0.142 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.368 -8.560 0.620 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.684 -8.928 1.062 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.566 -8.910 -0.732 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.825 -9.167 0.500 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.354 -7.513 0.040 1.00 0.34 H new ATOM 1007 N ILE A 64 75.238 -5.665 1.374 1.00 0.15 N ATOM 1008 CA ILE A 64 76.576 -5.263 1.913 1.00 0.16 C ATOM 1009 C ILE A 64 77.423 -6.523 2.174 1.00 0.18 C ATOM 1010 O ILE A 64 76.887 -7.533 2.575 1.00 0.20 O ATOM 1011 CB ILE A 64 76.276 -4.526 3.225 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.406 -3.299 2.936 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.585 -4.072 3.876 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.879 -2.725 4.253 1.00 0.32 C ATOM 0 H ILE A 64 74.476 -5.645 2.052 1.00 0.15 H new ATOM 0 HA ILE A 64 77.136 -4.633 1.222 1.00 0.16 H new ATOM 0 HB ILE A 64 75.749 -5.200 3.900 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.987 -2.545 2.405 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.574 -3.575 2.288 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.366 -3.549 4.807 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.208 -4.942 4.086 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.114 -3.401 3.199 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.260 -1.852 4.047 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.283 -3.480 4.766 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.718 -2.434 4.885 1.00 0.32 H new ATOM 1026 N PRO A 65 78.717 -6.442 1.942 1.00 0.19 N ATOM 1027 CA PRO A 65 79.599 -7.628 2.161 1.00 0.23 C ATOM 1028 C PRO A 65 79.626 -8.018 3.644 1.00 0.26 C ATOM 1029 O PRO A 65 79.747 -7.177 4.516 1.00 0.23 O ATOM 1030 CB PRO A 65 80.965 -7.132 1.692 1.00 0.26 C ATOM 1031 CG PRO A 65 80.888 -5.658 1.891 1.00 0.24 C ATOM 1032 CD PRO A 65 79.498 -5.282 1.474 1.00 0.21 C ATOM 0 HA PRO A 65 79.267 -8.521 1.631 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.774 -7.574 2.274 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.148 -7.387 0.648 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.074 -5.390 2.931 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.634 -5.139 1.290 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.169 -4.353 1.940 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.418 -5.144 0.396 1.00 0.21 H new ATOM 1040 N LYS A 66 79.515 -9.293 3.931 1.00 0.41 N ATOM 1041 CA LYS A 66 79.531 -9.765 5.358 1.00 0.51 C ATOM 1042 C LYS A 66 80.791 -9.274 6.078 1.00 0.44 C ATOM 1043 O LYS A 66 80.771 -8.997 7.264 1.00 0.42 O ATOM 1044 CB LYS A 66 79.528 -11.294 5.280 1.00 0.69 C ATOM 1045 CG LYS A 66 79.414 -11.876 6.690 1.00 0.96 C ATOM 1046 CD LYS A 66 79.474 -13.404 6.619 1.00 1.31 C ATOM 1047 CE LYS A 66 79.208 -13.991 8.008 1.00 1.89 C ATOM 1048 NZ LYS A 66 77.725 -14.079 8.110 1.00 2.62 N ATOM 0 H LYS A 66 79.413 -10.033 3.236 1.00 0.41 H new ATOM 0 HA LYS A 66 78.678 -9.381 5.917 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.695 -11.636 4.665 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.442 -11.646 4.802 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.222 -11.499 7.317 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.478 -11.559 7.151 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.735 -13.775 5.908 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.452 -13.724 6.259 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.670 -14.972 8.117 1.00 1.89 H new ATOM 0 HE3 LYS A 66 79.621 -13.355 8.791 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 77.437 -13.954 9.101 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 77.292 -13.334 7.527 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 77.408 -15.010 7.773 1.00 2.62 H new ATOM 1062 N ALA A 67 81.887 -9.186 5.368 1.00 0.43 N ATOM 1063 CA ALA A 67 83.170 -8.739 6.002 1.00 0.40 C ATOM 1064 C ALA A 67 83.007 -7.341 6.605 1.00 0.30 C ATOM 1065 O ALA A 67 83.514 -7.053 7.678 1.00 0.28 O ATOM 1066 CB ALA A 67 84.199 -8.713 4.868 1.00 0.45 C ATOM 0 H ALA A 67 81.951 -9.404 4.374 1.00 0.43 H new ATOM 0 HA ALA A 67 83.475 -9.403 6.811 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.165 -8.394 5.260 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.293 -9.711 4.439 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.872 -8.016 4.096 1.00 0.45 H new ATOM 1072 N LEU A 68 82.280 -6.483 5.934 1.00 0.27 N ATOM 1073 CA LEU A 68 82.059 -5.105 6.467 1.00 0.23 C ATOM 1074 C LEU A 68 81.016 -5.121 7.585 1.00 0.22 C ATOM 1075 O LEU A 68 81.114 -4.360 8.528 1.00 0.22 O ATOM 1076 CB LEU A 68 81.576 -4.265 5.278 1.00 0.28 C ATOM 1077 CG LEU A 68 82.716 -4.071 4.264 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.215 -3.230 3.089 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.893 -3.344 4.927 1.00 1.82 C ATOM 0 H LEU A 68 81.830 -6.678 5.040 1.00 0.27 H new ATOM 0 HA LEU A 68 82.971 -4.691 6.897 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.731 -4.757 4.796 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.223 -3.295 5.629 1.00 0.28 H new ATOM 0 HG LEU A 68 83.045 -5.049 3.912 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.022 -3.092 2.370 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.382 -3.740 2.606 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.883 -2.258 3.453 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.695 -3.212 4.201 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.563 -2.369 5.285 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.259 -3.934 5.767 1.00 1.82 H new ATOM 1091 N ARG A 69 80.037 -6.002 7.513 1.00 0.25 N ATOM 1092 CA ARG A 69 79.013 -6.075 8.612 1.00 0.28 C ATOM 1093 C ARG A 69 79.704 -6.351 9.950 1.00 0.25 C ATOM 1094 O ARG A 69 79.358 -5.784 10.969 1.00 0.26 O ATOM 1095 CB ARG A 69 78.115 -7.275 8.290 1.00 0.35 C ATOM 1096 CG ARG A 69 77.474 -7.160 6.906 1.00 0.46 C ATOM 1097 CD ARG A 69 76.402 -8.252 6.790 1.00 0.56 C ATOM 1098 NE ARG A 69 76.337 -8.620 5.338 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.896 -9.805 4.942 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.455 -10.708 5.793 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.885 -10.082 3.668 1.00 2.30 N ATOM 0 H ARG A 69 79.905 -6.666 6.750 1.00 0.25 H new ATOM 0 HA ARG A 69 78.455 -5.141 8.680 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.703 -8.191 8.341 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.333 -7.355 9.045 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.030 -6.174 6.772 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.226 -7.279 6.126 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.660 -9.118 7.400 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.437 -7.889 7.144 1.00 0.56 H new ATOM 0 HE ARG A 69 76.639 -7.942 4.638 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.446 -10.505 6.793 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.123 -11.610 5.453 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.213 -9.391 2.993 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.549 -10.990 3.346 1.00 2.30 H new ATOM 1115 N ASP A 70 80.613 -7.295 9.953 1.00 0.25 N ATOM 1116 CA ASP A 70 81.268 -7.714 11.230 1.00 0.25 C ATOM 1117 C ASP A 70 82.197 -6.613 11.739 1.00 0.22 C ATOM 1118 O ASP A 70 82.177 -6.272 12.906 1.00 0.22 O ATOM 1119 CB ASP A 70 82.072 -8.972 10.884 1.00 0.27 C ATOM 1120 CG ASP A 70 81.123 -10.093 10.442 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.991 -10.107 10.904 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.545 -10.921 9.654 1.00 1.68 O ATOM 0 H ASP A 70 80.930 -7.795 9.122 1.00 0.25 H new ATOM 0 HA ASP A 70 80.537 -7.903 12.016 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.784 -8.752 10.089 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.651 -9.294 11.750 1.00 0.27 H new ATOM 1127 N VAL A 71 83.014 -6.062 10.874 1.00 0.21 N ATOM 1128 CA VAL A 71 83.975 -4.997 11.314 1.00 0.21 C ATOM 1129 C VAL A 71 83.201 -3.797 11.878 1.00 0.21 C ATOM 1130 O VAL A 71 83.642 -3.148 12.810 1.00 0.22 O ATOM 1131 CB VAL A 71 84.749 -4.609 10.041 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.694 -3.437 10.325 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.568 -5.810 9.562 1.00 0.28 C ATOM 0 H VAL A 71 83.058 -6.302 9.884 1.00 0.21 H new ATOM 0 HA VAL A 71 84.647 -5.336 12.102 1.00 0.21 H new ATOM 0 HB VAL A 71 84.036 -4.310 9.273 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.233 -3.176 9.415 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.116 -2.577 10.664 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.406 -3.723 11.099 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.118 -5.539 8.661 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.271 -6.105 10.341 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.899 -6.642 9.343 1.00 0.28 H new ATOM 1143 N ILE A 72 82.091 -3.471 11.276 1.00 0.21 N ATOM 1144 CA ILE A 72 81.311 -2.272 11.715 1.00 0.22 C ATOM 1145 C ILE A 72 80.414 -2.612 12.922 1.00 0.22 C ATOM 1146 O ILE A 72 80.016 -1.729 13.660 1.00 0.23 O ATOM 1147 CB ILE A 72 80.469 -1.874 10.491 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.399 -1.560 9.312 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.636 -0.628 10.813 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.568 -1.310 8.053 1.00 0.28 C ATOM 0 H ILE A 72 81.686 -3.985 10.494 1.00 0.21 H new ATOM 0 HA ILE A 72 81.959 -1.459 12.042 1.00 0.22 H new ATOM 0 HB ILE A 72 79.805 -2.699 10.233 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.006 -0.684 9.539 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.086 -2.390 9.147 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.042 -0.352 9.942 1.00 0.27 H new ATOM 0 HG22 ILE A 72 78.973 -0.840 11.651 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.300 0.196 11.075 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.232 -1.087 7.217 1.00 0.28 H new ATOM 0 HD12 ILE A 72 79.980 -2.199 7.823 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.899 -0.466 8.220 1.00 0.28 H new ATOM 1162 N GLY A 73 80.162 -3.882 13.179 1.00 0.21 N ATOM 1163 CA GLY A 73 79.373 -4.259 14.394 1.00 0.21 C ATOM 1164 C GLY A 73 77.885 -3.988 14.148 1.00 0.20 C ATOM 1165 O GLY A 73 77.189 -3.500 15.020 1.00 0.22 O ATOM 0 H GLY A 73 80.469 -4.664 12.601 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.527 -5.313 14.627 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.719 -3.688 15.256 1.00 0.21 H new ATOM 1169 N ILE A 74 77.428 -4.187 12.935 1.00 0.20 N ATOM 1170 CA ILE A 74 76.019 -3.813 12.584 1.00 0.21 C ATOM 1171 C ILE A 74 75.077 -5.010 12.766 1.00 0.21 C ATOM 1172 O ILE A 74 75.427 -6.139 12.474 1.00 0.23 O ATOM 1173 CB ILE A 74 76.065 -3.384 11.110 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.081 -2.242 10.910 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.677 -2.909 10.673 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.719 -1.033 11.785 1.00 0.77 C ATOM 0 H ILE A 74 77.969 -4.592 12.172 1.00 0.20 H new ATOM 0 HA ILE A 74 75.642 -3.018 13.227 1.00 0.21 H new ATOM 0 HB ILE A 74 76.372 -4.239 10.507 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.082 -2.592 11.161 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.100 -1.945 9.861 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.709 -2.604 9.627 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.960 -3.721 10.792 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.372 -2.062 11.288 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.449 -0.239 11.628 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.727 -0.672 11.515 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.724 -1.329 12.834 1.00 0.77 H new ATOM 1188 N LYS A 75 73.876 -4.758 13.230 1.00 0.22 N ATOM 1189 CA LYS A 75 72.884 -5.862 13.421 1.00 0.24 C ATOM 1190 C LYS A 75 71.510 -5.468 12.833 1.00 0.24 C ATOM 1191 O LYS A 75 71.246 -4.300 12.618 1.00 0.23 O ATOM 1192 CB LYS A 75 72.795 -6.066 14.941 1.00 0.29 C ATOM 1193 CG LYS A 75 72.296 -4.783 15.628 1.00 1.19 C ATOM 1194 CD LYS A 75 73.212 -4.425 16.805 1.00 1.71 C ATOM 1195 CE LYS A 75 73.126 -5.520 17.871 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.694 -4.901 19.102 1.00 3.21 N ATOM 0 H LYS A 75 73.539 -3.830 13.486 1.00 0.22 H new ATOM 0 HA LYS A 75 73.186 -6.776 12.909 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.119 -6.892 15.164 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.774 -6.340 15.335 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.274 -3.962 14.911 1.00 1.19 H new ATOM 0 HG3 LYS A 75 71.275 -4.924 15.982 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.240 -4.319 16.460 1.00 1.71 H new ATOM 0 HD3 LYS A 75 72.918 -3.465 17.230 1.00 1.71 H new ATOM 0 HE2 LYS A 75 72.095 -5.839 18.028 1.00 2.52 H new ATOM 0 HE3 LYS A 75 73.691 -6.404 17.576 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 73.670 -5.591 19.880 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.678 -4.614 18.924 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 73.131 -4.066 19.362 1.00 3.21 H new ATOM 1210 N PRO A 76 70.654 -6.455 12.612 1.00 0.25 N ATOM 1211 CA PRO A 76 69.293 -6.171 12.071 1.00 0.26 C ATOM 1212 C PRO A 76 68.562 -5.095 12.893 1.00 0.24 C ATOM 1213 O PRO A 76 68.492 -5.170 14.106 1.00 0.23 O ATOM 1214 CB PRO A 76 68.559 -7.507 12.187 1.00 0.29 C ATOM 1215 CG PRO A 76 69.624 -8.554 12.285 1.00 0.50 C ATOM 1216 CD PRO A 76 70.867 -7.898 12.827 1.00 0.28 C ATOM 0 HA PRO A 76 69.338 -5.788 11.051 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.914 -7.523 13.065 1.00 0.29 H new ATOM 0 HB3 PRO A 76 67.921 -7.679 11.320 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.304 -9.365 12.940 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.819 -8.993 11.307 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.005 -8.124 13.884 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.758 -8.248 12.307 1.00 0.28 H new ATOM 1224 N GLY A 77 67.932 -4.157 12.224 1.00 0.24 N ATOM 1225 CA GLY A 77 67.097 -3.139 12.937 1.00 0.24 C ATOM 1226 C GLY A 77 67.912 -1.871 13.260 1.00 0.22 C ATOM 1227 O GLY A 77 67.379 -0.928 13.816 1.00 0.24 O ATOM 0 H GLY A 77 67.961 -4.053 11.210 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.238 -2.874 12.321 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.707 -3.568 13.860 1.00 0.24 H new ATOM 1231 N GLU A 78 69.185 -1.833 12.924 1.00 0.20 N ATOM 1232 CA GLU A 78 70.011 -0.617 13.222 1.00 0.20 C ATOM 1233 C GLU A 78 70.083 0.297 12.000 1.00 0.18 C ATOM 1234 O GLU A 78 70.265 -0.164 10.888 1.00 0.18 O ATOM 1235 CB GLU A 78 71.395 -1.143 13.599 1.00 0.20 C ATOM 1236 CG GLU A 78 71.478 -1.295 15.122 1.00 0.22 C ATOM 1237 CD GLU A 78 72.912 -1.638 15.546 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.638 -2.191 14.736 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.260 -1.339 16.677 1.00 1.11 O ATOM 0 H GLU A 78 69.684 -2.590 12.458 1.00 0.20 H new ATOM 0 HA GLU A 78 69.580 -0.021 14.027 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.577 -2.103 13.115 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.166 -0.458 13.247 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.160 -0.371 15.604 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.796 -2.078 15.454 1.00 0.22 H new ATOM 1246 N VAL A 79 69.824 1.567 12.192 1.00 0.19 N ATOM 1247 CA VAL A 79 69.726 2.503 11.029 1.00 0.18 C ATOM 1248 C VAL A 79 71.074 3.174 10.739 1.00 0.18 C ATOM 1249 O VAL A 79 71.736 3.686 11.622 1.00 0.19 O ATOM 1250 CB VAL A 79 68.670 3.537 11.445 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.135 4.313 12.691 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.427 4.513 10.286 1.00 0.21 C ATOM 0 H VAL A 79 69.676 1.997 13.105 1.00 0.19 H new ATOM 0 HA VAL A 79 69.452 1.984 10.111 1.00 0.18 H new ATOM 0 HB VAL A 79 67.743 3.017 11.687 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.374 5.041 12.971 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.292 3.617 13.515 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.068 4.831 12.470 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.677 5.248 10.580 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.358 5.023 10.039 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.073 3.962 9.415 1.00 0.21 H new ATOM 1262 N ILE A 80 71.446 3.213 9.487 1.00 0.17 N ATOM 1263 CA ILE A 80 72.709 3.889 9.074 1.00 0.17 C ATOM 1264 C ILE A 80 72.404 4.928 7.987 1.00 0.17 C ATOM 1265 O ILE A 80 71.439 4.800 7.255 1.00 0.17 O ATOM 1266 CB ILE A 80 73.614 2.769 8.533 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.939 2.087 7.338 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.867 1.737 9.635 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.899 1.071 6.713 1.00 0.18 C ATOM 0 H ILE A 80 70.918 2.797 8.720 1.00 0.17 H new ATOM 0 HA ILE A 80 73.190 4.419 9.897 1.00 0.17 H new ATOM 0 HB ILE A 80 74.563 3.199 8.212 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.025 1.588 7.660 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.650 2.832 6.597 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.508 0.944 9.250 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.355 2.220 10.481 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.918 1.311 9.959 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.415 0.588 5.864 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.800 1.582 6.375 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.166 0.318 7.455 1.00 0.18 H new ATOM 1281 N GLU A 81 73.283 5.876 7.807 1.00 0.18 N ATOM 1282 CA GLU A 81 73.134 6.845 6.684 1.00 0.18 C ATOM 1283 C GLU A 81 74.004 6.392 5.516 1.00 0.17 C ATOM 1284 O GLU A 81 75.111 5.925 5.710 1.00 0.19 O ATOM 1285 CB GLU A 81 73.629 8.181 7.239 1.00 0.20 C ATOM 1286 CG GLU A 81 73.458 9.274 6.176 1.00 0.21 C ATOM 1287 CD GLU A 81 74.031 10.615 6.671 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.607 10.648 7.751 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.884 11.591 5.955 1.00 1.04 O ATOM 0 H GLU A 81 74.104 6.022 8.394 1.00 0.18 H new ATOM 0 HA GLU A 81 72.109 6.921 6.322 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.070 8.443 8.138 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.677 8.101 7.528 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.962 8.975 5.257 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.401 9.392 5.936 1.00 0.21 H new ATOM 1296 N VAL A 82 73.443 6.370 4.335 1.00 0.16 N ATOM 1297 CA VAL A 82 74.155 5.763 3.173 1.00 0.17 C ATOM 1298 C VAL A 82 74.442 6.828 2.112 1.00 0.16 C ATOM 1299 O VAL A 82 73.562 7.558 1.693 1.00 0.17 O ATOM 1300 CB VAL A 82 73.190 4.695 2.643 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.792 4.013 1.415 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.950 3.643 3.728 1.00 0.19 C ATOM 0 H VAL A 82 72.519 6.748 4.125 1.00 0.16 H new ATOM 0 HA VAL A 82 75.120 5.336 3.446 1.00 0.17 H new ATOM 0 HB VAL A 82 72.248 5.171 2.370 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.101 3.256 1.044 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.969 4.755 0.637 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.736 3.541 1.687 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.264 2.883 3.353 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.897 3.176 3.998 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.517 4.120 4.608 1.00 0.19 H new ATOM 1312 N LEU A 83 75.667 6.894 1.667 1.00 0.16 N ATOM 1313 CA LEU A 83 76.052 7.880 0.611 1.00 0.17 C ATOM 1314 C LEU A 83 76.475 7.128 -0.651 1.00 0.15 C ATOM 1315 O LEU A 83 77.377 6.314 -0.600 1.00 0.12 O ATOM 1316 CB LEU A 83 77.270 8.643 1.168 1.00 0.21 C ATOM 1317 CG LEU A 83 77.009 9.162 2.588 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.259 9.878 3.098 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.828 10.131 2.568 1.00 0.20 C ATOM 0 H LEU A 83 76.429 6.300 1.993 1.00 0.16 H new ATOM 0 HA LEU A 83 75.227 8.549 0.364 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.140 7.986 1.174 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.507 9.480 0.512 1.00 0.21 H new ATOM 0 HG LEU A 83 76.774 8.327 3.248 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.080 10.249 4.107 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.097 9.181 3.111 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.493 10.715 2.440 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.643 10.500 3.577 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.057 10.970 1.911 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.940 9.615 2.201 1.00 0.20 H new ATOM 1331 N LEU A 84 75.946 7.489 -1.795 1.00 0.16 N ATOM 1332 CA LEU A 84 76.454 6.897 -3.072 1.00 0.15 C ATOM 1333 C LEU A 84 77.743 7.600 -3.495 1.00 0.15 C ATOM 1334 O LEU A 84 77.887 8.797 -3.328 1.00 0.17 O ATOM 1335 CB LEU A 84 75.351 7.121 -4.100 1.00 0.18 C ATOM 1336 CG LEU A 84 74.357 5.958 -4.031 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.949 6.440 -4.427 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.820 4.852 -4.989 1.00 0.28 C ATOM 0 H LEU A 84 75.189 8.164 -1.900 1.00 0.16 H new ATOM 0 HA LEU A 84 76.686 5.837 -2.969 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.840 8.064 -3.904 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.778 7.192 -5.100 1.00 0.18 H new ATOM 0 HG LEU A 84 74.317 5.571 -3.013 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.250 5.605 -4.374 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.628 7.226 -3.743 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.971 6.831 -5.444 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.119 4.018 -4.948 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.859 5.244 -6.005 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.811 4.507 -4.695 1.00 0.28 H new ATOM 1350 N LEU A 85 78.705 6.851 -3.968 1.00 0.14 N ATOM 1351 CA LEU A 85 80.027 7.444 -4.326 1.00 0.17 C ATOM 1352 C LEU A 85 80.189 7.541 -5.844 1.00 0.18 C ATOM 1353 O LEU A 85 80.823 8.453 -6.344 1.00 0.24 O ATOM 1354 CB LEU A 85 81.060 6.491 -3.726 1.00 0.22 C ATOM 1355 CG LEU A 85 81.394 6.935 -2.302 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.042 5.775 -1.544 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.365 8.117 -2.351 1.00 1.60 C ATOM 0 H LEU A 85 78.630 5.846 -4.123 1.00 0.14 H new ATOM 0 HA LEU A 85 80.137 8.459 -3.945 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.671 5.473 -3.719 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.962 6.483 -4.337 1.00 0.22 H new ATOM 0 HG LEU A 85 80.479 7.236 -1.792 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.280 6.092 -0.529 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.351 4.932 -1.509 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.957 5.473 -2.054 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.604 8.434 -1.336 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.280 7.816 -2.861 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.904 8.944 -2.891 1.00 1.60 H new ATOM 1369 N GLY A 86 79.675 6.578 -6.577 1.00 0.16 N ATOM 1370 CA GLY A 86 79.868 6.590 -8.068 1.00 0.20 C ATOM 1371 C GLY A 86 78.968 5.549 -8.742 1.00 0.17 C ATOM 1372 O GLY A 86 78.147 4.924 -8.105 1.00 0.15 O ATOM 0 H GLY A 86 79.136 5.792 -6.214 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.642 7.581 -8.460 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.912 6.384 -8.306 1.00 0.20 H new ATOM 1376 N HIS A 87 79.095 5.397 -10.043 1.00 0.20 N ATOM 1377 CA HIS A 87 78.214 4.442 -10.792 1.00 0.19 C ATOM 1378 C HIS A 87 79.000 3.736 -11.910 1.00 0.19 C ATOM 1379 O HIS A 87 79.912 4.302 -12.486 1.00 0.24 O ATOM 1380 CB HIS A 87 77.094 5.313 -11.388 1.00 0.28 C ATOM 1381 CG HIS A 87 77.674 6.369 -12.300 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.919 6.131 -13.643 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.062 7.665 -12.071 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.431 7.260 -14.167 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.538 8.227 -13.252 1.00 1.89 N ATOM 0 H HIS A 87 79.774 5.896 -10.618 1.00 0.20 H new ATOM 0 HA HIS A 87 77.823 3.658 -10.144 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.396 4.688 -11.944 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.528 5.787 -10.586 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.006 8.172 -11.119 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.720 7.371 -15.202 1.00 1.57 H new ATOM 0 HE2 HIS A 87 78.892 9.174 -13.389 1.00 1.89 H new ATOM 1393 N TYR A 88 78.591 2.541 -12.277 1.00 0.16 N ATOM 1394 CA TYR A 88 79.239 1.835 -13.422 1.00 0.19 C ATOM 1395 C TYR A 88 78.171 1.217 -14.331 1.00 0.21 C ATOM 1396 O TYR A 88 77.182 0.681 -13.862 1.00 0.17 O ATOM 1397 CB TYR A 88 80.101 0.746 -12.782 1.00 0.21 C ATOM 1398 CG TYR A 88 81.223 1.390 -12.004 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.464 1.694 -12.657 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.049 1.700 -10.614 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.532 2.307 -11.919 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.116 2.313 -9.876 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.358 2.617 -10.529 1.00 0.65 C ATOM 1404 OH TYR A 88 84.384 3.207 -9.820 1.00 0.80 O ATOM 0 H TYR A 88 77.833 2.027 -11.828 1.00 0.16 H new ATOM 0 HA TYR A 88 79.832 2.507 -14.042 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.494 0.127 -12.122 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.507 0.089 -13.551 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.595 1.462 -13.704 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.115 1.472 -10.123 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.466 2.535 -12.410 1.00 0.77 H new ATOM 0 HE2 TYR A 88 81.985 2.546 -8.830 1.00 0.70 H new ATOM 0 HH TYR A 88 84.101 3.350 -8.893 1.00 0.80 H new