USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 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+ -130:sc= 0.979 (180deg=-1.1) USER MOD Single : A 8 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -1.9 USER MOD Single : A 12 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.17) USER MOD Single : A 23 THR OG1 : rot -100:sc= -0.591 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 179:sc= -1.05 USER MOD Single : A 31 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= 1.03 (180deg=0.193) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.0924 (180deg=-1.01) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 0.297 (180deg=0.135) USER MOD Single : A 51 THR OG1 : rot 128:sc= -2.68 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 140:sc= 0.00252 USER MOD Single : A 66 LYS NZ :NH3+ -122:sc= -0.0271 (180deg=-0.491) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.79) USER MOD Single : A 88 TYR OH : rot 76:sc= 0.108 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.804 12.971 -3.278 1.00 0.40 N ATOM 33 CA VAL A 3 77.809 11.873 -3.156 1.00 0.33 C ATOM 34 C VAL A 3 76.748 12.012 -4.259 1.00 0.31 C ATOM 35 O VAL A 3 76.259 13.097 -4.521 1.00 0.37 O ATOM 36 CB VAL A 3 77.228 12.030 -1.730 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.164 13.141 -1.651 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.603 10.706 -1.286 1.00 0.30 C ATOM 0 HA VAL A 3 78.233 10.877 -3.286 1.00 0.33 H new ATOM 0 HB VAL A 3 78.050 12.309 -1.071 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.787 13.212 -0.631 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.610 14.093 -1.940 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.341 12.906 -2.326 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.194 10.816 -0.282 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.805 10.431 -1.975 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.365 9.927 -1.284 1.00 0.30 H new ATOM 48 N LEU A 4 76.393 10.928 -4.890 1.00 0.26 N ATOM 49 CA LEU A 4 75.359 10.990 -5.969 1.00 0.28 C ATOM 50 C LEU A 4 73.948 10.934 -5.362 1.00 0.28 C ATOM 51 O LEU A 4 72.991 11.376 -5.970 1.00 0.30 O ATOM 52 CB LEU A 4 75.626 9.768 -6.872 1.00 0.27 C ATOM 53 CG LEU A 4 77.113 9.693 -7.297 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.289 8.576 -8.326 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.577 11.026 -7.912 1.00 0.37 C ATOM 0 H LEU A 4 76.773 9.999 -4.707 1.00 0.26 H new ATOM 0 HA LEU A 4 75.416 11.919 -6.536 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.351 8.856 -6.343 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.995 9.824 -7.759 1.00 0.27 H new ATOM 0 HG LEU A 4 77.716 9.489 -6.412 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.335 8.520 -8.627 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.987 7.625 -7.886 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.670 8.785 -9.199 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.625 10.948 -8.202 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.973 11.251 -8.791 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.462 11.824 -7.179 1.00 0.37 H new ATOM 67 N ALA A 5 73.824 10.468 -4.137 1.00 0.25 N ATOM 68 CA ALA A 5 72.498 10.464 -3.447 1.00 0.25 C ATOM 69 C ALA A 5 72.691 10.073 -1.982 1.00 0.23 C ATOM 70 O ALA A 5 73.658 9.419 -1.636 1.00 0.25 O ATOM 71 CB ALA A 5 71.655 9.416 -4.179 1.00 0.26 C ATOM 0 H ALA A 5 74.594 10.088 -3.586 1.00 0.25 H new ATOM 0 HA ALA A 5 72.016 11.441 -3.467 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.667 9.361 -3.723 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.556 9.697 -5.228 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.142 8.443 -4.108 1.00 0.26 H new ATOM 77 N LYS A 6 71.811 10.510 -1.117 1.00 0.22 N ATOM 78 CA LYS A 6 71.971 10.215 0.340 1.00 0.22 C ATOM 79 C LYS A 6 70.639 9.747 0.931 1.00 0.21 C ATOM 80 O LYS A 6 69.630 10.418 0.802 1.00 0.23 O ATOM 81 CB LYS A 6 72.395 11.548 0.955 1.00 0.24 C ATOM 82 CG LYS A 6 72.722 11.354 2.434 1.00 1.40 C ATOM 83 CD LYS A 6 73.209 12.678 3.024 1.00 1.50 C ATOM 84 CE LYS A 6 74.129 12.398 4.215 1.00 1.79 C ATOM 85 NZ LYS A 6 73.783 13.440 5.221 1.00 2.30 N ATOM 0 H LYS A 6 70.986 11.060 -1.358 1.00 0.22 H new ATOM 0 HA LYS A 6 72.696 9.424 0.532 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.265 11.941 0.429 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.596 12.281 0.843 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.839 11.007 2.971 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.488 10.587 2.551 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.742 13.252 2.266 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.359 13.282 3.342 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.967 11.396 4.612 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.178 12.460 3.927 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.653 13.902 5.555 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.159 14.149 4.786 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.295 12.997 6.026 1.00 2.30 H new ATOM 99 N PHE A 7 70.624 8.595 1.566 1.00 0.19 N ATOM 100 CA PHE A 7 69.347 8.078 2.150 1.00 0.19 C ATOM 101 C PHE A 7 69.623 7.213 3.388 1.00 0.17 C ATOM 102 O PHE A 7 70.742 6.807 3.631 1.00 0.16 O ATOM 103 CB PHE A 7 68.697 7.267 1.019 1.00 0.20 C ATOM 104 CG PHE A 7 69.558 6.078 0.640 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.786 6.276 -0.077 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.139 4.752 0.992 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.595 5.146 -0.439 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.948 3.624 0.629 1.00 0.20 C ATOM 109 CZ PHE A 7 71.176 3.820 -0.085 1.00 0.20 C ATOM 0 H PHE A 7 71.438 7.996 1.703 1.00 0.19 H new ATOM 0 HA PHE A 7 68.692 8.879 2.494 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.712 6.922 1.334 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.548 7.905 0.148 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.101 7.274 -0.344 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.215 4.603 1.530 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.519 5.294 -0.978 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.632 2.626 0.894 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.785 2.970 -0.356 1.00 0.20 H new ATOM 119 N HIS A 8 68.618 6.984 4.198 1.00 0.18 N ATOM 120 CA HIS A 8 68.819 6.208 5.463 1.00 0.18 C ATOM 121 C HIS A 8 68.067 4.874 5.388 1.00 0.17 C ATOM 122 O HIS A 8 66.930 4.816 4.956 1.00 0.18 O ATOM 123 CB HIS A 8 68.227 7.087 6.566 1.00 0.20 C ATOM 124 CG HIS A 8 68.993 8.380 6.649 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.646 9.494 5.901 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.086 8.753 7.392 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.515 10.474 6.208 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.413 10.076 7.111 1.00 1.99 N ATOM 0 H HIS A 8 67.662 7.303 4.037 1.00 0.18 H new ATOM 0 HA HIS A 8 69.869 5.977 5.642 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.176 7.288 6.359 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.270 6.566 7.522 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.612 8.116 8.088 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.489 11.463 5.776 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.175 10.624 7.510 1.00 1.99 H new ATOM 136 N THR A 9 68.681 3.815 5.850 1.00 0.16 N ATOM 137 CA THR A 9 68.004 2.482 5.864 1.00 0.17 C ATOM 138 C THR A 9 68.554 1.634 7.023 1.00 0.16 C ATOM 139 O THR A 9 69.633 1.895 7.516 1.00 0.15 O ATOM 140 CB THR A 9 68.314 1.854 4.488 1.00 0.17 C ATOM 141 OG1 THR A 9 67.544 0.672 4.329 1.00 0.18 O ATOM 142 CG2 THR A 9 69.805 1.514 4.363 1.00 0.17 C ATOM 0 H THR A 9 69.631 3.816 6.222 1.00 0.16 H new ATOM 0 HA THR A 9 66.928 2.553 6.020 1.00 0.17 H new ATOM 0 HB THR A 9 68.060 2.575 3.711 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.737 0.271 3.456 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.997 1.073 3.385 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.396 2.423 4.473 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.083 0.804 5.142 1.00 0.17 H new ATOM 150 N THR A 10 67.854 0.594 7.416 1.00 0.17 N ATOM 151 CA THR A 10 68.387 -0.299 8.493 1.00 0.17 C ATOM 152 C THR A 10 68.779 -1.661 7.901 1.00 0.17 C ATOM 153 O THR A 10 68.345 -2.024 6.823 1.00 0.17 O ATOM 154 CB THR A 10 67.260 -0.409 9.555 1.00 0.17 C ATOM 155 OG1 THR A 10 67.803 -0.913 10.763 1.00 0.17 O ATOM 156 CG2 THR A 10 66.132 -1.345 9.106 1.00 0.17 C ATOM 0 H THR A 10 66.944 0.328 7.040 1.00 0.17 H new ATOM 0 HA THR A 10 69.292 0.096 8.954 1.00 0.17 H new ATOM 0 HB THR A 10 66.844 0.589 9.694 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.732 -1.189 10.614 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.367 -1.390 9.881 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.692 -0.968 8.183 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.534 -2.343 8.934 1.00 0.17 H new ATOM 164 N VAL A 11 69.645 -2.376 8.571 1.00 0.17 N ATOM 165 CA VAL A 11 70.134 -3.678 8.025 1.00 0.17 C ATOM 166 C VAL A 11 69.102 -4.779 8.273 1.00 0.17 C ATOM 167 O VAL A 11 68.612 -4.943 9.371 1.00 0.17 O ATOM 168 CB VAL A 11 71.436 -3.982 8.781 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.042 -5.291 8.257 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.439 -2.836 8.575 1.00 0.49 C ATOM 0 H VAL A 11 70.036 -2.114 9.476 1.00 0.17 H new ATOM 0 HA VAL A 11 70.297 -3.629 6.948 1.00 0.17 H new ATOM 0 HB VAL A 11 71.216 -4.082 9.844 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.966 -5.505 8.795 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.335 -6.106 8.411 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.256 -5.192 7.193 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.360 -3.058 9.114 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.657 -2.730 7.512 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.012 -1.907 8.953 1.00 0.49 H new ATOM 180 N HIS A 12 68.865 -5.596 7.282 1.00 0.21 N ATOM 181 CA HIS A 12 67.979 -6.783 7.465 1.00 0.25 C ATOM 182 C HIS A 12 68.799 -8.061 7.333 1.00 0.25 C ATOM 183 O HIS A 12 69.981 -8.025 7.048 1.00 0.25 O ATOM 184 CB HIS A 12 66.925 -6.710 6.364 1.00 0.26 C ATOM 185 CG HIS A 12 65.784 -5.849 6.829 1.00 0.31 C ATOM 186 ND1 HIS A 12 65.952 -4.509 7.146 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.457 -6.122 7.047 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.756 -4.033 7.535 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.808 -4.975 7.492 1.00 0.56 N ATOM 0 H HIS A 12 69.251 -5.491 6.344 1.00 0.21 H new ATOM 0 HA HIS A 12 67.512 -6.788 8.450 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.360 -6.297 5.454 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.566 -7.710 6.121 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.987 -7.083 6.896 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.582 -3.013 7.845 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.822 -4.874 7.733 1.00 0.56 H new ATOM 197 N ARG A 13 68.199 -9.185 7.628 1.00 0.29 N ATOM 198 CA ARG A 13 68.946 -10.493 7.626 1.00 0.32 C ATOM 199 C ARG A 13 69.814 -10.658 6.361 1.00 0.29 C ATOM 200 O ARG A 13 69.572 -10.042 5.344 1.00 0.24 O ATOM 201 CB ARG A 13 67.847 -11.555 7.646 1.00 0.36 C ATOM 202 CG ARG A 13 67.155 -11.549 9.010 1.00 0.72 C ATOM 203 CD ARG A 13 66.138 -12.692 9.073 1.00 1.16 C ATOM 204 NE ARG A 13 65.380 -12.471 10.346 1.00 1.81 N ATOM 205 CZ ARG A 13 64.724 -13.451 10.945 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.692 -14.671 10.454 1.00 2.96 N ATOM 207 NH2 ARG A 13 64.086 -13.200 12.055 1.00 2.76 N ATOM 0 H ARG A 13 67.212 -9.260 7.874 1.00 0.29 H new ATOM 0 HA ARG A 13 69.631 -10.563 8.471 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.121 -11.357 6.857 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.273 -12.538 7.447 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.893 -11.661 9.804 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.655 -10.594 9.172 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.472 -12.675 8.210 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.635 -13.662 9.074 1.00 1.16 H new ATOM 0 HE ARG A 13 65.369 -11.540 10.762 1.00 1.81 H new ATOM 0 HH11 ARG A 13 65.183 -14.884 9.586 1.00 2.96 H new ATOM 0 HH12 ARG A 13 64.176 -15.404 10.942 1.00 2.96 H new ATOM 0 HH21 ARG A 13 64.098 -12.259 12.448 1.00 2.76 H new ATOM 0 HH22 ARG A 13 63.575 -13.945 12.529 1.00 2.76 H new ATOM 221 N ILE A 14 70.887 -11.411 6.471 1.00 0.34 N ATOM 222 CA ILE A 14 71.878 -11.573 5.341 1.00 0.34 C ATOM 223 C ILE A 14 72.559 -10.243 4.954 1.00 0.28 C ATOM 224 O ILE A 14 73.282 -10.197 3.974 1.00 0.29 O ATOM 225 CB ILE A 14 71.095 -12.129 4.134 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.335 -13.397 4.532 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.075 -12.471 3.011 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.340 -13.755 3.426 1.00 0.36 C ATOM 0 H ILE A 14 71.127 -11.933 7.314 1.00 0.34 H new ATOM 0 HA ILE A 14 72.676 -12.245 5.657 1.00 0.34 H new ATOM 0 HB ILE A 14 70.384 -11.375 3.798 1.00 0.36 H new ATOM 0 HG12 ILE A 14 71.033 -14.219 4.690 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.809 -13.240 5.474 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.525 -12.864 2.156 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.615 -11.572 2.713 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.784 -13.220 3.363 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.796 -14.658 3.704 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.636 -12.934 3.290 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.879 -13.929 2.494 1.00 0.36 H new ATOM 240 N GLY A 15 72.357 -9.175 5.700 1.00 0.24 N ATOM 241 CA GLY A 15 73.021 -7.877 5.351 1.00 0.20 C ATOM 242 C GLY A 15 72.285 -7.196 4.187 1.00 0.17 C ATOM 243 O GLY A 15 72.844 -6.344 3.518 1.00 0.15 O ATOM 0 H GLY A 15 71.764 -9.149 6.530 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.028 -7.219 6.220 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.061 -8.055 5.078 1.00 0.20 H new ATOM 247 N ARG A 16 71.072 -7.611 3.887 1.00 0.18 N ATOM 248 CA ARG A 16 70.343 -7.038 2.712 1.00 0.18 C ATOM 249 C ARG A 16 69.649 -5.730 3.105 1.00 0.19 C ATOM 250 O ARG A 16 69.033 -5.642 4.148 1.00 0.24 O ATOM 251 CB ARG A 16 69.311 -8.106 2.338 1.00 0.26 C ATOM 252 CG ARG A 16 68.579 -7.707 1.056 1.00 0.26 C ATOM 253 CD ARG A 16 67.477 -8.731 0.769 1.00 0.76 C ATOM 254 NE ARG A 16 67.011 -8.430 -0.621 1.00 0.91 N ATOM 255 CZ ARG A 16 65.816 -8.799 -1.052 1.00 1.31 C ATOM 256 NH1 ARG A 16 64.973 -9.459 -0.287 1.00 1.96 N ATOM 257 NH2 ARG A 16 65.466 -8.506 -2.275 1.00 1.41 N ATOM 0 H ARG A 16 70.558 -8.322 4.408 1.00 0.18 H new ATOM 0 HA ARG A 16 71.009 -6.802 1.882 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.806 -9.067 2.199 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.595 -8.231 3.150 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.149 -6.711 1.163 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.279 -7.664 0.221 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.857 -9.750 0.844 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.661 -8.642 1.486 1.00 0.76 H new ATOM 0 HE ARG A 16 67.632 -7.926 -1.254 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.234 -9.701 0.669 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.059 -9.729 -0.650 1.00 1.96 H new ATOM 0 HH21 ARG A 16 66.110 -8.000 -2.883 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.548 -8.783 -2.623 1.00 1.41 H new ATOM 271 N ILE A 17 69.663 -4.755 2.229 1.00 0.18 N ATOM 272 CA ILE A 17 68.895 -3.495 2.485 1.00 0.21 C ATOM 273 C ILE A 17 68.107 -3.104 1.229 1.00 0.19 C ATOM 274 O ILE A 17 68.510 -3.415 0.124 1.00 0.15 O ATOM 275 CB ILE A 17 69.945 -2.427 2.839 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.912 -2.219 1.664 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.736 -2.873 4.070 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.737 -0.946 1.887 1.00 0.30 C ATOM 0 H ILE A 17 70.174 -4.777 1.346 1.00 0.18 H new ATOM 0 HA ILE A 17 68.171 -3.609 3.292 1.00 0.21 H new ATOM 0 HB ILE A 17 69.432 -1.488 3.049 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.574 -3.080 1.569 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.354 -2.142 0.731 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.479 -2.115 4.319 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.056 -3.005 4.911 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.238 -3.817 3.858 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.421 -0.804 1.050 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.069 -0.088 1.959 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.308 -1.040 2.810 1.00 0.30 H new ATOM 290 N ILE A 18 67.038 -2.361 1.387 1.00 0.23 N ATOM 291 CA ILE A 18 66.278 -1.872 0.194 1.00 0.20 C ATOM 292 C ILE A 18 66.293 -0.347 0.155 1.00 0.20 C ATOM 293 O ILE A 18 65.911 0.305 1.112 1.00 0.22 O ATOM 294 CB ILE A 18 64.839 -2.378 0.372 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.818 -3.908 0.560 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.015 -2.002 -0.865 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.478 -4.608 -0.634 1.00 0.24 C ATOM 0 H ILE A 18 66.660 -2.073 2.289 1.00 0.23 H new ATOM 0 HA ILE A 18 66.718 -2.232 -0.736 1.00 0.20 H new ATOM 0 HB ILE A 18 64.411 -1.914 1.261 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.341 -4.174 1.479 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.789 -4.252 0.667 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.992 -2.359 -0.743 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.009 -0.918 -0.983 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.457 -2.461 -1.750 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.453 -5.687 -0.482 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.938 -4.357 -1.547 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.513 -4.278 -0.723 1.00 0.24 H new ATOM 309 N ILE A 19 66.644 0.223 -0.971 1.00 0.17 N ATOM 310 CA ILE A 19 66.583 1.710 -1.108 1.00 0.17 C ATOM 311 C ILE A 19 65.134 2.138 -1.377 1.00 0.19 C ATOM 312 O ILE A 19 64.436 1.467 -2.107 1.00 0.17 O ATOM 313 CB ILE A 19 67.489 2.056 -2.301 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.918 1.548 -1.995 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.488 3.583 -2.500 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.922 2.019 -3.055 1.00 0.23 C ATOM 0 H ILE A 19 66.969 -0.276 -1.799 1.00 0.17 H new ATOM 0 HA ILE A 19 66.913 2.225 -0.206 1.00 0.17 H new ATOM 0 HB ILE A 19 67.128 1.582 -3.214 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.230 1.905 -1.013 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.917 0.459 -1.952 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.128 3.840 -3.344 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.472 3.923 -2.698 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.864 4.068 -1.599 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.915 1.644 -2.808 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.624 1.640 -4.032 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.942 3.109 -3.079 1.00 0.23 H new ATOM 328 N PRO A 20 64.744 3.291 -0.871 1.00 0.24 N ATOM 329 CA PRO A 20 63.394 3.827 -1.194 1.00 0.28 C ATOM 330 C PRO A 20 63.292 4.103 -2.687 1.00 0.26 C ATOM 331 O PRO A 20 64.247 4.526 -3.310 1.00 0.25 O ATOM 332 CB PRO A 20 63.328 5.124 -0.399 1.00 0.34 C ATOM 333 CG PRO A 20 64.761 5.503 -0.233 1.00 0.35 C ATOM 334 CD PRO A 20 65.477 4.209 0.020 1.00 0.29 C ATOM 0 HA PRO A 20 62.583 3.142 -0.948 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.768 5.893 -0.931 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.837 4.981 0.563 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.144 5.998 -1.125 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.892 6.196 0.598 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.535 4.269 -0.233 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.416 3.903 1.065 1.00 0.29 H new ATOM 342 N ALA A 21 62.147 3.853 -3.263 1.00 0.28 N ATOM 343 CA ALA A 21 61.975 4.072 -4.735 1.00 0.29 C ATOM 344 C ALA A 21 62.298 5.526 -5.103 1.00 0.31 C ATOM 345 O ALA A 21 62.679 5.820 -6.223 1.00 0.32 O ATOM 346 CB ALA A 21 60.504 3.764 -5.023 1.00 0.33 C ATOM 0 H ALA A 21 61.319 3.505 -2.779 1.00 0.28 H new ATOM 0 HA ALA A 21 62.644 3.440 -5.319 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.304 3.904 -6.085 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.287 2.732 -4.746 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.871 4.436 -4.443 1.00 0.33 H new ATOM 352 N GLY A 22 62.136 6.435 -4.169 1.00 0.34 N ATOM 353 CA GLY A 22 62.411 7.875 -4.465 1.00 0.38 C ATOM 354 C GLY A 22 63.893 8.069 -4.781 1.00 0.37 C ATOM 355 O GLY A 22 64.251 8.760 -5.721 1.00 0.39 O ATOM 0 H GLY A 22 61.826 6.240 -3.217 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.805 8.204 -5.309 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.129 8.491 -3.611 1.00 0.38 H new ATOM 359 N THR A 23 64.758 7.475 -3.996 1.00 0.34 N ATOM 360 CA THR A 23 66.226 7.636 -4.235 1.00 0.34 C ATOM 361 C THR A 23 66.628 6.903 -5.517 1.00 0.30 C ATOM 362 O THR A 23 67.445 7.385 -6.279 1.00 0.32 O ATOM 363 CB THR A 23 66.919 7.021 -3.008 1.00 0.34 C ATOM 364 OG1 THR A 23 66.518 7.719 -1.833 1.00 0.39 O ATOM 365 CG2 THR A 23 68.442 7.126 -3.157 1.00 0.37 C ATOM 0 H THR A 23 64.511 6.886 -3.201 1.00 0.34 H new ATOM 0 HA THR A 23 66.510 8.681 -4.362 1.00 0.34 H new ATOM 0 HB THR A 23 66.634 5.972 -2.931 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.216 8.358 -1.578 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.924 6.688 -2.283 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.758 6.591 -4.052 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.728 8.174 -3.242 1.00 0.37 H new ATOM 373 N ARG A 24 66.033 5.760 -5.786 1.00 0.26 N ATOM 374 CA ARG A 24 66.358 5.014 -7.057 1.00 0.25 C ATOM 375 C ARG A 24 66.116 5.921 -8.266 1.00 0.28 C ATOM 376 O ARG A 24 66.868 5.913 -9.219 1.00 0.29 O ATOM 377 CB ARG A 24 65.405 3.810 -7.150 1.00 0.25 C ATOM 378 CG ARG A 24 65.340 3.030 -5.834 1.00 0.23 C ATOM 379 CD ARG A 24 64.997 1.572 -6.128 1.00 0.24 C ATOM 380 NE ARG A 24 64.239 1.102 -4.927 1.00 0.27 N ATOM 381 CZ ARG A 24 63.392 0.090 -4.989 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.175 -0.575 -6.104 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.753 -0.261 -3.908 1.00 0.39 N ATOM 0 H ARG A 24 65.340 5.311 -5.187 1.00 0.26 H new ATOM 0 HA ARG A 24 67.400 4.695 -7.048 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.407 4.157 -7.416 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.735 3.147 -7.949 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.295 3.093 -5.313 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.589 3.467 -5.176 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.397 1.483 -7.033 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.898 0.978 -6.283 1.00 0.24 H new ATOM 0 HE ARG A 24 64.380 1.576 -4.035 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.668 -0.314 -6.958 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.513 -1.351 -6.114 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.911 0.243 -3.036 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.095 -1.040 -3.935 1.00 0.39 H new ATOM 397 N LYS A 25 65.030 6.657 -8.244 1.00 0.32 N ATOM 398 CA LYS A 25 64.681 7.525 -9.412 1.00 0.37 C ATOM 399 C LYS A 25 65.719 8.634 -9.571 1.00 0.38 C ATOM 400 O LYS A 25 66.250 8.853 -10.643 1.00 0.40 O ATOM 401 CB LYS A 25 63.298 8.113 -9.077 1.00 0.42 C ATOM 402 CG LYS A 25 62.839 9.069 -10.187 1.00 1.08 C ATOM 403 CD LYS A 25 62.700 8.299 -11.497 1.00 1.68 C ATOM 404 CE LYS A 25 62.156 9.226 -12.586 1.00 2.42 C ATOM 405 NZ LYS A 25 62.210 8.422 -13.838 1.00 2.97 N ATOM 0 H LYS A 25 64.370 6.694 -7.467 1.00 0.32 H new ATOM 0 HA LYS A 25 64.666 6.971 -10.350 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.573 7.308 -8.959 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.342 8.644 -8.126 1.00 0.42 H new ATOM 0 HG2 LYS A 25 61.886 9.525 -9.918 1.00 1.08 H new ATOM 0 HG3 LYS A 25 63.558 9.880 -10.304 1.00 1.08 H new ATOM 0 HD2 LYS A 25 63.668 7.897 -11.798 1.00 1.68 H new ATOM 0 HD3 LYS A 25 62.030 7.450 -11.361 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.137 9.541 -12.363 1.00 2.42 H new ATOM 0 HE3 LYS A 25 62.758 10.131 -12.671 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 61.852 8.991 -14.632 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 63.193 8.142 -14.028 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 61.622 7.571 -13.730 1.00 2.97 H new ATOM 419 N PHE A 26 66.007 9.325 -8.506 1.00 0.38 N ATOM 420 CA PHE A 26 67.004 10.448 -8.562 1.00 0.42 C ATOM 421 C PHE A 26 68.353 9.950 -9.095 1.00 0.42 C ATOM 422 O PHE A 26 69.061 10.664 -9.782 1.00 0.46 O ATOM 423 CB PHE A 26 67.143 10.930 -7.113 1.00 0.43 C ATOM 424 CG PHE A 26 68.074 12.119 -7.054 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.607 13.418 -7.440 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.428 11.943 -6.612 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.494 14.545 -7.383 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.315 13.070 -6.556 1.00 0.64 C ATOM 429 CZ PHE A 26 69.848 14.371 -6.941 1.00 0.67 C ATOM 0 H PHE A 26 65.595 9.165 -7.587 1.00 0.38 H new ATOM 0 HA PHE A 26 66.681 11.246 -9.230 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.165 11.203 -6.716 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.528 10.124 -6.488 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.588 13.549 -7.774 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.779 10.964 -6.322 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.142 15.524 -7.673 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.334 12.939 -6.224 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.515 15.219 -6.898 1.00 0.67 H new ATOM 439 N TYR A 27 68.733 8.757 -8.724 1.00 0.39 N ATOM 440 CA TYR A 27 70.070 8.220 -9.136 1.00 0.42 C ATOM 441 C TYR A 27 69.990 7.502 -10.497 1.00 0.35 C ATOM 442 O TYR A 27 71.004 7.263 -11.130 1.00 0.37 O ATOM 443 CB TYR A 27 70.429 7.234 -8.021 1.00 0.46 C ATOM 444 CG TYR A 27 71.832 6.700 -8.198 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.110 5.702 -9.195 1.00 0.95 C ATOM 446 CD2 TYR A 27 72.881 7.160 -7.337 1.00 0.85 C ATOM 447 CE1 TYR A 27 73.433 5.167 -9.326 1.00 1.16 C ATOM 448 CE2 TYR A 27 74.207 6.631 -7.475 1.00 1.10 C ATOM 449 CZ TYR A 27 74.481 5.633 -8.467 1.00 1.18 C ATOM 450 OH TYR A 27 75.750 5.113 -8.585 1.00 1.44 O ATOM 0 H TYR A 27 68.174 8.125 -8.150 1.00 0.39 H new ATOM 0 HA TYR A 27 70.813 9.007 -9.262 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.344 7.728 -7.053 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.719 6.407 -8.020 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.321 5.355 -9.846 1.00 0.95 H new ATOM 0 HD2 TYR A 27 72.673 7.905 -6.584 1.00 0.85 H new ATOM 0 HE1 TYR A 27 73.640 4.413 -10.071 1.00 1.16 H new ATOM 0 HE2 TYR A 27 74.999 6.985 -6.832 1.00 1.10 H new ATOM 0 HH TYR A 27 76.344 5.550 -7.939 1.00 1.44 H new ATOM 460 N GLY A 28 68.801 7.193 -10.976 1.00 0.31 N ATOM 461 CA GLY A 28 68.676 6.526 -12.308 1.00 0.29 C ATOM 462 C GLY A 28 69.060 5.046 -12.179 1.00 0.26 C ATOM 463 O GLY A 28 69.799 4.521 -12.992 1.00 0.27 O ATOM 0 H GLY A 28 67.918 7.376 -10.499 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.654 6.616 -12.677 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.322 7.018 -13.035 1.00 0.29 H new ATOM 467 N ILE A 29 68.610 4.388 -11.134 1.00 0.24 N ATOM 468 CA ILE A 29 68.998 2.957 -10.914 1.00 0.23 C ATOM 469 C ILE A 29 68.029 2.017 -11.638 1.00 0.20 C ATOM 470 O ILE A 29 66.844 1.993 -11.355 1.00 0.22 O ATOM 471 CB ILE A 29 68.929 2.737 -9.392 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.909 3.690 -8.702 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.302 1.287 -9.056 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.810 3.557 -7.178 1.00 0.42 C ATOM 0 H ILE A 29 67.991 4.781 -10.425 1.00 0.24 H new ATOM 0 HA ILE A 29 69.993 2.746 -11.306 1.00 0.23 H new ATOM 0 HB ILE A 29 67.915 2.933 -9.043 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.926 3.471 -9.026 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.695 4.717 -8.997 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.251 1.139 -7.977 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.606 0.609 -9.549 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.315 1.082 -9.403 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.514 4.242 -6.706 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.797 3.800 -6.857 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.048 2.534 -6.886 1.00 0.42 H new ATOM 486 N GLU A 30 68.565 1.135 -12.440 1.00 0.17 N ATOM 487 CA GLU A 30 67.737 0.052 -13.047 1.00 0.18 C ATOM 488 C GLU A 30 68.403 -1.299 -12.778 1.00 0.17 C ATOM 489 O GLU A 30 69.593 -1.366 -12.529 1.00 0.18 O ATOM 490 CB GLU A 30 67.711 0.356 -14.546 1.00 0.22 C ATOM 491 CG GLU A 30 66.744 -0.606 -15.248 1.00 1.06 C ATOM 492 CD GLU A 30 66.764 -0.386 -16.773 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.552 0.424 -17.242 1.00 1.37 O ATOM 494 OE2 GLU A 30 65.985 -1.040 -17.447 1.00 1.82 O ATOM 0 H GLU A 30 69.550 1.119 -12.703 1.00 0.17 H new ATOM 0 HA GLU A 30 66.729 0.009 -12.635 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.400 1.387 -14.713 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.712 0.253 -14.966 1.00 0.22 H new ATOM 0 HG2 GLU A 30 67.020 -1.636 -15.021 1.00 1.06 H new ATOM 0 HG3 GLU A 30 65.734 -0.455 -14.868 1.00 1.06 H new ATOM 501 N GLN A 31 67.646 -2.370 -12.781 1.00 0.20 N ATOM 502 CA GLN A 31 68.237 -3.717 -12.469 1.00 0.20 C ATOM 503 C GLN A 31 69.415 -4.025 -13.404 1.00 0.19 C ATOM 504 O GLN A 31 69.349 -3.794 -14.597 1.00 0.20 O ATOM 505 CB GLN A 31 67.102 -4.720 -12.694 1.00 0.25 C ATOM 506 CG GLN A 31 66.035 -4.534 -11.611 1.00 1.08 C ATOM 507 CD GLN A 31 64.835 -5.451 -11.886 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.808 -6.177 -12.863 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.826 -5.443 -11.058 1.00 1.99 N ATOM 0 H GLN A 31 66.647 -2.373 -12.985 1.00 0.20 H new ATOM 0 HA GLN A 31 68.625 -3.759 -11.451 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.663 -4.574 -13.681 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.491 -5.738 -12.666 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.457 -4.759 -10.632 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.709 -3.494 -11.586 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.844 -4.837 -10.238 1.00 1.99 H new ATOM 0 HE22 GLN A 31 63.020 -6.043 -11.231 1.00 1.99 H new ATOM 518 N GLY A 32 70.478 -4.567 -12.863 1.00 0.18 N ATOM 519 CA GLY A 32 71.660 -4.923 -13.700 1.00 0.19 C ATOM 520 C GLY A 32 72.699 -3.790 -13.693 1.00 0.17 C ATOM 521 O GLY A 32 73.847 -4.012 -14.037 1.00 0.18 O ATOM 0 H GLY A 32 70.576 -4.779 -11.870 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.114 -5.840 -13.324 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.340 -5.122 -14.723 1.00 0.19 H new ATOM 525 N ASP A 33 72.336 -2.598 -13.257 1.00 0.15 N ATOM 526 CA ASP A 33 73.344 -1.490 -13.178 1.00 0.14 C ATOM 527 C ASP A 33 74.253 -1.701 -11.970 1.00 0.13 C ATOM 528 O ASP A 33 73.853 -2.315 -10.998 1.00 0.14 O ATOM 529 CB ASP A 33 72.529 -0.205 -13.012 1.00 0.13 C ATOM 530 CG ASP A 33 71.727 0.084 -14.285 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.121 -0.381 -15.344 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.730 0.776 -14.176 1.00 1.07 O ATOM 0 H ASP A 33 71.393 -2.350 -12.956 1.00 0.15 H new ATOM 0 HA ASP A 33 73.980 -1.451 -14.063 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.853 -0.302 -12.162 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.195 0.631 -12.796 1.00 0.13 H new ATOM 537 N PHE A 34 75.433 -1.125 -11.983 1.00 0.12 N ATOM 538 CA PHE A 34 76.320 -1.213 -10.789 1.00 0.11 C ATOM 539 C PHE A 34 76.448 0.161 -10.145 1.00 0.10 C ATOM 540 O PHE A 34 76.681 1.142 -10.820 1.00 0.11 O ATOM 541 CB PHE A 34 77.671 -1.682 -11.324 1.00 0.12 C ATOM 542 CG PHE A 34 77.574 -3.127 -11.748 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.190 -3.456 -13.091 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.866 -4.171 -10.807 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.098 -4.831 -13.493 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.774 -5.545 -11.211 1.00 0.20 C ATOM 547 CZ PHE A 34 77.390 -5.875 -12.554 1.00 0.21 C ATOM 0 H PHE A 34 75.815 -0.600 -12.769 1.00 0.12 H new ATOM 0 HA PHE A 34 75.932 -1.893 -10.031 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.973 -1.064 -12.170 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.437 -1.568 -10.557 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.970 -2.670 -13.798 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.155 -3.923 -9.796 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.809 -5.080 -14.503 1.00 0.20 H new ATOM 0 HE2 PHE A 34 77.994 -6.331 -10.504 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.321 -6.909 -12.857 1.00 0.21 H new ATOM 557 N VAL A 35 76.404 0.216 -8.840 1.00 0.09 N ATOM 558 CA VAL A 35 76.644 1.509 -8.138 1.00 0.09 C ATOM 559 C VAL A 35 77.684 1.301 -7.037 1.00 0.10 C ATOM 560 O VAL A 35 77.819 0.216 -6.505 1.00 0.10 O ATOM 561 CB VAL A 35 75.280 1.929 -7.569 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.282 2.112 -8.719 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.749 0.857 -6.614 1.00 0.15 C ATOM 0 H VAL A 35 76.212 -0.579 -8.231 1.00 0.09 H new ATOM 0 HA VAL A 35 77.035 2.285 -8.796 1.00 0.09 H new ATOM 0 HB VAL A 35 75.400 2.866 -7.025 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.314 2.410 -8.317 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.646 2.884 -9.397 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.176 1.173 -9.262 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.782 1.168 -6.219 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.635 -0.085 -7.151 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.451 0.723 -5.791 1.00 0.15 H new ATOM 573 N GLU A 36 78.422 2.328 -6.702 1.00 0.12 N ATOM 574 CA GLU A 36 79.465 2.200 -5.645 1.00 0.13 C ATOM 575 C GLU A 36 79.050 3.055 -4.466 1.00 0.13 C ATOM 576 O GLU A 36 78.627 4.179 -4.652 1.00 0.13 O ATOM 577 CB GLU A 36 80.751 2.737 -6.274 1.00 0.14 C ATOM 578 CG GLU A 36 81.913 2.552 -5.297 1.00 0.15 C ATOM 579 CD GLU A 36 83.161 3.245 -5.847 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.013 4.294 -6.452 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.243 2.717 -5.652 1.00 1.03 O ATOM 0 H GLU A 36 78.345 3.255 -7.119 1.00 0.12 H new ATOM 0 HA GLU A 36 79.601 1.176 -5.296 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.959 2.212 -7.206 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.634 3.792 -6.521 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.653 2.968 -4.324 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.110 1.490 -5.147 1.00 0.15 H new ATOM 588 N ILE A 37 78.941 2.459 -3.309 1.00 0.12 N ATOM 589 CA ILE A 37 78.277 3.164 -2.179 1.00 0.11 C ATOM 590 C ILE A 37 79.019 2.906 -0.862 1.00 0.11 C ATOM 591 O ILE A 37 79.709 1.916 -0.713 1.00 0.12 O ATOM 592 CB ILE A 37 76.861 2.578 -2.157 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.034 3.253 -1.062 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.913 1.067 -1.899 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.537 3.102 -1.372 1.00 0.14 C ATOM 0 H ILE A 37 79.281 1.520 -3.100 1.00 0.12 H new ATOM 0 HA ILE A 37 78.271 4.247 -2.299 1.00 0.11 H new ATOM 0 HB ILE A 37 76.396 2.758 -3.126 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.261 2.806 -0.094 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.296 4.309 -0.995 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.900 0.665 -1.886 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.486 0.582 -2.690 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.390 0.878 -0.937 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.953 3.585 -0.589 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.315 3.570 -2.331 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.280 2.044 -1.417 1.00 0.14 H new ATOM 607 N LYS A 38 78.848 3.779 0.099 1.00 0.12 N ATOM 608 CA LYS A 38 79.502 3.586 1.426 1.00 0.13 C ATOM 609 C LYS A 38 78.497 3.818 2.557 1.00 0.13 C ATOM 610 O LYS A 38 77.627 4.659 2.457 1.00 0.14 O ATOM 611 CB LYS A 38 80.613 4.631 1.486 1.00 0.13 C ATOM 612 CG LYS A 38 81.531 4.305 2.661 1.00 0.18 C ATOM 613 CD LYS A 38 82.675 5.321 2.719 1.00 0.25 C ATOM 614 CE LYS A 38 83.665 4.918 3.816 1.00 1.03 C ATOM 615 NZ LYS A 38 84.039 6.196 4.486 1.00 1.11 N ATOM 0 H LYS A 38 78.279 4.622 0.019 1.00 0.12 H new ATOM 0 HA LYS A 38 79.887 2.573 1.543 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.179 4.634 0.554 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.188 5.628 1.604 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.966 4.325 3.593 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.932 3.297 2.553 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.183 5.367 1.756 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.280 6.317 2.919 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.211 4.221 4.521 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.540 4.422 3.396 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.347 6.000 5.460 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.815 6.649 3.962 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.216 6.832 4.504 1.00 1.11 H new ATOM 629 N ILE A 39 78.632 3.091 3.638 1.00 0.14 N ATOM 630 CA ILE A 39 77.705 3.278 4.801 1.00 0.14 C ATOM 631 C ILE A 39 78.469 3.802 6.017 1.00 0.13 C ATOM 632 O ILE A 39 79.628 3.487 6.214 1.00 0.13 O ATOM 633 CB ILE A 39 77.128 1.889 5.112 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.267 0.889 5.358 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.264 1.415 3.945 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.711 -0.371 6.023 1.00 0.20 C ATOM 0 H ILE A 39 79.346 2.374 3.767 1.00 0.14 H new ATOM 0 HA ILE A 39 76.923 4.001 4.567 1.00 0.14 H new ATOM 0 HB ILE A 39 76.513 1.953 6.010 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.748 0.632 4.414 1.00 0.16 H new ATOM 0 HG13 ILE A 39 79.030 1.340 5.992 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.857 0.429 4.170 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.446 2.118 3.789 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.872 1.359 3.042 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.522 -1.079 6.196 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.250 -0.107 6.975 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.964 -0.827 5.372 1.00 0.20 H new ATOM 648 N VAL A 40 77.796 4.540 6.864 1.00 0.13 N ATOM 649 CA VAL A 40 78.437 5.028 8.122 1.00 0.12 C ATOM 650 C VAL A 40 77.448 4.904 9.287 1.00 0.16 C ATOM 651 O VAL A 40 76.361 5.451 9.248 1.00 0.20 O ATOM 652 CB VAL A 40 78.778 6.500 7.861 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.472 7.095 9.091 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.716 6.612 6.655 1.00 0.16 C ATOM 0 H VAL A 40 76.825 4.826 6.737 1.00 0.13 H new ATOM 0 HA VAL A 40 79.324 4.452 8.385 1.00 0.12 H new ATOM 0 HB VAL A 40 77.856 7.045 7.658 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.713 8.141 8.902 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.808 7.025 9.953 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.389 6.542 9.294 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.954 7.660 6.475 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.635 6.061 6.856 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.228 6.195 5.774 1.00 0.16 H new ATOM 664 N LYS A 41 77.862 4.267 10.351 1.00 0.17 N ATOM 665 CA LYS A 41 77.006 4.186 11.572 1.00 0.22 C ATOM 666 C LYS A 41 77.844 4.510 12.805 1.00 0.21 C ATOM 667 O LYS A 41 79.016 4.191 12.862 1.00 0.22 O ATOM 668 CB LYS A 41 76.515 2.743 11.638 1.00 0.28 C ATOM 669 CG LYS A 41 75.526 2.601 12.796 1.00 0.54 C ATOM 670 CD LYS A 41 75.167 1.126 12.986 1.00 1.11 C ATOM 671 CE LYS A 41 74.064 0.995 14.041 1.00 1.50 C ATOM 672 NZ LYS A 41 74.655 1.546 15.294 1.00 1.98 N ATOM 0 H LYS A 41 78.763 3.796 10.427 1.00 0.17 H new ATOM 0 HA LYS A 41 76.175 4.891 11.537 1.00 0.22 H new ATOM 0 HB2 LYS A 41 76.036 2.466 10.699 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.357 2.066 11.778 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.963 3.000 13.711 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.626 3.181 12.592 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.832 0.699 12.041 1.00 1.11 H new ATOM 0 HD3 LYS A 41 76.048 0.564 13.296 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.172 1.549 13.749 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.765 -0.045 14.171 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 74.163 1.142 16.117 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.664 1.300 15.339 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.550 2.581 15.301 1.00 1.98 H new ATOM 686 N TYR A 42 77.261 5.165 13.772 1.00 0.20 N ATOM 687 CA TYR A 42 78.031 5.545 14.996 1.00 0.20 C ATOM 688 C TYR A 42 77.629 4.655 16.176 1.00 0.27 C ATOM 689 O TYR A 42 76.462 4.541 16.502 1.00 0.33 O ATOM 690 CB TYR A 42 77.652 7.000 15.264 1.00 0.22 C ATOM 691 CG TYR A 42 78.570 7.568 16.317 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.889 7.999 15.954 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.128 7.677 17.677 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.767 8.539 16.951 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.007 8.217 18.675 1.00 0.25 C ATOM 696 CZ TYR A 42 80.326 8.648 18.313 1.00 0.28 C ATOM 697 OH TYR A 42 81.171 9.167 19.272 1.00 0.33 O ATOM 0 H TYR A 42 76.283 5.455 13.769 1.00 0.20 H new ATOM 0 HA TYR A 42 79.106 5.422 14.863 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.728 7.583 14.346 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.616 7.063 15.596 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.221 7.917 14.930 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.135 7.353 17.950 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.760 8.864 16.677 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.675 8.299 19.699 1.00 0.25 H new ATOM 0 HH TYR A 42 80.717 9.171 20.140 1.00 0.33 H new ATOM 759 N PRO A 47 82.828 6.079 15.483 1.00 0.25 N ATOM 760 CA PRO A 47 82.086 5.831 14.223 1.00 0.21 C ATOM 761 C PRO A 47 82.737 4.674 13.451 1.00 0.27 C ATOM 762 O PRO A 47 83.946 4.627 13.309 1.00 0.34 O ATOM 763 CB PRO A 47 82.205 7.144 13.437 1.00 0.24 C ATOM 764 CG PRO A 47 82.976 8.095 14.307 1.00 0.33 C ATOM 765 CD PRO A 47 83.652 7.290 15.381 1.00 0.31 C ATOM 0 HA PRO A 47 81.046 5.552 14.394 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.718 6.983 12.489 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.219 7.546 13.202 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.713 8.640 13.717 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.309 8.836 14.748 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.682 7.052 15.114 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.685 7.832 16.326 1.00 0.31 H new ATOM 773 N LYS A 48 81.942 3.841 12.819 1.00 0.26 N ATOM 774 CA LYS A 48 82.507 2.806 11.898 1.00 0.35 C ATOM 775 C LYS A 48 81.947 2.993 10.490 1.00 0.28 C ATOM 776 O LYS A 48 80.854 3.498 10.312 1.00 0.24 O ATOM 777 CB LYS A 48 82.079 1.456 12.466 1.00 0.45 C ATOM 778 CG LYS A 48 82.755 1.236 13.817 1.00 0.60 C ATOM 779 CD LYS A 48 83.031 -0.255 14.006 1.00 0.47 C ATOM 780 CE LYS A 48 83.672 -0.488 15.376 1.00 0.48 C ATOM 781 NZ LYS A 48 83.344 -1.900 15.719 1.00 1.10 N ATOM 0 H LYS A 48 80.925 3.835 12.903 1.00 0.26 H new ATOM 0 HA LYS A 48 83.592 2.881 11.829 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.995 1.424 12.580 1.00 0.45 H new ATOM 0 HB3 LYS A 48 82.351 0.657 11.777 1.00 0.45 H new ATOM 0 HG2 LYS A 48 83.687 1.799 13.866 1.00 0.60 H new ATOM 0 HG3 LYS A 48 82.117 1.604 14.620 1.00 0.60 H new ATOM 0 HD2 LYS A 48 82.102 -0.820 13.927 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.692 -0.616 13.218 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.750 -0.331 15.339 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.274 0.202 16.120 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 84.014 -2.248 16.434 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.377 -1.950 16.098 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 83.412 -2.489 14.865 1.00 1.10 H new ATOM 795 N GLU A 49 82.714 2.638 9.492 1.00 0.26 N ATOM 796 CA GLU A 49 82.267 2.845 8.081 1.00 0.20 C ATOM 797 C GLU A 49 82.596 1.622 7.224 1.00 0.19 C ATOM 798 O GLU A 49 83.374 0.770 7.613 1.00 0.21 O ATOM 799 CB GLU A 49 83.048 4.065 7.593 1.00 0.25 C ATOM 800 CG GLU A 49 82.682 5.287 8.446 1.00 0.80 C ATOM 801 CD GLU A 49 83.399 6.541 7.923 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.378 6.400 7.204 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.954 7.627 8.254 1.00 1.42 O ATOM 0 H GLU A 49 83.635 2.212 9.594 1.00 0.26 H new ATOM 0 HA GLU A 49 81.189 2.992 8.013 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.119 3.873 7.656 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.820 4.259 6.545 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.603 5.442 8.426 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.959 5.109 9.485 1.00 0.80 H new ATOM 810 N GLY A 50 82.043 1.564 6.038 1.00 0.16 N ATOM 811 CA GLY A 50 82.352 0.439 5.109 1.00 0.16 C ATOM 812 C GLY A 50 82.035 0.864 3.677 1.00 0.15 C ATOM 813 O GLY A 50 80.996 1.437 3.414 1.00 0.17 O ATOM 0 H GLY A 50 81.386 2.254 5.673 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.402 0.161 5.194 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.767 -0.440 5.377 1.00 0.16 H new ATOM 817 N THR A 51 82.909 0.562 2.747 1.00 0.14 N ATOM 818 CA THR A 51 82.648 0.919 1.319 1.00 0.14 C ATOM 819 C THR A 51 82.697 -0.339 0.451 1.00 0.13 C ATOM 820 O THR A 51 83.602 -1.146 0.580 1.00 0.15 O ATOM 821 CB THR A 51 83.781 1.869 0.922 1.00 0.16 C ATOM 822 OG1 THR A 51 84.024 2.790 1.975 1.00 0.18 O ATOM 823 CG2 THR A 51 83.388 2.631 -0.345 1.00 0.21 C ATOM 0 H THR A 51 83.793 0.083 2.917 1.00 0.14 H new ATOM 0 HA THR A 51 81.667 1.376 1.186 1.00 0.14 H new ATOM 0 HB THR A 51 84.686 1.292 0.733 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.978 2.785 2.200 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.195 3.307 -0.628 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.208 1.923 -1.154 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.481 3.206 -0.157 1.00 0.21 H new ATOM 831 N PHE A 52 81.784 -0.471 -0.482 1.00 0.12 N ATOM 832 CA PHE A 52 81.840 -1.636 -1.421 1.00 0.13 C ATOM 833 C PHE A 52 81.109 -1.317 -2.740 1.00 0.11 C ATOM 834 O PHE A 52 80.381 -0.345 -2.836 1.00 0.10 O ATOM 835 CB PHE A 52 81.190 -2.810 -0.647 1.00 0.14 C ATOM 836 CG PHE A 52 79.678 -2.679 -0.586 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.065 -1.698 0.262 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.863 -3.538 -1.396 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.634 -1.578 0.300 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.436 -3.418 -1.359 1.00 0.14 C ATOM 841 CZ PHE A 52 76.820 -2.440 -0.513 1.00 0.15 C ATOM 0 H PHE A 52 81.008 0.173 -0.633 1.00 0.12 H new ATOM 0 HA PHE A 52 82.859 -1.885 -1.718 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.454 -3.752 -1.128 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.593 -2.845 0.365 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.678 -1.051 0.871 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.326 -4.276 -2.034 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.170 -0.841 0.939 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.824 -4.065 -1.970 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.744 -2.350 -0.486 1.00 0.15 H new ATOM 851 N THR A 53 81.212 -2.198 -3.705 1.00 0.12 N ATOM 852 CA THR A 53 80.432 -2.035 -4.968 1.00 0.11 C ATOM 853 C THR A 53 79.303 -3.065 -5.010 1.00 0.11 C ATOM 854 O THR A 53 79.461 -4.184 -4.553 1.00 0.12 O ATOM 855 CB THR A 53 81.434 -2.292 -6.095 1.00 0.11 C ATOM 856 OG1 THR A 53 82.538 -1.408 -5.955 1.00 0.13 O ATOM 857 CG2 THR A 53 80.757 -2.058 -7.447 1.00 0.11 C ATOM 0 H THR A 53 81.806 -3.026 -3.670 1.00 0.12 H new ATOM 0 HA THR A 53 79.977 -1.048 -5.053 1.00 0.11 H new ATOM 0 HB THR A 53 81.785 -3.323 -6.042 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.182 -1.572 -6.675 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.472 -2.242 -8.249 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.911 -2.737 -7.553 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.405 -1.028 -7.504 1.00 0.11 H new ATOM 865 N ALA A 54 78.145 -2.673 -5.483 1.00 0.11 N ATOM 866 CA ALA A 54 76.972 -3.600 -5.472 1.00 0.13 C ATOM 867 C ALA A 54 76.148 -3.436 -6.747 1.00 0.13 C ATOM 868 O ALA A 54 75.947 -2.335 -7.225 1.00 0.11 O ATOM 869 CB ALA A 54 76.153 -3.185 -4.244 1.00 0.14 C ATOM 0 H ALA A 54 77.962 -1.750 -5.876 1.00 0.11 H new ATOM 0 HA ALA A 54 77.275 -4.646 -5.429 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.271 -3.820 -4.164 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.762 -3.295 -3.347 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.844 -2.145 -4.348 1.00 0.14 H new ATOM 875 N ARG A 55 75.595 -4.515 -7.246 1.00 0.15 N ATOM 876 CA ARG A 55 74.690 -4.423 -8.428 1.00 0.15 C ATOM 877 C ARG A 55 73.239 -4.313 -7.958 1.00 0.15 C ATOM 878 O ARG A 55 72.866 -4.866 -6.939 1.00 0.16 O ATOM 879 CB ARG A 55 74.905 -5.717 -9.211 1.00 0.19 C ATOM 880 CG ARG A 55 74.358 -5.545 -10.631 1.00 0.27 C ATOM 881 CD ARG A 55 74.560 -6.840 -11.422 1.00 0.45 C ATOM 882 NE ARG A 55 73.483 -7.762 -10.942 1.00 0.90 N ATOM 883 CZ ARG A 55 73.592 -9.076 -11.044 1.00 1.48 C ATOM 884 NH1 ARG A 55 74.642 -9.648 -11.593 1.00 1.67 N ATOM 885 NH2 ARG A 55 72.624 -9.827 -10.595 1.00 2.21 N ATOM 0 H ARG A 55 75.734 -5.458 -6.882 1.00 0.15 H new ATOM 0 HA ARG A 55 74.901 -3.548 -9.042 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.966 -5.963 -9.245 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.401 -6.545 -8.713 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.299 -5.291 -10.595 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.867 -4.720 -11.130 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.479 -6.664 -12.495 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.549 -7.262 -11.242 1.00 0.45 H new ATOM 0 HE ARG A 55 72.641 -7.366 -10.524 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.404 -9.075 -11.956 1.00 1.67 H new ATOM 0 HH12 ARG A 55 74.694 -10.665 -11.656 1.00 1.67 H new ATOM 0 HH21 ARG A 55 71.800 -9.399 -10.173 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.691 -10.842 -10.666 1.00 2.21 H new ATOM 899 N VAL A 56 72.433 -3.579 -8.678 1.00 0.14 N ATOM 900 CA VAL A 56 71.006 -3.393 -8.269 1.00 0.14 C ATOM 901 C VAL A 56 70.192 -4.633 -8.639 1.00 0.15 C ATOM 902 O VAL A 56 70.174 -5.059 -9.778 1.00 0.17 O ATOM 903 CB VAL A 56 70.532 -2.159 -9.047 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.036 -1.898 -8.788 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.349 -0.947 -8.593 1.00 0.17 C ATOM 0 H VAL A 56 72.701 -3.097 -9.536 1.00 0.14 H new ATOM 0 HA VAL A 56 70.888 -3.255 -7.194 1.00 0.14 H new ATOM 0 HB VAL A 56 70.673 -2.331 -10.114 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.718 -1.019 -9.348 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.455 -2.763 -9.109 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.875 -1.728 -7.723 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.022 -0.062 -9.139 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.202 -0.789 -7.525 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.406 -1.125 -8.792 1.00 0.17 H new ATOM 915 N GLY A 57 69.499 -5.185 -7.680 1.00 0.16 N ATOM 916 CA GLY A 57 68.647 -6.378 -7.946 1.00 0.19 C ATOM 917 C GLY A 57 67.176 -5.970 -8.005 1.00 0.18 C ATOM 918 O GLY A 57 66.837 -4.801 -8.100 1.00 0.16 O ATOM 0 H GLY A 57 69.487 -4.857 -6.714 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.942 -6.842 -8.887 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.795 -7.122 -7.163 1.00 0.19 H new ATOM 922 N GLU A 58 66.301 -6.938 -7.957 1.00 0.21 N ATOM 923 CA GLU A 58 64.837 -6.643 -8.027 1.00 0.22 C ATOM 924 C GLU A 58 64.417 -5.774 -6.838 1.00 0.22 C ATOM 925 O GLU A 58 65.030 -5.797 -5.789 1.00 0.24 O ATOM 926 CB GLU A 58 64.145 -8.009 -7.967 1.00 0.27 C ATOM 927 CG GLU A 58 62.639 -7.837 -8.202 1.00 0.81 C ATOM 928 CD GLU A 58 61.908 -9.186 -8.075 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.545 -10.174 -7.732 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.715 -9.208 -8.325 1.00 1.28 O ATOM 0 H GLU A 58 66.537 -7.927 -7.872 1.00 0.21 H new ATOM 0 HA GLU A 58 64.571 -6.096 -8.932 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.567 -8.674 -8.720 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.321 -8.474 -6.997 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.232 -7.129 -7.480 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.467 -7.417 -9.193 1.00 0.81 H new ATOM 937 N GLN A 59 63.377 -4.994 -7.008 1.00 0.25 N ATOM 938 CA GLN A 59 62.889 -4.095 -5.911 1.00 0.30 C ATOM 939 C GLN A 59 64.007 -3.194 -5.364 1.00 0.23 C ATOM 940 O GLN A 59 63.839 -2.582 -4.323 1.00 0.23 O ATOM 941 CB GLN A 59 62.370 -5.032 -4.813 1.00 0.37 C ATOM 942 CG GLN A 59 61.023 -5.620 -5.240 1.00 0.46 C ATOM 943 CD GLN A 59 60.543 -6.616 -4.184 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.002 -6.230 -3.167 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.719 -7.894 -4.385 1.00 0.81 N ATOM 0 H GLN A 59 62.837 -4.940 -7.872 1.00 0.25 H new ATOM 0 HA GLN A 59 62.116 -3.420 -6.279 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.088 -5.832 -4.633 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.260 -4.486 -3.876 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.289 -4.823 -5.364 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.121 -6.116 -6.206 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.173 -8.218 -5.239 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.402 -8.568 -3.688 1.00 0.81 H new ATOM 954 N GLY A 60 65.068 -2.976 -6.118 1.00 0.19 N ATOM 955 CA GLY A 60 66.086 -1.959 -5.696 1.00 0.16 C ATOM 956 C GLY A 60 66.920 -2.480 -4.521 1.00 0.12 C ATOM 957 O GLY A 60 67.470 -1.699 -3.759 1.00 0.12 O ATOM 0 H GLY A 60 65.268 -3.454 -6.996 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.740 -1.722 -6.535 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.586 -1.034 -5.411 1.00 0.16 H new ATOM 961 N SER A 61 66.959 -3.777 -4.319 1.00 0.14 N ATOM 962 CA SER A 61 67.699 -4.333 -3.144 1.00 0.16 C ATOM 963 C SER A 61 69.205 -4.366 -3.427 1.00 0.15 C ATOM 964 O SER A 61 69.629 -4.629 -4.537 1.00 0.18 O ATOM 965 CB SER A 61 67.157 -5.750 -2.957 1.00 0.21 C ATOM 966 OG SER A 61 67.702 -6.599 -3.958 1.00 1.30 O ATOM 0 H SER A 61 66.511 -4.472 -4.917 1.00 0.14 H new ATOM 0 HA SER A 61 67.559 -3.725 -2.250 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.417 -6.123 -1.967 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.069 -5.746 -3.020 1.00 0.21 H new ATOM 0 HG SER A 61 67.924 -7.468 -3.564 1.00 1.30 H new ATOM 972 N VAL A 62 70.003 -4.201 -2.404 1.00 0.14 N ATOM 973 CA VAL A 62 71.484 -4.334 -2.556 1.00 0.15 C ATOM 974 C VAL A 62 72.064 -5.072 -1.341 1.00 0.14 C ATOM 975 O VAL A 62 71.519 -5.000 -0.254 1.00 0.14 O ATOM 976 CB VAL A 62 72.007 -2.894 -2.644 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.650 -2.120 -1.372 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.527 -2.914 -2.813 1.00 0.21 C ATOM 0 H VAL A 62 69.689 -3.977 -1.460 1.00 0.14 H new ATOM 0 HA VAL A 62 71.771 -4.910 -3.436 1.00 0.15 H new ATOM 0 HB VAL A 62 71.545 -2.403 -3.500 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.027 -1.100 -1.449 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.567 -2.098 -1.251 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.101 -2.610 -0.509 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.900 -1.892 -2.876 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.982 -3.414 -1.958 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.785 -3.451 -3.726 1.00 0.21 H new ATOM 988 N ILE A 63 73.110 -5.841 -1.535 1.00 0.16 N ATOM 989 CA ILE A 63 73.667 -6.658 -0.407 1.00 0.17 C ATOM 990 C ILE A 63 75.010 -6.084 0.061 1.00 0.16 C ATOM 991 O ILE A 63 75.978 -6.074 -0.677 1.00 0.19 O ATOM 992 CB ILE A 63 73.865 -8.069 -0.986 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.538 -8.614 -1.551 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.375 -9.008 0.113 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.465 -8.664 -0.454 1.00 0.34 C ATOM 0 H ILE A 63 73.602 -5.939 -2.423 1.00 0.16 H new ATOM 0 HA ILE A 63 73.003 -6.660 0.457 1.00 0.17 H new ATOM 0 HB ILE A 63 74.595 -8.015 -1.794 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.198 -7.981 -2.371 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.693 -9.612 -1.961 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.515 -10.008 -0.299 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.326 -8.637 0.496 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.648 -9.048 0.924 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.536 -9.051 -0.872 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.800 -9.316 0.353 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.297 -7.660 -0.063 1.00 0.34 H new ATOM 1007 N ILE A 64 75.102 -5.727 1.322 1.00 0.15 N ATOM 1008 CA ILE A 64 76.417 -5.294 1.895 1.00 0.16 C ATOM 1009 C ILE A 64 77.281 -6.532 2.200 1.00 0.18 C ATOM 1010 O ILE A 64 76.759 -7.544 2.612 1.00 0.20 O ATOM 1011 CB ILE A 64 76.066 -4.543 3.187 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.176 -3.340 2.857 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.348 -4.048 3.861 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.554 -2.797 4.144 1.00 0.32 C ATOM 0 H ILE A 64 74.322 -5.717 1.979 1.00 0.15 H new ATOM 0 HA ILE A 64 76.985 -4.665 1.210 1.00 0.16 H new ATOM 0 HB ILE A 64 75.537 -5.218 3.859 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.764 -2.563 2.368 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.393 -3.634 2.158 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.095 -3.515 4.778 1.00 0.34 H new ATOM 0 HG22 ILE A 64 77.985 -4.899 4.100 1.00 0.34 H new ATOM 0 HG23 ILE A 64 77.878 -3.376 3.186 1.00 0.34 H new ATOM 0 HD11 ILE A 64 73.921 -1.941 3.909 1.00 0.32 H new ATOM 0 HD12 ILE A 64 73.953 -3.575 4.614 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.344 -2.487 4.827 1.00 0.32 H new ATOM 1026 N PRO A 65 78.578 -6.431 1.984 1.00 0.19 N ATOM 1027 CA PRO A 65 79.478 -7.598 2.236 1.00 0.23 C ATOM 1028 C PRO A 65 79.500 -7.956 3.726 1.00 0.26 C ATOM 1029 O PRO A 65 79.673 -7.105 4.579 1.00 0.23 O ATOM 1030 CB PRO A 65 80.840 -7.088 1.768 1.00 0.26 C ATOM 1031 CG PRO A 65 80.737 -5.612 1.940 1.00 0.24 C ATOM 1032 CD PRO A 65 79.344 -5.265 1.508 1.00 0.21 C ATOM 0 HA PRO A 65 79.164 -8.507 1.723 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.651 -7.506 2.364 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.035 -7.358 0.730 1.00 0.26 H new ATOM 0 HG2 PRO A 65 80.912 -5.323 2.976 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.479 -5.092 1.334 1.00 0.24 H new ATOM 0 HD2 PRO A 65 78.996 -4.336 1.959 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.270 -5.142 0.428 1.00 0.21 H new ATOM 1040 N LYS A 66 79.329 -9.217 4.043 1.00 0.41 N ATOM 1041 CA LYS A 66 79.334 -9.661 5.479 1.00 0.51 C ATOM 1042 C LYS A 66 80.622 -9.221 6.181 1.00 0.44 C ATOM 1043 O LYS A 66 80.627 -8.929 7.362 1.00 0.42 O ATOM 1044 CB LYS A 66 79.248 -11.188 5.434 1.00 0.69 C ATOM 1045 CG LYS A 66 79.113 -11.732 6.857 1.00 0.96 C ATOM 1046 CD LYS A 66 79.082 -13.261 6.820 1.00 1.31 C ATOM 1047 CE LYS A 66 78.798 -13.801 8.224 1.00 1.89 C ATOM 1048 NZ LYS A 66 77.343 -13.562 8.441 1.00 2.62 N ATOM 0 H LYS A 66 79.185 -9.966 3.365 1.00 0.41 H new ATOM 0 HA LYS A 66 78.507 -9.221 6.036 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.394 -11.497 4.832 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.138 -11.599 4.959 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.948 -11.390 7.469 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.202 -11.351 7.318 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.315 -13.603 6.125 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.035 -13.646 6.457 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.039 -14.862 8.295 1.00 1.89 H new ATOM 0 HE3 LYS A 66 79.399 -13.287 8.974 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 77.211 -12.971 9.286 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 76.944 -13.076 7.613 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 76.858 -14.472 8.575 1.00 2.62 H new ATOM 1062 N ALA A 67 81.717 -9.199 5.461 1.00 0.43 N ATOM 1063 CA ALA A 67 83.027 -8.811 6.081 1.00 0.40 C ATOM 1064 C ALA A 67 82.938 -7.400 6.670 1.00 0.30 C ATOM 1065 O ALA A 67 83.460 -7.128 7.740 1.00 0.28 O ATOM 1066 CB ALA A 67 84.044 -8.846 4.937 1.00 0.45 C ATOM 0 H ALA A 67 81.762 -9.433 4.469 1.00 0.43 H new ATOM 0 HA ALA A 67 83.307 -9.481 6.894 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.028 -8.572 5.317 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.084 -9.851 4.516 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.745 -8.140 4.162 1.00 0.45 H new ATOM 1072 N LEU A 68 82.239 -6.519 6.000 1.00 0.27 N ATOM 1073 CA LEU A 68 82.071 -5.132 6.530 1.00 0.23 C ATOM 1074 C LEU A 68 81.034 -5.110 7.652 1.00 0.22 C ATOM 1075 O LEU A 68 81.159 -4.350 8.594 1.00 0.22 O ATOM 1076 CB LEU A 68 81.611 -4.279 5.339 1.00 0.28 C ATOM 1077 CG LEU A 68 82.743 -4.151 4.307 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.267 -3.290 3.134 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.969 -3.482 4.947 1.00 1.82 C ATOM 0 H LEU A 68 81.777 -6.700 5.109 1.00 0.27 H new ATOM 0 HA LEU A 68 82.999 -4.748 6.954 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.736 -4.733 4.874 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.312 -3.290 5.685 1.00 0.28 H new ATOM 0 HG LEU A 68 83.014 -5.147 3.957 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.069 -3.198 2.401 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.400 -3.758 2.667 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.993 -2.300 3.497 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.765 -3.397 4.207 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.697 -2.489 5.304 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.317 -4.086 5.785 1.00 1.82 H new ATOM 1091 N ARG A 69 80.026 -5.959 7.587 1.00 0.25 N ATOM 1092 CA ARG A 69 79.003 -5.997 8.690 1.00 0.28 C ATOM 1093 C ARG A 69 79.692 -6.280 10.028 1.00 0.25 C ATOM 1094 O ARG A 69 79.358 -5.703 11.045 1.00 0.26 O ATOM 1095 CB ARG A 69 78.073 -7.179 8.387 1.00 0.35 C ATOM 1096 CG ARG A 69 77.447 -7.089 6.994 1.00 0.46 C ATOM 1097 CD ARG A 69 76.355 -8.164 6.895 1.00 0.56 C ATOM 1098 NE ARG A 69 76.298 -8.569 5.454 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.864 -9.766 5.086 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.411 -10.644 5.956 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.869 -10.080 3.820 1.00 2.30 N ATOM 0 H ARG A 69 79.869 -6.620 6.826 1.00 0.25 H new ATOM 0 HA ARG A 69 78.469 -5.049 8.748 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.634 -8.110 8.470 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.282 -7.216 9.136 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.023 -6.098 6.830 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.204 -7.243 6.225 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.590 -9.018 7.530 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.393 -7.774 7.228 1.00 0.56 H new ATOM 0 HE ARG A 69 76.600 -7.908 4.739 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.386 -10.412 6.949 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.085 -11.556 5.637 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.204 -9.408 3.129 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.538 -10.997 3.521 1.00 2.30 H new ATOM 1115 N ASP A 70 80.580 -7.243 10.034 1.00 0.25 N ATOM 1116 CA ASP A 70 81.224 -7.672 11.314 1.00 0.25 C ATOM 1117 C ASP A 70 82.169 -6.587 11.823 1.00 0.22 C ATOM 1118 O ASP A 70 82.151 -6.241 12.990 1.00 0.22 O ATOM 1119 CB ASP A 70 82.006 -8.945 10.972 1.00 0.27 C ATOM 1120 CG ASP A 70 81.039 -10.048 10.527 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.907 -10.043 10.984 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.449 -10.880 9.733 1.00 1.56 O ATOM 0 H ASP A 70 80.888 -7.752 9.205 1.00 0.25 H new ATOM 0 HA ASP A 70 80.488 -7.848 12.099 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.725 -8.738 10.179 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.575 -9.277 11.840 1.00 0.27 H new ATOM 1127 N VAL A 71 83.000 -6.055 10.960 1.00 0.21 N ATOM 1128 CA VAL A 71 83.978 -5.006 11.401 1.00 0.21 C ATOM 1129 C VAL A 71 83.224 -3.789 11.957 1.00 0.21 C ATOM 1130 O VAL A 71 83.675 -3.143 12.884 1.00 0.22 O ATOM 1131 CB VAL A 71 84.765 -4.638 10.131 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.737 -3.489 10.419 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.556 -5.860 9.657 1.00 0.28 C ATOM 0 H VAL A 71 83.045 -6.300 9.971 1.00 0.21 H new ATOM 0 HA VAL A 71 84.639 -5.354 12.194 1.00 0.21 H new ATOM 0 HB VAL A 71 84.063 -4.323 9.359 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.286 -3.241 9.511 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.178 -2.616 10.756 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.439 -3.792 11.196 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.116 -5.605 8.757 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.249 -6.171 10.439 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.868 -6.676 9.437 1.00 0.28 H new ATOM 1143 N ILE A 72 82.127 -3.441 11.344 1.00 0.21 N ATOM 1144 CA ILE A 72 81.374 -2.219 11.768 1.00 0.22 C ATOM 1145 C ILE A 72 80.448 -2.523 12.961 1.00 0.22 C ATOM 1146 O ILE A 72 80.025 -1.614 13.655 1.00 0.23 O ATOM 1147 CB ILE A 72 80.563 -1.801 10.533 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.518 -1.503 9.371 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.752 -0.540 10.848 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.709 -1.258 8.099 1.00 0.28 C ATOM 0 H ILE A 72 81.715 -3.951 10.563 1.00 0.21 H new ATOM 0 HA ILE A 72 82.043 -1.426 12.103 1.00 0.22 H new ATOM 0 HB ILE A 72 79.887 -2.611 10.259 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.127 -0.629 9.602 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.202 -2.339 9.225 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.178 -0.247 9.969 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.071 -0.742 11.675 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.429 0.268 11.125 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.387 -1.046 7.272 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.119 -2.145 7.867 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.043 -0.408 8.249 1.00 0.28 H new ATOM 1162 N GLY A 73 80.177 -3.781 13.247 1.00 0.21 N ATOM 1163 CA GLY A 73 79.337 -4.116 14.442 1.00 0.21 C ATOM 1164 C GLY A 73 77.860 -3.848 14.134 1.00 0.20 C ATOM 1165 O GLY A 73 77.132 -3.345 14.970 1.00 0.22 O ATOM 0 H GLY A 73 80.501 -4.583 12.706 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.477 -5.162 14.714 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.653 -3.520 15.298 1.00 0.21 H new ATOM 1169 N ILE A 74 77.443 -4.085 12.914 1.00 0.20 N ATOM 1170 CA ILE A 74 76.040 -3.739 12.509 1.00 0.21 C ATOM 1171 C ILE A 74 75.094 -4.919 12.767 1.00 0.21 C ATOM 1172 O ILE A 74 75.457 -6.068 12.595 1.00 0.23 O ATOM 1173 CB ILE A 74 76.118 -3.424 11.007 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.120 -2.282 10.753 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.734 -3.014 10.493 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.699 -1.011 11.508 1.00 0.77 C ATOM 0 H ILE A 74 78.013 -4.504 12.179 1.00 0.20 H new ATOM 0 HA ILE A 74 75.649 -2.897 13.080 1.00 0.21 H new ATOM 0 HB ILE A 74 76.455 -4.316 10.478 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.116 -2.588 11.073 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.178 -2.074 9.685 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.793 -2.791 9.428 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.029 -3.830 10.655 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.394 -2.129 11.030 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.420 -0.217 11.315 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.713 -0.696 11.168 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.665 -1.218 12.578 1.00 0.77 H new ATOM 1188 N LYS A 75 73.899 -4.633 13.223 1.00 0.22 N ATOM 1189 CA LYS A 75 72.925 -5.718 13.555 1.00 0.24 C ATOM 1190 C LYS A 75 71.555 -5.437 12.907 1.00 0.24 C ATOM 1191 O LYS A 75 71.242 -4.302 12.602 1.00 0.23 O ATOM 1192 CB LYS A 75 72.812 -5.686 15.080 1.00 0.29 C ATOM 1193 CG LYS A 75 73.899 -6.576 15.699 1.00 1.19 C ATOM 1194 CD LYS A 75 74.483 -5.891 16.937 1.00 1.71 C ATOM 1195 CE LYS A 75 75.701 -6.677 17.427 1.00 2.52 C ATOM 1196 NZ LYS A 75 76.137 -5.974 18.667 1.00 3.21 N ATOM 0 H LYS A 75 73.554 -3.686 13.381 1.00 0.22 H new ATOM 0 HA LYS A 75 73.251 -6.690 13.184 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.918 -4.663 15.441 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.826 -6.033 15.388 1.00 0.29 H new ATOM 0 HG2 LYS A 75 73.479 -7.544 15.971 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.687 -6.765 14.970 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.770 -4.867 16.698 1.00 1.71 H new ATOM 0 HD3 LYS A 75 73.731 -5.836 17.724 1.00 1.71 H new ATOM 0 HE2 LYS A 75 75.444 -7.716 17.632 1.00 2.52 H new ATOM 0 HE3 LYS A 75 76.493 -6.686 16.678 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 76.970 -6.454 19.064 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 76.381 -4.989 18.440 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 75.365 -5.988 19.364 1.00 3.21 H new ATOM 1210 N PRO A 76 70.745 -6.475 12.753 1.00 0.25 N ATOM 1211 CA PRO A 76 69.382 -6.290 12.179 1.00 0.26 C ATOM 1212 C PRO A 76 68.583 -5.232 12.960 1.00 0.24 C ATOM 1213 O PRO A 76 68.485 -5.288 14.172 1.00 0.23 O ATOM 1214 CB PRO A 76 68.723 -7.661 12.323 1.00 0.29 C ATOM 1215 CG PRO A 76 69.842 -8.638 12.504 1.00 0.50 C ATOM 1216 CD PRO A 76 71.014 -7.887 13.079 1.00 0.28 C ATOM 0 HA PRO A 76 69.420 -5.941 11.147 1.00 0.26 H new ATOM 0 HB2 PRO A 76 68.046 -7.681 13.177 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.131 -7.904 11.441 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.541 -9.446 13.171 1.00 0.50 H new ATOM 0 HG3 PRO A 76 70.110 -9.094 11.551 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.092 -8.038 14.156 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.954 -8.223 12.641 1.00 0.28 H new ATOM 1224 N GLY A 77 67.943 -4.328 12.258 1.00 0.24 N ATOM 1225 CA GLY A 77 67.060 -3.323 12.929 1.00 0.24 C ATOM 1226 C GLY A 77 67.837 -2.035 13.266 1.00 0.22 C ATOM 1227 O GLY A 77 67.272 -1.106 13.815 1.00 0.24 O ATOM 0 H GLY A 77 67.995 -4.243 11.243 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.218 -3.084 12.279 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.646 -3.751 13.842 1.00 0.24 H new ATOM 1231 N GLU A 78 69.112 -1.960 12.941 1.00 0.20 N ATOM 1232 CA GLU A 78 69.900 -0.722 13.244 1.00 0.20 C ATOM 1233 C GLU A 78 69.992 0.170 12.012 1.00 0.18 C ATOM 1234 O GLU A 78 70.187 -0.308 10.911 1.00 0.18 O ATOM 1235 CB GLU A 78 71.283 -1.208 13.668 1.00 0.20 C ATOM 1236 CG GLU A 78 71.303 -1.398 15.188 1.00 0.22 C ATOM 1237 CD GLU A 78 72.721 -1.744 15.660 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.481 -2.277 14.866 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.023 -1.469 16.809 1.00 1.11 O ATOM 0 H GLU A 78 69.637 -2.703 12.480 1.00 0.20 H new ATOM 0 HA GLU A 78 69.430 -0.125 14.026 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.521 -2.147 13.168 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.043 -0.486 13.369 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.960 -0.488 15.680 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.613 -2.193 15.472 1.00 0.22 H new ATOM 1246 N VAL A 79 69.762 1.448 12.183 1.00 0.19 N ATOM 1247 CA VAL A 79 69.712 2.370 11.009 1.00 0.18 C ATOM 1248 C VAL A 79 71.088 2.993 10.735 1.00 0.18 C ATOM 1249 O VAL A 79 71.721 3.548 11.612 1.00 0.19 O ATOM 1250 CB VAL A 79 68.685 3.446 11.394 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.152 4.215 12.644 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.505 4.417 10.221 1.00 0.21 C ATOM 0 H VAL A 79 69.606 1.893 13.088 1.00 0.19 H new ATOM 0 HA VAL A 79 69.433 1.848 10.093 1.00 0.18 H new ATOM 0 HB VAL A 79 67.734 2.965 11.621 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.413 4.973 12.902 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.266 3.521 13.477 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.108 4.696 12.439 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.777 5.182 10.490 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.460 4.890 9.990 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.150 3.870 9.347 1.00 0.21 H new ATOM 1262 N ILE A 80 71.494 2.977 9.494 1.00 0.17 N ATOM 1263 CA ILE A 80 72.765 3.643 9.089 1.00 0.17 C ATOM 1264 C ILE A 80 72.469 4.686 8.004 1.00 0.17 C ATOM 1265 O ILE A 80 71.488 4.584 7.288 1.00 0.17 O ATOM 1266 CB ILE A 80 73.663 2.517 8.547 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.987 1.843 7.349 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.909 1.482 9.647 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.942 0.826 6.721 1.00 0.18 C ATOM 0 H ILE A 80 70.990 2.523 8.732 1.00 0.17 H new ATOM 0 HA ILE A 80 73.249 4.165 9.914 1.00 0.17 H new ATOM 0 HB ILE A 80 74.615 2.941 8.229 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.071 1.346 7.668 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.702 2.593 6.611 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.545 0.685 9.261 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.400 1.961 10.494 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.957 1.061 9.970 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.457 0.349 5.869 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.846 1.334 6.386 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.204 0.069 7.460 1.00 0.18 H new ATOM 1281 N GLU A 81 73.353 5.629 7.829 1.00 0.18 N ATOM 1282 CA GLU A 81 73.195 6.628 6.734 1.00 0.18 C ATOM 1283 C GLU A 81 74.063 6.210 5.551 1.00 0.17 C ATOM 1284 O GLU A 81 75.166 5.728 5.731 1.00 0.19 O ATOM 1285 CB GLU A 81 73.683 7.947 7.331 1.00 0.20 C ATOM 1286 CG GLU A 81 73.432 9.086 6.341 1.00 0.21 C ATOM 1287 CD GLU A 81 73.985 10.390 6.916 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.058 10.352 7.496 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.326 11.406 6.768 1.00 1.14 O ATOM 0 H GLU A 81 74.187 5.751 8.404 1.00 0.18 H new ATOM 0 HA GLU A 81 72.170 6.711 6.373 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.164 8.147 8.269 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.746 7.881 7.562 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.910 8.865 5.387 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.364 9.185 6.147 1.00 0.21 H new ATOM 1296 N VAL A 82 73.496 6.211 4.374 1.00 0.16 N ATOM 1297 CA VAL A 82 74.193 5.614 3.198 1.00 0.17 C ATOM 1298 C VAL A 82 74.489 6.691 2.151 1.00 0.16 C ATOM 1299 O VAL A 82 73.615 7.436 1.745 1.00 0.17 O ATOM 1300 CB VAL A 82 73.213 4.567 2.657 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.799 3.894 1.415 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.963 3.502 3.727 1.00 0.19 C ATOM 0 H VAL A 82 72.575 6.602 4.176 1.00 0.16 H new ATOM 0 HA VAL A 82 75.154 5.171 3.460 1.00 0.17 H new ATOM 0 HB VAL A 82 72.277 5.060 2.395 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.096 3.152 1.038 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.981 4.645 0.646 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.738 3.405 1.675 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.266 2.757 3.343 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.905 3.018 3.986 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.540 3.971 4.615 1.00 0.19 H new ATOM 1312 N LEU A 83 75.712 6.747 1.700 1.00 0.16 N ATOM 1313 CA LEU A 83 76.102 7.743 0.655 1.00 0.17 C ATOM 1314 C LEU A 83 76.519 7.001 -0.616 1.00 0.15 C ATOM 1315 O LEU A 83 77.418 6.184 -0.575 1.00 0.12 O ATOM 1316 CB LEU A 83 77.330 8.490 1.215 1.00 0.21 C ATOM 1317 CG LEU A 83 77.088 8.984 2.648 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.342 9.694 3.154 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.904 9.949 2.664 1.00 0.20 C ATOM 0 H LEU A 83 76.469 6.139 2.013 1.00 0.16 H new ATOM 0 HA LEU A 83 75.281 8.421 0.420 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.197 7.829 1.199 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.564 9.338 0.572 1.00 0.21 H new ATOM 0 HG LEU A 83 76.865 8.136 3.296 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.175 10.047 4.172 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.182 9.000 3.144 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.565 10.543 2.508 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.733 10.299 3.682 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.120 10.801 2.019 1.00 0.20 H new ATOM 0 HD23 LEU A 83 75.012 9.437 2.302 1.00 0.20 H new ATOM 1331 N LEU A 84 75.999 7.388 -1.757 1.00 0.16 N ATOM 1332 CA LEU A 84 76.516 6.818 -3.041 1.00 0.15 C ATOM 1333 C LEU A 84 77.808 7.531 -3.441 1.00 0.15 C ATOM 1334 O LEU A 84 77.955 8.719 -3.230 1.00 0.17 O ATOM 1335 CB LEU A 84 75.420 7.062 -4.071 1.00 0.18 C ATOM 1336 CG LEU A 84 74.424 5.900 -4.027 1.00 0.21 C ATOM 1337 CD1 LEU A 84 73.020 6.388 -4.423 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.894 4.810 -4.998 1.00 0.28 C ATOM 0 H LEU A 84 75.245 8.068 -1.854 1.00 0.16 H new ATOM 0 HA LEU A 84 76.748 5.756 -2.957 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.910 8.002 -3.862 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.853 7.149 -5.068 1.00 0.18 H new ATOM 0 HG LEU A 84 74.375 5.498 -3.015 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.321 5.552 -4.388 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.695 7.163 -3.729 1.00 0.20 H new ATOM 0 HD13 LEU A 84 73.048 6.795 -5.434 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.193 3.976 -4.976 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.941 5.218 -6.008 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.883 4.460 -4.701 1.00 0.28 H new ATOM 1350 N LEU A 85 78.766 6.796 -3.946 1.00 0.14 N ATOM 1351 CA LEU A 85 80.088 7.402 -4.285 1.00 0.17 C ATOM 1352 C LEU A 85 80.282 7.476 -5.802 1.00 0.18 C ATOM 1353 O LEU A 85 80.975 8.348 -6.297 1.00 0.24 O ATOM 1354 CB LEU A 85 81.122 6.476 -3.646 1.00 0.22 C ATOM 1355 CG LEU A 85 81.418 6.952 -2.223 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.075 5.820 -1.432 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.364 8.155 -2.275 1.00 1.60 C ATOM 0 H LEU A 85 78.688 5.797 -4.139 1.00 0.14 H new ATOM 0 HA LEU A 85 80.175 8.425 -3.918 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.748 5.452 -3.629 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.037 6.471 -4.238 1.00 0.22 H new ATOM 0 HG LEU A 85 80.487 7.242 -1.736 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.286 6.159 -0.418 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.402 4.963 -1.395 1.00 1.13 H new ATOM 0 HD13 LEU A 85 83.006 5.529 -1.918 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.576 8.495 -1.261 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.295 7.865 -2.762 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.896 8.962 -2.838 1.00 1.60 H new ATOM 1369 N GLY A 86 79.717 6.544 -6.539 1.00 0.16 N ATOM 1370 CA GLY A 86 79.922 6.545 -8.028 1.00 0.20 C ATOM 1371 C GLY A 86 78.957 5.575 -8.715 1.00 0.17 C ATOM 1372 O GLY A 86 78.167 4.916 -8.075 1.00 0.15 O ATOM 0 H GLY A 86 79.130 5.791 -6.180 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.771 7.551 -8.419 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.950 6.265 -8.257 1.00 0.20 H new ATOM 1376 N HIS A 87 79.026 5.491 -10.025 1.00 0.20 N ATOM 1377 CA HIS A 87 78.119 4.574 -10.788 1.00 0.19 C ATOM 1378 C HIS A 87 78.890 3.905 -11.936 1.00 0.19 C ATOM 1379 O HIS A 87 79.764 4.511 -12.531 1.00 0.24 O ATOM 1380 CB HIS A 87 77.002 5.478 -11.340 1.00 0.28 C ATOM 1381 CG HIS A 87 77.582 6.562 -12.217 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.814 6.374 -13.570 1.00 1.31 N ATOM 1383 CD2 HIS A 87 77.979 7.848 -11.944 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.328 7.518 -14.057 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.450 8.450 -13.108 1.00 1.89 N ATOM 0 H HIS A 87 79.678 6.023 -10.601 1.00 0.20 H new ATOM 0 HA HIS A 87 77.720 3.775 -10.164 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.292 4.880 -11.912 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.449 5.927 -10.515 1.00 0.28 H new ATOM 0 HD2 HIS A 87 77.933 8.321 -10.974 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.608 7.665 -15.090 1.00 1.57 H new ATOM 0 HE2 HIS A 87 78.810 9.398 -13.213 1.00 1.89 H new ATOM 1393 N TYR A 88 78.569 2.669 -12.257 1.00 0.16 N ATOM 1394 CA TYR A 88 79.285 1.973 -13.371 1.00 0.19 C ATOM 1395 C TYR A 88 78.271 1.327 -14.321 1.00 0.21 C ATOM 1396 O TYR A 88 77.299 0.731 -13.891 1.00 0.17 O ATOM 1397 CB TYR A 88 80.158 0.893 -12.707 1.00 0.21 C ATOM 1398 CG TYR A 88 81.051 1.494 -11.633 1.00 0.32 C ATOM 1399 CD1 TYR A 88 81.743 2.734 -11.866 1.00 0.59 C ATOM 1400 CD2 TYR A 88 81.200 0.820 -10.375 1.00 0.66 C ATOM 1401 CE1 TYR A 88 82.579 3.294 -10.842 1.00 0.70 C ATOM 1402 CE2 TYR A 88 82.036 1.380 -9.354 1.00 0.77 C ATOM 1403 CZ TYR A 88 82.725 2.617 -9.587 1.00 0.65 C ATOM 1404 OH TYR A 88 83.529 3.154 -8.604 1.00 0.80 O ATOM 0 H TYR A 88 77.845 2.118 -11.796 1.00 0.16 H new ATOM 0 HA TYR A 88 79.889 2.666 -13.957 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.521 0.126 -12.267 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.772 0.403 -13.462 1.00 0.21 H new ATOM 0 HD1 TYR A 88 81.633 3.244 -12.812 1.00 0.59 H new ATOM 0 HD2 TYR A 88 80.682 -0.111 -10.197 1.00 0.66 H new ATOM 0 HE1 TYR A 88 83.098 4.225 -11.017 1.00 0.70 H new ATOM 0 HE2 TYR A 88 82.147 0.870 -8.408 1.00 0.77 H new ATOM 0 HH TYR A 88 83.070 3.911 -8.184 1.00 0.80 H new