USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= -1.69! K(o=-7.9!,f=-6.4) USER MOD Set 1.2: A 69 GLN : amide:sc= -6.24! C(o=-7.9!,f=-11!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.014 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0385 (180deg=-0.358) USER MOD Single : A 13 THR OG1 : rot 119:sc= 1.28 USER MOD Single : A 19 CYS SG : rot -71:sc= 0.442 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 72:sc= 1.16 USER MOD Single : A 27 HIS : no HE2:sc= -6.7! C(o=-6.7!,f=-8.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.0651 (180deg=-0.475) USER MOD Single : A 34 CYS SG : rot 7:sc= -2.32 USER MOD Single : A 37 SER OG : rot -11:sc= -1.17! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0336 (180deg=-0.461) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -0.277 (180deg=-0.977) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -1.15 (180deg=-1.7) USER MOD Single : A 56 SER OG : rot 180:sc= -1.18 USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= -3.5! (180deg=-7.13!) USER MOD Single : A 70 ASN : amide:sc= -9.58! C(o=-9.6!,f=-21!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 83:sc= 0.103 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -157:sc= -0.0597 (180deg=-0.434) USER MOD Single : A 92 SER OG : rot -75:sc= -0.479 USER MOD Single : A 97 LYS NZ :NH3+ -114:sc= 0.154 (180deg=0) USER MOD Single : A 106 MET CE :methyl -178:sc= -4.54! (180deg=-4.78!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 4.851 -3.515 -1.082 1.00 10.31 N ATOM 30 CA ALA A 2 5.914 -3.816 -0.139 1.00 22.44 C ATOM 31 C ALA A 2 6.379 -5.259 -0.345 1.00 64.24 C ATOM 32 O ALA A 2 7.576 -5.541 -0.307 1.00 41.13 O ATOM 33 CB ALA A 2 5.420 -3.562 1.287 1.00 53.23 C ATOM 0 HA ALA A 2 6.772 -3.165 -0.308 1.00 22.44 H new ATOM 0 HB1 ALA A 2 6.218 -3.788 1.994 1.00 53.23 H new ATOM 0 HB2 ALA A 2 5.129 -2.517 1.390 1.00 53.23 H new ATOM 0 HB3 ALA A 2 4.561 -4.200 1.493 1.00 53.23 H new ATOM 39 N PHE A 3 5.409 -6.135 -0.560 1.00 33.11 N ATOM 40 CA PHE A 3 5.704 -7.542 -0.773 1.00 13.13 C ATOM 41 C PHE A 3 6.615 -7.733 -1.987 1.00 23.44 C ATOM 42 O PHE A 3 7.205 -8.798 -2.162 1.00 62.45 O ATOM 43 CB PHE A 3 4.370 -8.244 -1.036 1.00 11.33 C ATOM 44 CG PHE A 3 3.712 -8.821 0.219 1.00 25.05 C ATOM 45 CD1 PHE A 3 2.679 -8.163 0.809 1.00 34.14 C ATOM 46 CD2 PHE A 3 4.162 -9.992 0.745 1.00 11.02 C ATOM 47 CE1 PHE A 3 2.069 -8.699 1.974 1.00 15.13 C ATOM 48 CE2 PHE A 3 3.552 -10.528 1.910 1.00 12.32 C ATOM 49 CZ PHE A 3 2.518 -9.870 2.500 1.00 11.22 C ATOM 0 H PHE A 3 4.417 -5.898 -0.591 1.00 33.11 H new ATOM 0 HA PHE A 3 6.214 -7.951 0.099 1.00 13.13 H new ATOM 0 HB2 PHE A 3 3.684 -7.536 -1.500 1.00 11.33 H new ATOM 0 HB3 PHE A 3 4.530 -9.049 -1.753 1.00 11.33 H new ATOM 0 HD1 PHE A 3 2.322 -7.233 0.392 1.00 34.14 H new ATOM 0 HD2 PHE A 3 4.983 -10.514 0.277 1.00 11.02 H new ATOM 0 HE1 PHE A 3 1.248 -8.176 2.443 1.00 15.13 H new ATOM 0 HE2 PHE A 3 3.909 -11.458 2.327 1.00 12.32 H new ATOM 0 HZ PHE A 3 2.054 -10.277 3.386 1.00 11.22 H new ATOM 59 N ALA A 4 6.702 -6.685 -2.793 1.00 20.54 N ATOM 60 CA ALA A 4 7.532 -6.725 -3.985 1.00 12.12 C ATOM 61 C ALA A 4 8.857 -7.415 -3.656 1.00 3.42 C ATOM 62 O ALA A 4 9.476 -8.025 -4.526 1.00 45.30 O ATOM 63 CB ALA A 4 7.730 -5.304 -4.516 1.00 50.02 C ATOM 0 H ALA A 4 6.211 -5.803 -2.644 1.00 20.54 H new ATOM 0 HA ALA A 4 7.047 -7.303 -4.772 1.00 12.12 H new ATOM 0 HB1 ALA A 4 8.353 -5.333 -5.410 1.00 50.02 H new ATOM 0 HB2 ALA A 4 6.761 -4.869 -4.762 1.00 50.02 H new ATOM 0 HB3 ALA A 4 8.217 -4.696 -3.754 1.00 50.02 H new ATOM 69 N SER A 5 9.254 -7.294 -2.397 1.00 73.53 N ATOM 70 CA SER A 5 10.494 -7.899 -1.942 1.00 44.35 C ATOM 71 C SER A 5 10.270 -9.378 -1.622 1.00 55.14 C ATOM 72 O SER A 5 10.966 -10.244 -2.150 1.00 11.21 O ATOM 73 CB SER A 5 11.046 -7.168 -0.716 1.00 72.25 C ATOM 74 OG SER A 5 10.006 -6.697 0.137 1.00 50.05 O ATOM 0 H SER A 5 8.738 -6.786 -1.678 1.00 73.53 H new ATOM 0 HA SER A 5 11.229 -7.815 -2.743 1.00 44.35 H new ATOM 0 HB2 SER A 5 11.698 -7.839 -0.157 1.00 72.25 H new ATOM 0 HB3 SER A 5 11.658 -6.326 -1.041 1.00 72.25 H new ATOM 0 HG SER A 5 10.399 -6.238 0.909 1.00 50.05 H new ATOM 80 N VAL A 6 9.294 -9.622 -0.760 1.00 2.04 N ATOM 81 CA VAL A 6 8.969 -10.981 -0.363 1.00 33.42 C ATOM 82 C VAL A 6 8.473 -11.760 -1.583 1.00 44.45 C ATOM 83 O VAL A 6 9.100 -12.732 -2.000 1.00 62.42 O ATOM 84 CB VAL A 6 7.958 -10.964 0.785 1.00 13.45 C ATOM 85 CG1 VAL A 6 7.911 -12.318 1.496 1.00 41.21 C ATOM 86 CG2 VAL A 6 8.269 -9.837 1.773 1.00 50.14 C ATOM 0 H VAL A 6 8.718 -8.901 -0.325 1.00 2.04 H new ATOM 0 HA VAL A 6 9.857 -11.491 0.010 1.00 33.42 H new ATOM 0 HB VAL A 6 6.972 -10.775 0.360 1.00 13.45 H new ATOM 0 HG11 VAL A 6 7.184 -12.278 2.308 1.00 41.21 H new ATOM 0 HG12 VAL A 6 7.619 -13.092 0.786 1.00 41.21 H new ATOM 0 HG13 VAL A 6 8.896 -12.550 1.902 1.00 41.21 H new ATOM 0 HG21 VAL A 6 7.535 -9.847 2.579 1.00 50.14 H new ATOM 0 HG22 VAL A 6 9.266 -9.982 2.188 1.00 50.14 H new ATOM 0 HG23 VAL A 6 8.227 -8.878 1.256 1.00 50.14 H new ATOM 96 N LEU A 7 7.353 -11.302 -2.122 1.00 51.24 N ATOM 97 CA LEU A 7 6.766 -11.943 -3.287 1.00 2.20 C ATOM 98 C LEU A 7 6.783 -10.966 -4.464 1.00 50.32 C ATOM 99 O LEU A 7 7.306 -9.859 -4.349 1.00 44.42 O ATOM 100 CB LEU A 7 5.374 -12.484 -2.956 1.00 54.53 C ATOM 101 CG LEU A 7 5.188 -13.039 -1.543 1.00 21.31 C ATOM 102 CD1 LEU A 7 3.746 -12.857 -1.067 1.00 14.30 C ATOM 103 CD2 LEU A 7 5.637 -14.500 -1.465 1.00 11.13 C ATOM 0 H LEU A 7 6.836 -10.495 -1.774 1.00 51.24 H new ATOM 0 HA LEU A 7 7.357 -12.810 -3.584 1.00 2.20 H new ATOM 0 HB2 LEU A 7 4.649 -11.684 -3.109 1.00 54.53 H new ATOM 0 HB3 LEU A 7 5.134 -13.273 -3.669 1.00 54.53 H new ATOM 0 HG LEU A 7 5.824 -12.469 -0.866 1.00 21.31 H new ATOM 0 HD11 LEU A 7 3.642 -13.260 -0.060 1.00 14.30 H new ATOM 0 HD12 LEU A 7 3.496 -11.796 -1.061 1.00 14.30 H new ATOM 0 HD13 LEU A 7 3.071 -13.385 -1.741 1.00 14.30 H new ATOM 0 HD21 LEU A 7 5.494 -14.871 -0.450 1.00 11.13 H new ATOM 0 HD22 LEU A 7 5.046 -15.100 -2.157 1.00 11.13 H new ATOM 0 HD23 LEU A 7 6.691 -14.571 -1.733 1.00 11.13 H new ATOM 115 N LYS A 8 6.204 -11.411 -5.570 1.00 12.24 N ATOM 116 CA LYS A 8 6.146 -10.589 -6.767 1.00 34.42 C ATOM 117 C LYS A 8 4.821 -9.824 -6.791 1.00 2.21 C ATOM 118 O LYS A 8 3.768 -10.390 -6.503 1.00 14.40 O ATOM 119 CB LYS A 8 6.386 -11.443 -8.014 1.00 55.40 C ATOM 120 CG LYS A 8 7.440 -12.519 -7.748 1.00 0.24 C ATOM 121 CD LYS A 8 8.833 -11.900 -7.616 1.00 22.45 C ATOM 122 CE LYS A 8 9.885 -12.975 -7.334 1.00 45.12 C ATOM 123 NZ LYS A 8 9.944 -13.948 -8.448 1.00 54.42 N ATOM 0 H LYS A 8 5.771 -12.330 -5.662 1.00 12.24 H new ATOM 0 HA LYS A 8 6.943 -9.846 -6.759 1.00 34.42 H new ATOM 0 HB2 LYS A 8 5.452 -11.912 -8.323 1.00 55.40 H new ATOM 0 HB3 LYS A 8 6.710 -10.807 -8.838 1.00 55.40 H new ATOM 0 HG2 LYS A 8 7.190 -13.060 -6.835 1.00 0.24 H new ATOM 0 HG3 LYS A 8 7.436 -13.246 -8.560 1.00 0.24 H new ATOM 0 HD2 LYS A 8 9.087 -11.369 -8.533 1.00 22.45 H new ATOM 0 HD3 LYS A 8 8.834 -11.165 -6.811 1.00 22.45 H new ATOM 0 HE2 LYS A 8 10.861 -12.510 -7.198 1.00 45.12 H new ATOM 0 HE3 LYS A 8 9.645 -13.492 -6.405 1.00 45.12 H new ATOM 0 HZ1 LYS A 8 10.823 -14.500 -8.381 1.00 54.42 H new ATOM 0 HZ2 LYS A 8 9.127 -14.589 -8.392 1.00 54.42 H new ATOM 0 HZ3 LYS A 8 9.923 -13.439 -9.355 1.00 54.42 H new ATOM 136 N ASP A 9 4.918 -8.549 -7.137 1.00 11.40 N ATOM 137 CA ASP A 9 3.741 -7.700 -7.202 1.00 55.54 C ATOM 138 C ASP A 9 2.760 -8.273 -8.227 1.00 34.32 C ATOM 139 O ASP A 9 1.587 -7.904 -8.243 1.00 55.41 O ATOM 140 CB ASP A 9 4.108 -6.281 -7.643 1.00 21.23 C ATOM 141 CG ASP A 9 4.832 -6.189 -8.987 1.00 45.22 C ATOM 142 OD1 ASP A 9 4.339 -6.679 -10.014 1.00 13.43 O ATOM 143 OD2 ASP A 9 5.966 -5.575 -8.954 1.00 45.43 O ATOM 0 H ASP A 9 5.794 -8.083 -7.375 1.00 11.40 H new ATOM 0 HA ASP A 9 3.296 -7.665 -6.208 1.00 55.54 H new ATOM 0 HB2 ASP A 9 3.196 -5.686 -7.697 1.00 21.23 H new ATOM 0 HB3 ASP A 9 4.738 -5.830 -6.876 1.00 21.23 H new ATOM 149 N ALA A 10 3.276 -9.167 -9.057 1.00 22.40 N ATOM 150 CA ALA A 10 2.460 -9.796 -10.082 1.00 44.21 C ATOM 151 C ALA A 10 1.668 -10.949 -9.462 1.00 3.51 C ATOM 152 O ALA A 10 0.612 -11.324 -9.968 1.00 40.23 O ATOM 153 CB ALA A 10 3.355 -10.257 -11.235 1.00 13.31 C ATOM 0 H ALA A 10 4.249 -9.471 -9.041 1.00 22.40 H new ATOM 0 HA ALA A 10 1.742 -9.085 -10.490 1.00 44.21 H new ATOM 0 HB1 ALA A 10 2.743 -10.729 -12.004 1.00 13.31 H new ATOM 0 HB2 ALA A 10 3.873 -9.397 -11.660 1.00 13.31 H new ATOM 0 HB3 ALA A 10 4.087 -10.974 -10.863 1.00 13.31 H new ATOM 159 N GLU A 11 2.209 -11.478 -8.374 1.00 71.14 N ATOM 160 CA GLU A 11 1.566 -12.580 -7.680 1.00 32.52 C ATOM 161 C GLU A 11 0.552 -12.049 -6.664 1.00 43.03 C ATOM 162 O GLU A 11 -0.651 -12.256 -6.816 1.00 43.32 O ATOM 163 CB GLU A 11 2.601 -13.480 -7.002 1.00 2.14 C ATOM 164 CG GLU A 11 3.326 -14.352 -8.028 1.00 45.05 C ATOM 165 CD GLU A 11 2.492 -15.582 -8.390 1.00 73.22 C ATOM 166 OE1 GLU A 11 1.897 -15.630 -9.477 1.00 63.24 O ATOM 167 OE2 GLU A 11 2.474 -16.511 -7.496 1.00 21.35 O ATOM 0 H GLU A 11 3.085 -11.164 -7.957 1.00 71.14 H new ATOM 0 HA GLU A 11 1.033 -13.184 -8.414 1.00 32.52 H new ATOM 0 HB2 GLU A 11 3.325 -12.867 -6.465 1.00 2.14 H new ATOM 0 HB3 GLU A 11 2.109 -14.114 -6.264 1.00 2.14 H new ATOM 0 HG2 GLU A 11 3.530 -13.769 -8.926 1.00 45.05 H new ATOM 0 HG3 GLU A 11 4.289 -14.667 -7.627 1.00 45.05 H new ATOM 175 N VAL A 12 1.076 -11.375 -5.651 1.00 53.52 N ATOM 176 CA VAL A 12 0.232 -10.812 -4.611 1.00 14.21 C ATOM 177 C VAL A 12 -1.017 -10.199 -5.249 1.00 61.30 C ATOM 178 O VAL A 12 -2.119 -10.336 -4.720 1.00 51.43 O ATOM 179 CB VAL A 12 1.029 -9.809 -3.775 1.00 43.43 C ATOM 180 CG1 VAL A 12 2.317 -10.440 -3.243 1.00 42.00 C ATOM 181 CG2 VAL A 12 1.331 -8.542 -4.579 1.00 73.44 C ATOM 0 H VAL A 12 2.074 -11.206 -5.528 1.00 53.52 H new ATOM 0 HA VAL A 12 -0.102 -11.592 -3.927 1.00 14.21 H new ATOM 0 HB VAL A 12 0.416 -9.525 -2.919 1.00 43.43 H new ATOM 0 HG11 VAL A 12 2.865 -9.706 -2.652 1.00 42.00 H new ATOM 0 HG12 VAL A 12 2.070 -11.298 -2.618 1.00 42.00 H new ATOM 0 HG13 VAL A 12 2.935 -10.766 -4.080 1.00 42.00 H new ATOM 0 HG21 VAL A 12 1.898 -7.846 -3.961 1.00 73.44 H new ATOM 0 HG22 VAL A 12 1.914 -8.802 -5.462 1.00 73.44 H new ATOM 0 HG23 VAL A 12 0.396 -8.075 -4.887 1.00 73.44 H new ATOM 191 N THR A 13 -0.802 -9.538 -6.377 1.00 11.44 N ATOM 192 CA THR A 13 -1.896 -8.904 -7.092 1.00 53.34 C ATOM 193 C THR A 13 -3.083 -9.862 -7.210 1.00 20.24 C ATOM 194 O THR A 13 -4.199 -9.525 -6.817 1.00 61.13 O ATOM 195 CB THR A 13 -1.363 -8.428 -8.445 1.00 74.04 C ATOM 196 OG1 THR A 13 -0.884 -7.112 -8.186 1.00 43.51 O ATOM 197 CG2 THR A 13 -2.477 -8.223 -9.474 1.00 52.11 C ATOM 0 H THR A 13 0.113 -9.428 -6.813 1.00 11.44 H new ATOM 0 HA THR A 13 -2.272 -8.036 -6.550 1.00 53.34 H new ATOM 0 HB THR A 13 -0.645 -9.153 -8.827 1.00 74.04 H new ATOM 0 HG1 THR A 13 0.078 -7.072 -8.370 1.00 43.51 H new ATOM 0 HG21 THR A 13 -2.045 -7.885 -10.416 1.00 52.11 H new ATOM 0 HG22 THR A 13 -3.003 -9.164 -9.633 1.00 52.11 H new ATOM 0 HG23 THR A 13 -3.178 -7.473 -9.107 1.00 52.11 H new ATOM 205 N ALA A 14 -2.801 -11.038 -7.751 1.00 75.13 N ATOM 206 CA ALA A 14 -3.832 -12.048 -7.925 1.00 43.12 C ATOM 207 C ALA A 14 -4.589 -12.230 -6.608 1.00 65.20 C ATOM 208 O ALA A 14 -5.797 -12.458 -6.609 1.00 13.21 O ATOM 209 CB ALA A 14 -3.194 -13.349 -8.416 1.00 62.00 C ATOM 0 H ALA A 14 -1.874 -11.314 -8.075 1.00 75.13 H new ATOM 0 HA ALA A 14 -4.554 -11.734 -8.679 1.00 43.12 H new ATOM 0 HB1 ALA A 14 -3.967 -14.107 -8.547 1.00 62.00 H new ATOM 0 HB2 ALA A 14 -2.694 -13.172 -9.369 1.00 62.00 H new ATOM 0 HB3 ALA A 14 -2.466 -13.696 -7.683 1.00 62.00 H new ATOM 215 N ALA A 15 -3.846 -12.123 -5.516 1.00 62.21 N ATOM 216 CA ALA A 15 -4.432 -12.273 -4.195 1.00 24.51 C ATOM 217 C ALA A 15 -5.345 -11.080 -3.908 1.00 73.22 C ATOM 218 O ALA A 15 -6.387 -11.230 -3.272 1.00 74.43 O ATOM 219 CB ALA A 15 -3.318 -12.418 -3.156 1.00 2.11 C ATOM 0 H ALA A 15 -2.844 -11.934 -5.519 1.00 62.21 H new ATOM 0 HA ALA A 15 -5.043 -13.174 -4.146 1.00 24.51 H new ATOM 0 HB1 ALA A 15 -3.757 -12.531 -2.165 1.00 2.11 H new ATOM 0 HB2 ALA A 15 -2.716 -13.297 -3.388 1.00 2.11 H new ATOM 0 HB3 ALA A 15 -2.686 -11.530 -3.174 1.00 2.11 H new ATOM 225 N LEU A 16 -4.921 -9.922 -4.391 1.00 52.41 N ATOM 226 CA LEU A 16 -5.688 -8.703 -4.195 1.00 32.23 C ATOM 227 C LEU A 16 -7.000 -8.800 -4.977 1.00 4.51 C ATOM 228 O LEU A 16 -8.034 -8.312 -4.524 1.00 40.30 O ATOM 229 CB LEU A 16 -4.847 -7.477 -4.553 1.00 42.34 C ATOM 230 CG LEU A 16 -3.900 -6.971 -3.463 1.00 65.05 C ATOM 231 CD1 LEU A 16 -2.742 -6.175 -4.069 1.00 61.12 C ATOM 232 CD2 LEU A 16 -4.659 -6.165 -2.408 1.00 1.12 C ATOM 0 H LEU A 16 -4.056 -9.801 -4.918 1.00 52.41 H new ATOM 0 HA LEU A 16 -5.951 -8.583 -3.144 1.00 32.23 H new ATOM 0 HB2 LEU A 16 -4.257 -7.712 -5.439 1.00 42.34 H new ATOM 0 HB3 LEU A 16 -5.522 -6.665 -4.826 1.00 42.34 H new ATOM 0 HG LEU A 16 -3.468 -7.835 -2.958 1.00 65.05 H new ATOM 0 HD11 LEU A 16 -2.084 -5.827 -3.273 1.00 61.12 H new ATOM 0 HD12 LEU A 16 -2.180 -6.813 -4.752 1.00 61.12 H new ATOM 0 HD13 LEU A 16 -3.136 -5.318 -4.615 1.00 61.12 H new ATOM 0 HD21 LEU A 16 -3.962 -5.817 -1.645 1.00 1.12 H new ATOM 0 HD22 LEU A 16 -5.138 -5.307 -2.880 1.00 1.12 H new ATOM 0 HD23 LEU A 16 -5.419 -6.795 -1.946 1.00 1.12 H new ATOM 244 N ASP A 17 -6.914 -9.432 -6.138 1.00 22.01 N ATOM 245 CA ASP A 17 -8.081 -9.599 -6.987 1.00 42.44 C ATOM 246 C ASP A 17 -8.796 -10.899 -6.615 1.00 14.55 C ATOM 247 O ASP A 17 -9.951 -11.104 -6.985 1.00 12.22 O ATOM 248 CB ASP A 17 -7.681 -9.685 -8.462 1.00 31.13 C ATOM 249 CG ASP A 17 -8.730 -9.167 -9.448 1.00 0.34 C ATOM 250 OD1 ASP A 17 -9.456 -8.203 -9.160 1.00 22.41 O ATOM 251 OD2 ASP A 17 -8.787 -9.804 -10.568 1.00 2.40 O ATOM 0 H ASP A 17 -6.054 -9.835 -6.511 1.00 22.01 H new ATOM 0 HA ASP A 17 -8.732 -8.737 -6.839 1.00 42.44 H new ATOM 0 HB2 ASP A 17 -6.759 -9.122 -8.606 1.00 31.13 H new ATOM 0 HB3 ASP A 17 -7.460 -10.725 -8.703 1.00 31.13 H new ATOM 257 N GLY A 18 -8.081 -11.743 -5.886 1.00 45.42 N ATOM 258 CA GLY A 18 -8.633 -13.017 -5.459 1.00 44.01 C ATOM 259 C GLY A 18 -9.745 -12.815 -4.428 1.00 40.22 C ATOM 260 O GLY A 18 -10.418 -13.769 -4.041 1.00 12.41 O ATOM 0 H GLY A 18 -7.124 -11.569 -5.580 1.00 45.42 H new ATOM 0 HA2 GLY A 18 -9.026 -13.555 -6.322 1.00 44.01 H new ATOM 0 HA3 GLY A 18 -7.843 -13.634 -5.031 1.00 44.01 H new ATOM 264 N CYS A 19 -9.904 -11.567 -4.013 1.00 44.41 N ATOM 265 CA CYS A 19 -10.923 -11.227 -3.035 1.00 23.14 C ATOM 266 C CYS A 19 -11.606 -9.933 -3.482 1.00 20.32 C ATOM 267 O CYS A 19 -12.165 -9.207 -2.662 1.00 2.34 O ATOM 268 CB CYS A 19 -10.337 -11.106 -1.626 1.00 42.14 C ATOM 269 SG CYS A 19 -8.976 -9.883 -1.618 1.00 42.51 S ATOM 0 H CYS A 19 -9.344 -10.778 -4.337 1.00 44.41 H new ATOM 0 HA CYS A 19 -11.662 -12.027 -2.983 1.00 23.14 H new ATOM 0 HB2 CYS A 19 -11.114 -10.802 -0.925 1.00 42.14 H new ATOM 0 HB3 CYS A 19 -9.968 -12.076 -1.292 1.00 42.14 H new ATOM 0 HG CYS A 19 -7.950 -10.371 -2.251 1.00 42.51 H new ATOM 275 N LYS A 20 -11.539 -9.685 -4.781 1.00 43.15 N ATOM 276 CA LYS A 20 -12.144 -8.491 -5.348 1.00 20.44 C ATOM 277 C LYS A 20 -13.629 -8.454 -4.980 1.00 24.13 C ATOM 278 O LYS A 20 -14.139 -7.422 -4.547 1.00 3.04 O ATOM 279 CB LYS A 20 -11.882 -8.420 -6.853 1.00 65.12 C ATOM 280 CG LYS A 20 -12.598 -9.554 -7.589 1.00 32.31 C ATOM 281 CD LYS A 20 -12.108 -9.666 -9.034 1.00 21.41 C ATOM 282 CE LYS A 20 -13.042 -10.550 -9.863 1.00 13.30 C ATOM 283 NZ LYS A 20 -12.299 -11.197 -10.967 1.00 54.35 N ATOM 0 H LYS A 20 -11.075 -10.290 -5.458 1.00 43.15 H new ATOM 0 HA LYS A 20 -11.687 -7.596 -4.926 1.00 20.44 H new ATOM 0 HB2 LYS A 20 -12.222 -7.459 -7.240 1.00 65.12 H new ATOM 0 HB3 LYS A 20 -10.810 -8.479 -7.042 1.00 65.12 H new ATOM 0 HG2 LYS A 20 -12.425 -10.496 -7.069 1.00 32.31 H new ATOM 0 HG3 LYS A 20 -13.673 -9.377 -7.579 1.00 32.31 H new ATOM 0 HD2 LYS A 20 -12.050 -8.673 -9.480 1.00 21.41 H new ATOM 0 HD3 LYS A 20 -11.100 -10.081 -9.049 1.00 21.41 H new ATOM 0 HE2 LYS A 20 -13.493 -11.311 -9.226 1.00 13.30 H new ATOM 0 HE3 LYS A 20 -13.856 -9.949 -10.268 1.00 13.30 H new ATOM 0 HZ1 LYS A 20 -12.948 -11.793 -11.520 1.00 54.35 H new ATOM 0 HZ2 LYS A 20 -11.889 -10.467 -11.584 1.00 54.35 H new ATOM 0 HZ3 LYS A 20 -11.537 -11.786 -10.574 1.00 54.35 H new ATOM 296 N ALA A 21 -14.280 -9.593 -5.166 1.00 13.54 N ATOM 297 CA ALA A 21 -15.696 -9.703 -4.859 1.00 33.13 C ATOM 298 C ALA A 21 -15.890 -9.656 -3.342 1.00 20.43 C ATOM 299 O ALA A 21 -15.728 -10.667 -2.660 1.00 62.42 O ATOM 300 CB ALA A 21 -16.255 -10.986 -5.479 1.00 5.45 C ATOM 0 H ALA A 21 -13.853 -10.447 -5.525 1.00 13.54 H new ATOM 0 HA ALA A 21 -16.248 -8.866 -5.288 1.00 33.13 H new ATOM 0 HB1 ALA A 21 -17.317 -11.069 -5.249 1.00 5.45 H new ATOM 0 HB2 ALA A 21 -16.119 -10.957 -6.560 1.00 5.45 H new ATOM 0 HB3 ALA A 21 -15.727 -11.848 -5.070 1.00 5.45 H new ATOM 306 N ALA A 22 -16.234 -8.472 -2.857 1.00 72.24 N ATOM 307 CA ALA A 22 -16.452 -8.280 -1.434 1.00 22.44 C ATOM 308 C ALA A 22 -17.335 -9.410 -0.900 1.00 65.52 C ATOM 309 O ALA A 22 -18.385 -9.703 -1.469 1.00 34.15 O ATOM 310 CB ALA A 22 -17.064 -6.899 -1.192 1.00 24.00 C ATOM 0 H ALA A 22 -16.367 -7.635 -3.425 1.00 72.24 H new ATOM 0 HA ALA A 22 -15.506 -8.317 -0.893 1.00 22.44 H new ATOM 0 HB1 ALA A 22 -17.227 -6.756 -0.124 1.00 24.00 H new ATOM 0 HB2 ALA A 22 -16.385 -6.130 -1.562 1.00 24.00 H new ATOM 0 HB3 ALA A 22 -18.016 -6.826 -1.718 1.00 24.00 H new ATOM 316 N GLY A 23 -16.875 -10.015 0.186 1.00 50.04 N ATOM 317 CA GLY A 23 -17.610 -11.107 0.802 1.00 2.50 C ATOM 318 C GLY A 23 -16.972 -12.456 0.465 1.00 10.13 C ATOM 319 O GLY A 23 -17.179 -13.439 1.175 1.00 1.24 O ATOM 0 H GLY A 23 -16.003 -9.770 0.655 1.00 50.04 H new ATOM 0 HA2 GLY A 23 -17.632 -10.971 1.883 1.00 2.50 H new ATOM 0 HA3 GLY A 23 -18.644 -11.094 0.458 1.00 2.50 H new ATOM 323 N SER A 24 -16.209 -12.460 -0.618 1.00 74.01 N ATOM 324 CA SER A 24 -15.540 -13.673 -1.058 1.00 10.54 C ATOM 325 C SER A 24 -14.096 -13.685 -0.553 1.00 63.20 C ATOM 326 O SER A 24 -13.262 -14.430 -1.066 1.00 22.14 O ATOM 327 CB SER A 24 -15.571 -13.797 -2.582 1.00 42.11 C ATOM 328 OG SER A 24 -16.684 -13.113 -3.151 1.00 72.21 O ATOM 0 H SER A 24 -16.039 -11.643 -1.204 1.00 74.01 H new ATOM 0 HA SER A 24 -16.072 -14.528 -0.641 1.00 10.54 H new ATOM 0 HB2 SER A 24 -14.647 -13.394 -2.997 1.00 42.11 H new ATOM 0 HB3 SER A 24 -15.613 -14.850 -2.859 1.00 42.11 H new ATOM 0 HG SER A 24 -16.539 -12.146 -3.092 1.00 72.21 H new ATOM 334 N PHE A 25 -13.844 -12.852 0.446 1.00 52.44 N ATOM 335 CA PHE A 25 -12.515 -12.757 1.025 1.00 30.41 C ATOM 336 C PHE A 25 -12.213 -13.972 1.905 1.00 13.03 C ATOM 337 O PHE A 25 -12.962 -14.271 2.834 1.00 21.14 O ATOM 338 CB PHE A 25 -12.493 -11.497 1.892 1.00 52.45 C ATOM 339 CG PHE A 25 -11.170 -11.268 2.625 1.00 62.14 C ATOM 340 CD1 PHE A 25 -11.079 -11.518 3.958 1.00 33.24 C ATOM 341 CD2 PHE A 25 -10.084 -10.815 1.943 1.00 50.05 C ATOM 342 CE1 PHE A 25 -9.851 -11.306 4.639 1.00 72.12 C ATOM 343 CE2 PHE A 25 -8.856 -10.603 2.623 1.00 42.11 C ATOM 344 CZ PHE A 25 -8.765 -10.853 3.957 1.00 53.13 C ATOM 0 H PHE A 25 -14.538 -12.236 0.869 1.00 52.44 H new ATOM 0 HA PHE A 25 -11.766 -12.719 0.234 1.00 30.41 H new ATOM 0 HB2 PHE A 25 -12.702 -10.632 1.263 1.00 52.45 H new ATOM 0 HB3 PHE A 25 -13.297 -11.559 2.626 1.00 52.45 H new ATOM 0 HD1 PHE A 25 -11.941 -11.878 4.500 1.00 33.24 H new ATOM 0 HD2 PHE A 25 -10.156 -10.617 0.884 1.00 50.05 H new ATOM 0 HE1 PHE A 25 -9.779 -11.504 5.698 1.00 72.12 H new ATOM 0 HE2 PHE A 25 -7.994 -10.243 2.081 1.00 42.11 H new ATOM 0 HZ PHE A 25 -7.831 -10.692 4.474 1.00 53.13 H new ATOM 354 N ASP A 26 -11.115 -14.639 1.582 1.00 72.03 N ATOM 355 CA ASP A 26 -10.705 -15.814 2.331 1.00 33.34 C ATOM 356 C ASP A 26 -9.228 -15.685 2.707 1.00 42.31 C ATOM 357 O ASP A 26 -8.356 -16.171 1.988 1.00 20.13 O ATOM 358 CB ASP A 26 -10.871 -17.086 1.496 1.00 11.44 C ATOM 359 CG ASP A 26 -12.263 -17.718 1.551 1.00 30.43 C ATOM 360 OD1 ASP A 26 -12.930 -17.884 0.519 1.00 15.15 O ATOM 361 OD2 ASP A 26 -12.664 -18.052 2.731 1.00 20.21 O ATOM 0 H ASP A 26 -10.496 -14.388 0.811 1.00 72.03 H new ATOM 0 HA ASP A 26 -11.332 -15.882 3.220 1.00 33.34 H new ATOM 0 HB2 ASP A 26 -10.634 -16.854 0.458 1.00 11.44 H new ATOM 0 HB3 ASP A 26 -10.141 -17.822 1.833 1.00 11.44 H new ATOM 367 N HIS A 27 -8.992 -15.026 3.832 1.00 23.20 N ATOM 368 CA HIS A 27 -7.635 -14.826 4.312 1.00 62.43 C ATOM 369 C HIS A 27 -6.817 -16.099 4.082 1.00 44.33 C ATOM 370 O HIS A 27 -5.773 -16.061 3.432 1.00 3.13 O ATOM 371 CB HIS A 27 -7.636 -14.379 5.775 1.00 51.33 C ATOM 372 CG HIS A 27 -8.183 -15.410 6.732 1.00 33.41 C ATOM 373 ND1 HIS A 27 -9.536 -15.552 6.989 1.00 61.45 N ATOM 374 CD2 HIS A 27 -7.547 -16.348 7.491 1.00 61.53 C ATOM 375 CE1 HIS A 27 -9.695 -16.534 7.864 1.00 2.11 C ATOM 376 NE2 HIS A 27 -8.461 -17.026 8.175 1.00 41.45 N ATOM 0 H HIS A 27 -9.718 -14.624 4.425 1.00 23.20 H new ATOM 0 HA HIS A 27 -7.161 -14.023 3.748 1.00 62.43 H new ATOM 0 HB2 HIS A 27 -6.616 -14.130 6.069 1.00 51.33 H new ATOM 0 HB3 HIS A 27 -8.225 -13.466 5.865 1.00 51.33 H new ATOM 0 HD1 HIS A 27 -10.284 -14.995 6.575 1.00 61.45 H new ATOM 0 HD2 HIS A 27 -6.480 -16.512 7.529 1.00 61.53 H new ATOM 0 HE1 HIS A 27 -10.636 -16.884 8.261 1.00 2.11 H new ATOM 384 N LYS A 28 -7.322 -17.195 4.627 1.00 20.30 N ATOM 385 CA LYS A 28 -6.651 -18.477 4.490 1.00 52.14 C ATOM 386 C LYS A 28 -6.263 -18.690 3.025 1.00 33.10 C ATOM 387 O LYS A 28 -5.143 -19.104 2.730 1.00 73.13 O ATOM 388 CB LYS A 28 -7.517 -19.599 5.066 1.00 23.21 C ATOM 389 CG LYS A 28 -7.243 -19.790 6.559 1.00 35.25 C ATOM 390 CD LYS A 28 -7.732 -21.160 7.035 1.00 1.24 C ATOM 391 CE LYS A 28 -9.259 -21.199 7.117 1.00 31.13 C ATOM 392 NZ LYS A 28 -9.737 -22.597 7.206 1.00 15.15 N ATOM 0 H LYS A 28 -8.188 -17.222 5.165 1.00 20.30 H new ATOM 0 HA LYS A 28 -5.728 -18.488 5.070 1.00 52.14 H new ATOM 0 HB2 LYS A 28 -8.571 -19.365 4.913 1.00 23.21 H new ATOM 0 HB3 LYS A 28 -7.316 -20.529 4.534 1.00 23.21 H new ATOM 0 HG2 LYS A 28 -6.174 -19.694 6.752 1.00 35.25 H new ATOM 0 HG3 LYS A 28 -7.741 -19.004 7.127 1.00 35.25 H new ATOM 0 HD2 LYS A 28 -7.381 -21.933 6.351 1.00 1.24 H new ATOM 0 HD3 LYS A 28 -7.306 -21.382 8.013 1.00 1.24 H new ATOM 0 HE2 LYS A 28 -9.597 -20.637 7.987 1.00 31.13 H new ATOM 0 HE3 LYS A 28 -9.689 -20.716 6.239 1.00 31.13 H new ATOM 0 HZ1 LYS A 28 -10.776 -22.606 7.261 1.00 15.15 H new ATOM 0 HZ2 LYS A 28 -9.430 -23.123 6.363 1.00 15.15 H new ATOM 0 HZ3 LYS A 28 -9.341 -23.046 8.057 1.00 15.15 H new ATOM 405 N LYS A 29 -7.211 -18.398 2.146 1.00 1.35 N ATOM 406 CA LYS A 29 -6.982 -18.552 0.720 1.00 74.11 C ATOM 407 C LYS A 29 -5.857 -17.612 0.283 1.00 14.42 C ATOM 408 O LYS A 29 -4.832 -18.059 -0.228 1.00 74.54 O ATOM 409 CB LYS A 29 -8.286 -18.354 -0.056 1.00 41.32 C ATOM 410 CG LYS A 29 -9.292 -19.459 0.271 1.00 53.13 C ATOM 411 CD LYS A 29 -8.969 -20.740 -0.500 1.00 71.32 C ATOM 412 CE LYS A 29 -10.116 -21.748 -0.394 1.00 45.12 C ATOM 413 NZ LYS A 29 -10.069 -22.706 -1.521 1.00 54.03 N ATOM 0 H LYS A 29 -8.139 -18.056 2.394 1.00 1.35 H new ATOM 0 HA LYS A 29 -6.654 -19.567 0.494 1.00 74.11 H new ATOM 0 HB2 LYS A 29 -8.715 -17.382 0.189 1.00 41.32 H new ATOM 0 HB3 LYS A 29 -8.079 -18.350 -1.126 1.00 41.32 H new ATOM 0 HG2 LYS A 29 -9.279 -19.662 1.342 1.00 53.13 H new ATOM 0 HG3 LYS A 29 -10.299 -19.124 0.022 1.00 53.13 H new ATOM 0 HD2 LYS A 29 -8.785 -20.502 -1.548 1.00 71.32 H new ATOM 0 HD3 LYS A 29 -8.053 -21.183 -0.109 1.00 71.32 H new ATOM 0 HE2 LYS A 29 -10.049 -22.286 0.552 1.00 45.12 H new ATOM 0 HE3 LYS A 29 -11.071 -21.223 -0.395 1.00 45.12 H new ATOM 0 HZ1 LYS A 29 -10.854 -23.383 -1.434 1.00 54.03 H new ATOM 0 HZ2 LYS A 29 -10.155 -22.189 -2.420 1.00 54.03 H new ATOM 0 HZ3 LYS A 29 -9.165 -23.220 -1.502 1.00 54.03 H new ATOM 426 N PHE A 30 -6.087 -16.325 0.501 1.00 20.01 N ATOM 427 CA PHE A 30 -5.106 -15.317 0.136 1.00 24.45 C ATOM 428 C PHE A 30 -3.685 -15.803 0.433 1.00 52.13 C ATOM 429 O PHE A 30 -2.878 -15.966 -0.481 1.00 1.11 O ATOM 430 CB PHE A 30 -5.397 -14.080 0.988 1.00 30.42 C ATOM 431 CG PHE A 30 -4.988 -12.761 0.330 1.00 61.21 C ATOM 432 CD1 PHE A 30 -3.672 -12.480 0.131 1.00 12.44 C ATOM 433 CD2 PHE A 30 -5.940 -11.870 -0.057 1.00 21.14 C ATOM 434 CE1 PHE A 30 -3.293 -11.255 -0.479 1.00 64.34 C ATOM 435 CE2 PHE A 30 -5.560 -10.646 -0.667 1.00 52.34 C ATOM 436 CZ PHE A 30 -4.244 -10.364 -0.866 1.00 35.21 C ATOM 0 H PHE A 30 -6.938 -15.957 0.926 1.00 20.01 H new ATOM 0 HA PHE A 30 -5.173 -15.101 -0.930 1.00 24.45 H new ATOM 0 HB2 PHE A 30 -6.463 -14.048 1.211 1.00 30.42 H new ATOM 0 HB3 PHE A 30 -4.875 -14.176 1.940 1.00 30.42 H new ATOM 0 HD1 PHE A 30 -2.916 -13.188 0.437 1.00 12.44 H new ATOM 0 HD2 PHE A 30 -6.985 -12.094 0.100 1.00 21.14 H new ATOM 0 HE1 PHE A 30 -2.248 -11.031 -0.636 1.00 64.34 H new ATOM 0 HE2 PHE A 30 -6.316 -9.938 -0.973 1.00 52.34 H new ATOM 0 HZ PHE A 30 -3.955 -9.433 -1.331 1.00 35.21 H new ATOM 446 N PHE A 31 -3.423 -16.020 1.713 1.00 34.31 N ATOM 447 CA PHE A 31 -2.115 -16.484 2.141 1.00 5.12 C ATOM 448 C PHE A 31 -1.690 -17.728 1.358 1.00 40.44 C ATOM 449 O PHE A 31 -0.514 -17.892 1.037 1.00 61.02 O ATOM 450 CB PHE A 31 -2.231 -16.845 3.623 1.00 4.35 C ATOM 451 CG PHE A 31 -2.378 -15.635 4.549 1.00 51.14 C ATOM 452 CD1 PHE A 31 -3.537 -15.439 5.233 1.00 71.52 C ATOM 453 CD2 PHE A 31 -1.350 -14.755 4.687 1.00 73.13 C ATOM 454 CE1 PHE A 31 -3.674 -14.317 6.091 1.00 10.33 C ATOM 455 CE2 PHE A 31 -1.487 -13.632 5.545 1.00 32.32 C ATOM 456 CZ PHE A 31 -2.646 -13.437 6.229 1.00 13.14 C ATOM 0 H PHE A 31 -4.095 -15.883 2.468 1.00 34.31 H new ATOM 0 HA PHE A 31 -1.371 -15.707 1.968 1.00 5.12 H new ATOM 0 HB2 PHE A 31 -3.090 -17.501 3.760 1.00 4.35 H new ATOM 0 HB3 PHE A 31 -1.348 -17.411 3.919 1.00 4.35 H new ATOM 0 HD1 PHE A 31 -4.353 -16.137 5.123 1.00 71.52 H new ATOM 0 HD2 PHE A 31 -0.430 -14.910 4.144 1.00 73.13 H new ATOM 0 HE1 PHE A 31 -4.594 -14.162 6.634 1.00 10.33 H new ATOM 0 HE2 PHE A 31 -0.671 -12.933 5.654 1.00 32.32 H new ATOM 0 HZ PHE A 31 -2.750 -12.583 6.882 1.00 13.14 H new ATOM 466 N LYS A 32 -2.671 -18.571 1.072 1.00 62.31 N ATOM 467 CA LYS A 32 -2.414 -19.795 0.332 1.00 65.01 C ATOM 468 C LYS A 32 -2.166 -19.454 -1.139 1.00 31.01 C ATOM 469 O LYS A 32 -1.528 -20.221 -1.859 1.00 12.32 O ATOM 470 CB LYS A 32 -3.547 -20.800 0.548 1.00 23.11 C ATOM 471 CG LYS A 32 -3.125 -22.204 0.111 1.00 22.41 C ATOM 472 CD LYS A 32 -4.339 -23.038 -0.301 1.00 74.34 C ATOM 473 CE LYS A 32 -5.082 -23.570 0.926 1.00 21.02 C ATOM 474 NZ LYS A 32 -4.259 -24.575 1.635 1.00 65.44 N ATOM 0 H LYS A 32 -3.645 -18.431 1.339 1.00 62.31 H new ATOM 0 HA LYS A 32 -1.512 -20.282 0.703 1.00 65.01 H new ATOM 0 HB2 LYS A 32 -3.831 -20.813 1.600 1.00 23.11 H new ATOM 0 HB3 LYS A 32 -4.426 -20.489 -0.016 1.00 23.11 H new ATOM 0 HG2 LYS A 32 -2.427 -22.135 -0.723 1.00 22.41 H new ATOM 0 HG3 LYS A 32 -2.599 -22.700 0.927 1.00 22.41 H new ATOM 0 HD2 LYS A 32 -5.014 -22.431 -0.904 1.00 74.34 H new ATOM 0 HD3 LYS A 32 -4.017 -23.872 -0.925 1.00 74.34 H new ATOM 0 HE2 LYS A 32 -5.321 -22.747 1.599 1.00 21.02 H new ATOM 0 HE3 LYS A 32 -6.028 -24.016 0.620 1.00 21.02 H new ATOM 0 HZ1 LYS A 32 -4.875 -25.184 2.212 1.00 65.44 H new ATOM 0 HZ2 LYS A 32 -3.748 -25.157 0.941 1.00 65.44 H new ATOM 0 HZ3 LYS A 32 -3.575 -24.091 2.251 1.00 65.44 H new ATOM 487 N ALA A 33 -2.684 -18.303 -1.542 1.00 10.04 N ATOM 488 CA ALA A 33 -2.527 -17.851 -2.914 1.00 34.03 C ATOM 489 C ALA A 33 -1.086 -17.387 -3.132 1.00 22.12 C ATOM 490 O ALA A 33 -0.366 -17.952 -3.954 1.00 1.22 O ATOM 491 CB ALA A 33 -3.546 -16.748 -3.207 1.00 43.43 C ATOM 0 H ALA A 33 -3.213 -17.670 -0.942 1.00 10.04 H new ATOM 0 HA ALA A 33 -2.719 -18.666 -3.611 1.00 34.03 H new ATOM 0 HB1 ALA A 33 -3.429 -16.408 -4.236 1.00 43.43 H new ATOM 0 HB2 ALA A 33 -4.554 -17.137 -3.066 1.00 43.43 H new ATOM 0 HB3 ALA A 33 -3.382 -15.911 -2.528 1.00 43.43 H new ATOM 497 N CYS A 34 -0.708 -16.363 -2.381 1.00 65.10 N ATOM 498 CA CYS A 34 0.635 -15.817 -2.482 1.00 1.20 C ATOM 499 C CYS A 34 1.629 -16.907 -2.078 1.00 21.35 C ATOM 500 O CYS A 34 2.807 -16.838 -2.424 1.00 3.44 O ATOM 501 CB CYS A 34 0.797 -14.554 -1.634 1.00 2.23 C ATOM 502 SG CYS A 34 0.182 -14.856 0.063 1.00 72.31 S ATOM 0 H CYS A 34 -1.308 -15.897 -1.700 1.00 65.10 H new ATOM 0 HA CYS A 34 0.830 -15.513 -3.510 1.00 1.20 H new ATOM 0 HB2 CYS A 34 1.846 -14.259 -1.602 1.00 2.23 H new ATOM 0 HB3 CYS A 34 0.248 -13.729 -2.087 1.00 2.23 H new ATOM 0 HG CYS A 34 -0.109 -16.115 0.201 1.00 72.31 H new ATOM 508 N GLY A 35 1.117 -17.890 -1.350 1.00 44.44 N ATOM 509 CA GLY A 35 1.946 -18.993 -0.895 1.00 75.41 C ATOM 510 C GLY A 35 2.297 -18.840 0.586 1.00 21.51 C ATOM 511 O GLY A 35 2.814 -19.770 1.204 1.00 4.31 O ATOM 0 H GLY A 35 0.139 -17.945 -1.065 1.00 44.44 H new ATOM 0 HA2 GLY A 35 1.422 -19.936 -1.053 1.00 75.41 H new ATOM 0 HA3 GLY A 35 2.860 -19.034 -1.487 1.00 75.41 H new ATOM 515 N LEU A 36 2.002 -17.661 1.113 1.00 63.12 N ATOM 516 CA LEU A 36 2.281 -17.375 2.510 1.00 53.52 C ATOM 517 C LEU A 36 1.941 -18.603 3.356 1.00 61.55 C ATOM 518 O LEU A 36 2.640 -18.910 4.320 1.00 11.13 O ATOM 519 CB LEU A 36 1.552 -16.104 2.952 1.00 44.44 C ATOM 520 CG LEU A 36 2.344 -14.800 2.829 1.00 0.02 C ATOM 521 CD1 LEU A 36 1.459 -13.590 3.135 1.00 74.25 C ATOM 522 CD2 LEU A 36 3.594 -14.833 3.711 1.00 11.41 C ATOM 0 H LEU A 36 1.573 -16.893 0.598 1.00 63.12 H new ATOM 0 HA LEU A 36 3.343 -17.173 2.652 1.00 53.52 H new ATOM 0 HB2 LEU A 36 0.640 -16.009 2.363 1.00 44.44 H new ATOM 0 HB3 LEU A 36 1.249 -16.225 3.992 1.00 44.44 H new ATOM 0 HG LEU A 36 2.680 -14.700 1.797 1.00 0.02 H new ATOM 0 HD11 LEU A 36 2.046 -12.677 3.040 1.00 74.25 H new ATOM 0 HD12 LEU A 36 0.627 -13.561 2.432 1.00 74.25 H new ATOM 0 HD13 LEU A 36 1.073 -13.669 4.151 1.00 74.25 H new ATOM 0 HD21 LEU A 36 4.139 -13.895 3.605 1.00 11.41 H new ATOM 0 HD22 LEU A 36 3.301 -14.967 4.752 1.00 11.41 H new ATOM 0 HD23 LEU A 36 4.234 -15.661 3.405 1.00 11.41 H new ATOM 534 N SER A 37 0.868 -19.274 2.963 1.00 61.21 N ATOM 535 CA SER A 37 0.427 -20.463 3.673 1.00 43.11 C ATOM 536 C SER A 37 1.422 -21.604 3.450 1.00 35.31 C ATOM 537 O SER A 37 1.544 -22.118 2.339 1.00 35.12 O ATOM 538 CB SER A 37 -0.974 -20.884 3.225 1.00 64.22 C ATOM 539 OG SER A 37 -0.932 -21.824 2.154 1.00 4.31 O ATOM 0 H SER A 37 0.291 -19.017 2.162 1.00 61.21 H new ATOM 0 HA SER A 37 0.383 -20.230 4.737 1.00 43.11 H new ATOM 0 HB2 SER A 37 -1.509 -21.320 4.069 1.00 64.22 H new ATOM 0 HB3 SER A 37 -1.535 -20.003 2.913 1.00 64.22 H new ATOM 0 HG SER A 37 -0.020 -21.875 1.799 1.00 4.31 H new ATOM 545 N GLY A 38 2.107 -21.968 4.524 1.00 12.52 N ATOM 546 CA GLY A 38 3.087 -23.039 4.460 1.00 15.31 C ATOM 547 C GLY A 38 4.510 -22.479 4.435 1.00 2.23 C ATOM 548 O GLY A 38 5.464 -23.183 4.764 1.00 52.11 O ATOM 0 H GLY A 38 2.003 -21.540 5.444 1.00 12.52 H new ATOM 0 HA2 GLY A 38 2.967 -23.698 5.320 1.00 15.31 H new ATOM 0 HA3 GLY A 38 2.914 -23.642 3.569 1.00 15.31 H new ATOM 552 N LYS A 39 4.609 -21.217 4.042 1.00 21.34 N ATOM 553 CA LYS A 39 5.900 -20.555 3.970 1.00 3.15 C ATOM 554 C LYS A 39 6.611 -20.684 5.319 1.00 31.32 C ATOM 555 O LYS A 39 6.138 -21.390 6.209 1.00 12.50 O ATOM 556 CB LYS A 39 5.735 -19.109 3.499 1.00 41.14 C ATOM 557 CG LYS A 39 5.809 -19.018 1.973 1.00 24.01 C ATOM 558 CD LYS A 39 7.148 -19.550 1.457 1.00 51.22 C ATOM 559 CE LYS A 39 7.569 -18.825 0.177 1.00 1.30 C ATOM 560 NZ LYS A 39 8.420 -19.701 -0.659 1.00 2.32 N ATOM 0 H LYS A 39 3.816 -20.636 3.770 1.00 21.34 H new ATOM 0 HA LYS A 39 6.534 -21.038 3.227 1.00 3.15 H new ATOM 0 HB2 LYS A 39 4.778 -18.717 3.844 1.00 41.14 H new ATOM 0 HB3 LYS A 39 6.513 -18.487 3.942 1.00 41.14 H new ATOM 0 HG2 LYS A 39 4.992 -19.588 1.531 1.00 24.01 H new ATOM 0 HG3 LYS A 39 5.680 -17.982 1.660 1.00 24.01 H new ATOM 0 HD2 LYS A 39 7.914 -19.420 2.222 1.00 51.22 H new ATOM 0 HD3 LYS A 39 7.068 -20.620 1.264 1.00 51.22 H new ATOM 0 HE2 LYS A 39 6.685 -18.524 -0.385 1.00 1.30 H new ATOM 0 HE3 LYS A 39 8.112 -17.914 0.430 1.00 1.30 H new ATOM 0 HZ1 LYS A 39 8.697 -19.194 -1.524 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 9.272 -19.968 -0.126 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 7.890 -20.558 -0.915 1.00 2.32 H new ATOM 573 N SER A 40 7.736 -19.992 5.428 1.00 35.42 N ATOM 574 CA SER A 40 8.516 -20.021 6.653 1.00 21.05 C ATOM 575 C SER A 40 7.964 -19.000 7.650 1.00 55.10 C ATOM 576 O SER A 40 7.592 -17.892 7.267 1.00 42.41 O ATOM 577 CB SER A 40 9.994 -19.742 6.372 1.00 53.12 C ATOM 578 OG SER A 40 10.580 -20.749 5.552 1.00 44.12 O ATOM 0 H SER A 40 8.126 -19.408 4.688 1.00 35.42 H new ATOM 0 HA SER A 40 8.438 -21.019 7.084 1.00 21.05 H new ATOM 0 HB2 SER A 40 10.094 -18.773 5.883 1.00 53.12 H new ATOM 0 HB3 SER A 40 10.537 -19.681 7.315 1.00 53.12 H new ATOM 0 HG SER A 40 11.523 -20.534 5.394 1.00 44.12 H new ATOM 584 N THR A 41 7.927 -19.410 8.909 1.00 14.13 N ATOM 585 CA THR A 41 7.426 -18.545 9.964 1.00 53.33 C ATOM 586 C THR A 41 8.320 -17.313 10.113 1.00 44.45 C ATOM 587 O THR A 41 7.961 -16.359 10.802 1.00 72.51 O ATOM 588 CB THR A 41 7.316 -19.375 11.244 1.00 4.43 C ATOM 589 OG1 THR A 41 6.145 -20.162 11.049 1.00 61.12 O ATOM 590 CG2 THR A 41 6.990 -18.519 12.470 1.00 20.33 C ATOM 0 H THR A 41 8.236 -20.330 9.223 1.00 14.13 H new ATOM 0 HA THR A 41 6.435 -18.161 9.723 1.00 53.33 H new ATOM 0 HB THR A 41 8.252 -19.909 11.412 1.00 4.43 H new ATOM 0 HG1 THR A 41 6.000 -20.732 11.833 1.00 61.12 H new ATOM 0 HG21 THR A 41 6.923 -19.157 13.352 1.00 20.33 H new ATOM 0 HG22 THR A 41 7.777 -17.779 12.616 1.00 20.33 H new ATOM 0 HG23 THR A 41 6.038 -18.011 12.316 1.00 20.33 H new ATOM 598 N ASP A 42 9.469 -17.372 9.455 1.00 51.13 N ATOM 599 CA ASP A 42 10.418 -16.273 9.505 1.00 11.31 C ATOM 600 C ASP A 42 9.922 -15.135 8.610 1.00 64.33 C ATOM 601 O ASP A 42 9.787 -13.999 9.061 1.00 63.10 O ATOM 602 CB ASP A 42 11.794 -16.709 8.997 1.00 35.14 C ATOM 603 CG ASP A 42 12.906 -15.674 9.175 1.00 65.30 C ATOM 604 OD1 ASP A 42 12.701 -14.471 8.956 1.00 70.33 O ATOM 605 OD2 ASP A 42 14.040 -16.154 9.561 1.00 42.20 O ATOM 0 H ASP A 42 9.764 -18.164 8.884 1.00 51.13 H new ATOM 0 HA ASP A 42 10.503 -15.948 10.542 1.00 11.31 H new ATOM 0 HB2 ASP A 42 12.083 -17.623 9.515 1.00 35.14 H new ATOM 0 HB3 ASP A 42 11.713 -16.955 7.938 1.00 35.14 H new ATOM 611 N GLU A 43 9.665 -15.481 7.357 1.00 50.32 N ATOM 612 CA GLU A 43 9.187 -14.503 6.394 1.00 44.20 C ATOM 613 C GLU A 43 7.860 -13.902 6.862 1.00 43.24 C ATOM 614 O GLU A 43 7.620 -12.708 6.688 1.00 2.01 O ATOM 615 CB GLU A 43 9.047 -15.125 5.003 1.00 24.45 C ATOM 616 CG GLU A 43 7.660 -15.742 4.816 1.00 32.20 C ATOM 617 CD GLU A 43 7.523 -16.373 3.429 1.00 61.12 C ATOM 618 OE1 GLU A 43 6.585 -16.044 2.688 1.00 73.30 O ATOM 619 OE2 GLU A 43 8.436 -17.233 3.129 1.00 64.34 O ATOM 0 H GLU A 43 9.779 -16.424 6.986 1.00 50.32 H new ATOM 0 HA GLU A 43 9.922 -13.701 6.325 1.00 44.20 H new ATOM 0 HB2 GLU A 43 9.216 -14.364 4.242 1.00 24.45 H new ATOM 0 HB3 GLU A 43 9.811 -15.890 4.864 1.00 24.45 H new ATOM 0 HG2 GLU A 43 7.488 -16.498 5.582 1.00 32.20 H new ATOM 0 HG3 GLU A 43 6.896 -14.976 4.948 1.00 32.20 H new ATOM 627 N VAL A 44 7.033 -14.756 7.446 1.00 64.55 N ATOM 628 CA VAL A 44 5.737 -14.325 7.939 1.00 12.35 C ATOM 629 C VAL A 44 5.912 -13.060 8.782 1.00 3.21 C ATOM 630 O VAL A 44 5.285 -12.037 8.511 1.00 62.01 O ATOM 631 CB VAL A 44 5.063 -15.465 8.706 1.00 54.34 C ATOM 632 CG1 VAL A 44 3.759 -14.994 9.354 1.00 41.03 C ATOM 633 CG2 VAL A 44 4.818 -16.669 7.794 1.00 43.21 C ATOM 0 H VAL A 44 7.236 -15.745 7.589 1.00 64.55 H new ATOM 0 HA VAL A 44 5.077 -14.074 7.109 1.00 12.35 H new ATOM 0 HB VAL A 44 5.738 -15.779 9.502 1.00 54.34 H new ATOM 0 HG11 VAL A 44 3.300 -15.823 9.893 1.00 41.03 H new ATOM 0 HG12 VAL A 44 3.971 -14.182 10.050 1.00 41.03 H new ATOM 0 HG13 VAL A 44 3.076 -14.641 8.582 1.00 41.03 H new ATOM 0 HG21 VAL A 44 4.338 -17.465 8.363 1.00 43.21 H new ATOM 0 HG22 VAL A 44 4.172 -16.374 6.967 1.00 43.21 H new ATOM 0 HG23 VAL A 44 5.769 -17.027 7.401 1.00 43.21 H new ATOM 643 N LYS A 45 6.768 -13.171 9.787 1.00 3.12 N ATOM 644 CA LYS A 45 7.034 -12.049 10.671 1.00 3.22 C ATOM 645 C LYS A 45 7.241 -10.784 9.835 1.00 21.31 C ATOM 646 O LYS A 45 6.866 -9.690 10.254 1.00 23.34 O ATOM 647 CB LYS A 45 8.204 -12.367 11.604 1.00 23.33 C ATOM 648 CG LYS A 45 7.868 -13.543 12.524 1.00 14.43 C ATOM 649 CD LYS A 45 9.140 -14.218 13.039 1.00 63.11 C ATOM 650 CE LYS A 45 8.822 -15.196 14.171 1.00 22.54 C ATOM 651 NZ LYS A 45 8.344 -14.467 15.367 1.00 21.22 N ATOM 0 H LYS A 45 7.286 -14.021 10.009 1.00 3.12 H new ATOM 0 HA LYS A 45 6.178 -11.866 11.321 1.00 3.22 H new ATOM 0 HB2 LYS A 45 9.090 -12.603 11.015 1.00 23.33 H new ATOM 0 HB3 LYS A 45 8.445 -11.489 12.203 1.00 23.33 H new ATOM 0 HG2 LYS A 45 7.272 -13.191 13.366 1.00 14.43 H new ATOM 0 HG3 LYS A 45 7.260 -14.269 11.984 1.00 14.43 H new ATOM 0 HD2 LYS A 45 9.631 -14.748 12.223 1.00 63.11 H new ATOM 0 HD3 LYS A 45 9.840 -13.461 13.393 1.00 63.11 H new ATOM 0 HE2 LYS A 45 8.063 -15.906 13.843 1.00 22.54 H new ATOM 0 HE3 LYS A 45 9.712 -15.773 14.421 1.00 22.54 H new ATOM 0 HZ1 LYS A 45 8.486 -15.056 16.212 1.00 21.22 H new ATOM 0 HZ2 LYS A 45 8.878 -13.580 15.470 1.00 21.22 H new ATOM 0 HZ3 LYS A 45 7.332 -14.251 15.261 1.00 21.22 H new ATOM 664 N LYS A 46 7.837 -10.976 8.668 1.00 61.45 N ATOM 665 CA LYS A 46 8.098 -9.865 7.769 1.00 42.13 C ATOM 666 C LYS A 46 6.774 -9.359 7.193 1.00 44.44 C ATOM 667 O LYS A 46 6.516 -8.156 7.185 1.00 61.02 O ATOM 668 CB LYS A 46 9.119 -10.267 6.703 1.00 44.54 C ATOM 669 CG LYS A 46 10.252 -11.095 7.312 1.00 33.45 C ATOM 670 CD LYS A 46 10.770 -10.452 8.600 1.00 10.02 C ATOM 671 CE LYS A 46 11.525 -9.156 8.300 1.00 42.31 C ATOM 672 NZ LYS A 46 12.447 -9.346 7.158 1.00 42.22 N ATOM 0 H LYS A 46 8.147 -11.885 8.324 1.00 61.45 H new ATOM 0 HA LYS A 46 8.549 -9.034 8.311 1.00 42.13 H new ATOM 0 HB2 LYS A 46 8.625 -10.842 5.920 1.00 44.54 H new ATOM 0 HB3 LYS A 46 9.529 -9.374 6.232 1.00 44.54 H new ATOM 0 HG2 LYS A 46 9.897 -12.104 7.522 1.00 33.45 H new ATOM 0 HG3 LYS A 46 11.067 -11.187 6.594 1.00 33.45 H new ATOM 0 HD2 LYS A 46 9.935 -10.244 9.268 1.00 10.02 H new ATOM 0 HD3 LYS A 46 11.428 -11.149 9.119 1.00 10.02 H new ATOM 0 HE2 LYS A 46 10.816 -8.359 8.074 1.00 42.31 H new ATOM 0 HE3 LYS A 46 12.087 -8.843 9.180 1.00 42.31 H new ATOM 0 HZ1 LYS A 46 13.225 -8.659 7.222 1.00 42.22 H new ATOM 0 HZ2 LYS A 46 12.835 -10.311 7.181 1.00 42.22 H new ATOM 0 HZ3 LYS A 46 11.930 -9.202 6.267 1.00 42.22 H new ATOM 685 N ALA A 47 5.970 -10.302 6.724 1.00 5.21 N ATOM 686 CA ALA A 47 4.680 -9.966 6.147 1.00 33.43 C ATOM 687 C ALA A 47 3.879 -9.134 7.150 1.00 15.03 C ATOM 688 O ALA A 47 3.189 -8.189 6.768 1.00 24.53 O ATOM 689 CB ALA A 47 3.952 -11.250 5.742 1.00 23.13 C ATOM 0 H ALA A 47 6.187 -11.299 6.732 1.00 5.21 H new ATOM 0 HA ALA A 47 4.807 -9.365 5.247 1.00 33.43 H new ATOM 0 HB1 ALA A 47 2.984 -10.998 5.309 1.00 23.13 H new ATOM 0 HB2 ALA A 47 4.549 -11.790 5.007 1.00 23.13 H new ATOM 0 HB3 ALA A 47 3.804 -11.877 6.621 1.00 23.13 H new ATOM 695 N PHE A 48 3.996 -9.515 8.414 1.00 52.40 N ATOM 696 CA PHE A 48 3.291 -8.815 9.475 1.00 60.12 C ATOM 697 C PHE A 48 3.698 -7.341 9.524 1.00 21.02 C ATOM 698 O PHE A 48 2.945 -6.501 10.015 1.00 72.51 O ATOM 699 CB PHE A 48 3.686 -9.486 10.792 1.00 42.50 C ATOM 700 CG PHE A 48 3.005 -8.886 12.024 1.00 4.11 C ATOM 701 CD1 PHE A 48 1.808 -9.374 12.445 1.00 72.44 C ATOM 702 CD2 PHE A 48 3.598 -7.864 12.699 1.00 71.52 C ATOM 703 CE1 PHE A 48 1.176 -8.818 13.588 1.00 40.10 C ATOM 704 CE2 PHE A 48 2.966 -7.308 13.842 1.00 1.13 C ATOM 705 CZ PHE A 48 1.768 -7.796 14.263 1.00 64.43 C ATOM 0 H PHE A 48 4.568 -10.299 8.727 1.00 52.40 H new ATOM 0 HA PHE A 48 2.216 -8.861 9.301 1.00 60.12 H new ATOM 0 HB2 PHE A 48 3.442 -10.547 10.735 1.00 42.50 H new ATOM 0 HB3 PHE A 48 4.767 -9.414 10.915 1.00 42.50 H new ATOM 0 HD1 PHE A 48 1.338 -10.185 11.909 1.00 72.44 H new ATOM 0 HD2 PHE A 48 4.549 -7.476 12.365 1.00 71.52 H new ATOM 0 HE1 PHE A 48 0.225 -9.206 13.922 1.00 40.10 H new ATOM 0 HE2 PHE A 48 3.437 -6.497 14.378 1.00 1.13 H new ATOM 0 HZ PHE A 48 1.287 -7.372 15.132 1.00 64.43 H new ATOM 715 N ALA A 49 4.889 -7.071 9.009 1.00 33.33 N ATOM 716 CA ALA A 49 5.405 -5.713 8.989 1.00 71.34 C ATOM 717 C ALA A 49 4.902 -5.000 7.732 1.00 34.01 C ATOM 718 O ALA A 49 4.887 -3.771 7.675 1.00 31.41 O ATOM 719 CB ALA A 49 6.932 -5.746 9.068 1.00 65.42 C ATOM 0 H ALA A 49 5.511 -7.770 8.603 1.00 33.33 H new ATOM 0 HA ALA A 49 5.046 -5.153 9.852 1.00 71.34 H new ATOM 0 HB1 ALA A 49 7.319 -4.727 9.053 1.00 65.42 H new ATOM 0 HB2 ALA A 49 7.238 -6.237 9.992 1.00 65.42 H new ATOM 0 HB3 ALA A 49 7.329 -6.297 8.216 1.00 65.42 H new ATOM 725 N ILE A 50 4.501 -5.801 6.756 1.00 63.42 N ATOM 726 CA ILE A 50 3.999 -5.262 5.504 1.00 74.13 C ATOM 727 C ILE A 50 2.638 -4.606 5.746 1.00 74.33 C ATOM 728 O ILE A 50 2.400 -3.482 5.308 1.00 53.25 O ATOM 729 CB ILE A 50 3.976 -6.346 4.424 1.00 34.33 C ATOM 730 CG1 ILE A 50 5.327 -7.057 4.332 1.00 4.10 C ATOM 731 CG2 ILE A 50 3.538 -5.769 3.077 1.00 43.15 C ATOM 732 CD1 ILE A 50 6.376 -6.157 3.675 1.00 21.11 C ATOM 0 H ILE A 50 4.514 -6.820 6.807 1.00 63.42 H new ATOM 0 HA ILE A 50 4.666 -4.486 5.129 1.00 74.13 H new ATOM 0 HB ILE A 50 3.237 -7.095 4.708 1.00 34.33 H new ATOM 0 HG12 ILE A 50 5.661 -7.342 5.330 1.00 4.10 H new ATOM 0 HG13 ILE A 50 5.220 -7.977 3.757 1.00 4.10 H new ATOM 0 HG21 ILE A 50 3.530 -6.560 2.327 1.00 43.15 H new ATOM 0 HG22 ILE A 50 2.537 -5.347 3.170 1.00 43.15 H new ATOM 0 HG23 ILE A 50 4.234 -4.987 2.772 1.00 43.15 H new ATOM 0 HD11 ILE A 50 7.327 -6.686 3.622 1.00 21.11 H new ATOM 0 HD12 ILE A 50 6.050 -5.894 2.669 1.00 21.11 H new ATOM 0 HD13 ILE A 50 6.498 -5.249 4.266 1.00 21.11 H new ATOM 744 N ILE A 51 1.780 -5.337 6.443 1.00 70.14 N ATOM 745 CA ILE A 51 0.449 -4.840 6.748 1.00 20.52 C ATOM 746 C ILE A 51 0.553 -3.719 7.784 1.00 21.41 C ATOM 747 O ILE A 51 0.287 -2.558 7.476 1.00 24.44 O ATOM 748 CB ILE A 51 -0.467 -5.989 7.175 1.00 24.54 C ATOM 749 CG1 ILE A 51 -0.367 -7.163 6.198 1.00 4.51 C ATOM 750 CG2 ILE A 51 -1.908 -5.507 7.346 1.00 34.03 C ATOM 751 CD1 ILE A 51 -0.647 -8.490 6.905 1.00 65.30 C ATOM 0 H ILE A 51 1.981 -6.269 6.805 1.00 70.14 H new ATOM 0 HA ILE A 51 -0.011 -4.410 5.858 1.00 20.52 H new ATOM 0 HB ILE A 51 -0.131 -6.350 8.147 1.00 24.54 H new ATOM 0 HG12 ILE A 51 -1.077 -7.024 5.383 1.00 4.51 H new ATOM 0 HG13 ILE A 51 0.628 -7.187 5.753 1.00 4.51 H new ATOM 0 HG21 ILE A 51 -2.538 -6.343 7.650 1.00 34.03 H new ATOM 0 HG22 ILE A 51 -1.944 -4.730 8.110 1.00 34.03 H new ATOM 0 HG23 ILE A 51 -2.271 -5.104 6.401 1.00 34.03 H new ATOM 0 HD11 ILE A 51 -0.570 -9.308 6.188 1.00 65.30 H new ATOM 0 HD12 ILE A 51 0.080 -8.637 7.704 1.00 65.30 H new ATOM 0 HD13 ILE A 51 -1.652 -8.472 7.328 1.00 65.30 H new ATOM 763 N ASP A 52 0.940 -4.106 8.991 1.00 63.13 N ATOM 764 CA ASP A 52 1.083 -3.148 10.074 1.00 52.02 C ATOM 765 C ASP A 52 1.794 -1.898 9.553 1.00 41.44 C ATOM 766 O ASP A 52 3.008 -1.906 9.357 1.00 5.02 O ATOM 767 CB ASP A 52 1.921 -3.728 11.215 1.00 11.50 C ATOM 768 CG ASP A 52 1.170 -4.677 12.151 1.00 2.32 C ATOM 769 OD1 ASP A 52 0.432 -4.239 13.046 1.00 33.31 O ATOM 770 OD2 ASP A 52 1.371 -5.932 11.930 1.00 15.33 O ATOM 0 H ASP A 52 1.159 -5.070 9.243 1.00 63.13 H new ATOM 0 HA ASP A 52 0.087 -2.907 10.445 1.00 52.02 H new ATOM 0 HB2 ASP A 52 2.771 -4.260 10.787 1.00 11.50 H new ATOM 0 HB3 ASP A 52 2.325 -2.905 11.804 1.00 11.50 H new ATOM 776 N GLN A 53 1.007 -0.853 9.342 1.00 3.43 N ATOM 777 CA GLN A 53 1.547 0.403 8.848 1.00 74.34 C ATOM 778 C GLN A 53 1.989 1.287 10.015 1.00 13.31 C ATOM 779 O GLN A 53 2.676 2.281 9.884 1.00 64.41 O ATOM 780 CB GLN A 53 0.528 1.127 7.966 1.00 51.43 C ATOM 781 CG GLN A 53 -0.093 0.171 6.946 1.00 73.21 C ATOM 782 CD GLN A 53 -0.986 0.926 5.959 1.00 70.30 C ATOM 783 OE1 GLN A 53 -0.596 1.245 4.848 1.00 3.51 O ATOM 784 NE2 GLN A 53 -2.203 1.192 6.425 1.00 71.33 N ATOM 0 H GLN A 53 -0.000 -0.850 9.504 1.00 3.43 H new ATOM 0 HA GLN A 53 2.420 0.184 8.234 1.00 74.34 H new ATOM 0 HB2 GLN A 53 -0.255 1.559 8.589 1.00 51.43 H new ATOM 0 HB3 GLN A 53 1.014 1.953 7.447 1.00 51.43 H new ATOM 0 HG2 GLN A 53 0.696 -0.350 6.403 1.00 73.21 H new ATOM 0 HG3 GLN A 53 -0.679 -0.589 7.464 1.00 73.21 H new ATOM 0 HE21 GLN A 53 -2.465 0.896 7.365 1.00 71.33 H new ATOM 0 HE22 GLN A 53 -2.874 1.692 5.842 1.00 71.33 H new ATOM 793 N ASP A 54 1.572 0.900 11.189 1.00 54.22 N ATOM 794 CA ASP A 54 1.940 1.675 12.407 1.00 21.12 C ATOM 795 C ASP A 54 2.962 0.891 13.237 1.00 34.53 C ATOM 796 O ASP A 54 3.686 1.522 14.005 1.00 44.03 O ATOM 797 CB ASP A 54 0.632 1.840 13.182 1.00 41.23 C ATOM 798 CG ASP A 54 -0.098 0.498 13.245 1.00 31.20 C ATOM 799 OD1 ASP A 54 0.513 -0.504 12.909 1.00 0.13 O ATOM 800 OD2 ASP A 54 -1.257 0.492 13.626 1.00 12.25 O ATOM 0 H ASP A 54 0.991 0.079 11.357 1.00 54.22 H new ATOM 0 HA ASP A 54 2.393 2.637 12.167 1.00 21.12 H new ATOM 0 HB2 ASP A 54 0.837 2.202 14.190 1.00 41.23 H new ATOM 0 HB3 ASP A 54 0.002 2.586 12.698 1.00 41.23 H new ATOM 805 N LYS A 55 2.999 -0.425 13.081 1.00 2.42 N ATOM 806 CA LYS A 55 3.935 -1.241 13.835 1.00 63.30 C ATOM 807 C LYS A 55 3.699 -1.031 15.332 1.00 52.52 C ATOM 808 O LYS A 55 4.586 -1.282 16.146 1.00 44.34 O ATOM 809 CB LYS A 55 5.372 -0.956 13.393 1.00 10.41 C ATOM 810 CG LYS A 55 5.424 -0.569 11.914 1.00 51.33 C ATOM 811 CD LYS A 55 5.080 -1.764 11.022 1.00 4.40 C ATOM 812 CE LYS A 55 6.095 -2.894 11.206 1.00 74.32 C ATOM 813 NZ LYS A 55 7.437 -2.344 11.498 1.00 0.13 N ATOM 0 H LYS A 55 2.396 -0.945 12.444 1.00 2.42 H new ATOM 0 HA LYS A 55 3.767 -2.299 13.631 1.00 63.30 H new ATOM 0 HB2 LYS A 55 5.790 -0.151 13.998 1.00 10.41 H new ATOM 0 HB3 LYS A 55 5.990 -1.837 13.564 1.00 10.41 H new ATOM 0 HG2 LYS A 55 4.725 0.245 11.723 1.00 51.33 H new ATOM 0 HG3 LYS A 55 6.419 -0.200 11.666 1.00 51.33 H new ATOM 0 HD2 LYS A 55 4.080 -2.126 11.262 1.00 4.40 H new ATOM 0 HD3 LYS A 55 5.064 -1.451 9.978 1.00 4.40 H new ATOM 0 HE2 LYS A 55 5.778 -3.546 12.020 1.00 74.32 H new ATOM 0 HE3 LYS A 55 6.135 -3.505 10.304 1.00 74.32 H new ATOM 0 HZ1 LYS A 55 8.154 -3.083 11.353 1.00 0.13 H new ATOM 0 HZ2 LYS A 55 7.631 -1.544 10.862 1.00 0.13 H new ATOM 0 HZ3 LYS A 55 7.471 -2.017 12.485 1.00 0.13 H new ATOM 826 N SER A 56 2.497 -0.571 15.650 1.00 64.33 N ATOM 827 CA SER A 56 2.133 -0.324 17.034 1.00 10.14 C ATOM 828 C SER A 56 2.706 -1.423 17.931 1.00 62.42 C ATOM 829 O SER A 56 3.399 -1.136 18.905 1.00 25.24 O ATOM 830 CB SER A 56 0.614 -0.244 17.198 1.00 11.42 C ATOM 831 OG SER A 56 -0.031 0.179 15.999 1.00 23.54 O ATOM 0 H SER A 56 1.763 -0.363 14.972 1.00 64.33 H new ATOM 0 HA SER A 56 2.555 0.636 17.332 1.00 10.14 H new ATOM 0 HB2 SER A 56 0.229 -1.221 17.492 1.00 11.42 H new ATOM 0 HB3 SER A 56 0.372 0.449 18.004 1.00 11.42 H new ATOM 0 HG SER A 56 -1.000 0.216 16.144 1.00 23.54 H new ATOM 837 N GLY A 57 2.395 -2.659 17.569 1.00 24.40 N ATOM 838 CA GLY A 57 2.871 -3.803 18.328 1.00 31.43 C ATOM 839 C GLY A 57 2.002 -5.035 18.065 1.00 24.35 C ATOM 840 O GLY A 57 2.508 -6.155 18.011 1.00 72.41 O ATOM 0 H GLY A 57 1.819 -2.893 16.760 1.00 24.40 H new ATOM 0 HA2 GLY A 57 3.905 -4.018 18.058 1.00 31.43 H new ATOM 0 HA3 GLY A 57 2.862 -3.567 19.392 1.00 31.43 H new ATOM 844 N PHE A 58 0.710 -4.787 17.910 1.00 44.33 N ATOM 845 CA PHE A 58 -0.233 -5.862 17.654 1.00 52.31 C ATOM 846 C PHE A 58 -1.285 -5.435 16.628 1.00 71.42 C ATOM 847 O PHE A 58 -1.865 -4.356 16.739 1.00 25.13 O ATOM 848 CB PHE A 58 -0.929 -6.172 18.981 1.00 45.41 C ATOM 849 CG PHE A 58 0.034 -6.429 20.142 1.00 13.35 C ATOM 850 CD1 PHE A 58 -0.111 -5.746 21.310 1.00 52.45 C ATOM 851 CD2 PHE A 58 1.034 -7.340 20.008 1.00 71.32 C ATOM 852 CE1 PHE A 58 0.782 -5.984 22.387 1.00 32.24 C ATOM 853 CE2 PHE A 58 1.927 -7.579 21.086 1.00 50.12 C ATOM 854 CZ PHE A 58 1.782 -6.896 22.253 1.00 40.32 C ATOM 0 H PHE A 58 0.294 -3.857 17.957 1.00 44.33 H new ATOM 0 HA PHE A 58 0.292 -6.731 17.257 1.00 52.31 H new ATOM 0 HB2 PHE A 58 -1.581 -5.338 19.241 1.00 45.41 H new ATOM 0 HB3 PHE A 58 -1.566 -7.047 18.850 1.00 45.41 H new ATOM 0 HD1 PHE A 58 -0.906 -5.023 21.417 1.00 52.45 H new ATOM 0 HD2 PHE A 58 1.149 -7.882 19.081 1.00 71.32 H new ATOM 0 HE1 PHE A 58 0.667 -5.441 23.313 1.00 32.24 H new ATOM 0 HE2 PHE A 58 2.721 -8.303 20.979 1.00 50.12 H new ATOM 0 HZ PHE A 58 2.461 -7.078 23.073 1.00 40.32 H new ATOM 864 N ILE A 59 -1.500 -6.305 15.652 1.00 61.22 N ATOM 865 CA ILE A 59 -2.472 -6.032 14.607 1.00 61.43 C ATOM 866 C ILE A 59 -3.879 -6.053 15.207 1.00 71.30 C ATOM 867 O ILE A 59 -4.431 -7.121 15.468 1.00 62.33 O ATOM 868 CB ILE A 59 -2.288 -7.002 13.437 1.00 3.43 C ATOM 869 CG1 ILE A 59 -0.983 -6.717 12.690 1.00 72.41 C ATOM 870 CG2 ILE A 59 -3.500 -6.973 12.505 1.00 55.20 C ATOM 871 CD1 ILE A 59 -0.763 -7.732 11.566 1.00 23.34 C ATOM 0 H ILE A 59 -1.018 -7.199 15.563 1.00 61.22 H new ATOM 0 HA ILE A 59 -2.316 -5.036 14.193 1.00 61.43 H new ATOM 0 HB ILE A 59 -2.216 -8.013 13.839 1.00 3.43 H new ATOM 0 HG12 ILE A 59 -1.010 -5.709 12.275 1.00 72.41 H new ATOM 0 HG13 ILE A 59 -0.145 -6.753 13.387 1.00 72.41 H new ATOM 0 HG21 ILE A 59 -3.343 -7.671 11.683 1.00 55.20 H new ATOM 0 HG22 ILE A 59 -4.393 -7.261 13.060 1.00 55.20 H new ATOM 0 HG23 ILE A 59 -3.629 -5.966 12.107 1.00 55.20 H new ATOM 0 HD11 ILE A 59 0.171 -7.508 11.051 1.00 23.34 H new ATOM 0 HD12 ILE A 59 -0.713 -8.736 11.987 1.00 23.34 H new ATOM 0 HD13 ILE A 59 -1.590 -7.676 10.858 1.00 23.34 H new ATOM 883 N GLU A 60 -4.420 -4.861 15.409 1.00 44.42 N ATOM 884 CA GLU A 60 -5.752 -4.729 15.973 1.00 1.55 C ATOM 885 C GLU A 60 -6.809 -5.105 14.933 1.00 20.45 C ATOM 886 O GLU A 60 -6.494 -5.276 13.757 1.00 60.22 O ATOM 887 CB GLU A 60 -5.985 -3.312 16.504 1.00 62.44 C ATOM 888 CG GLU A 60 -5.050 -3.005 17.675 1.00 10.22 C ATOM 889 CD GLU A 60 -3.801 -2.260 17.199 1.00 12.12 C ATOM 890 OE1 GLU A 60 -3.840 -1.585 16.159 1.00 33.44 O ATOM 891 OE2 GLU A 60 -2.763 -2.399 17.952 1.00 31.23 O ATOM 0 H GLU A 60 -3.960 -3.977 15.192 1.00 44.42 H new ATOM 0 HA GLU A 60 -5.838 -5.416 16.815 1.00 1.55 H new ATOM 0 HB2 GLU A 60 -5.822 -2.589 15.705 1.00 62.44 H new ATOM 0 HB3 GLU A 60 -7.022 -3.206 16.824 1.00 62.44 H new ATOM 0 HG2 GLU A 60 -5.576 -2.404 18.417 1.00 10.22 H new ATOM 0 HG3 GLU A 60 -4.759 -3.934 18.166 1.00 10.22 H new ATOM 899 N GLU A 61 -8.041 -5.224 15.405 1.00 33.13 N ATOM 900 CA GLU A 61 -9.147 -5.578 14.531 1.00 44.42 C ATOM 901 C GLU A 61 -9.291 -4.543 13.413 1.00 61.01 C ATOM 902 O GLU A 61 -9.822 -4.847 12.346 1.00 14.20 O ATOM 903 CB GLU A 61 -10.449 -5.715 15.322 1.00 70.33 C ATOM 904 CG GLU A 61 -11.584 -6.214 14.426 1.00 75.42 C ATOM 905 CD GLU A 61 -12.938 -6.067 15.123 1.00 33.22 C ATOM 906 OE1 GLU A 61 -12.988 -5.905 16.352 1.00 55.15 O ATOM 907 OE2 GLU A 61 -13.963 -6.125 14.342 1.00 32.41 O ATOM 0 H GLU A 61 -8.298 -5.082 16.382 1.00 33.13 H new ATOM 0 HA GLU A 61 -8.932 -6.546 14.079 1.00 44.42 H new ATOM 0 HB2 GLU A 61 -10.304 -6.408 16.151 1.00 70.33 H new ATOM 0 HB3 GLU A 61 -10.719 -4.752 15.755 1.00 70.33 H new ATOM 0 HG2 GLU A 61 -11.589 -5.652 13.492 1.00 75.42 H new ATOM 0 HG3 GLU A 61 -11.415 -7.259 14.168 1.00 75.42 H new ATOM 915 N GLU A 62 -8.808 -3.342 13.696 1.00 72.03 N ATOM 916 CA GLU A 62 -8.877 -2.261 12.727 1.00 3.12 C ATOM 917 C GLU A 62 -7.769 -2.412 11.683 1.00 25.33 C ATOM 918 O GLU A 62 -7.831 -1.806 10.615 1.00 65.43 O ATOM 919 CB GLU A 62 -8.795 -0.899 13.419 1.00 15.14 C ATOM 920 CG GLU A 62 -9.887 -0.758 14.482 1.00 1.04 C ATOM 921 CD GLU A 62 -9.715 0.538 15.276 1.00 3.55 C ATOM 922 OE1 GLU A 62 -8.811 0.633 16.120 1.00 43.40 O ATOM 923 OE2 GLU A 62 -10.561 1.469 14.991 1.00 43.44 O ATOM 0 H GLU A 62 -8.368 -3.094 14.582 1.00 72.03 H new ATOM 0 HA GLU A 62 -9.839 -2.317 12.218 1.00 3.12 H new ATOM 0 HB2 GLU A 62 -7.815 -0.780 13.881 1.00 15.14 H new ATOM 0 HB3 GLU A 62 -8.897 -0.105 12.680 1.00 15.14 H new ATOM 0 HG2 GLU A 62 -10.867 -0.769 14.005 1.00 1.04 H new ATOM 0 HG3 GLU A 62 -9.852 -1.611 15.160 1.00 1.04 H new ATOM 931 N GLU A 63 -6.780 -3.224 12.029 1.00 34.33 N ATOM 932 CA GLU A 63 -5.660 -3.463 11.135 1.00 31.03 C ATOM 933 C GLU A 63 -5.884 -4.747 10.335 1.00 72.43 C ATOM 934 O GLU A 63 -5.368 -4.891 9.228 1.00 63.14 O ATOM 935 CB GLU A 63 -4.343 -3.523 11.911 1.00 22.41 C ATOM 936 CG GLU A 63 -3.785 -2.120 12.155 1.00 14.42 C ATOM 937 CD GLU A 63 -2.578 -2.165 13.094 1.00 44.25 C ATOM 938 OE1 GLU A 63 -1.644 -2.935 12.781 1.00 74.35 O ATOM 939 OE2 GLU A 63 -2.615 -1.428 14.102 1.00 1.25 O ATOM 0 H GLU A 63 -6.732 -3.725 12.916 1.00 34.33 H new ATOM 0 HA GLU A 63 -5.594 -2.630 10.436 1.00 31.03 H new ATOM 0 HB2 GLU A 63 -4.502 -4.026 12.865 1.00 22.41 H new ATOM 0 HB3 GLU A 63 -3.616 -4.116 11.355 1.00 22.41 H new ATOM 0 HG2 GLU A 63 -3.495 -1.670 11.206 1.00 14.42 H new ATOM 0 HG3 GLU A 63 -4.561 -1.486 12.584 1.00 14.42 H new ATOM 946 N LEU A 64 -6.655 -5.648 10.926 1.00 60.52 N ATOM 947 CA LEU A 64 -6.954 -6.916 10.281 1.00 22.14 C ATOM 948 C LEU A 64 -7.700 -6.654 8.972 1.00 71.03 C ATOM 949 O LEU A 64 -7.650 -7.468 8.051 1.00 43.12 O ATOM 950 CB LEU A 64 -7.703 -7.842 11.242 1.00 52.23 C ATOM 951 CG LEU A 64 -6.838 -8.804 12.058 1.00 1.12 C ATOM 952 CD1 LEU A 64 -7.700 -9.670 12.979 1.00 40.12 C ATOM 953 CD2 LEU A 64 -5.947 -9.649 11.146 1.00 44.34 C ATOM 0 H LEU A 64 -7.082 -5.525 11.844 1.00 60.52 H new ATOM 0 HA LEU A 64 -6.033 -7.439 10.024 1.00 22.14 H new ATOM 0 HB2 LEU A 64 -8.278 -7.226 11.934 1.00 52.23 H new ATOM 0 HB3 LEU A 64 -8.419 -8.428 10.666 1.00 52.23 H new ATOM 0 HG LEU A 64 -6.179 -8.214 12.695 1.00 1.12 H new ATOM 0 HD11 LEU A 64 -7.060 -10.345 13.548 1.00 40.12 H new ATOM 0 HD12 LEU A 64 -8.254 -9.031 13.666 1.00 40.12 H new ATOM 0 HD13 LEU A 64 -8.400 -10.252 12.380 1.00 40.12 H new ATOM 0 HD21 LEU A 64 -5.343 -10.324 11.752 1.00 44.34 H new ATOM 0 HD22 LEU A 64 -6.570 -10.231 10.466 1.00 44.34 H new ATOM 0 HD23 LEU A 64 -5.293 -8.995 10.569 1.00 44.34 H new ATOM 965 N LYS A 65 -8.375 -5.515 8.930 1.00 15.14 N ATOM 966 CA LYS A 65 -9.131 -5.135 7.749 1.00 73.42 C ATOM 967 C LYS A 65 -8.193 -4.468 6.741 1.00 12.23 C ATOM 968 O LYS A 65 -8.563 -4.261 5.586 1.00 4.25 O ATOM 969 CB LYS A 65 -10.333 -4.271 8.136 1.00 32.52 C ATOM 970 CG LYS A 65 -9.885 -2.884 8.598 1.00 4.52 C ATOM 971 CD LYS A 65 -10.898 -2.275 9.570 1.00 42.02 C ATOM 972 CE LYS A 65 -12.280 -2.167 8.924 1.00 74.14 C ATOM 973 NZ LYS A 65 -12.247 -1.224 7.783 1.00 33.41 N ATOM 0 H LYS A 65 -8.414 -4.842 9.696 1.00 15.14 H new ATOM 0 HA LYS A 65 -9.546 -6.018 7.263 1.00 73.42 H new ATOM 0 HB2 LYS A 65 -11.006 -4.175 7.284 1.00 32.52 H new ATOM 0 HB3 LYS A 65 -10.895 -4.759 8.932 1.00 32.52 H new ATOM 0 HG2 LYS A 65 -8.910 -2.955 9.081 1.00 4.52 H new ATOM 0 HG3 LYS A 65 -9.766 -2.230 7.734 1.00 4.52 H new ATOM 0 HD2 LYS A 65 -10.960 -2.889 10.469 1.00 42.02 H new ATOM 0 HD3 LYS A 65 -10.560 -1.287 9.882 1.00 42.02 H new ATOM 0 HE2 LYS A 65 -12.606 -3.149 8.582 1.00 74.14 H new ATOM 0 HE3 LYS A 65 -13.007 -1.829 9.662 1.00 74.14 H new ATOM 0 HZ1 LYS A 65 -12.947 -0.470 7.935 1.00 33.41 H new ATOM 0 HZ2 LYS A 65 -11.298 -0.805 7.706 1.00 33.41 H new ATOM 0 HZ3 LYS A 65 -12.472 -1.734 6.905 1.00 33.41 H new ATOM 986 N LEU A 66 -6.998 -4.149 7.215 1.00 23.33 N ATOM 987 CA LEU A 66 -6.004 -3.509 6.370 1.00 22.33 C ATOM 988 C LEU A 66 -5.041 -4.569 5.831 1.00 42.21 C ATOM 989 O LEU A 66 -3.931 -4.247 5.409 1.00 11.12 O ATOM 990 CB LEU A 66 -5.309 -2.374 7.126 1.00 73.35 C ATOM 991 CG LEU A 66 -6.204 -1.525 8.031 1.00 61.03 C ATOM 992 CD1 LEU A 66 -5.386 -0.463 8.769 1.00 34.31 C ATOM 993 CD2 LEU A 66 -7.360 -0.910 7.239 1.00 65.34 C ATOM 0 H LEU A 66 -6.695 -4.322 8.174 1.00 23.33 H new ATOM 0 HA LEU A 66 -6.480 -3.042 5.508 1.00 22.33 H new ATOM 0 HB2 LEU A 66 -4.513 -2.803 7.735 1.00 73.35 H new ATOM 0 HB3 LEU A 66 -4.834 -1.716 6.398 1.00 73.35 H new ATOM 0 HG LEU A 66 -6.643 -2.177 8.786 1.00 61.03 H new ATOM 0 HD11 LEU A 66 -6.046 0.127 9.405 1.00 34.31 H new ATOM 0 HD12 LEU A 66 -4.628 -0.949 9.383 1.00 34.31 H new ATOM 0 HD13 LEU A 66 -4.901 0.191 8.044 1.00 34.31 H new ATOM 0 HD21 LEU A 66 -7.980 -0.312 7.906 1.00 65.34 H new ATOM 0 HD22 LEU A 66 -6.962 -0.275 6.447 1.00 65.34 H new ATOM 0 HD23 LEU A 66 -7.962 -1.704 6.798 1.00 65.34 H new ATOM 1005 N PHE A 67 -5.500 -5.811 5.862 1.00 15.01 N ATOM 1006 CA PHE A 67 -4.694 -6.920 5.382 1.00 44.24 C ATOM 1007 C PHE A 67 -4.360 -6.753 3.898 1.00 54.23 C ATOM 1008 O PHE A 67 -3.492 -7.446 3.371 1.00 24.30 O ATOM 1009 CB PHE A 67 -5.525 -8.191 5.565 1.00 13.34 C ATOM 1010 CG PHE A 67 -4.967 -9.412 4.832 1.00 45.42 C ATOM 1011 CD1 PHE A 67 -3.791 -9.967 5.233 1.00 55.14 C ATOM 1012 CD2 PHE A 67 -5.645 -9.941 3.779 1.00 62.52 C ATOM 1013 CE1 PHE A 67 -3.273 -11.100 4.552 1.00 41.23 C ATOM 1014 CE2 PHE A 67 -5.126 -11.074 3.098 1.00 71.52 C ATOM 1015 CZ PHE A 67 -3.951 -11.630 3.499 1.00 51.33 C ATOM 0 H PHE A 67 -6.421 -6.074 6.213 1.00 15.01 H new ATOM 0 HA PHE A 67 -3.756 -6.964 5.936 1.00 44.24 H new ATOM 0 HB2 PHE A 67 -5.592 -8.418 6.629 1.00 13.34 H new ATOM 0 HB3 PHE A 67 -6.540 -8.003 5.215 1.00 13.34 H new ATOM 0 HD1 PHE A 67 -3.252 -9.546 6.069 1.00 55.14 H new ATOM 0 HD2 PHE A 67 -6.578 -9.500 3.461 1.00 62.52 H new ATOM 0 HE1 PHE A 67 -2.340 -11.541 4.870 1.00 41.23 H new ATOM 0 HE2 PHE A 67 -5.664 -11.494 2.261 1.00 71.52 H new ATOM 0 HZ PHE A 67 -3.557 -12.492 2.981 1.00 51.33 H new ATOM 1025 N LEU A 68 -5.069 -5.829 3.265 1.00 4.23 N ATOM 1026 CA LEU A 68 -4.859 -5.562 1.852 1.00 1.14 C ATOM 1027 C LEU A 68 -4.026 -4.288 1.697 1.00 53.24 C ATOM 1028 O LEU A 68 -3.538 -3.990 0.608 1.00 61.54 O ATOM 1029 CB LEU A 68 -6.197 -5.517 1.111 1.00 3.13 C ATOM 1030 CG LEU A 68 -7.082 -6.757 1.250 1.00 15.31 C ATOM 1031 CD1 LEU A 68 -8.452 -6.527 0.608 1.00 43.15 C ATOM 1032 CD2 LEU A 68 -6.385 -7.995 0.685 1.00 65.33 C ATOM 0 H LEU A 68 -5.789 -5.256 3.705 1.00 4.23 H new ATOM 0 HA LEU A 68 -4.293 -6.371 1.391 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -6.758 -4.653 1.467 1.00 3.13 H new ATOM 0 HB3 LEU A 68 -5.998 -5.354 0.052 1.00 3.13 H new ATOM 0 HG LEU A 68 -7.250 -6.939 2.311 1.00 15.31 H new ATOM 0 HD11 LEU A 68 -9.062 -7.423 0.721 1.00 43.15 H new ATOM 0 HD12 LEU A 68 -8.947 -5.688 1.097 1.00 43.15 H new ATOM 0 HD13 LEU A 68 -8.325 -6.306 -0.452 1.00 43.15 H new ATOM 0 HD21 LEU A 68 -7.036 -8.862 0.797 1.00 65.33 H new ATOM 0 HD22 LEU A 68 -6.166 -7.839 -0.371 1.00 65.33 H new ATOM 0 HD23 LEU A 68 -5.455 -8.168 1.226 1.00 65.33 H new ATOM 1044 N GLN A 69 -3.890 -3.569 2.801 1.00 32.34 N ATOM 1045 CA GLN A 69 -3.125 -2.334 2.801 1.00 31.03 C ATOM 1046 C GLN A 69 -1.626 -2.638 2.754 1.00 53.14 C ATOM 1047 O GLN A 69 -0.805 -1.723 2.708 1.00 71.34 O ATOM 1048 CB GLN A 69 -3.472 -1.474 4.018 1.00 23.35 C ATOM 1049 CG GLN A 69 -4.928 -1.008 3.964 1.00 70.32 C ATOM 1050 CD GLN A 69 -5.146 0.215 4.856 1.00 1.41 C ATOM 1051 OE1 GLN A 69 -4.503 0.393 5.878 1.00 51.33 O ATOM 1052 NE2 GLN A 69 -6.086 1.046 4.415 1.00 42.44 N ATOM 0 H GLN A 69 -4.297 -3.818 3.702 1.00 32.34 H new ATOM 0 HA GLN A 69 -3.389 -1.766 1.909 1.00 31.03 H new ATOM 0 HB2 GLN A 69 -3.303 -2.045 4.931 1.00 23.35 H new ATOM 0 HB3 GLN A 69 -2.811 -0.608 4.056 1.00 23.35 H new ATOM 0 HG2 GLN A 69 -5.198 -0.766 2.936 1.00 70.32 H new ATOM 0 HG3 GLN A 69 -5.585 -1.817 4.284 1.00 70.32 H new ATOM 0 HE21 GLN A 69 -6.587 0.837 3.551 1.00 42.44 H new ATOM 0 HE22 GLN A 69 -6.306 1.892 4.940 1.00 42.44 H new ATOM 1061 N ASN A 70 -1.315 -3.926 2.766 1.00 14.32 N ATOM 1062 CA ASN A 70 0.070 -4.362 2.725 1.00 41.51 C ATOM 1063 C ASN A 70 0.557 -4.362 1.274 1.00 31.54 C ATOM 1064 O ASN A 70 1.667 -3.917 0.988 1.00 24.42 O ATOM 1065 CB ASN A 70 0.217 -5.782 3.274 1.00 43.11 C ATOM 1066 CG ASN A 70 -0.911 -6.684 2.769 1.00 25.35 C ATOM 1067 OD1 ASN A 70 -1.745 -6.291 1.971 1.00 63.44 O ATOM 1068 ND2 ASN A 70 -0.889 -7.913 3.279 1.00 54.40 N ATOM 0 H ASN A 70 -1.999 -4.682 2.804 1.00 14.32 H new ATOM 0 HA ASN A 70 0.658 -3.677 3.336 1.00 41.51 H new ATOM 0 HB2 ASN A 70 1.180 -6.194 2.973 1.00 43.11 H new ATOM 0 HB3 ASN A 70 0.208 -5.757 4.364 1.00 43.11 H new ATOM 0 HD21 ASN A 70 -1.600 -8.591 3.005 1.00 54.40 H new ATOM 0 HD22 ASN A 70 -0.161 -8.177 3.943 1.00 54.40 H new ATOM 1075 N PHE A 71 -0.298 -4.868 0.397 1.00 0.52 N ATOM 1076 CA PHE A 71 0.031 -4.932 -1.017 1.00 21.34 C ATOM 1077 C PHE A 71 -0.320 -3.621 -1.722 1.00 3.41 C ATOM 1078 O PHE A 71 -0.274 -3.540 -2.948 1.00 50.34 O ATOM 1079 CB PHE A 71 -0.807 -6.062 -1.619 1.00 43.45 C ATOM 1080 CG PHE A 71 -0.706 -7.385 -0.859 1.00 20.42 C ATOM 1081 CD1 PHE A 71 0.417 -8.145 -0.962 1.00 25.04 C ATOM 1082 CD2 PHE A 71 -1.740 -7.802 -0.080 1.00 21.51 C ATOM 1083 CE1 PHE A 71 0.511 -9.374 -0.256 1.00 11.52 C ATOM 1084 CE2 PHE A 71 -1.646 -9.031 0.626 1.00 75.10 C ATOM 1085 CZ PHE A 71 -0.523 -9.791 0.523 1.00 0.31 C ATOM 0 H PHE A 71 -1.218 -5.237 0.638 1.00 0.52 H new ATOM 0 HA PHE A 71 1.100 -5.105 -1.143 1.00 21.34 H new ATOM 0 HB2 PHE A 71 -1.851 -5.750 -1.648 1.00 43.45 H new ATOM 0 HB3 PHE A 71 -0.494 -6.223 -2.651 1.00 43.45 H new ATOM 0 HD1 PHE A 71 1.238 -7.814 -1.581 1.00 25.04 H new ATOM 0 HD2 PHE A 71 -2.632 -7.199 0.002 1.00 21.51 H new ATOM 0 HE1 PHE A 71 1.403 -9.977 -0.338 1.00 11.52 H new ATOM 0 HE2 PHE A 71 -2.467 -9.362 1.245 1.00 75.10 H new ATOM 0 HZ PHE A 71 -0.452 -10.726 1.060 1.00 0.31 H new ATOM 1095 N LYS A 72 -0.662 -2.626 -0.916 1.00 41.14 N ATOM 1096 CA LYS A 72 -1.020 -1.322 -1.448 1.00 13.00 C ATOM 1097 C LYS A 72 -1.342 -0.375 -0.290 1.00 73.02 C ATOM 1098 O LYS A 72 -1.839 -0.806 0.749 1.00 22.13 O ATOM 1099 CB LYS A 72 -2.152 -1.452 -2.469 1.00 73.30 C ATOM 1100 CG LYS A 72 -1.953 -0.482 -3.635 1.00 71.13 C ATOM 1101 CD LYS A 72 -2.802 0.777 -3.452 1.00 11.52 C ATOM 1102 CE LYS A 72 -3.153 1.404 -4.803 1.00 21.21 C ATOM 1103 NZ LYS A 72 -3.917 2.657 -4.611 1.00 23.23 N ATOM 0 H LYS A 72 -0.699 -2.697 0.101 1.00 41.14 H new ATOM 0 HA LYS A 72 -0.180 -0.888 -1.991 1.00 13.00 H new ATOM 0 HB2 LYS A 72 -2.192 -2.474 -2.845 1.00 73.30 H new ATOM 0 HB3 LYS A 72 -3.108 -1.253 -1.985 1.00 73.30 H new ATOM 0 HG2 LYS A 72 -0.901 -0.208 -3.709 1.00 71.13 H new ATOM 0 HG3 LYS A 72 -2.221 -0.973 -4.571 1.00 71.13 H new ATOM 0 HD2 LYS A 72 -3.717 0.528 -2.914 1.00 11.52 H new ATOM 0 HD3 LYS A 72 -2.260 1.500 -2.842 1.00 11.52 H new ATOM 0 HE2 LYS A 72 -2.241 1.610 -5.363 1.00 21.21 H new ATOM 0 HE3 LYS A 72 -3.739 0.701 -5.395 1.00 21.21 H new ATOM 0 HZ1 LYS A 72 -4.147 3.069 -5.538 1.00 23.23 H new ATOM 0 HZ2 LYS A 72 -4.797 2.452 -4.096 1.00 23.23 H new ATOM 0 HZ3 LYS A 72 -3.345 3.332 -4.064 1.00 23.23 H new ATOM 1116 N ALA A 73 -1.047 0.898 -0.509 1.00 64.20 N ATOM 1117 CA ALA A 73 -1.298 1.909 0.503 1.00 14.42 C ATOM 1118 C ALA A 73 -2.624 2.610 0.199 1.00 51.10 C ATOM 1119 O ALA A 73 -2.799 3.784 0.523 1.00 23.32 O ATOM 1120 CB ALA A 73 -0.121 2.885 0.554 1.00 52.43 C ATOM 0 H ALA A 73 -0.636 1.252 -1.373 1.00 64.20 H new ATOM 0 HA ALA A 73 -1.385 1.452 1.489 1.00 14.42 H new ATOM 0 HB1 ALA A 73 -0.310 3.644 1.314 1.00 52.43 H new ATOM 0 HB2 ALA A 73 0.791 2.342 0.802 1.00 52.43 H new ATOM 0 HB3 ALA A 73 -0.004 3.366 -0.417 1.00 52.43 H new ATOM 1126 N GLY A 74 -3.524 1.861 -0.420 1.00 73.33 N ATOM 1127 CA GLY A 74 -4.829 2.395 -0.772 1.00 1.31 C ATOM 1128 C GLY A 74 -5.823 1.269 -1.063 1.00 64.14 C ATOM 1129 O GLY A 74 -6.769 1.454 -1.827 1.00 32.43 O ATOM 0 H GLY A 74 -3.375 0.888 -0.687 1.00 73.33 H new ATOM 0 HA2 GLY A 74 -5.204 3.014 0.043 1.00 1.31 H new ATOM 0 HA3 GLY A 74 -4.738 3.039 -1.646 1.00 1.31 H new ATOM 1133 N ALA A 75 -5.573 0.127 -0.440 1.00 20.21 N ATOM 1134 CA ALA A 75 -6.434 -1.029 -0.623 1.00 21.31 C ATOM 1135 C ALA A 75 -7.669 -0.886 0.269 1.00 71.15 C ATOM 1136 O ALA A 75 -7.620 -0.220 1.302 1.00 64.53 O ATOM 1137 CB ALA A 75 -5.645 -2.306 -0.325 1.00 42.21 C ATOM 0 H ALA A 75 -4.787 -0.023 0.192 1.00 20.21 H new ATOM 0 HA ALA A 75 -6.778 -1.091 -1.655 1.00 21.31 H new ATOM 0 HB1 ALA A 75 -6.291 -3.173 -0.462 1.00 42.21 H new ATOM 0 HB2 ALA A 75 -4.795 -2.375 -1.004 1.00 42.21 H new ATOM 0 HB3 ALA A 75 -5.286 -2.280 0.704 1.00 42.21 H new ATOM 1143 N ARG A 76 -8.748 -1.522 -0.164 1.00 13.33 N ATOM 1144 CA ARG A 76 -9.994 -1.474 0.582 1.00 13.53 C ATOM 1145 C ARG A 76 -9.781 -1.992 2.006 1.00 51.01 C ATOM 1146 O ARG A 76 -8.661 -2.331 2.386 1.00 53.04 O ATOM 1147 CB ARG A 76 -11.078 -2.310 -0.101 1.00 21.12 C ATOM 1148 CG ARG A 76 -10.702 -3.793 -0.108 1.00 34.42 C ATOM 1149 CD ARG A 76 -11.949 -4.675 -0.004 1.00 43.13 C ATOM 1150 NE ARG A 76 -11.613 -6.070 -0.365 1.00 61.41 N ATOM 1151 CZ ARG A 76 -12.300 -7.150 0.066 1.00 44.21 C ATOM 1152 NH1 ARG A 76 -11.911 -8.351 -0.319 1.00 72.21 N ATOM 1153 NH2 ARG A 76 -13.368 -7.003 0.879 1.00 45.24 N ATOM 0 H ARG A 76 -8.785 -2.073 -1.022 1.00 13.33 H new ATOM 0 HA ARG A 76 -10.320 -0.435 0.615 1.00 13.53 H new ATOM 0 HB2 ARG A 76 -12.028 -2.174 0.417 1.00 21.12 H new ATOM 0 HB3 ARG A 76 -11.220 -1.962 -1.124 1.00 21.12 H new ATOM 0 HG2 ARG A 76 -10.160 -4.030 -1.023 1.00 34.42 H new ATOM 0 HG3 ARG A 76 -10.031 -4.006 0.724 1.00 34.42 H new ATOM 0 HD2 ARG A 76 -12.347 -4.639 1.010 1.00 43.13 H new ATOM 0 HD3 ARG A 76 -12.728 -4.297 -0.666 1.00 43.13 H new ATOM 0 HE ARG A 76 -10.813 -6.226 -0.978 1.00 61.41 H new ATOM 0 HH11 ARG A 76 -11.103 -8.453 -0.933 1.00 72.21 H new ATOM 0 HH12 ARG A 76 -12.419 -9.177 -0.003 1.00 72.21 H new ATOM 0 HH21 ARG A 76 -13.661 -6.071 1.172 1.00 45.24 H new ATOM 0 HH22 ARG A 76 -13.881 -7.824 1.200 1.00 45.24 H new ATOM 1166 N ALA A 77 -10.873 -2.037 2.755 1.00 71.32 N ATOM 1167 CA ALA A 77 -10.820 -2.509 4.128 1.00 3.32 C ATOM 1168 C ALA A 77 -11.874 -3.599 4.330 1.00 12.31 C ATOM 1169 O ALA A 77 -13.072 -3.322 4.296 1.00 73.22 O ATOM 1170 CB ALA A 77 -11.012 -1.327 5.081 1.00 31.54 C ATOM 0 H ALA A 77 -11.800 -1.754 2.437 1.00 71.32 H new ATOM 0 HA ALA A 77 -9.847 -2.949 4.346 1.00 3.32 H new ATOM 0 HB1 ALA A 77 -10.972 -1.680 6.111 1.00 31.54 H new ATOM 0 HB2 ALA A 77 -10.221 -0.596 4.917 1.00 31.54 H new ATOM 0 HB3 ALA A 77 -11.980 -0.862 4.894 1.00 31.54 H new ATOM 1176 N LEU A 78 -11.390 -4.815 4.536 1.00 13.32 N ATOM 1177 CA LEU A 78 -12.276 -5.948 4.744 1.00 52.54 C ATOM 1178 C LEU A 78 -13.434 -5.525 5.650 1.00 1.23 C ATOM 1179 O LEU A 78 -13.232 -4.800 6.623 1.00 31.15 O ATOM 1180 CB LEU A 78 -11.492 -7.152 5.269 1.00 51.15 C ATOM 1181 CG LEU A 78 -10.478 -7.766 4.301 1.00 53.32 C ATOM 1182 CD1 LEU A 78 -10.948 -7.623 2.852 1.00 61.23 C ATOM 1183 CD2 LEU A 78 -9.086 -7.168 4.514 1.00 60.35 C ATOM 0 H LEU A 78 -10.396 -5.041 4.563 1.00 13.32 H new ATOM 0 HA LEU A 78 -12.712 -6.269 3.798 1.00 52.54 H new ATOM 0 HB2 LEU A 78 -10.964 -6.850 6.174 1.00 51.15 H new ATOM 0 HB3 LEU A 78 -12.203 -7.926 5.558 1.00 51.15 H new ATOM 0 HG LEU A 78 -10.406 -8.833 4.512 1.00 53.32 H new ATOM 0 HD11 LEU A 78 -10.210 -8.067 2.184 1.00 61.23 H new ATOM 0 HD12 LEU A 78 -11.903 -8.133 2.727 1.00 61.23 H new ATOM 0 HD13 LEU A 78 -11.066 -6.567 2.610 1.00 61.23 H new ATOM 0 HD21 LEU A 78 -8.384 -7.621 3.814 1.00 60.35 H new ATOM 0 HD22 LEU A 78 -9.123 -6.092 4.345 1.00 60.35 H new ATOM 0 HD23 LEU A 78 -8.758 -7.364 5.535 1.00 60.35 H new ATOM 1195 N SER A 79 -14.621 -5.996 5.299 1.00 53.34 N ATOM 1196 CA SER A 79 -15.811 -5.676 6.069 1.00 53.45 C ATOM 1197 C SER A 79 -15.739 -6.340 7.445 1.00 65.02 C ATOM 1198 O SER A 79 -14.962 -7.272 7.648 1.00 2.10 O ATOM 1199 CB SER A 79 -17.078 -6.116 5.333 1.00 73.22 C ATOM 1200 OG SER A 79 -18.246 -5.494 5.862 1.00 73.34 O ATOM 0 H SER A 79 -14.785 -6.597 4.491 1.00 53.34 H new ATOM 0 HA SER A 79 -15.854 -4.594 6.197 1.00 53.45 H new ATOM 0 HB2 SER A 79 -16.985 -5.873 4.275 1.00 73.22 H new ATOM 0 HB3 SER A 79 -17.181 -7.199 5.403 1.00 73.22 H new ATOM 0 HG SER A 79 -19.033 -5.799 5.364 1.00 73.34 H new ATOM 1206 N ASP A 80 -16.558 -5.834 8.355 1.00 74.54 N ATOM 1207 CA ASP A 80 -16.597 -6.367 9.706 1.00 62.21 C ATOM 1208 C ASP A 80 -16.718 -7.891 9.645 1.00 32.24 C ATOM 1209 O ASP A 80 -16.334 -8.586 10.585 1.00 14.12 O ATOM 1210 CB ASP A 80 -17.803 -5.827 10.477 1.00 61.22 C ATOM 1211 CG ASP A 80 -19.031 -5.513 9.619 1.00 23.43 C ATOM 1212 OD1 ASP A 80 -19.250 -4.362 9.214 1.00 25.04 O ATOM 1213 OD2 ASP A 80 -19.791 -6.524 9.366 1.00 71.14 O ATOM 0 H ASP A 80 -17.200 -5.060 8.183 1.00 74.54 H new ATOM 0 HA ASP A 80 -15.681 -6.066 10.214 1.00 62.21 H new ATOM 0 HB2 ASP A 80 -18.086 -6.556 11.237 1.00 61.22 H new ATOM 0 HB3 ASP A 80 -17.503 -4.920 11.002 1.00 61.22 H new ATOM 1219 N ALA A 81 -17.253 -8.366 8.531 1.00 75.45 N ATOM 1220 CA ALA A 81 -17.430 -9.795 8.335 1.00 32.41 C ATOM 1221 C ALA A 81 -16.105 -10.411 7.881 1.00 74.32 C ATOM 1222 O ALA A 81 -15.532 -11.244 8.581 1.00 63.32 O ATOM 1223 CB ALA A 81 -18.560 -10.038 7.332 1.00 11.33 C ATOM 0 H ALA A 81 -17.570 -7.787 7.754 1.00 75.45 H new ATOM 0 HA ALA A 81 -17.715 -10.278 9.270 1.00 32.41 H new ATOM 0 HB1 ALA A 81 -18.692 -11.110 7.185 1.00 11.33 H new ATOM 0 HB2 ALA A 81 -19.485 -9.607 7.715 1.00 11.33 H new ATOM 0 HB3 ALA A 81 -18.309 -9.570 6.380 1.00 11.33 H new ATOM 1229 N GLU A 82 -15.658 -9.978 6.712 1.00 51.35 N ATOM 1230 CA GLU A 82 -14.412 -10.476 6.156 1.00 64.14 C ATOM 1231 C GLU A 82 -13.284 -10.346 7.181 1.00 24.41 C ATOM 1232 O GLU A 82 -12.280 -11.053 7.099 1.00 75.54 O ATOM 1233 CB GLU A 82 -14.059 -9.746 4.858 1.00 73.20 C ATOM 1234 CG GLU A 82 -15.106 -10.016 3.775 1.00 33.14 C ATOM 1235 CD GLU A 82 -16.223 -8.971 3.820 1.00 34.55 C ATOM 1236 OE1 GLU A 82 -17.345 -9.282 4.248 1.00 54.34 O ATOM 1237 OE2 GLU A 82 -15.892 -7.800 3.392 1.00 33.45 O ATOM 0 H GLU A 82 -16.137 -9.287 6.134 1.00 51.35 H new ATOM 0 HA GLU A 82 -14.541 -11.532 5.917 1.00 64.14 H new ATOM 0 HB2 GLU A 82 -13.993 -8.674 5.046 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -13.078 -10.070 4.510 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -14.631 -10.004 2.794 1.00 33.14 H new ATOM 0 HG3 GLU A 82 -15.528 -11.011 3.913 1.00 33.14 H new ATOM 1245 N THR A 83 -13.486 -9.438 8.124 1.00 2.01 N ATOM 1246 CA THR A 83 -12.498 -9.207 9.165 1.00 52.45 C ATOM 1247 C THR A 83 -12.802 -10.070 10.390 1.00 34.41 C ATOM 1248 O THR A 83 -11.909 -10.370 11.180 1.00 4.02 O ATOM 1249 CB THR A 83 -12.474 -7.707 9.469 1.00 72.34 C ATOM 1250 OG1 THR A 83 -12.186 -7.103 8.211 1.00 41.41 O ATOM 1251 CG2 THR A 83 -11.292 -7.308 10.354 1.00 63.23 C ATOM 0 H THR A 83 -14.319 -8.853 8.189 1.00 2.01 H new ATOM 0 HA THR A 83 -11.502 -9.503 8.837 1.00 52.45 H new ATOM 0 HB THR A 83 -13.405 -7.420 9.957 1.00 72.34 H new ATOM 0 HG1 THR A 83 -13.013 -7.017 7.692 1.00 41.41 H new ATOM 0 HG21 THR A 83 -11.322 -6.234 10.539 1.00 63.23 H new ATOM 0 HG22 THR A 83 -11.351 -7.842 11.303 1.00 63.23 H new ATOM 0 HG23 THR A 83 -10.359 -7.563 9.852 1.00 63.23 H new ATOM 1259 N LYS A 84 -14.067 -10.446 10.510 1.00 32.30 N ATOM 1260 CA LYS A 84 -14.501 -11.270 11.626 1.00 5.21 C ATOM 1261 C LYS A 84 -13.887 -12.665 11.493 1.00 22.03 C ATOM 1262 O LYS A 84 -13.172 -13.120 12.385 1.00 35.31 O ATOM 1263 CB LYS A 84 -16.027 -11.276 11.726 1.00 72.41 C ATOM 1264 CG LYS A 84 -16.518 -10.192 12.687 1.00 35.35 C ATOM 1265 CD LYS A 84 -17.938 -9.746 12.332 1.00 72.51 C ATOM 1266 CE LYS A 84 -18.979 -10.641 13.008 1.00 53.11 C ATOM 1267 NZ LYS A 84 -20.318 -10.416 12.418 1.00 42.51 N ATOM 0 H LYS A 84 -14.806 -10.195 9.853 1.00 32.30 H new ATOM 0 HA LYS A 84 -14.145 -10.854 12.568 1.00 5.21 H new ATOM 0 HB2 LYS A 84 -16.460 -11.115 10.739 1.00 72.41 H new ATOM 0 HB3 LYS A 84 -16.369 -12.253 12.069 1.00 72.41 H new ATOM 0 HG2 LYS A 84 -16.497 -10.570 13.709 1.00 35.35 H new ATOM 0 HG3 LYS A 84 -15.844 -9.336 12.650 1.00 35.35 H new ATOM 0 HD2 LYS A 84 -18.086 -8.712 12.642 1.00 72.51 H new ATOM 0 HD3 LYS A 84 -18.073 -9.777 11.251 1.00 72.51 H new ATOM 0 HE2 LYS A 84 -18.696 -11.688 12.894 1.00 53.11 H new ATOM 0 HE3 LYS A 84 -19.007 -10.433 14.078 1.00 53.11 H new ATOM 0 HZ1 LYS A 84 -21.012 -11.031 12.888 1.00 42.51 H new ATOM 0 HZ2 LYS A 84 -20.592 -9.421 12.549 1.00 42.51 H new ATOM 0 HZ3 LYS A 84 -20.291 -10.637 11.402 1.00 42.51 H new ATOM 1280 N ALA A 85 -14.188 -13.305 10.373 1.00 40.21 N ATOM 1281 CA ALA A 85 -13.675 -14.639 10.112 1.00 41.02 C ATOM 1282 C ALA A 85 -12.145 -14.599 10.099 1.00 54.01 C ATOM 1283 O ALA A 85 -11.493 -15.638 10.191 1.00 0.40 O ATOM 1284 CB ALA A 85 -14.256 -15.161 8.796 1.00 24.01 C ATOM 0 H ALA A 85 -14.781 -12.924 9.636 1.00 40.21 H new ATOM 0 HA ALA A 85 -13.980 -15.328 10.899 1.00 41.02 H new ATOM 0 HB1 ALA A 85 -13.871 -16.162 8.600 1.00 24.01 H new ATOM 0 HB2 ALA A 85 -15.343 -15.198 8.867 1.00 24.01 H new ATOM 0 HB3 ALA A 85 -13.968 -14.496 7.982 1.00 24.01 H new ATOM 1290 N PHE A 86 -11.618 -13.389 9.984 1.00 61.11 N ATOM 1291 CA PHE A 86 -10.177 -13.200 9.958 1.00 74.12 C ATOM 1292 C PHE A 86 -9.615 -13.076 11.375 1.00 1.43 C ATOM 1293 O PHE A 86 -8.531 -13.581 11.663 1.00 10.44 O ATOM 1294 CB PHE A 86 -9.911 -11.898 9.200 1.00 61.11 C ATOM 1295 CG PHE A 86 -8.563 -11.864 8.476 1.00 32.12 C ATOM 1296 CD1 PHE A 86 -7.614 -12.796 8.762 1.00 53.42 C ATOM 1297 CD2 PHE A 86 -8.314 -10.902 7.547 1.00 32.35 C ATOM 1298 CE1 PHE A 86 -6.364 -12.764 8.090 1.00 23.02 C ATOM 1299 CE2 PHE A 86 -7.063 -10.871 6.876 1.00 54.31 C ATOM 1300 CZ PHE A 86 -6.115 -11.802 7.161 1.00 25.34 C ATOM 0 H PHE A 86 -12.162 -12.530 9.908 1.00 61.11 H new ATOM 0 HA PHE A 86 -9.698 -14.054 9.480 1.00 74.12 H new ATOM 0 HB2 PHE A 86 -10.707 -11.744 8.472 1.00 61.11 H new ATOM 0 HB3 PHE A 86 -9.956 -11.065 9.902 1.00 61.11 H new ATOM 0 HD1 PHE A 86 -7.812 -13.560 9.500 1.00 53.42 H new ATOM 0 HD2 PHE A 86 -9.067 -10.162 7.320 1.00 32.35 H new ATOM 0 HE1 PHE A 86 -5.610 -13.504 8.316 1.00 23.02 H new ATOM 0 HE2 PHE A 86 -6.865 -10.107 6.139 1.00 54.31 H new ATOM 0 HZ PHE A 86 -5.164 -11.778 6.650 1.00 25.34 H new ATOM 1310 N LEU A 87 -10.377 -12.400 12.223 1.00 72.32 N ATOM 1311 CA LEU A 87 -9.968 -12.203 13.603 1.00 34.02 C ATOM 1312 C LEU A 87 -9.937 -13.555 14.319 1.00 3.33 C ATOM 1313 O LEU A 87 -8.874 -14.021 14.727 1.00 43.44 O ATOM 1314 CB LEU A 87 -10.865 -11.167 14.285 1.00 44.15 C ATOM 1315 CG LEU A 87 -10.512 -10.824 15.733 1.00 31.45 C ATOM 1316 CD1 LEU A 87 -9.133 -10.168 15.822 1.00 51.02 C ATOM 1317 CD2 LEU A 87 -11.601 -9.960 16.373 1.00 45.22 C ATOM 0 H LEU A 87 -11.275 -11.982 11.981 1.00 72.32 H new ATOM 0 HA LEU A 87 -8.958 -11.795 13.646 1.00 34.02 H new ATOM 0 HB2 LEU A 87 -10.837 -10.249 13.698 1.00 44.15 H new ATOM 0 HB3 LEU A 87 -11.892 -11.531 14.259 1.00 44.15 H new ATOM 0 HG LEU A 87 -10.463 -11.753 16.301 1.00 31.45 H new ATOM 0 HD11 LEU A 87 -8.908 -9.935 16.863 1.00 51.02 H new ATOM 0 HD12 LEU A 87 -8.379 -10.852 15.432 1.00 51.02 H new ATOM 0 HD13 LEU A 87 -9.128 -9.250 15.235 1.00 51.02 H new ATOM 0 HD21 LEU A 87 -11.325 -9.730 17.402 1.00 45.22 H new ATOM 0 HD22 LEU A 87 -11.707 -9.033 15.810 1.00 45.22 H new ATOM 0 HD23 LEU A 87 -12.547 -10.501 16.363 1.00 45.22 H new ATOM 1329 N LYS A 88 -11.115 -14.146 14.451 1.00 62.42 N ATOM 1330 CA LYS A 88 -11.235 -15.435 15.111 1.00 75.33 C ATOM 1331 C LYS A 88 -10.328 -16.449 14.410 1.00 0.24 C ATOM 1332 O LYS A 88 -9.989 -17.483 14.983 1.00 61.30 O ATOM 1333 CB LYS A 88 -12.702 -15.867 15.179 1.00 23.11 C ATOM 1334 CG LYS A 88 -13.357 -15.379 16.472 1.00 13.54 C ATOM 1335 CD LYS A 88 -14.635 -16.165 16.770 1.00 33.34 C ATOM 1336 CE LYS A 88 -15.803 -15.656 15.923 1.00 63.25 C ATOM 1337 NZ LYS A 88 -16.196 -14.294 16.347 1.00 33.10 N ATOM 0 H LYS A 88 -11.995 -13.756 14.112 1.00 62.42 H new ATOM 0 HA LYS A 88 -10.898 -15.366 16.145 1.00 75.33 H new ATOM 0 HB2 LYS A 88 -13.242 -15.469 14.320 1.00 23.11 H new ATOM 0 HB3 LYS A 88 -12.768 -16.953 15.121 1.00 23.11 H new ATOM 0 HG2 LYS A 88 -12.658 -15.487 17.301 1.00 13.54 H new ATOM 0 HG3 LYS A 88 -13.590 -14.318 16.388 1.00 13.54 H new ATOM 0 HD2 LYS A 88 -14.470 -17.224 16.569 1.00 33.34 H new ATOM 0 HD3 LYS A 88 -14.882 -16.076 17.828 1.00 33.34 H new ATOM 0 HE2 LYS A 88 -15.520 -15.648 14.870 1.00 63.25 H new ATOM 0 HE3 LYS A 88 -16.652 -16.333 16.020 1.00 63.25 H new ATOM 0 HZ1 LYS A 88 -17.182 -14.114 16.068 1.00 33.10 H new ATOM 0 HZ2 LYS A 88 -16.109 -14.213 17.380 1.00 33.10 H new ATOM 0 HZ3 LYS A 88 -15.574 -13.596 15.892 1.00 33.10 H new ATOM 1350 N ALA A 89 -9.961 -16.116 13.182 1.00 65.13 N ATOM 1351 CA ALA A 89 -9.099 -16.984 12.397 1.00 21.33 C ATOM 1352 C ALA A 89 -7.732 -17.089 13.077 1.00 13.33 C ATOM 1353 O ALA A 89 -7.268 -18.187 13.380 1.00 43.24 O ATOM 1354 CB ALA A 89 -8.999 -16.448 10.968 1.00 75.53 C ATOM 0 H ALA A 89 -10.245 -15.257 12.711 1.00 65.13 H new ATOM 0 HA ALA A 89 -9.517 -17.989 12.340 1.00 21.33 H new ATOM 0 HB1 ALA A 89 -8.353 -17.099 10.380 1.00 75.53 H new ATOM 0 HB2 ALA A 89 -9.992 -16.421 10.519 1.00 75.53 H new ATOM 0 HB3 ALA A 89 -8.581 -15.441 10.985 1.00 75.53 H new ATOM 1360 N GLY A 90 -7.127 -15.931 13.298 1.00 62.10 N ATOM 1361 CA GLY A 90 -5.823 -15.878 13.937 1.00 63.54 C ATOM 1362 C GLY A 90 -5.960 -15.673 15.447 1.00 45.14 C ATOM 1363 O GLY A 90 -5.518 -16.509 16.233 1.00 24.01 O ATOM 0 H GLY A 90 -7.516 -15.022 13.046 1.00 62.10 H new ATOM 0 HA2 GLY A 90 -5.280 -16.802 13.740 1.00 63.54 H new ATOM 0 HA3 GLY A 90 -5.237 -15.066 13.508 1.00 63.54 H new ATOM 1367 N ASP A 91 -6.573 -14.555 15.806 1.00 35.21 N ATOM 1368 CA ASP A 91 -6.774 -14.229 17.208 1.00 71.22 C ATOM 1369 C ASP A 91 -7.275 -15.470 17.949 1.00 21.41 C ATOM 1370 O ASP A 91 -8.307 -16.036 17.593 1.00 74.12 O ATOM 1371 CB ASP A 91 -7.821 -13.126 17.372 1.00 0.33 C ATOM 1372 CG ASP A 91 -7.595 -12.193 18.564 1.00 53.55 C ATOM 1373 OD1 ASP A 91 -7.416 -12.645 19.704 1.00 10.21 O ATOM 1374 OD2 ASP A 91 -7.609 -10.934 18.280 1.00 25.03 O ATOM 0 H ASP A 91 -6.937 -13.863 15.151 1.00 35.21 H new ATOM 0 HA ASP A 91 -5.822 -13.886 17.614 1.00 71.22 H new ATOM 0 HB2 ASP A 91 -7.843 -12.528 16.461 1.00 0.33 H new ATOM 0 HB3 ASP A 91 -8.802 -13.589 17.473 1.00 0.33 H new ATOM 1380 N SER A 92 -6.520 -15.857 18.967 1.00 60.42 N ATOM 1381 CA SER A 92 -6.874 -17.021 19.761 1.00 33.24 C ATOM 1382 C SER A 92 -7.874 -16.627 20.850 1.00 14.20 C ATOM 1383 O SER A 92 -8.949 -17.173 21.007 1.00 42.53 O ATOM 1384 CB SER A 92 -5.633 -17.660 20.387 1.00 2.52 C ATOM 1385 OG SER A 92 -4.608 -16.701 20.637 1.00 31.10 O ATOM 0 H SER A 92 -5.665 -15.385 19.260 1.00 60.42 H new ATOM 0 HA SER A 92 -7.335 -17.757 19.102 1.00 33.24 H new ATOM 0 HB2 SER A 92 -5.909 -18.148 21.322 1.00 2.52 H new ATOM 0 HB3 SER A 92 -5.250 -18.435 19.723 1.00 2.52 H new ATOM 0 HG SER A 92 -4.181 -16.451 19.791 1.00 31.10 H new ATOM 1391 N ASP A 93 -7.493 -15.644 21.619 1.00 74.23 N ATOM 1392 CA ASP A 93 -8.382 -15.162 22.714 1.00 61.35 C ATOM 1393 C ASP A 93 -9.337 -14.090 22.179 1.00 2.21 C ATOM 1394 O ASP A 93 -10.036 -13.485 22.991 1.00 70.52 O ATOM 1395 CB ASP A 93 -7.436 -14.567 23.758 1.00 73.34 C ATOM 1396 CG ASP A 93 -6.680 -13.386 23.149 1.00 51.44 C ATOM 1397 OD1 ASP A 93 -5.462 -13.385 23.222 1.00 22.12 O ATOM 1398 OD2 ASP A 93 -7.330 -12.499 22.620 1.00 55.13 O ATOM 0 H ASP A 93 -6.603 -15.153 21.536 1.00 74.23 H new ATOM 0 HA ASP A 93 -8.998 -15.959 23.132 1.00 61.35 H new ATOM 0 HB2 ASP A 93 -8.001 -14.239 24.631 1.00 73.34 H new ATOM 0 HB3 ASP A 93 -6.732 -15.325 24.100 1.00 73.34 H new ATOM 1403 N GLY A 94 -9.348 -13.875 20.872 1.00 52.52 N ATOM 1404 CA GLY A 94 -10.221 -12.871 20.286 1.00 31.41 C ATOM 1405 C GLY A 94 -10.320 -11.638 21.186 1.00 41.22 C ATOM 1406 O GLY A 94 -11.418 -11.188 21.510 1.00 42.31 O ATOM 0 H GLY A 94 -8.767 -14.378 20.202 1.00 52.52 H new ATOM 0 HA2 GLY A 94 -9.841 -12.581 19.306 1.00 31.41 H new ATOM 0 HA3 GLY A 94 -11.214 -13.293 20.131 1.00 31.41 H new ATOM 1410 N ASP A 95 -9.158 -11.126 21.564 1.00 43.12 N ATOM 1411 CA ASP A 95 -9.099 -9.953 22.420 1.00 74.23 C ATOM 1412 C ASP A 95 -9.295 -8.696 21.569 1.00 34.45 C ATOM 1413 O ASP A 95 -9.698 -7.653 22.081 1.00 2.24 O ATOM 1414 CB ASP A 95 -7.741 -9.846 23.115 1.00 31.15 C ATOM 1415 CG ASP A 95 -6.529 -10.036 22.201 1.00 53.01 C ATOM 1416 OD1 ASP A 95 -6.619 -10.684 21.148 1.00 74.42 O ATOM 1417 OD2 ASP A 95 -5.442 -9.478 22.614 1.00 51.44 O ATOM 0 H ASP A 95 -8.249 -11.502 21.293 1.00 43.12 H new ATOM 0 HA ASP A 95 -9.883 -10.045 23.172 1.00 74.23 H new ATOM 0 HB2 ASP A 95 -7.669 -8.867 23.590 1.00 31.15 H new ATOM 0 HB3 ASP A 95 -7.697 -10.590 23.910 1.00 31.15 H new ATOM 1423 N GLY A 96 -9.002 -8.838 20.285 1.00 1.22 N ATOM 1424 CA GLY A 96 -9.141 -7.727 19.359 1.00 1.21 C ATOM 1425 C GLY A 96 -7.802 -7.395 18.696 1.00 35.00 C ATOM 1426 O GLY A 96 -7.714 -6.460 17.902 1.00 40.11 O ATOM 0 H GLY A 96 -8.669 -9.705 19.864 1.00 1.22 H new ATOM 0 HA2 GLY A 96 -9.877 -7.976 18.595 1.00 1.21 H new ATOM 0 HA3 GLY A 96 -9.515 -6.851 19.889 1.00 1.21 H new ATOM 1430 N LYS A 97 -6.794 -8.180 19.047 1.00 52.34 N ATOM 1431 CA LYS A 97 -5.464 -7.981 18.495 1.00 35.04 C ATOM 1432 C LYS A 97 -4.920 -9.320 17.992 1.00 15.42 C ATOM 1433 O LYS A 97 -5.286 -10.375 18.506 1.00 35.35 O ATOM 1434 CB LYS A 97 -4.558 -7.294 19.518 1.00 24.15 C ATOM 1435 CG LYS A 97 -5.337 -6.263 20.337 1.00 10.10 C ATOM 1436 CD LYS A 97 -4.472 -5.688 21.461 1.00 54.34 C ATOM 1437 CE LYS A 97 -4.334 -6.686 22.612 1.00 63.24 C ATOM 1438 NZ LYS A 97 -5.522 -6.630 23.492 1.00 2.14 N ATOM 0 H LYS A 97 -6.871 -8.955 19.706 1.00 52.34 H new ATOM 0 HA LYS A 97 -5.503 -7.310 17.637 1.00 35.04 H new ATOM 0 HB2 LYS A 97 -4.125 -8.040 20.184 1.00 24.15 H new ATOM 0 HB3 LYS A 97 -3.730 -6.805 19.005 1.00 24.15 H new ATOM 0 HG2 LYS A 97 -5.676 -5.457 19.686 1.00 10.10 H new ATOM 0 HG3 LYS A 97 -6.228 -6.727 20.760 1.00 10.10 H new ATOM 0 HD2 LYS A 97 -3.485 -5.437 21.073 1.00 54.34 H new ATOM 0 HD3 LYS A 97 -4.915 -4.763 21.829 1.00 54.34 H new ATOM 0 HE2 LYS A 97 -4.216 -7.694 22.215 1.00 63.24 H new ATOM 0 HE3 LYS A 97 -3.436 -6.463 23.189 1.00 63.24 H new ATOM 0 HZ1 LYS A 97 -5.244 -6.271 24.428 1.00 2.14 H new ATOM 0 HZ2 LYS A 97 -6.233 -5.996 23.075 1.00 2.14 H new ATOM 0 HZ3 LYS A 97 -5.925 -7.584 23.593 1.00 2.14 H new ATOM 1451 N ILE A 98 -4.055 -9.232 16.993 1.00 72.14 N ATOM 1452 CA ILE A 98 -3.457 -10.423 16.414 1.00 31.31 C ATOM 1453 C ILE A 98 -1.940 -10.242 16.340 1.00 23.31 C ATOM 1454 O ILE A 98 -1.439 -9.515 15.484 1.00 2.20 O ATOM 1455 CB ILE A 98 -4.104 -10.747 15.066 1.00 33.21 C ATOM 1456 CG1 ILE A 98 -5.443 -11.463 15.258 1.00 1.15 C ATOM 1457 CG2 ILE A 98 -3.149 -11.547 14.177 1.00 13.34 C ATOM 1458 CD1 ILE A 98 -5.890 -12.146 13.965 1.00 72.14 C ATOM 0 H ILE A 98 -3.754 -8.354 16.569 1.00 72.14 H new ATOM 0 HA ILE A 98 -3.645 -11.290 17.048 1.00 31.31 H new ATOM 0 HB ILE A 98 -4.311 -9.808 14.553 1.00 33.21 H new ATOM 0 HG12 ILE A 98 -5.353 -12.204 16.052 1.00 1.15 H new ATOM 0 HG13 ILE A 98 -6.200 -10.746 15.575 1.00 1.15 H new ATOM 0 HG21 ILE A 98 -3.634 -11.764 13.225 1.00 13.34 H new ATOM 0 HG22 ILE A 98 -2.244 -10.966 13.999 1.00 13.34 H new ATOM 0 HG23 ILE A 98 -2.888 -12.482 14.673 1.00 13.34 H new ATOM 0 HD11 ILE A 98 -6.844 -12.647 14.129 1.00 72.14 H new ATOM 0 HD12 ILE A 98 -6.003 -11.399 13.179 1.00 72.14 H new ATOM 0 HD13 ILE A 98 -5.142 -12.879 13.664 1.00 72.14 H new ATOM 1470 N GLY A 99 -1.250 -10.917 17.249 1.00 53.43 N ATOM 1471 CA GLY A 99 0.200 -10.839 17.297 1.00 32.32 C ATOM 1472 C GLY A 99 0.827 -11.552 16.097 1.00 3.51 C ATOM 1473 O GLY A 99 0.142 -11.850 15.120 1.00 22.22 O ATOM 0 H GLY A 99 -1.669 -11.520 17.957 1.00 53.43 H new ATOM 0 HA2 GLY A 99 0.512 -9.795 17.308 1.00 32.32 H new ATOM 0 HA3 GLY A 99 0.562 -11.289 18.222 1.00 32.32 H new ATOM 1477 N ILE A 100 2.123 -11.803 16.210 1.00 22.01 N ATOM 1478 CA ILE A 100 2.851 -12.475 15.147 1.00 52.44 C ATOM 1479 C ILE A 100 2.674 -13.988 15.290 1.00 5.45 C ATOM 1480 O ILE A 100 2.296 -14.666 14.337 1.00 52.54 O ATOM 1481 CB ILE A 100 4.313 -12.025 15.131 1.00 50.43 C ATOM 1482 CG1 ILE A 100 4.884 -12.065 13.712 1.00 73.13 C ATOM 1483 CG2 ILE A 100 5.151 -12.849 16.109 1.00 22.54 C ATOM 1484 CD1 ILE A 100 4.846 -13.486 13.146 1.00 25.21 C ATOM 0 H ILE A 100 2.688 -11.553 17.022 1.00 22.01 H new ATOM 0 HA ILE A 100 2.446 -12.198 14.174 1.00 52.44 H new ATOM 0 HB ILE A 100 4.355 -10.988 15.466 1.00 50.43 H new ATOM 0 HG12 ILE A 100 4.313 -11.397 13.067 1.00 73.13 H new ATOM 0 HG13 ILE A 100 5.911 -11.700 13.719 1.00 73.13 H new ATOM 0 HG21 ILE A 100 6.186 -12.509 16.078 1.00 22.54 H new ATOM 0 HG22 ILE A 100 4.759 -12.725 17.118 1.00 22.54 H new ATOM 0 HG23 ILE A 100 5.107 -13.902 15.829 1.00 22.54 H new ATOM 0 HD11 ILE A 100 5.257 -13.487 12.137 1.00 25.21 H new ATOM 0 HD12 ILE A 100 5.438 -14.146 13.780 1.00 25.21 H new ATOM 0 HD13 ILE A 100 3.815 -13.839 13.118 1.00 25.21 H new ATOM 1496 N ASP A 101 2.958 -14.473 16.490 1.00 15.45 N ATOM 1497 CA ASP A 101 2.835 -15.893 16.772 1.00 40.04 C ATOM 1498 C ASP A 101 1.458 -16.382 16.316 1.00 4.45 C ATOM 1499 O ASP A 101 1.299 -17.545 15.949 1.00 12.40 O ATOM 1500 CB ASP A 101 2.964 -16.171 18.271 1.00 54.15 C ATOM 1501 CG ASP A 101 2.518 -15.025 19.181 1.00 10.02 C ATOM 1502 OD1 ASP A 101 1.331 -14.902 19.519 1.00 62.11 O ATOM 1503 OD2 ASP A 101 3.460 -14.226 19.552 1.00 1.33 O ATOM 0 H ASP A 101 3.273 -13.907 17.278 1.00 15.45 H new ATOM 0 HA ASP A 101 3.632 -16.412 16.240 1.00 40.04 H new ATOM 0 HB2 ASP A 101 2.377 -17.057 18.513 1.00 54.15 H new ATOM 0 HB3 ASP A 101 4.004 -16.408 18.493 1.00 54.15 H new ATOM 1509 N GLU A 102 0.499 -15.469 16.356 1.00 40.31 N ATOM 1510 CA GLU A 102 -0.859 -15.792 15.952 1.00 22.12 C ATOM 1511 C GLU A 102 -1.022 -15.606 14.442 1.00 31.53 C ATOM 1512 O GLU A 102 -1.641 -16.434 13.775 1.00 41.01 O ATOM 1513 CB GLU A 102 -1.876 -14.947 16.722 1.00 43.34 C ATOM 1514 CG GLU A 102 -2.203 -15.580 18.075 1.00 31.23 C ATOM 1515 CD GLU A 102 -2.567 -14.511 19.107 1.00 3.24 C ATOM 1516 OE1 GLU A 102 -2.321 -13.323 18.805 1.00 61.22 O ATOM 1517 OE2 GLU A 102 -3.082 -14.905 20.176 1.00 74.23 O ATOM 0 H GLU A 102 0.635 -14.506 16.662 1.00 40.31 H new ATOM 0 HA GLU A 102 -1.050 -16.838 16.192 1.00 22.12 H new ATOM 0 HB2 GLU A 102 -1.480 -13.943 16.873 1.00 43.34 H new ATOM 0 HB3 GLU A 102 -2.788 -14.845 16.134 1.00 43.34 H new ATOM 0 HG2 GLU A 102 -3.032 -16.279 17.963 1.00 31.23 H new ATOM 0 HG3 GLU A 102 -1.347 -16.155 18.428 1.00 31.23 H new ATOM 1524 N PHE A 103 -0.456 -14.515 13.948 1.00 73.32 N ATOM 1525 CA PHE A 103 -0.531 -14.211 12.529 1.00 14.40 C ATOM 1526 C PHE A 103 0.100 -15.327 11.694 1.00 10.33 C ATOM 1527 O PHE A 103 -0.335 -15.591 10.575 1.00 72.43 O ATOM 1528 CB PHE A 103 0.255 -12.917 12.307 1.00 12.02 C ATOM 1529 CG PHE A 103 0.536 -12.604 10.836 1.00 33.01 C ATOM 1530 CD1 PHE A 103 1.816 -12.586 10.377 1.00 12.41 C ATOM 1531 CD2 PHE A 103 -0.495 -12.344 9.987 1.00 22.14 C ATOM 1532 CE1 PHE A 103 2.076 -12.295 9.012 1.00 64.11 C ATOM 1533 CE2 PHE A 103 -0.234 -12.054 8.622 1.00 11.41 C ATOM 1534 CZ PHE A 103 1.046 -12.035 8.163 1.00 20.22 C ATOM 0 H PHE A 103 0.056 -13.831 14.505 1.00 73.32 H new ATOM 0 HA PHE A 103 -1.573 -14.112 12.225 1.00 14.40 H new ATOM 0 HB2 PHE A 103 -0.300 -12.087 12.745 1.00 12.02 H new ATOM 0 HB3 PHE A 103 1.203 -12.984 12.841 1.00 12.02 H new ATOM 0 HD1 PHE A 103 2.634 -12.793 11.051 1.00 12.41 H new ATOM 0 HD2 PHE A 103 -1.512 -12.358 10.351 1.00 22.14 H new ATOM 0 HE1 PHE A 103 3.093 -12.280 8.648 1.00 64.11 H new ATOM 0 HE2 PHE A 103 -1.052 -11.848 7.948 1.00 11.41 H new ATOM 0 HZ PHE A 103 1.244 -11.814 7.125 1.00 20.22 H new ATOM 1544 N ALA A 104 1.116 -15.951 12.271 1.00 30.25 N ATOM 1545 CA ALA A 104 1.812 -17.033 11.595 1.00 54.42 C ATOM 1546 C ALA A 104 1.087 -18.351 11.872 1.00 62.40 C ATOM 1547 O ALA A 104 1.445 -19.389 11.316 1.00 12.14 O ATOM 1548 CB ALA A 104 3.272 -17.063 12.049 1.00 64.23 C ATOM 0 H ALA A 104 1.474 -15.728 13.200 1.00 30.25 H new ATOM 0 HA ALA A 104 1.810 -16.877 10.516 1.00 54.42 H new ATOM 0 HB1 ALA A 104 3.794 -17.875 11.542 1.00 64.23 H new ATOM 0 HB2 ALA A 104 3.749 -16.115 11.802 1.00 64.23 H new ATOM 0 HB3 ALA A 104 3.315 -17.221 13.127 1.00 64.23 H new ATOM 1554 N ALA A 105 0.082 -18.268 12.731 1.00 30.30 N ATOM 1555 CA ALA A 105 -0.696 -19.442 13.089 1.00 61.33 C ATOM 1556 C ALA A 105 -1.785 -19.667 12.037 1.00 25.24 C ATOM 1557 O ALA A 105 -1.885 -20.751 11.465 1.00 61.05 O ATOM 1558 CB ALA A 105 -1.271 -19.265 14.495 1.00 14.41 C ATOM 0 H ALA A 105 -0.212 -17.406 13.190 1.00 30.30 H new ATOM 0 HA ALA A 105 -0.065 -20.330 13.105 1.00 61.33 H new ATOM 0 HB1 ALA A 105 -1.854 -20.146 14.763 1.00 14.41 H new ATOM 0 HB2 ALA A 105 -0.456 -19.139 15.208 1.00 14.41 H new ATOM 0 HB3 ALA A 105 -1.913 -18.384 14.517 1.00 14.41 H new ATOM 1564 N MET A 106 -2.572 -18.625 11.816 1.00 75.44 N ATOM 1565 CA MET A 106 -3.650 -18.695 10.843 1.00 20.53 C ATOM 1566 C MET A 106 -3.136 -19.193 9.490 1.00 13.45 C ATOM 1567 O MET A 106 -3.914 -19.665 8.663 1.00 61.02 O ATOM 1568 CB MET A 106 -4.276 -17.310 10.674 1.00 10.20 C ATOM 1569 CG MET A 106 -3.216 -16.271 10.304 1.00 43.40 C ATOM 1570 SD MET A 106 -3.792 -14.634 10.725 1.00 65.34 S ATOM 1571 CE MET A 106 -5.525 -14.807 10.337 1.00 53.44 C ATOM 0 H MET A 106 -2.485 -17.728 12.293 1.00 75.44 H new ATOM 0 HA MET A 106 -4.398 -19.399 11.207 1.00 20.53 H new ATOM 0 HB2 MET A 106 -5.042 -17.345 9.899 1.00 10.20 H new ATOM 0 HB3 MET A 106 -4.772 -17.016 11.599 1.00 10.20 H new ATOM 0 HG2 MET A 106 -2.286 -16.485 10.831 1.00 43.40 H new ATOM 0 HG3 MET A 106 -2.998 -16.326 9.237 1.00 43.40 H new ATOM 0 HE1 MET A 106 -6.033 -13.858 10.509 1.00 53.44 H new ATOM 0 HE2 MET A 106 -5.637 -15.094 9.291 1.00 53.44 H new ATOM 0 HE3 MET A 106 -5.965 -15.575 10.973 1.00 53.44 H new ATOM 1581 N ILE A 107 -1.830 -19.069 9.308 1.00 41.12 N ATOM 1582 CA ILE A 107 -1.203 -19.500 8.070 1.00 53.33 C ATOM 1583 C ILE A 107 -0.566 -20.875 8.277 1.00 5.15 C ATOM 1584 O ILE A 107 -0.691 -21.756 7.429 1.00 73.14 O ATOM 1585 CB ILE A 107 -0.224 -18.437 7.567 1.00 62.21 C ATOM 1586 CG1 ILE A 107 0.693 -17.959 8.695 1.00 60.23 C ATOM 1587 CG2 ILE A 107 -0.967 -17.277 6.902 1.00 73.00 C ATOM 1588 CD1 ILE A 107 1.829 -17.092 8.148 1.00 55.22 C ATOM 0 H ILE A 107 -1.189 -18.676 9.997 1.00 41.12 H new ATOM 0 HA ILE A 107 -1.949 -19.610 7.283 1.00 53.33 H new ATOM 0 HB ILE A 107 0.411 -18.891 6.806 1.00 62.21 H new ATOM 0 HG12 ILE A 107 0.114 -17.390 9.422 1.00 60.23 H new ATOM 0 HG13 ILE A 107 1.108 -18.819 9.220 1.00 60.23 H new ATOM 0 HG21 ILE A 107 -0.247 -16.536 6.554 1.00 73.00 H new ATOM 0 HG22 ILE A 107 -1.542 -17.651 6.055 1.00 73.00 H new ATOM 0 HG23 ILE A 107 -1.642 -16.816 7.623 1.00 73.00 H new ATOM 0 HD11 ILE A 107 2.466 -16.766 8.970 1.00 55.22 H new ATOM 0 HD12 ILE A 107 2.420 -17.672 7.439 1.00 55.22 H new ATOM 0 HD13 ILE A 107 1.411 -16.220 7.644 1.00 55.22 H new ATOM 1600 N LYS A 108 0.105 -21.015 9.411 1.00 23.43 N ATOM 1601 CA LYS A 108 0.763 -22.268 9.741 1.00 31.35 C ATOM 1602 C LYS A 108 -0.283 -23.381 9.827 1.00 72.53 C ATOM 1603 O LYS A 108 0.043 -24.558 9.677 1.00 3.11 O ATOM 1604 CB LYS A 108 1.602 -22.115 11.011 1.00 2.54 C ATOM 1605 CG LYS A 108 2.287 -23.432 11.379 1.00 62.41 C ATOM 1606 CD LYS A 108 3.629 -23.179 12.069 1.00 31.14 C ATOM 1607 CE LYS A 108 3.471 -23.178 13.591 1.00 14.52 C ATOM 1608 NZ LYS A 108 3.560 -24.556 14.123 1.00 50.11 N ATOM 0 H LYS A 108 0.207 -20.282 10.113 1.00 23.43 H new ATOM 0 HA LYS A 108 1.464 -22.548 8.955 1.00 31.35 H new ATOM 0 HB2 LYS A 108 2.353 -21.339 10.863 1.00 2.54 H new ATOM 0 HB3 LYS A 108 0.966 -21.790 11.834 1.00 2.54 H new ATOM 0 HG2 LYS A 108 1.639 -24.011 12.037 1.00 62.41 H new ATOM 0 HG3 LYS A 108 2.443 -24.028 10.480 1.00 62.41 H new ATOM 0 HD2 LYS A 108 4.344 -23.947 11.774 1.00 31.14 H new ATOM 0 HD3 LYS A 108 4.036 -22.222 11.741 1.00 31.14 H new ATOM 0 HE2 LYS A 108 4.245 -22.557 14.042 1.00 14.52 H new ATOM 0 HE3 LYS A 108 2.511 -22.739 13.862 1.00 14.52 H new ATOM 0 HZ1 LYS A 108 3.451 -24.537 15.157 1.00 50.11 H new ATOM 0 HZ2 LYS A 108 2.806 -25.138 13.706 1.00 50.11 H new ATOM 0 HZ3 LYS A 108 4.486 -24.963 13.880 1.00 50.11 H new ATOM 1621 N GLY A 109 -1.520 -22.971 10.067 1.00 43.41 N ATOM 1622 CA GLY A 109 -2.616 -23.918 10.174 1.00 62.41 C ATOM 1623 C GLY A 109 -3.962 -23.194 10.245 1.00 61.42 C ATOM 1624 O GLY A 109 -4.603 -22.966 9.220 1.00 5.10 O ATOM 0 H GLY A 109 -1.787 -21.994 10.190 1.00 43.41 H new ATOM 0 HA2 GLY A 109 -2.606 -24.590 9.316 1.00 62.41 H new ATOM 0 HA3 GLY A 109 -2.483 -24.534 11.063 1.00 62.41 H new