USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0124 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.9!) USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= 0.176 (180deg=-0.974) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.279 (180deg=-0.446) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -55:sc= 0.17 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.441 K(o=-0.44,f=0.89) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -0.152 (180deg=-0.173) USER MOD Single : A 74 LYS NZ :NH3+ 136:sc= -0.0653 (180deg=-0.541) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -113:sc= -4.11! (180deg=-10.6!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 93 SER OG : rot -83:sc= -0.0113 USER MOD Single : A 94 HIS : no HE2:sc= -0.078 K(o=-0.078,f=-0.89) USER MOD Single : A 96 CYS SG : rot -52:sc= -1.28 USER MOD Single : A 98 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.03) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.264 14.241 27.863 1.00 3.20 N ATOM 2 CA GLY A 1 -0.651 13.580 26.952 1.00 72.32 C ATOM 3 C GLY A 1 -0.004 13.242 25.623 1.00 0.13 C ATOM 4 O GLY A 1 0.812 14.007 25.111 1.00 50.34 O ATOM 0 H1 GLY A 1 -0.237 14.999 28.370 1.00 3.20 H new ATOM 0 H2 GLY A 1 0.631 13.550 28.548 1.00 3.20 H new ATOM 0 H3 GLY A 1 1.055 14.649 27.325 1.00 3.20 H new ATOM 0 HA2 GLY A 1 -1.022 12.666 27.415 1.00 72.32 H new ATOM 0 HA3 GLY A 1 -1.514 14.223 26.779 1.00 72.32 H new ATOM 8 N ALA A 2 -0.367 12.092 25.065 1.00 32.13 N ATOM 9 CA ALA A 2 0.183 11.655 23.788 1.00 25.25 C ATOM 10 C ALA A 2 -0.742 12.028 22.635 1.00 23.31 C ATOM 11 O ALA A 2 -1.961 12.077 22.796 1.00 22.40 O ATOM 12 CB ALA A 2 0.429 10.153 23.806 1.00 5.41 C ATOM 0 H ALA A 2 -1.040 11.446 25.478 1.00 32.13 H new ATOM 0 HA ALA A 2 1.134 12.166 23.636 1.00 25.25 H new ATOM 0 HB1 ALA A 2 0.840 9.840 22.846 1.00 5.41 H new ATOM 0 HB2 ALA A 2 1.135 9.909 24.600 1.00 5.41 H new ATOM 0 HB3 ALA A 2 -0.512 9.632 23.985 1.00 5.41 H new ATOM 18 N MET A 3 -0.154 12.291 21.472 1.00 30.54 N ATOM 19 CA MET A 3 -0.927 12.659 20.292 1.00 60.31 C ATOM 20 C MET A 3 -0.526 11.807 19.092 1.00 63.21 C ATOM 21 O MET A 3 -1.257 10.903 18.688 1.00 0.13 O ATOM 22 CB MET A 3 -0.730 14.141 19.969 1.00 44.03 C ATOM 23 CG MET A 3 -1.768 15.046 20.610 1.00 14.52 C ATOM 24 SD MET A 3 -1.117 16.681 21.003 1.00 12.30 S ATOM 25 CE MET A 3 -2.611 17.667 20.933 1.00 33.31 C ATOM 0 H MET A 3 0.854 12.256 21.322 1.00 30.54 H new ATOM 0 HA MET A 3 -1.980 12.479 20.507 1.00 60.31 H new ATOM 0 HB2 MET A 3 0.262 14.448 20.301 1.00 44.03 H new ATOM 0 HB3 MET A 3 -0.760 14.276 18.888 1.00 44.03 H new ATOM 0 HG2 MET A 3 -2.619 15.150 19.937 1.00 14.52 H new ATOM 0 HG3 MET A 3 -2.139 14.578 21.522 1.00 14.52 H new ATOM 0 HE1 MET A 3 -2.371 18.707 21.155 1.00 33.31 H new ATOM 0 HE2 MET A 3 -3.045 17.599 19.936 1.00 33.31 H new ATOM 0 HE3 MET A 3 -3.327 17.295 21.666 1.00 33.31 H new ATOM 35 N ALA A 4 0.640 12.101 18.526 1.00 2.40 N ATOM 36 CA ALA A 4 1.139 11.361 17.374 1.00 53.24 C ATOM 37 C ALA A 4 2.581 11.743 17.058 1.00 51.02 C ATOM 38 O ALA A 4 2.966 12.905 17.181 1.00 40.34 O ATOM 39 CB ALA A 4 0.249 11.606 16.164 1.00 51.11 C ATOM 0 H ALA A 4 1.257 12.847 18.847 1.00 2.40 H new ATOM 0 HA ALA A 4 1.118 10.299 17.619 1.00 53.24 H new ATOM 0 HB1 ALA A 4 0.633 11.047 15.311 1.00 51.11 H new ATOM 0 HB2 ALA A 4 -0.766 11.277 16.386 1.00 51.11 H new ATOM 0 HB3 ALA A 4 0.241 12.670 15.927 1.00 51.11 H new ATOM 45 N MET A 5 3.374 10.757 16.651 1.00 33.14 N ATOM 46 CA MET A 5 4.774 10.991 16.318 1.00 71.14 C ATOM 47 C MET A 5 5.429 9.715 15.797 1.00 2.53 C ATOM 48 O MET A 5 5.349 8.663 16.430 1.00 62.02 O ATOM 49 CB MET A 5 5.533 11.505 17.542 1.00 2.22 C ATOM 50 CG MET A 5 6.196 12.855 17.323 1.00 3.42 C ATOM 51 SD MET A 5 6.010 13.958 18.737 1.00 13.43 S ATOM 52 CE MET A 5 6.084 15.557 17.932 1.00 22.42 C ATOM 0 H MET A 5 3.071 9.789 16.544 1.00 33.14 H new ATOM 0 HA MET A 5 4.814 11.746 15.533 1.00 71.14 H new ATOM 0 HB2 MET A 5 4.843 11.580 18.382 1.00 2.22 H new ATOM 0 HB3 MET A 5 6.294 10.776 17.820 1.00 2.22 H new ATOM 0 HG2 MET A 5 7.257 12.706 17.121 1.00 3.42 H new ATOM 0 HG3 MET A 5 5.766 13.327 16.440 1.00 3.42 H new ATOM 0 HE1 MET A 5 5.983 16.345 18.678 1.00 22.42 H new ATOM 0 HE2 MET A 5 7.040 15.663 17.420 1.00 22.42 H new ATOM 0 HE3 MET A 5 5.274 15.637 17.207 1.00 22.42 H new ATOM 62 N ALA A 6 6.077 9.817 14.641 1.00 14.41 N ATOM 63 CA ALA A 6 6.747 8.672 14.037 1.00 13.43 C ATOM 64 C ALA A 6 7.433 9.063 12.733 1.00 53.14 C ATOM 65 O ALA A 6 6.798 9.591 11.819 1.00 60.52 O ATOM 66 CB ALA A 6 5.753 7.546 13.797 1.00 71.24 C ATOM 0 H ALA A 6 6.152 10.681 14.104 1.00 14.41 H new ATOM 0 HA ALA A 6 7.513 8.323 14.729 1.00 13.43 H new ATOM 0 HB1 ALA A 6 6.267 6.697 13.346 1.00 71.24 H new ATOM 0 HB2 ALA A 6 5.313 7.241 14.746 1.00 71.24 H new ATOM 0 HB3 ALA A 6 4.966 7.892 13.127 1.00 71.24 H new ATOM 72 N LYS A 7 8.733 8.802 12.652 1.00 71.31 N ATOM 73 CA LYS A 7 9.506 9.125 11.459 1.00 42.12 C ATOM 74 C LYS A 7 10.380 7.947 11.041 1.00 71.33 C ATOM 75 O LYS A 7 11.277 8.091 10.210 1.00 33.35 O ATOM 76 CB LYS A 7 10.379 10.357 11.710 1.00 30.20 C ATOM 77 CG LYS A 7 9.799 11.640 11.140 1.00 31.33 C ATOM 78 CD LYS A 7 10.097 11.776 9.656 1.00 33.45 C ATOM 79 CE LYS A 7 10.551 13.184 9.306 1.00 45.01 C ATOM 80 NZ LYS A 7 12.013 13.242 9.029 1.00 64.15 N ATOM 0 H LYS A 7 9.274 8.367 13.399 1.00 71.31 H new ATOM 0 HA LYS A 7 8.807 9.341 10.651 1.00 42.12 H new ATOM 0 HB2 LYS A 7 10.521 10.478 12.784 1.00 30.20 H new ATOM 0 HB3 LYS A 7 11.364 10.189 11.275 1.00 30.20 H new ATOM 0 HG2 LYS A 7 8.721 11.655 11.298 1.00 31.33 H new ATOM 0 HG3 LYS A 7 10.211 12.496 11.675 1.00 31.33 H new ATOM 0 HD2 LYS A 7 10.870 11.062 9.372 1.00 33.45 H new ATOM 0 HD3 LYS A 7 9.206 11.526 9.080 1.00 33.45 H new ATOM 0 HE2 LYS A 7 10.002 13.536 8.433 1.00 45.01 H new ATOM 0 HE3 LYS A 7 10.310 13.858 10.128 1.00 45.01 H new ATOM 0 HZ1 LYS A 7 12.283 14.218 8.794 1.00 64.15 H new ATOM 0 HZ2 LYS A 7 12.538 12.930 9.871 1.00 64.15 H new ATOM 0 HZ3 LYS A 7 12.240 12.618 8.228 1.00 64.15 H new ATOM 94 N ALA A 8 10.111 6.781 11.620 1.00 12.44 N ATOM 95 CA ALA A 8 10.870 5.578 11.305 1.00 62.11 C ATOM 96 C ALA A 8 9.944 4.387 11.083 1.00 61.11 C ATOM 97 O ALA A 8 8.723 4.514 11.170 1.00 33.54 O ATOM 98 CB ALA A 8 11.865 5.275 12.415 1.00 2.45 C ATOM 0 H ALA A 8 9.372 6.645 12.310 1.00 12.44 H new ATOM 0 HA ALA A 8 11.418 5.757 10.380 1.00 62.11 H new ATOM 0 HB1 ALA A 8 12.425 4.374 12.166 1.00 2.45 H new ATOM 0 HB2 ALA A 8 12.555 6.112 12.524 1.00 2.45 H new ATOM 0 HB3 ALA A 8 11.329 5.122 13.352 1.00 2.45 H new ATOM 104 N ARG A 9 10.533 3.231 10.795 1.00 61.12 N ATOM 105 CA ARG A 9 9.760 2.018 10.558 1.00 21.43 C ATOM 106 C ARG A 9 10.511 0.788 11.061 1.00 13.04 C ATOM 107 O ARG A 9 11.054 0.013 10.274 1.00 40.22 O ATOM 108 CB ARG A 9 9.452 1.866 9.067 1.00 24.15 C ATOM 109 CG ARG A 9 10.681 1.965 8.179 1.00 45.43 C ATOM 110 CD ARG A 9 10.404 2.796 6.935 1.00 30.52 C ATOM 111 NE ARG A 9 11.521 3.677 6.605 1.00 15.23 N ATOM 112 CZ ARG A 9 11.478 4.587 5.639 1.00 55.24 C ATOM 113 NH1 ARG A 9 10.379 4.735 4.911 1.00 62.32 N ATOM 114 NH2 ARG A 9 12.535 5.352 5.399 1.00 53.44 N ATOM 0 H ARG A 9 11.543 3.109 10.720 1.00 61.12 H new ATOM 0 HA ARG A 9 8.823 2.101 11.109 1.00 21.43 H new ATOM 0 HB2 ARG A 9 8.970 0.903 8.900 1.00 24.15 H new ATOM 0 HB3 ARG A 9 8.738 2.635 8.772 1.00 24.15 H new ATOM 0 HG2 ARG A 9 11.502 2.411 8.740 1.00 45.43 H new ATOM 0 HG3 ARG A 9 11.001 0.965 7.886 1.00 45.43 H new ATOM 0 HD2 ARG A 9 10.204 2.133 6.093 1.00 30.52 H new ATOM 0 HD3 ARG A 9 9.505 3.393 7.091 1.00 30.52 H new ATOM 0 HE ARG A 9 12.381 3.588 7.146 1.00 15.23 H new ATOM 0 HH11 ARG A 9 9.564 4.149 5.093 1.00 62.32 H new ATOM 0 HH12 ARG A 9 10.349 5.435 4.170 1.00 62.32 H new ATOM 0 HH21 ARG A 9 13.382 5.241 5.957 1.00 53.44 H new ATOM 0 HH22 ARG A 9 12.501 6.051 4.657 1.00 53.44 H new ATOM 128 N LYS A 10 10.537 0.616 12.379 1.00 64.54 N ATOM 129 CA LYS A 10 11.220 -0.519 12.988 1.00 21.44 C ATOM 130 C LYS A 10 10.226 -1.441 13.688 1.00 52.15 C ATOM 131 O LYS A 10 9.167 -1.015 14.150 1.00 3.01 O ATOM 132 CB LYS A 10 12.270 -0.032 13.989 1.00 2.41 C ATOM 133 CG LYS A 10 13.287 0.923 13.387 1.00 13.22 C ATOM 134 CD LYS A 10 14.707 0.415 13.572 1.00 74.34 C ATOM 135 CE LYS A 10 15.663 1.545 13.920 1.00 14.23 C ATOM 136 NZ LYS A 10 17.010 1.337 13.322 1.00 61.33 N ATOM 0 H LYS A 10 10.093 1.248 13.045 1.00 64.54 H new ATOM 0 HA LYS A 10 11.715 -1.080 12.195 1.00 21.44 H new ATOM 0 HB2 LYS A 10 11.766 0.463 14.819 1.00 2.41 H new ATOM 0 HB3 LYS A 10 12.794 -0.894 14.402 1.00 2.41 H new ATOM 0 HG2 LYS A 10 13.081 1.052 12.324 1.00 13.22 H new ATOM 0 HG3 LYS A 10 13.187 1.903 13.853 1.00 13.22 H new ATOM 0 HD2 LYS A 10 14.726 -0.335 14.363 1.00 74.34 H new ATOM 0 HD3 LYS A 10 15.041 -0.077 12.658 1.00 74.34 H new ATOM 0 HE2 LYS A 10 15.251 2.490 13.567 1.00 14.23 H new ATOM 0 HE3 LYS A 10 15.755 1.622 15.003 1.00 14.23 H new ATOM 0 HZ1 LYS A 10 17.632 2.129 13.583 1.00 61.33 H new ATOM 0 HZ2 LYS A 10 17.414 0.448 13.678 1.00 61.33 H new ATOM 0 HZ3 LYS A 10 16.926 1.289 12.286 1.00 61.33 H new ATOM 150 N PRO A 11 10.572 -2.734 13.769 1.00 63.12 N ATOM 151 CA PRO A 11 9.724 -3.742 14.412 1.00 2.01 C ATOM 152 C PRO A 11 9.658 -3.564 15.925 1.00 12.50 C ATOM 153 O PRO A 11 8.588 -3.320 16.484 1.00 4.04 O ATOM 154 CB PRO A 11 10.413 -5.063 14.059 1.00 11.32 C ATOM 155 CG PRO A 11 11.838 -4.696 13.826 1.00 31.31 C ATOM 156 CD PRO A 11 11.819 -3.312 13.239 1.00 10.03 C ATOM 0 HA PRO A 11 8.690 -3.681 14.073 1.00 2.01 H new ATOM 0 HB2 PRO A 11 10.318 -5.788 14.868 1.00 11.32 H new ATOM 0 HB3 PRO A 11 9.970 -5.516 13.172 1.00 11.32 H new ATOM 0 HG2 PRO A 11 12.404 -4.717 14.758 1.00 31.31 H new ATOM 0 HG3 PRO A 11 12.317 -5.401 13.147 1.00 31.31 H new ATOM 0 HD2 PRO A 11 12.691 -2.734 13.544 1.00 10.03 H new ATOM 0 HD3 PRO A 11 11.819 -3.338 12.149 1.00 10.03 H new ATOM 164 N ARG A 12 10.807 -3.686 16.582 1.00 53.23 N ATOM 165 CA ARG A 12 10.878 -3.539 18.030 1.00 1.54 C ATOM 166 C ARG A 12 10.284 -2.204 18.471 1.00 4.31 C ATOM 167 O ARG A 12 9.496 -2.146 19.414 1.00 3.12 O ATOM 168 CB ARG A 12 12.329 -3.645 18.504 1.00 12.13 C ATOM 169 CG ARG A 12 12.512 -4.559 19.705 1.00 52.12 C ATOM 170 CD ARG A 12 13.937 -4.506 20.233 1.00 13.23 C ATOM 171 NE ARG A 12 14.844 -5.338 19.447 1.00 15.21 N ATOM 172 CZ ARG A 12 16.167 -5.241 19.506 1.00 41.10 C ATOM 173 NH1 ARG A 12 16.735 -4.353 20.310 1.00 31.25 N ATOM 174 NH2 ARG A 12 16.925 -6.034 18.759 1.00 4.44 N ATOM 0 H ARG A 12 11.701 -3.886 16.134 1.00 53.23 H new ATOM 0 HA ARG A 12 10.296 -4.343 18.481 1.00 1.54 H new ATOM 0 HB2 ARG A 12 12.945 -4.011 17.682 1.00 12.13 H new ATOM 0 HB3 ARG A 12 12.693 -2.649 18.757 1.00 12.13 H new ATOM 0 HG2 ARG A 12 11.819 -4.267 20.494 1.00 52.12 H new ATOM 0 HG3 ARG A 12 12.264 -5.583 19.425 1.00 52.12 H new ATOM 0 HD2 ARG A 12 14.290 -3.475 20.221 1.00 13.23 H new ATOM 0 HD3 ARG A 12 13.951 -4.836 21.272 1.00 13.23 H new ATOM 0 HE ARG A 12 14.439 -6.032 18.818 1.00 15.21 H new ATOM 0 HH11 ARG A 12 16.155 -3.742 20.885 1.00 31.25 H new ATOM 0 HH12 ARG A 12 17.752 -4.281 20.353 1.00 31.25 H new ATOM 0 HH21 ARG A 12 16.491 -6.718 18.139 1.00 4.44 H new ATOM 0 HH22 ARG A 12 17.941 -5.959 18.805 1.00 4.44 H new ATOM 188 N GLU A 13 10.670 -1.134 17.782 1.00 75.11 N ATOM 189 CA GLU A 13 10.176 0.200 18.104 1.00 71.41 C ATOM 190 C GLU A 13 8.678 0.306 17.832 1.00 21.32 C ATOM 191 O GLU A 13 8.005 1.197 18.348 1.00 35.13 O ATOM 192 CB GLU A 13 10.929 1.256 17.292 1.00 32.13 C ATOM 193 CG GLU A 13 12.440 1.103 17.347 1.00 15.34 C ATOM 194 CD GLU A 13 13.167 2.410 17.097 1.00 24.25 C ATOM 195 OE1 GLU A 13 12.638 3.247 16.337 1.00 13.21 O ATOM 196 OE2 GLU A 13 14.266 2.595 17.661 1.00 30.13 O ATOM 0 H GLU A 13 11.322 -1.165 16.998 1.00 75.11 H new ATOM 0 HA GLU A 13 10.348 0.377 19.166 1.00 71.41 H new ATOM 0 HB2 GLU A 13 10.604 1.203 16.253 1.00 32.13 H new ATOM 0 HB3 GLU A 13 10.659 2.246 17.660 1.00 32.13 H new ATOM 0 HG2 GLU A 13 12.727 0.713 18.324 1.00 15.34 H new ATOM 0 HG3 GLU A 13 12.755 0.369 16.605 1.00 15.34 H new ATOM 203 N ALA A 14 8.164 -0.610 17.018 1.00 42.05 N ATOM 204 CA ALA A 14 6.747 -0.621 16.678 1.00 52.02 C ATOM 205 C ALA A 14 5.895 -0.985 17.889 1.00 52.01 C ATOM 206 O ALA A 14 4.864 -0.361 18.146 1.00 22.11 O ATOM 207 CB ALA A 14 6.485 -1.591 15.535 1.00 24.34 C ATOM 0 H ALA A 14 8.708 -1.354 16.582 1.00 42.05 H new ATOM 0 HA ALA A 14 6.468 0.383 16.358 1.00 52.02 H new ATOM 0 HB1 ALA A 14 5.422 -1.589 15.292 1.00 24.34 H new ATOM 0 HB2 ALA A 14 7.058 -1.285 14.660 1.00 24.34 H new ATOM 0 HB3 ALA A 14 6.787 -2.595 15.833 1.00 24.34 H new ATOM 213 N LEU A 15 6.330 -1.998 18.630 1.00 62.03 N ATOM 214 CA LEU A 15 5.607 -2.446 19.815 1.00 54.14 C ATOM 215 C LEU A 15 5.705 -1.415 20.935 1.00 60.33 C ATOM 216 O LEU A 15 4.752 -1.208 21.687 1.00 3.43 O ATOM 217 CB LEU A 15 6.156 -3.791 20.294 1.00 51.23 C ATOM 218 CG LEU A 15 5.972 -4.100 21.780 1.00 74.12 C ATOM 219 CD1 LEU A 15 4.504 -4.339 22.097 1.00 14.13 C ATOM 220 CD2 LEU A 15 6.809 -5.305 22.182 1.00 60.44 C ATOM 0 H LEU A 15 7.180 -2.525 18.431 1.00 62.03 H new ATOM 0 HA LEU A 15 4.557 -2.565 19.547 1.00 54.14 H new ATOM 0 HB2 LEU A 15 5.678 -4.582 19.717 1.00 51.23 H new ATOM 0 HB3 LEU A 15 7.221 -3.829 20.065 1.00 51.23 H new ATOM 0 HG LEU A 15 6.312 -3.239 22.355 1.00 74.12 H new ATOM 0 HD11 LEU A 15 4.392 -4.557 23.159 1.00 14.13 H new ATOM 0 HD12 LEU A 15 3.928 -3.448 21.847 1.00 14.13 H new ATOM 0 HD13 LEU A 15 4.138 -5.183 21.512 1.00 14.13 H new ATOM 0 HD21 LEU A 15 6.665 -5.510 23.243 1.00 60.44 H new ATOM 0 HD22 LEU A 15 6.500 -6.173 21.600 1.00 60.44 H new ATOM 0 HD23 LEU A 15 7.862 -5.096 21.992 1.00 60.44 H new ATOM 232 N LEU A 16 6.862 -0.771 21.038 1.00 10.25 N ATOM 233 CA LEU A 16 7.085 0.241 22.066 1.00 72.15 C ATOM 234 C LEU A 16 6.222 1.473 21.812 1.00 0.04 C ATOM 235 O LEU A 16 5.590 1.999 22.728 1.00 32.14 O ATOM 236 CB LEU A 16 8.561 0.638 22.106 1.00 25.14 C ATOM 237 CG LEU A 16 9.562 -0.511 22.230 1.00 23.51 C ATOM 238 CD1 LEU A 16 10.983 -0.006 22.034 1.00 40.34 C ATOM 239 CD2 LEU A 16 9.421 -1.199 23.580 1.00 11.35 C ATOM 0 H LEU A 16 7.660 -0.931 20.423 1.00 10.25 H new ATOM 0 HA LEU A 16 6.804 -0.185 23.029 1.00 72.15 H new ATOM 0 HB2 LEU A 16 8.791 1.197 21.199 1.00 25.14 H new ATOM 0 HB3 LEU A 16 8.711 1.317 22.946 1.00 25.14 H new ATOM 0 HG LEU A 16 9.346 -1.240 21.449 1.00 23.51 H new ATOM 0 HD11 LEU A 16 11.681 -0.838 22.126 1.00 40.34 H new ATOM 0 HD12 LEU A 16 11.078 0.439 21.044 1.00 40.34 H new ATOM 0 HD13 LEU A 16 11.211 0.744 22.792 1.00 40.34 H new ATOM 0 HD21 LEU A 16 10.141 -2.014 23.650 1.00 11.35 H new ATOM 0 HD22 LEU A 16 9.609 -0.479 24.377 1.00 11.35 H new ATOM 0 HD23 LEU A 16 8.412 -1.597 23.682 1.00 11.35 H new ATOM 251 N TRP A 17 6.200 1.927 20.564 1.00 34.54 N ATOM 252 CA TRP A 17 5.412 3.096 20.190 1.00 21.14 C ATOM 253 C TRP A 17 3.924 2.763 20.160 1.00 45.23 C ATOM 254 O TRP A 17 3.084 3.610 20.459 1.00 15.25 O ATOM 255 CB TRP A 17 5.858 3.621 18.825 1.00 41.12 C ATOM 256 CG TRP A 17 6.253 5.067 18.844 1.00 32.25 C ATOM 257 CD1 TRP A 17 5.446 6.140 18.594 1.00 43.11 C ATOM 258 CD2 TRP A 17 7.552 5.597 19.128 1.00 24.42 C ATOM 259 NE1 TRP A 17 6.166 7.305 18.705 1.00 43.23 N ATOM 260 CE2 TRP A 17 7.461 6.999 19.033 1.00 75.05 C ATOM 261 CE3 TRP A 17 8.784 5.023 19.456 1.00 51.13 C ATOM 262 CZ2 TRP A 17 8.554 7.833 19.252 1.00 72.25 C ATOM 263 CZ3 TRP A 17 9.868 5.852 19.672 1.00 0.14 C ATOM 264 CH2 TRP A 17 9.747 7.244 19.571 1.00 43.45 C ATOM 0 H TRP A 17 6.718 1.504 19.794 1.00 34.54 H new ATOM 0 HA TRP A 17 5.576 3.870 20.940 1.00 21.14 H new ATOM 0 HB2 TRP A 17 6.701 3.026 18.473 1.00 41.12 H new ATOM 0 HB3 TRP A 17 5.048 3.482 18.108 1.00 41.12 H new ATOM 0 HD1 TRP A 17 4.397 6.081 18.346 1.00 43.11 H new ATOM 0 HE1 TRP A 17 5.796 8.245 18.566 1.00 43.23 H new ATOM 0 HE3 TRP A 17 8.886 3.951 19.539 1.00 51.13 H new ATOM 0 HZ2 TRP A 17 8.463 8.906 19.173 1.00 72.25 H new ATOM 0 HZ3 TRP A 17 10.825 5.419 19.923 1.00 0.14 H new ATOM 0 HH2 TRP A 17 10.613 7.865 19.749 1.00 43.45 H new ATOM 275 N ALA A 18 3.607 1.525 19.796 1.00 53.11 N ATOM 276 CA ALA A 18 2.220 1.081 19.729 1.00 61.23 C ATOM 277 C ALA A 18 1.641 0.875 21.124 1.00 2.24 C ATOM 278 O ALA A 18 0.674 1.533 21.510 1.00 53.14 O ATOM 279 CB ALA A 18 2.116 -0.202 18.918 1.00 73.34 C ATOM 0 H ALA A 18 4.291 0.812 19.543 1.00 53.11 H new ATOM 0 HA ALA A 18 1.639 1.859 19.235 1.00 61.23 H new ATOM 0 HB1 ALA A 18 1.075 -0.522 18.876 1.00 73.34 H new ATOM 0 HB2 ALA A 18 2.482 -0.024 17.907 1.00 73.34 H new ATOM 0 HB3 ALA A 18 2.716 -0.980 19.389 1.00 73.34 H new ATOM 285 N LEU A 19 2.238 -0.042 21.878 1.00 1.40 N ATOM 286 CA LEU A 19 1.781 -0.335 23.232 1.00 1.31 C ATOM 287 C LEU A 19 1.628 0.947 24.045 1.00 50.25 C ATOM 288 O LEU A 19 0.807 1.020 24.959 1.00 51.23 O ATOM 289 CB LEU A 19 2.761 -1.280 23.929 1.00 4.30 C ATOM 290 CG LEU A 19 4.080 -0.658 24.390 1.00 0.04 C ATOM 291 CD1 LEU A 19 3.899 0.048 25.725 1.00 21.23 C ATOM 292 CD2 LEU A 19 5.165 -1.721 24.489 1.00 12.55 C ATOM 0 H LEU A 19 3.039 -0.595 21.575 1.00 1.40 H new ATOM 0 HA LEU A 19 0.806 -0.818 23.163 1.00 1.31 H new ATOM 0 HB2 LEU A 19 2.263 -1.712 24.797 1.00 4.30 H new ATOM 0 HB3 LEU A 19 2.988 -2.102 23.250 1.00 4.30 H new ATOM 0 HG LEU A 19 4.390 0.081 23.651 1.00 0.04 H new ATOM 0 HD11 LEU A 19 4.848 0.484 26.037 1.00 21.23 H new ATOM 0 HD12 LEU A 19 3.153 0.836 25.622 1.00 21.23 H new ATOM 0 HD13 LEU A 19 3.566 -0.670 26.474 1.00 21.23 H new ATOM 0 HD21 LEU A 19 6.096 -1.261 24.818 1.00 12.55 H new ATOM 0 HD22 LEU A 19 4.863 -2.483 25.207 1.00 12.55 H new ATOM 0 HD23 LEU A 19 5.313 -2.182 23.512 1.00 12.55 H new ATOM 304 N SER A 20 2.423 1.957 23.703 1.00 33.52 N ATOM 305 CA SER A 20 2.377 3.236 24.402 1.00 73.41 C ATOM 306 C SER A 20 1.372 4.178 23.745 1.00 20.52 C ATOM 307 O SER A 20 0.897 5.128 24.367 1.00 4.12 O ATOM 308 CB SER A 20 3.763 3.882 24.418 1.00 23.25 C ATOM 309 OG SER A 20 3.682 5.256 24.754 1.00 14.15 O ATOM 0 H SER A 20 3.106 1.914 22.947 1.00 33.52 H new ATOM 0 HA SER A 20 2.058 3.051 25.428 1.00 73.41 H new ATOM 0 HB2 SER A 20 4.400 3.366 25.136 1.00 23.25 H new ATOM 0 HB3 SER A 20 4.231 3.771 23.440 1.00 23.25 H new ATOM 0 HG SER A 20 4.581 5.645 24.759 1.00 14.15 H new ATOM 315 N ASP A 21 1.053 3.906 22.485 1.00 50.14 N ATOM 316 CA ASP A 21 0.104 4.728 21.742 1.00 20.32 C ATOM 317 C ASP A 21 -1.309 4.555 22.290 1.00 72.11 C ATOM 318 O ASP A 21 -2.203 5.349 21.994 1.00 3.41 O ATOM 319 CB ASP A 21 0.136 4.366 20.257 1.00 64.44 C ATOM 320 CG ASP A 21 0.571 5.528 19.387 1.00 44.54 C ATOM 321 OD1 ASP A 21 0.580 6.673 19.886 1.00 12.23 O ATOM 322 OD2 ASP A 21 0.904 5.294 18.206 1.00 22.13 O ATOM 0 H ASP A 21 1.437 3.123 21.956 1.00 50.14 H new ATOM 0 HA ASP A 21 0.395 5.772 21.859 1.00 20.32 H new ATOM 0 HB2 ASP A 21 0.816 3.528 20.105 1.00 64.44 H new ATOM 0 HB3 ASP A 21 -0.854 4.034 19.946 1.00 64.44 H new ATOM 327 N LEU A 22 -1.505 3.512 23.089 1.00 70.44 N ATOM 328 CA LEU A 22 -2.810 3.233 23.677 1.00 14.25 C ATOM 329 C LEU A 22 -2.806 3.527 25.174 1.00 33.33 C ATOM 330 O LEU A 22 -1.784 3.378 25.842 1.00 23.03 O ATOM 331 CB LEU A 22 -3.201 1.775 23.433 1.00 34.32 C ATOM 332 CG LEU A 22 -2.049 0.771 23.376 1.00 41.42 C ATOM 333 CD1 LEU A 22 -2.374 -0.463 24.202 1.00 11.04 C ATOM 334 CD2 LEU A 22 -1.748 0.386 21.935 1.00 53.45 C ATOM 0 H LEU A 22 -0.776 2.845 23.344 1.00 70.44 H new ATOM 0 HA LEU A 22 -3.543 3.883 23.199 1.00 14.25 H new ATOM 0 HB2 LEU A 22 -3.886 1.467 24.223 1.00 34.32 H new ATOM 0 HB3 LEU A 22 -3.751 1.720 22.494 1.00 34.32 H new ATOM 0 HG LEU A 22 -1.161 1.242 23.799 1.00 41.42 H new ATOM 0 HD11 LEU A 22 -1.542 -1.166 24.149 1.00 11.04 H new ATOM 0 HD12 LEU A 22 -2.539 -0.173 25.240 1.00 11.04 H new ATOM 0 HD13 LEU A 22 -3.274 -0.936 23.810 1.00 11.04 H new ATOM 0 HD21 LEU A 22 -0.926 -0.329 21.914 1.00 53.45 H new ATOM 0 HD22 LEU A 22 -2.633 -0.065 21.487 1.00 53.45 H new ATOM 0 HD23 LEU A 22 -1.469 1.276 21.371 1.00 53.45 H new ATOM 346 N GLU A 23 -3.957 3.942 25.694 1.00 53.11 N ATOM 347 CA GLU A 23 -4.086 4.255 27.112 1.00 24.44 C ATOM 348 C GLU A 23 -3.713 3.049 27.971 1.00 12.30 C ATOM 349 O GLU A 23 -3.799 1.906 27.524 1.00 51.22 O ATOM 350 CB GLU A 23 -5.514 4.700 27.432 1.00 50.50 C ATOM 351 CG GLU A 23 -5.865 6.067 26.869 1.00 12.53 C ATOM 352 CD GLU A 23 -7.360 6.265 26.708 1.00 41.44 C ATOM 353 OE1 GLU A 23 -8.083 6.171 27.722 1.00 52.45 O ATOM 354 OE2 GLU A 23 -7.806 6.514 25.568 1.00 33.23 O ATOM 0 H GLU A 23 -4.813 4.069 25.154 1.00 53.11 H new ATOM 0 HA GLU A 23 -3.400 5.070 27.341 1.00 24.44 H new ATOM 0 HB2 GLU A 23 -6.213 3.963 27.036 1.00 50.50 H new ATOM 0 HB3 GLU A 23 -5.647 4.717 28.514 1.00 50.50 H new ATOM 0 HG2 GLU A 23 -5.469 6.840 27.528 1.00 12.53 H new ATOM 0 HG3 GLU A 23 -5.379 6.193 25.901 1.00 12.53 H new ATOM 361 N GLU A 24 -3.299 3.315 29.206 1.00 50.00 N ATOM 362 CA GLU A 24 -2.912 2.252 30.126 1.00 12.45 C ATOM 363 C GLU A 24 -4.104 1.359 30.458 1.00 70.12 C ATOM 364 O GLU A 24 -3.954 0.154 30.653 1.00 72.53 O ATOM 365 CB GLU A 24 -2.333 2.847 31.412 1.00 33.42 C ATOM 366 CG GLU A 24 -3.363 3.562 32.270 1.00 55.45 C ATOM 367 CD GLU A 24 -4.152 2.612 33.150 1.00 45.01 C ATOM 368 OE1 GLU A 24 -3.773 1.425 33.230 1.00 74.34 O ATOM 369 OE2 GLU A 24 -5.147 3.057 33.759 1.00 21.45 O ATOM 0 H GLU A 24 -3.223 4.256 29.592 1.00 50.00 H new ATOM 0 HA GLU A 24 -2.149 1.644 29.639 1.00 12.45 H new ATOM 0 HB2 GLU A 24 -1.876 2.049 31.997 1.00 33.42 H new ATOM 0 HB3 GLU A 24 -1.539 3.548 31.153 1.00 33.42 H new ATOM 0 HG2 GLU A 24 -2.860 4.298 32.897 1.00 55.45 H new ATOM 0 HG3 GLU A 24 -4.051 4.109 31.625 1.00 55.45 H new ATOM 376 N ASN A 25 -5.288 1.960 30.520 1.00 4.31 N ATOM 377 CA ASN A 25 -6.506 1.220 30.829 1.00 43.20 C ATOM 378 C ASN A 25 -6.945 0.375 29.637 1.00 35.25 C ATOM 379 O ASN A 25 -7.999 -0.262 29.670 1.00 42.21 O ATOM 380 CB ASN A 25 -7.626 2.184 31.226 1.00 21.32 C ATOM 381 CG ASN A 25 -8.022 2.041 32.683 1.00 31.40 C ATOM 382 OD1 ASN A 25 -7.272 1.493 33.491 1.00 61.21 O ATOM 383 ND2 ASN A 25 -9.207 2.534 33.025 1.00 23.10 N ATOM 0 H ASN A 25 -5.430 2.957 30.360 1.00 4.31 H new ATOM 0 HA ASN A 25 -6.296 0.554 31.666 1.00 43.20 H new ATOM 0 HB2 ASN A 25 -7.304 3.208 31.039 1.00 21.32 H new ATOM 0 HB3 ASN A 25 -8.497 2.004 30.596 1.00 21.32 H new ATOM 0 HD21 ASN A 25 -9.528 2.466 33.991 1.00 23.10 H new ATOM 0 HD22 ASN A 25 -9.796 2.980 32.322 1.00 23.10 H new ATOM 390 N ASP A 26 -6.131 0.373 28.588 1.00 54.32 N ATOM 391 CA ASP A 26 -6.435 -0.395 27.386 1.00 41.11 C ATOM 392 C ASP A 26 -5.458 -1.555 27.221 1.00 3.32 C ATOM 393 O ASP A 26 -5.864 -2.713 27.123 1.00 4.10 O ATOM 394 CB ASP A 26 -6.387 0.508 26.152 1.00 20.22 C ATOM 395 CG ASP A 26 -7.536 1.495 26.112 1.00 14.55 C ATOM 396 OD1 ASP A 26 -7.800 2.140 27.149 1.00 52.13 O ATOM 397 OD2 ASP A 26 -8.173 1.623 25.045 1.00 2.23 O ATOM 0 H ASP A 26 -5.255 0.894 28.545 1.00 54.32 H new ATOM 0 HA ASP A 26 -7.441 -0.802 27.490 1.00 41.11 H new ATOM 0 HB2 ASP A 26 -5.443 1.053 26.141 1.00 20.22 H new ATOM 0 HB3 ASP A 26 -6.410 -0.108 25.253 1.00 20.22 H new ATOM 402 N PHE A 27 -4.168 -1.235 27.191 1.00 71.44 N ATOM 403 CA PHE A 27 -3.133 -2.250 27.036 1.00 63.55 C ATOM 404 C PHE A 27 -3.208 -3.281 28.159 1.00 54.34 C ATOM 405 O PHE A 27 -3.070 -4.482 27.926 1.00 51.32 O ATOM 406 CB PHE A 27 -1.748 -1.599 27.018 1.00 14.25 C ATOM 407 CG PHE A 27 -0.884 -1.997 28.181 1.00 52.52 C ATOM 408 CD1 PHE A 27 -0.107 -3.142 28.123 1.00 31.13 C ATOM 409 CD2 PHE A 27 -0.850 -1.225 29.331 1.00 5.12 C ATOM 410 CE1 PHE A 27 0.690 -3.511 29.191 1.00 14.20 C ATOM 411 CE2 PHE A 27 -0.055 -1.588 30.402 1.00 64.33 C ATOM 412 CZ PHE A 27 0.715 -2.733 30.332 1.00 31.21 C ATOM 0 H PHE A 27 -3.815 -0.281 27.272 1.00 71.44 H new ATOM 0 HA PHE A 27 -3.300 -2.760 26.087 1.00 63.55 H new ATOM 0 HB2 PHE A 27 -1.241 -1.867 26.091 1.00 14.25 H new ATOM 0 HB3 PHE A 27 -1.865 -0.515 27.016 1.00 14.25 H new ATOM 0 HD1 PHE A 27 -0.124 -3.754 27.233 1.00 31.13 H new ATOM 0 HD2 PHE A 27 -1.451 -0.330 29.391 1.00 5.12 H new ATOM 0 HE1 PHE A 27 1.292 -4.406 29.133 1.00 14.20 H new ATOM 0 HE2 PHE A 27 -0.036 -0.977 31.293 1.00 64.33 H new ATOM 0 HZ PHE A 27 1.336 -3.019 31.168 1.00 31.21 H new ATOM 422 N LYS A 28 -3.428 -2.802 29.378 1.00 34.04 N ATOM 423 CA LYS A 28 -3.524 -3.679 30.539 1.00 24.13 C ATOM 424 C LYS A 28 -4.716 -4.622 30.412 1.00 25.43 C ATOM 425 O LYS A 28 -4.615 -5.811 30.718 1.00 54.12 O ATOM 426 CB LYS A 28 -3.649 -2.852 31.821 1.00 41.54 C ATOM 427 CG LYS A 28 -3.730 -3.693 33.083 1.00 45.24 C ATOM 428 CD LYS A 28 -2.440 -4.460 33.325 1.00 52.50 C ATOM 429 CE LYS A 28 -2.034 -4.417 34.790 1.00 22.41 C ATOM 430 NZ LYS A 28 -0.558 -4.308 34.953 1.00 24.22 N ATOM 0 H LYS A 28 -3.543 -1.811 29.588 1.00 34.04 H new ATOM 0 HA LYS A 28 -2.614 -4.277 30.587 1.00 24.13 H new ATOM 0 HB2 LYS A 28 -2.793 -2.182 31.896 1.00 41.54 H new ATOM 0 HB3 LYS A 28 -4.539 -2.226 31.754 1.00 41.54 H new ATOM 0 HG2 LYS A 28 -3.938 -3.049 33.938 1.00 45.24 H new ATOM 0 HG3 LYS A 28 -4.561 -4.393 33.002 1.00 45.24 H new ATOM 0 HD2 LYS A 28 -2.567 -5.496 33.012 1.00 52.50 H new ATOM 0 HD3 LYS A 28 -1.643 -4.037 32.713 1.00 52.50 H new ATOM 0 HE2 LYS A 28 -2.517 -3.569 35.276 1.00 22.41 H new ATOM 0 HE3 LYS A 28 -2.389 -5.317 35.292 1.00 22.41 H new ATOM 0 HZ1 LYS A 28 -0.186 -5.195 35.348 1.00 24.22 H new ATOM 0 HZ2 LYS A 28 -0.119 -4.131 34.027 1.00 24.22 H new ATOM 0 HZ3 LYS A 28 -0.337 -3.522 35.597 1.00 24.22 H new ATOM 444 N LYS A 29 -5.843 -4.086 29.958 1.00 11.23 N ATOM 445 CA LYS A 29 -7.054 -4.880 29.788 1.00 53.43 C ATOM 446 C LYS A 29 -6.791 -6.090 28.897 1.00 2.33 C ATOM 447 O LYS A 29 -7.326 -7.174 29.132 1.00 63.21 O ATOM 448 CB LYS A 29 -8.170 -4.023 29.185 1.00 44.43 C ATOM 449 CG LYS A 29 -9.283 -3.695 30.165 1.00 64.20 C ATOM 450 CD LYS A 29 -8.749 -2.983 31.397 1.00 52.13 C ATOM 451 CE LYS A 29 -9.879 -2.481 32.283 1.00 43.41 C ATOM 452 NZ LYS A 29 -10.492 -3.581 33.076 1.00 34.25 N ATOM 0 H LYS A 29 -5.943 -3.104 29.701 1.00 11.23 H new ATOM 0 HA LYS A 29 -7.366 -5.235 30.770 1.00 53.43 H new ATOM 0 HB2 LYS A 29 -7.741 -3.093 28.811 1.00 44.43 H new ATOM 0 HB3 LYS A 29 -8.595 -4.545 28.328 1.00 44.43 H new ATOM 0 HG2 LYS A 29 -10.027 -3.067 29.675 1.00 64.20 H new ATOM 0 HG3 LYS A 29 -9.788 -4.613 30.465 1.00 64.20 H new ATOM 0 HD2 LYS A 29 -8.114 -3.663 31.965 1.00 52.13 H new ATOM 0 HD3 LYS A 29 -8.124 -2.144 31.092 1.00 52.13 H new ATOM 0 HE2 LYS A 29 -9.498 -1.715 32.958 1.00 43.41 H new ATOM 0 HE3 LYS A 29 -10.643 -2.009 31.665 1.00 43.41 H new ATOM 0 HZ1 LYS A 29 -11.258 -3.198 33.667 1.00 34.25 H new ATOM 0 HZ2 LYS A 29 -10.878 -4.300 32.431 1.00 34.25 H new ATOM 0 HZ3 LYS A 29 -9.769 -4.015 33.685 1.00 34.25 H new ATOM 466 N LEU A 30 -5.963 -5.898 27.876 1.00 21.03 N ATOM 467 CA LEU A 30 -5.627 -6.975 26.951 1.00 2.22 C ATOM 468 C LEU A 30 -4.645 -7.953 27.588 1.00 60.21 C ATOM 469 O LEU A 30 -4.895 -9.158 27.636 1.00 10.34 O ATOM 470 CB LEU A 30 -5.031 -6.401 25.665 1.00 43.04 C ATOM 471 CG LEU A 30 -5.371 -4.942 25.360 1.00 43.41 C ATOM 472 CD1 LEU A 30 -4.745 -4.511 24.042 1.00 25.55 C ATOM 473 CD2 LEU A 30 -6.879 -4.741 25.326 1.00 22.24 C ATOM 0 H LEU A 30 -5.512 -5.007 27.668 1.00 21.03 H new ATOM 0 HA LEU A 30 -6.543 -7.514 26.711 1.00 2.22 H new ATOM 0 HB2 LEU A 30 -3.946 -6.497 25.717 1.00 43.04 H new ATOM 0 HB3 LEU A 30 -5.366 -7.014 24.828 1.00 43.04 H new ATOM 0 HG LEU A 30 -4.959 -4.320 26.155 1.00 43.41 H new ATOM 0 HD11 LEU A 30 -4.998 -3.470 23.842 1.00 25.55 H new ATOM 0 HD12 LEU A 30 -3.662 -4.616 24.102 1.00 25.55 H new ATOM 0 HD13 LEU A 30 -5.126 -5.138 23.236 1.00 25.55 H new ATOM 0 HD21 LEU A 30 -7.102 -3.697 25.108 1.00 22.24 H new ATOM 0 HD22 LEU A 30 -7.313 -5.374 24.552 1.00 22.24 H new ATOM 0 HD23 LEU A 30 -7.304 -5.008 26.294 1.00 22.24 H new ATOM 485 N LYS A 31 -3.527 -7.427 28.077 1.00 33.24 N ATOM 486 CA LYS A 31 -2.508 -8.252 28.715 1.00 71.30 C ATOM 487 C LYS A 31 -3.089 -9.014 29.902 1.00 70.00 C ATOM 488 O LYS A 31 -2.600 -10.084 30.265 1.00 74.33 O ATOM 489 CB LYS A 31 -1.335 -7.384 29.177 1.00 74.31 C ATOM 490 CG LYS A 31 -0.688 -6.589 28.056 1.00 74.51 C ATOM 491 CD LYS A 31 -0.025 -7.501 27.037 1.00 1.12 C ATOM 492 CE LYS A 31 0.631 -6.704 25.920 1.00 3.12 C ATOM 493 NZ LYS A 31 1.596 -5.700 26.448 1.00 1.11 N ATOM 0 H LYS A 31 -3.304 -6.432 28.044 1.00 33.24 H new ATOM 0 HA LYS A 31 -2.150 -8.975 27.982 1.00 71.30 H new ATOM 0 HB2 LYS A 31 -1.685 -6.694 29.945 1.00 74.31 H new ATOM 0 HB3 LYS A 31 -0.582 -8.022 29.640 1.00 74.31 H new ATOM 0 HG2 LYS A 31 -1.442 -5.976 27.561 1.00 74.51 H new ATOM 0 HG3 LYS A 31 0.054 -5.908 28.473 1.00 74.51 H new ATOM 0 HD2 LYS A 31 0.724 -8.119 27.533 1.00 1.12 H new ATOM 0 HD3 LYS A 31 -0.768 -8.178 26.615 1.00 1.12 H new ATOM 0 HE2 LYS A 31 1.148 -7.385 25.244 1.00 3.12 H new ATOM 0 HE3 LYS A 31 -0.137 -6.197 25.336 1.00 3.12 H new ATOM 0 HZ1 LYS A 31 2.212 -5.372 25.677 1.00 1.11 H new ATOM 0 HZ2 LYS A 31 1.075 -4.891 26.843 1.00 1.11 H new ATOM 0 HZ3 LYS A 31 2.176 -6.135 27.194 1.00 1.11 H new ATOM 507 N PHE A 32 -4.135 -8.456 30.502 1.00 32.44 N ATOM 508 CA PHE A 32 -4.783 -9.084 31.648 1.00 10.23 C ATOM 509 C PHE A 32 -5.500 -10.366 31.234 1.00 43.55 C ATOM 510 O PHE A 32 -5.379 -11.398 31.893 1.00 71.31 O ATOM 511 CB PHE A 32 -5.778 -8.116 32.292 1.00 4.51 C ATOM 512 CG PHE A 32 -6.645 -8.755 33.338 1.00 14.01 C ATOM 513 CD1 PHE A 32 -6.172 -8.948 34.626 1.00 33.20 C ATOM 514 CD2 PHE A 32 -7.934 -9.162 33.034 1.00 71.44 C ATOM 515 CE1 PHE A 32 -6.969 -9.537 35.590 1.00 24.10 C ATOM 516 CE2 PHE A 32 -8.735 -9.752 33.994 1.00 52.43 C ATOM 517 CZ PHE A 32 -8.252 -9.938 35.274 1.00 61.11 C ATOM 0 H PHE A 32 -4.552 -7.571 30.214 1.00 32.44 H new ATOM 0 HA PHE A 32 -4.011 -9.339 32.374 1.00 10.23 H new ATOM 0 HB2 PHE A 32 -5.229 -7.289 32.742 1.00 4.51 H new ATOM 0 HB3 PHE A 32 -6.413 -7.691 31.515 1.00 4.51 H new ATOM 0 HD1 PHE A 32 -5.170 -8.635 34.880 1.00 33.20 H new ATOM 0 HD2 PHE A 32 -8.318 -9.017 32.035 1.00 71.44 H new ATOM 0 HE1 PHE A 32 -6.588 -9.683 36.590 1.00 24.10 H new ATOM 0 HE2 PHE A 32 -9.737 -10.067 33.743 1.00 52.43 H new ATOM 0 HZ PHE A 32 -8.876 -10.396 36.027 1.00 61.11 H new ATOM 527 N TYR A 33 -6.246 -10.290 30.137 1.00 21.42 N ATOM 528 CA TYR A 33 -6.985 -11.443 29.635 1.00 1.22 C ATOM 529 C TYR A 33 -6.196 -12.164 28.547 1.00 41.14 C ATOM 530 O TYR A 33 -5.936 -13.364 28.643 1.00 71.11 O ATOM 531 CB TYR A 33 -8.345 -11.005 29.090 1.00 50.44 C ATOM 532 CG TYR A 33 -9.515 -11.509 29.904 1.00 50.22 C ATOM 533 CD1 TYR A 33 -9.733 -12.871 30.073 1.00 1.45 C ATOM 534 CD2 TYR A 33 -10.403 -10.624 30.503 1.00 51.15 C ATOM 535 CE1 TYR A 33 -10.801 -13.336 30.816 1.00 61.11 C ATOM 536 CE2 TYR A 33 -11.473 -11.080 31.248 1.00 61.21 C ATOM 537 CZ TYR A 33 -11.668 -12.437 31.401 1.00 23.05 C ATOM 538 OH TYR A 33 -12.733 -12.896 32.142 1.00 10.30 O ATOM 0 H TYR A 33 -6.355 -9.443 29.579 1.00 21.42 H new ATOM 0 HA TYR A 33 -7.139 -12.133 30.464 1.00 1.22 H new ATOM 0 HB2 TYR A 33 -8.380 -9.916 29.056 1.00 50.44 H new ATOM 0 HB3 TYR A 33 -8.447 -11.360 28.064 1.00 50.44 H new ATOM 0 HD1 TYR A 33 -9.056 -13.578 29.616 1.00 1.45 H new ATOM 0 HD2 TYR A 33 -10.254 -9.561 30.384 1.00 51.15 H new ATOM 0 HE1 TYR A 33 -10.956 -14.398 30.938 1.00 61.11 H new ATOM 0 HE2 TYR A 33 -12.153 -10.378 31.708 1.00 61.21 H new ATOM 0 HH TYR A 33 -13.245 -12.134 32.486 1.00 10.30 H new ATOM 548 N LEU A 34 -5.817 -11.423 27.511 1.00 22.11 N ATOM 549 CA LEU A 34 -5.056 -11.990 26.403 1.00 52.23 C ATOM 550 C LEU A 34 -3.820 -12.725 26.910 1.00 4.42 C ATOM 551 O LEU A 34 -3.636 -13.912 26.640 1.00 13.40 O ATOM 552 CB LEU A 34 -4.643 -10.888 25.426 1.00 53.35 C ATOM 553 CG LEU A 34 -5.064 -11.090 23.969 1.00 11.54 C ATOM 554 CD1 LEU A 34 -4.533 -12.412 23.439 1.00 42.14 C ATOM 555 CD2 LEU A 34 -6.579 -11.030 23.839 1.00 71.41 C ATOM 0 H LEU A 34 -6.024 -10.429 27.415 1.00 22.11 H new ATOM 0 HA LEU A 34 -5.694 -12.706 25.885 1.00 52.23 H new ATOM 0 HB2 LEU A 34 -5.061 -9.944 25.776 1.00 53.35 H new ATOM 0 HB3 LEU A 34 -3.558 -10.788 25.459 1.00 53.35 H new ATOM 0 HG LEU A 34 -4.636 -10.285 23.372 1.00 11.54 H new ATOM 0 HD11 LEU A 34 -4.842 -12.539 22.401 1.00 42.14 H new ATOM 0 HD12 LEU A 34 -3.445 -12.416 23.496 1.00 42.14 H new ATOM 0 HD13 LEU A 34 -4.931 -13.231 24.039 1.00 42.14 H new ATOM 0 HD21 LEU A 34 -6.861 -11.176 22.796 1.00 71.41 H new ATOM 0 HD22 LEU A 34 -7.028 -11.814 24.449 1.00 71.41 H new ATOM 0 HD23 LEU A 34 -6.935 -10.057 24.179 1.00 71.41 H new ATOM 567 N ARG A 35 -2.975 -12.012 27.648 1.00 14.55 N ATOM 568 CA ARG A 35 -1.757 -12.596 28.195 1.00 63.21 C ATOM 569 C ARG A 35 -2.085 -13.698 29.198 1.00 62.52 C ATOM 570 O ARG A 35 -1.341 -14.671 29.332 1.00 14.41 O ATOM 571 CB ARG A 35 -0.905 -11.518 28.867 1.00 50.42 C ATOM 572 CG ARG A 35 0.564 -11.574 28.481 1.00 2.23 C ATOM 573 CD ARG A 35 1.444 -11.878 29.684 1.00 43.44 C ATOM 574 NE ARG A 35 2.189 -10.702 30.128 1.00 71.42 N ATOM 575 CZ ARG A 35 3.153 -10.745 31.041 1.00 54.10 C ATOM 576 NH1 ARG A 35 3.487 -11.898 31.603 1.00 22.04 N ATOM 577 NH2 ARG A 35 3.784 -9.632 31.393 1.00 64.31 N ATOM 0 H ARG A 35 -3.112 -11.028 27.881 1.00 14.55 H new ATOM 0 HA ARG A 35 -1.193 -13.034 27.371 1.00 63.21 H new ATOM 0 HB2 ARG A 35 -1.303 -10.537 28.606 1.00 50.42 H new ATOM 0 HB3 ARG A 35 -0.992 -11.620 29.949 1.00 50.42 H new ATOM 0 HG2 ARG A 35 0.712 -12.338 27.718 1.00 2.23 H new ATOM 0 HG3 ARG A 35 0.863 -10.622 28.041 1.00 2.23 H new ATOM 0 HD2 ARG A 35 0.825 -12.245 30.502 1.00 43.44 H new ATOM 0 HD3 ARG A 35 2.143 -12.675 29.430 1.00 43.44 H new ATOM 0 HE ARG A 35 1.956 -9.799 29.714 1.00 71.42 H new ATOM 0 HH11 ARG A 35 3.003 -12.755 31.335 1.00 22.04 H new ATOM 0 HH12 ARG A 35 4.228 -11.928 32.304 1.00 22.04 H new ATOM 0 HH21 ARG A 35 3.529 -8.743 30.963 1.00 64.31 H new ATOM 0 HH22 ARG A 35 4.524 -9.665 32.094 1.00 64.31 H new ATOM 591 N ASP A 36 -3.201 -13.539 29.899 1.00 35.34 N ATOM 592 CA ASP A 36 -3.629 -14.521 30.890 1.00 44.22 C ATOM 593 C ASP A 36 -3.615 -15.928 30.301 1.00 32.11 C ATOM 594 O ASP A 36 -3.033 -16.847 30.877 1.00 44.42 O ATOM 595 CB ASP A 36 -5.029 -14.183 31.403 1.00 11.32 C ATOM 596 CG ASP A 36 -5.045 -13.887 32.890 1.00 41.40 C ATOM 597 OD1 ASP A 36 -4.019 -13.399 33.408 1.00 0.22 O ATOM 598 OD2 ASP A 36 -6.083 -14.143 33.536 1.00 61.45 O ATOM 0 H ASP A 36 -3.827 -12.740 29.800 1.00 35.34 H new ATOM 0 HA ASP A 36 -2.928 -14.489 31.724 1.00 44.22 H new ATOM 0 HB2 ASP A 36 -5.413 -13.320 30.860 1.00 11.32 H new ATOM 0 HB3 ASP A 36 -5.700 -15.016 31.194 1.00 11.32 H new ATOM 603 N MET A 37 -4.262 -16.089 29.151 1.00 20.24 N ATOM 604 CA MET A 37 -4.324 -17.385 28.485 1.00 40.10 C ATOM 605 C MET A 37 -3.130 -17.576 27.555 1.00 51.52 C ATOM 606 O MET A 37 -2.289 -18.447 27.777 1.00 21.04 O ATOM 607 CB MET A 37 -5.627 -17.514 27.694 1.00 12.31 C ATOM 608 CG MET A 37 -6.753 -18.167 28.480 1.00 42.33 C ATOM 609 SD MET A 37 -7.560 -19.494 27.564 1.00 52.41 S ATOM 610 CE MET A 37 -8.783 -20.032 28.756 1.00 32.54 C ATOM 0 H MET A 37 -4.750 -15.339 28.662 1.00 20.24 H new ATOM 0 HA MET A 37 -4.294 -18.161 29.250 1.00 40.10 H new ATOM 0 HB2 MET A 37 -5.947 -16.523 27.372 1.00 12.31 H new ATOM 0 HB3 MET A 37 -5.439 -18.097 26.792 1.00 12.31 H new ATOM 0 HG2 MET A 37 -6.356 -18.565 29.414 1.00 42.33 H new ATOM 0 HG3 MET A 37 -7.493 -17.411 28.744 1.00 42.33 H new ATOM 0 HE1 MET A 37 -9.365 -20.852 28.335 1.00 32.54 H new ATOM 0 HE2 MET A 37 -8.283 -20.370 29.663 1.00 32.54 H new ATOM 0 HE3 MET A 37 -9.447 -19.202 28.996 1.00 32.54 H new ATOM 620 N THR A 38 -3.062 -16.755 26.511 1.00 62.11 N ATOM 621 CA THR A 38 -1.972 -16.835 25.546 1.00 11.44 C ATOM 622 C THR A 38 -0.626 -16.975 26.248 1.00 50.00 C ATOM 623 O THR A 38 0.263 -17.682 25.772 1.00 61.21 O ATOM 624 CB THR A 38 -1.936 -15.593 24.636 1.00 53.15 C ATOM 625 OG1 THR A 38 -1.566 -14.438 25.396 1.00 13.34 O ATOM 626 CG2 THR A 38 -3.290 -15.363 23.981 1.00 51.11 C ATOM 0 H THR A 38 -3.749 -16.027 26.312 1.00 62.11 H new ATOM 0 HA THR A 38 -2.154 -17.719 24.935 1.00 11.44 H new ATOM 0 HB THR A 38 -1.196 -15.764 23.854 1.00 53.15 H new ATOM 0 HG1 THR A 38 -2.174 -14.339 26.158 1.00 13.34 H new ATOM 0 HG21 THR A 38 -3.240 -14.481 23.343 1.00 51.11 H new ATOM 0 HG22 THR A 38 -3.555 -16.232 23.379 1.00 51.11 H new ATOM 0 HG23 THR A 38 -4.046 -15.212 24.752 1.00 51.11 H new ATOM 634 N LEU A 39 -0.482 -16.298 27.382 1.00 61.30 N ATOM 635 CA LEU A 39 0.757 -16.348 28.151 1.00 70.34 C ATOM 636 C LEU A 39 0.487 -16.767 29.592 1.00 32.12 C ATOM 637 O LEU A 39 -0.652 -17.048 29.964 1.00 33.14 O ATOM 638 CB LEU A 39 1.452 -14.986 28.125 1.00 15.40 C ATOM 639 CG LEU A 39 2.346 -14.711 26.916 1.00 50.23 C ATOM 640 CD1 LEU A 39 1.604 -13.880 25.881 1.00 52.52 C ATOM 641 CD2 LEU A 39 3.626 -14.010 27.347 1.00 11.23 C ATOM 0 H LEU A 39 -1.208 -15.708 27.789 1.00 61.30 H new ATOM 0 HA LEU A 39 1.410 -17.091 27.693 1.00 70.34 H new ATOM 0 HB2 LEU A 39 0.688 -14.210 28.171 1.00 15.40 H new ATOM 0 HB3 LEU A 39 2.056 -14.892 29.027 1.00 15.40 H new ATOM 0 HG LEU A 39 2.613 -15.665 26.462 1.00 50.23 H new ATOM 0 HD11 LEU A 39 2.256 -13.694 25.028 1.00 52.52 H new ATOM 0 HD12 LEU A 39 0.717 -14.420 25.549 1.00 52.52 H new ATOM 0 HD13 LEU A 39 1.306 -12.929 26.323 1.00 52.52 H new ATOM 0 HD21 LEU A 39 4.250 -13.822 26.473 1.00 11.23 H new ATOM 0 HD22 LEU A 39 3.378 -13.063 27.826 1.00 11.23 H new ATOM 0 HD23 LEU A 39 4.168 -14.642 28.051 1.00 11.23 H new ATOM 653 N SER A 40 1.542 -16.805 30.400 1.00 51.42 N ATOM 654 CA SER A 40 1.419 -17.191 31.801 1.00 40.54 C ATOM 655 C SER A 40 1.344 -15.959 32.699 1.00 64.43 C ATOM 656 O SER A 40 1.573 -14.837 32.250 1.00 11.30 O ATOM 657 CB SER A 40 2.602 -18.068 32.216 1.00 52.44 C ATOM 658 OG SER A 40 2.177 -19.140 33.039 1.00 4.12 O ATOM 0 H SER A 40 2.492 -16.573 30.108 1.00 51.42 H new ATOM 0 HA SER A 40 0.496 -17.760 31.916 1.00 40.54 H new ATOM 0 HB2 SER A 40 3.097 -18.461 31.328 1.00 52.44 H new ATOM 0 HB3 SER A 40 3.337 -17.465 32.749 1.00 52.44 H new ATOM 0 HG SER A 40 2.951 -19.687 33.289 1.00 4.12 H new ATOM 664 N GLU A 41 1.023 -16.180 33.970 1.00 72.25 N ATOM 665 CA GLU A 41 0.917 -15.089 34.931 1.00 40.12 C ATOM 666 C GLU A 41 2.284 -14.467 35.201 1.00 24.50 C ATOM 667 O GLU A 41 3.272 -14.807 34.551 1.00 21.32 O ATOM 668 CB GLU A 41 0.305 -15.591 36.240 1.00 11.43 C ATOM 669 CG GLU A 41 1.153 -16.634 36.948 1.00 32.01 C ATOM 670 CD GLU A 41 1.085 -16.514 38.458 1.00 4.12 C ATOM 671 OE1 GLU A 41 1.607 -15.515 38.997 1.00 20.21 O ATOM 672 OE2 GLU A 41 0.512 -17.418 39.101 1.00 52.21 O ATOM 0 H GLU A 41 0.832 -17.104 34.358 1.00 72.25 H new ATOM 0 HA GLU A 41 0.267 -14.325 34.504 1.00 40.12 H new ATOM 0 HB2 GLU A 41 0.153 -14.744 36.909 1.00 11.43 H new ATOM 0 HB3 GLU A 41 -0.678 -16.014 36.033 1.00 11.43 H new ATOM 0 HG2 GLU A 41 0.821 -17.629 36.651 1.00 32.01 H new ATOM 0 HG3 GLU A 41 2.189 -16.534 36.626 1.00 32.01 H new ATOM 679 N GLY A 42 2.332 -13.553 36.166 1.00 65.45 N ATOM 680 CA GLY A 42 3.582 -12.898 36.505 1.00 61.22 C ATOM 681 C GLY A 42 3.478 -11.387 36.449 1.00 0.03 C ATOM 682 O GLY A 42 4.075 -10.688 37.267 1.00 14.44 O ATOM 0 H GLY A 42 1.528 -13.255 36.718 1.00 65.45 H new ATOM 0 HA2 GLY A 42 3.888 -13.201 37.506 1.00 61.22 H new ATOM 0 HA3 GLY A 42 4.361 -13.231 35.819 1.00 61.22 H new ATOM 686 N GLN A 43 2.720 -10.883 35.481 1.00 11.30 N ATOM 687 CA GLN A 43 2.542 -9.444 35.321 1.00 25.31 C ATOM 688 C GLN A 43 1.837 -8.845 36.533 1.00 5.32 C ATOM 689 O GLN A 43 1.069 -9.511 37.227 1.00 2.35 O ATOM 690 CB GLN A 43 1.743 -9.146 34.052 1.00 53.23 C ATOM 691 CG GLN A 43 0.256 -9.434 34.187 1.00 3.24 C ATOM 692 CD GLN A 43 -0.515 -9.129 32.919 1.00 73.25 C ATOM 693 OE1 GLN A 43 -0.788 -10.021 32.115 1.00 61.33 O ATOM 694 NE2 GLN A 43 -0.872 -7.864 32.732 1.00 54.02 N ATOM 0 H GLN A 43 2.219 -11.449 34.796 1.00 11.30 H new ATOM 0 HA GLN A 43 3.528 -8.988 35.236 1.00 25.31 H new ATOM 0 HB2 GLN A 43 1.879 -8.098 33.785 1.00 53.23 H new ATOM 0 HB3 GLN A 43 2.146 -9.739 33.231 1.00 53.23 H new ATOM 0 HG2 GLN A 43 0.115 -10.482 34.450 1.00 3.24 H new ATOM 0 HG3 GLN A 43 -0.152 -8.842 35.007 1.00 3.24 H new ATOM 0 HE21 GLN A 43 -0.625 -7.157 33.424 1.00 54.02 H new ATOM 0 HE22 GLN A 43 -1.393 -7.599 31.896 1.00 54.02 H new ATOM 703 N PRO A 44 2.104 -7.557 36.796 1.00 55.41 N ATOM 704 CA PRO A 44 1.504 -6.839 37.925 1.00 43.31 C ATOM 705 C PRO A 44 0.012 -6.592 37.729 1.00 63.20 C ATOM 706 O PRO A 44 -0.507 -6.631 36.613 1.00 24.32 O ATOM 707 CB PRO A 44 2.267 -5.512 37.947 1.00 42.24 C ATOM 708 CG PRO A 44 2.738 -5.323 36.546 1.00 43.30 C ATOM 709 CD PRO A 44 3.009 -6.701 36.011 1.00 64.54 C ATOM 0 HA PRO A 44 1.578 -7.405 38.853 1.00 43.31 H new ATOM 0 HB2 PRO A 44 1.624 -4.691 38.263 1.00 42.24 H new ATOM 0 HB3 PRO A 44 3.104 -5.548 38.645 1.00 42.24 H new ATOM 0 HG2 PRO A 44 1.984 -4.813 35.946 1.00 43.30 H new ATOM 0 HG3 PRO A 44 3.638 -4.709 36.516 1.00 43.30 H new ATOM 0 HD2 PRO A 44 2.798 -6.766 34.944 1.00 64.54 H new ATOM 0 HD3 PRO A 44 4.052 -6.987 36.148 1.00 64.54 H new ATOM 717 N PRO A 45 -0.696 -6.332 38.838 1.00 42.31 N ATOM 718 CA PRO A 45 -2.138 -6.073 38.813 1.00 14.43 C ATOM 719 C PRO A 45 -2.476 -4.734 38.165 1.00 31.31 C ATOM 720 O PRO A 45 -1.592 -4.026 37.681 1.00 23.44 O ATOM 721 CB PRO A 45 -2.522 -6.061 40.295 1.00 31.11 C ATOM 722 CG PRO A 45 -1.269 -5.685 41.008 1.00 71.21 C ATOM 723 CD PRO A 45 -0.143 -6.269 40.201 1.00 24.42 C ATOM 0 HA PRO A 45 -2.675 -6.817 38.225 1.00 14.43 H new ATOM 0 HB2 PRO A 45 -3.320 -5.344 40.491 1.00 31.11 H new ATOM 0 HB3 PRO A 45 -2.884 -7.037 40.618 1.00 31.11 H new ATOM 0 HG2 PRO A 45 -1.173 -4.602 41.085 1.00 71.21 H new ATOM 0 HG3 PRO A 45 -1.265 -6.078 42.025 1.00 71.21 H new ATOM 0 HD2 PRO A 45 0.749 -5.644 40.244 1.00 24.42 H new ATOM 0 HD3 PRO A 45 0.142 -7.256 40.565 1.00 24.42 H new ATOM 731 N LEU A 46 -3.760 -4.392 38.159 1.00 63.51 N ATOM 732 CA LEU A 46 -4.214 -3.138 37.570 1.00 15.53 C ATOM 733 C LEU A 46 -3.454 -1.953 38.159 1.00 75.13 C ATOM 734 O LEU A 46 -3.517 -1.698 39.361 1.00 73.21 O ATOM 735 CB LEU A 46 -5.716 -2.959 37.799 1.00 54.10 C ATOM 736 CG LEU A 46 -6.636 -3.653 36.793 1.00 3.13 C ATOM 737 CD1 LEU A 46 -6.363 -3.149 35.385 1.00 53.33 C ATOM 738 CD2 LEU A 46 -6.461 -5.163 36.864 1.00 4.24 C ATOM 0 H LEU A 46 -4.504 -4.966 38.555 1.00 63.51 H new ATOM 0 HA LEU A 46 -4.017 -3.176 36.499 1.00 15.53 H new ATOM 0 HB2 LEU A 46 -5.958 -3.327 38.796 1.00 54.10 H new ATOM 0 HB3 LEU A 46 -5.940 -1.892 37.790 1.00 54.10 H new ATOM 0 HG LEU A 46 -7.668 -3.414 37.049 1.00 3.13 H new ATOM 0 HD11 LEU A 46 -7.027 -3.654 34.683 1.00 53.33 H new ATOM 0 HD12 LEU A 46 -6.540 -2.074 35.343 1.00 53.33 H new ATOM 0 HD13 LEU A 46 -5.327 -3.357 35.119 1.00 53.33 H new ATOM 0 HD21 LEU A 46 -7.123 -5.640 36.142 1.00 4.24 H new ATOM 0 HD22 LEU A 46 -5.427 -5.421 36.634 1.00 4.24 H new ATOM 0 HD23 LEU A 46 -6.707 -5.511 37.867 1.00 4.24 H new ATOM 750 N ALA A 47 -2.739 -1.232 37.302 1.00 4.34 N ATOM 751 CA ALA A 47 -1.970 -0.072 37.737 1.00 51.34 C ATOM 752 C ALA A 47 -1.782 0.921 36.595 1.00 53.25 C ATOM 753 O ALA A 47 -1.293 0.564 35.523 1.00 73.42 O ATOM 754 CB ALA A 47 -0.620 -0.508 38.286 1.00 32.52 C ATOM 0 H ALA A 47 -2.676 -1.430 36.303 1.00 4.34 H new ATOM 0 HA ALA A 47 -2.528 0.426 38.530 1.00 51.34 H new ATOM 0 HB1 ALA A 47 -0.057 0.369 38.607 1.00 32.52 H new ATOM 0 HB2 ALA A 47 -0.771 -1.173 39.136 1.00 32.52 H new ATOM 0 HB3 ALA A 47 -0.063 -1.032 37.509 1.00 32.52 H new ATOM 760 N ARG A 48 -2.174 2.169 36.831 1.00 75.22 N ATOM 761 CA ARG A 48 -2.051 3.213 35.821 1.00 61.24 C ATOM 762 C ARG A 48 -0.593 3.628 35.643 1.00 32.23 C ATOM 763 O ARG A 48 -0.218 4.189 34.615 1.00 3.21 O ATOM 764 CB ARG A 48 -2.895 4.429 36.207 1.00 30.42 C ATOM 765 CG ARG A 48 -2.561 5.680 35.412 1.00 62.13 C ATOM 766 CD ARG A 48 -3.782 6.569 35.232 1.00 24.35 C ATOM 767 NE ARG A 48 -4.073 7.348 36.433 1.00 25.31 N ATOM 768 CZ ARG A 48 -3.370 8.411 36.807 1.00 1.13 C ATOM 769 NH1 ARG A 48 -2.341 8.820 36.078 1.00 51.20 N ATOM 770 NH2 ARG A 48 -3.697 9.068 37.913 1.00 25.00 N ATOM 0 H ARG A 48 -2.580 2.482 37.713 1.00 75.22 H new ATOM 0 HA ARG A 48 -2.415 2.813 34.875 1.00 61.24 H new ATOM 0 HB2 ARG A 48 -3.949 4.189 36.065 1.00 30.42 H new ATOM 0 HB3 ARG A 48 -2.756 4.635 37.268 1.00 30.42 H new ATOM 0 HG2 ARG A 48 -1.776 6.238 35.922 1.00 62.13 H new ATOM 0 HG3 ARG A 48 -2.168 5.398 34.435 1.00 62.13 H new ATOM 0 HD2 ARG A 48 -3.618 7.245 34.392 1.00 24.35 H new ATOM 0 HD3 ARG A 48 -4.645 5.953 34.981 1.00 24.35 H new ATOM 0 HE ARG A 48 -4.859 7.060 37.016 1.00 25.31 H new ATOM 0 HH11 ARG A 48 -2.087 8.318 35.227 1.00 51.20 H new ATOM 0 HH12 ARG A 48 -1.803 9.637 36.368 1.00 51.20 H new ATOM 0 HH21 ARG A 48 -4.488 8.757 38.476 1.00 25.00 H new ATOM 0 HH22 ARG A 48 -3.157 9.884 38.200 1.00 25.00 H new ATOM 784 N GLY A 49 0.224 3.348 36.654 1.00 31.51 N ATOM 785 CA GLY A 49 1.630 3.699 36.590 1.00 4.24 C ATOM 786 C GLY A 49 2.437 2.718 35.763 1.00 34.54 C ATOM 787 O GLY A 49 3.641 2.892 35.582 1.00 1.11 O ATOM 0 H GLY A 49 -0.063 2.884 37.516 1.00 31.51 H new ATOM 0 HA2 GLY A 49 1.733 4.698 36.165 1.00 4.24 H new ATOM 0 HA3 GLY A 49 2.037 3.739 37.600 1.00 4.24 H new ATOM 791 N GLU A 50 1.771 1.682 35.262 1.00 20.42 N ATOM 792 CA GLU A 50 2.435 0.667 34.452 1.00 3.32 C ATOM 793 C GLU A 50 2.825 1.229 33.088 1.00 13.50 C ATOM 794 O GLU A 50 3.977 1.122 32.665 1.00 35.31 O ATOM 795 CB GLU A 50 1.526 -0.550 34.274 1.00 62.44 C ATOM 796 CG GLU A 50 2.075 -1.818 34.907 1.00 40.12 C ATOM 797 CD GLU A 50 2.653 -1.577 36.288 1.00 34.10 C ATOM 798 OE1 GLU A 50 2.173 -0.653 36.978 1.00 43.22 O ATOM 799 OE2 GLU A 50 3.583 -2.312 36.679 1.00 62.10 O ATOM 0 H GLU A 50 0.773 1.524 35.403 1.00 20.42 H new ATOM 0 HA GLU A 50 3.343 0.360 34.972 1.00 3.32 H new ATOM 0 HB2 GLU A 50 0.550 -0.331 34.708 1.00 62.44 H new ATOM 0 HB3 GLU A 50 1.370 -0.724 33.209 1.00 62.44 H new ATOM 0 HG2 GLU A 50 1.279 -2.560 34.975 1.00 40.12 H new ATOM 0 HG3 GLU A 50 2.847 -2.237 34.262 1.00 40.12 H new ATOM 806 N LEU A 51 1.857 1.829 32.404 1.00 54.02 N ATOM 807 CA LEU A 51 2.097 2.408 31.087 1.00 55.44 C ATOM 808 C LEU A 51 2.513 3.871 31.203 1.00 51.22 C ATOM 809 O LEU A 51 3.517 4.288 30.626 1.00 74.13 O ATOM 810 CB LEU A 51 0.842 2.291 30.220 1.00 73.22 C ATOM 811 CG LEU A 51 1.070 2.271 28.708 1.00 53.11 C ATOM 812 CD1 LEU A 51 -0.242 2.045 27.973 1.00 14.11 C ATOM 813 CD2 LEU A 51 1.723 3.567 28.250 1.00 22.02 C ATOM 0 H LEU A 51 0.899 1.927 32.740 1.00 54.02 H new ATOM 0 HA LEU A 51 2.909 1.854 30.617 1.00 55.44 H new ATOM 0 HB2 LEU A 51 0.315 1.379 30.500 1.00 73.22 H new ATOM 0 HB3 LEU A 51 0.182 3.126 30.457 1.00 73.22 H new ATOM 0 HG LEU A 51 1.742 1.446 28.472 1.00 53.11 H new ATOM 0 HD11 LEU A 51 -0.060 2.034 26.898 1.00 14.11 H new ATOM 0 HD12 LEU A 51 -0.670 1.090 28.278 1.00 14.11 H new ATOM 0 HD13 LEU A 51 -0.938 2.849 28.215 1.00 14.11 H new ATOM 0 HD21 LEU A 51 1.878 3.535 27.172 1.00 22.02 H new ATOM 0 HD22 LEU A 51 1.076 4.408 28.499 1.00 22.02 H new ATOM 0 HD23 LEU A 51 2.684 3.687 28.751 1.00 22.02 H new ATOM 825 N GLU A 52 1.736 4.645 31.955 1.00 74.45 N ATOM 826 CA GLU A 52 2.025 6.061 32.147 1.00 25.41 C ATOM 827 C GLU A 52 3.227 6.250 33.068 1.00 23.42 C ATOM 828 O GLU A 52 4.197 6.919 32.713 1.00 75.23 O ATOM 829 CB GLU A 52 0.806 6.779 32.728 1.00 11.20 C ATOM 830 CG GLU A 52 1.097 8.197 33.189 1.00 5.32 C ATOM 831 CD GLU A 52 0.031 9.183 32.754 1.00 15.23 C ATOM 832 OE1 GLU A 52 -1.167 8.847 32.860 1.00 73.23 O ATOM 833 OE2 GLU A 52 0.394 10.292 32.309 1.00 63.34 O ATOM 0 H GLU A 52 0.902 4.315 32.441 1.00 74.45 H new ATOM 0 HA GLU A 52 2.262 6.493 31.175 1.00 25.41 H new ATOM 0 HB2 GLU A 52 0.018 6.805 31.976 1.00 11.20 H new ATOM 0 HB3 GLU A 52 0.423 6.203 33.571 1.00 11.20 H new ATOM 0 HG2 GLU A 52 1.178 8.212 34.276 1.00 5.32 H new ATOM 0 HG3 GLU A 52 2.062 8.513 32.793 1.00 5.32 H new ATOM 840 N GLY A 53 3.155 5.655 34.255 1.00 24.42 N ATOM 841 CA GLY A 53 4.243 5.769 35.210 1.00 55.54 C ATOM 842 C GLY A 53 5.575 5.345 34.625 1.00 71.23 C ATOM 843 O GLY A 53 6.528 6.125 34.600 1.00 55.24 O ATOM 0 H GLY A 53 2.363 5.096 34.573 1.00 24.42 H new ATOM 0 HA2 GLY A 53 4.313 6.801 35.555 1.00 55.54 H new ATOM 0 HA3 GLY A 53 4.021 5.155 36.083 1.00 55.54 H new ATOM 847 N LEU A 54 5.644 4.104 34.154 1.00 2.35 N ATOM 848 CA LEU A 54 6.871 3.576 33.568 1.00 30.21 C ATOM 849 C LEU A 54 6.947 3.901 32.080 1.00 44.31 C ATOM 850 O LEU A 54 6.217 4.760 31.584 1.00 2.01 O ATOM 851 CB LEU A 54 6.948 2.062 33.775 1.00 13.23 C ATOM 852 CG LEU A 54 6.914 1.581 35.226 1.00 23.23 C ATOM 853 CD1 LEU A 54 5.865 0.494 35.404 1.00 1.42 C ATOM 854 CD2 LEU A 54 8.285 1.076 35.652 1.00 22.14 C ATOM 0 H LEU A 54 4.865 3.445 34.167 1.00 2.35 H new ATOM 0 HA LEU A 54 7.716 4.049 34.068 1.00 30.21 H new ATOM 0 HB2 LEU A 54 6.118 1.600 33.240 1.00 13.23 H new ATOM 0 HB3 LEU A 54 7.866 1.699 33.314 1.00 13.23 H new ATOM 0 HG LEU A 54 6.645 2.424 35.862 1.00 23.23 H new ATOM 0 HD11 LEU A 54 5.855 0.164 36.443 1.00 1.42 H new ATOM 0 HD12 LEU A 54 4.884 0.888 35.139 1.00 1.42 H new ATOM 0 HD13 LEU A 54 6.103 -0.351 34.757 1.00 1.42 H new ATOM 0 HD21 LEU A 54 8.243 0.738 36.687 1.00 22.14 H new ATOM 0 HD22 LEU A 54 8.582 0.246 35.011 1.00 22.14 H new ATOM 0 HD23 LEU A 54 9.013 1.882 35.563 1.00 22.14 H new ATOM 866 N ILE A 55 7.834 3.209 31.373 1.00 71.32 N ATOM 867 CA ILE A 55 8.003 3.422 29.941 1.00 53.11 C ATOM 868 C ILE A 55 7.782 2.129 29.163 1.00 51.43 C ATOM 869 O ILE A 55 7.833 1.029 29.712 1.00 60.43 O ATOM 870 CB ILE A 55 9.404 3.971 29.615 1.00 42.31 C ATOM 871 CG1 ILE A 55 10.478 3.139 30.318 1.00 23.11 C ATOM 872 CG2 ILE A 55 9.508 5.433 30.023 1.00 41.35 C ATOM 873 CD1 ILE A 55 11.847 3.782 30.304 1.00 41.51 C ATOM 0 H ILE A 55 8.447 2.496 31.769 1.00 71.32 H new ATOM 0 HA ILE A 55 7.255 4.156 29.641 1.00 53.11 H new ATOM 0 HB ILE A 55 9.564 3.902 28.539 1.00 42.31 H new ATOM 0 HG12 ILE A 55 10.176 2.969 31.351 1.00 23.11 H new ATOM 0 HG13 ILE A 55 10.540 2.162 29.839 1.00 23.11 H new ATOM 0 HG21 ILE A 55 10.504 5.807 29.786 1.00 41.35 H new ATOM 0 HG22 ILE A 55 8.763 6.016 29.481 1.00 41.35 H new ATOM 0 HG23 ILE A 55 9.331 5.525 31.095 1.00 41.35 H new ATOM 0 HD11 ILE A 55 12.558 3.136 30.820 1.00 41.51 H new ATOM 0 HD12 ILE A 55 12.170 3.927 29.273 1.00 41.51 H new ATOM 0 HD13 ILE A 55 11.801 4.747 30.809 1.00 41.51 H new ATOM 885 N PRO A 56 7.532 2.263 27.852 1.00 51.43 N ATOM 886 CA PRO A 56 7.301 1.116 26.969 1.00 54.43 C ATOM 887 C PRO A 56 8.565 0.294 26.743 1.00 11.14 C ATOM 888 O PRO A 56 8.521 -0.936 26.717 1.00 41.10 O ATOM 889 CB PRO A 56 6.843 1.763 25.659 1.00 2.50 C ATOM 890 CG PRO A 56 7.435 3.130 25.685 1.00 12.51 C ATOM 891 CD PRO A 56 7.456 3.545 27.130 1.00 22.04 C ATOM 0 HA PRO A 56 6.579 0.417 27.391 1.00 54.43 H new ATOM 0 HB2 PRO A 56 7.191 1.197 24.795 1.00 2.50 H new ATOM 0 HB3 PRO A 56 5.756 1.804 25.596 1.00 2.50 H new ATOM 0 HG2 PRO A 56 8.441 3.128 25.265 1.00 12.51 H new ATOM 0 HG3 PRO A 56 6.842 3.823 25.088 1.00 12.51 H new ATOM 0 HD2 PRO A 56 8.311 4.183 27.353 1.00 22.04 H new ATOM 0 HD3 PRO A 56 6.561 4.106 27.400 1.00 22.04 H new ATOM 899 N VAL A 57 9.691 0.981 26.582 1.00 43.23 N ATOM 900 CA VAL A 57 10.969 0.314 26.360 1.00 13.03 C ATOM 901 C VAL A 57 11.361 -0.536 27.564 1.00 53.23 C ATOM 902 O VAL A 57 12.187 -1.442 27.454 1.00 2.31 O ATOM 903 CB VAL A 57 12.091 1.330 26.076 1.00 53.12 C ATOM 904 CG1 VAL A 57 13.423 0.619 25.898 1.00 62.53 C ATOM 905 CG2 VAL A 57 11.755 2.165 24.849 1.00 34.14 C ATOM 0 H VAL A 57 9.745 1.999 26.601 1.00 43.23 H new ATOM 0 HA VAL A 57 10.843 -0.330 25.489 1.00 13.03 H new ATOM 0 HB VAL A 57 12.176 2.000 26.932 1.00 53.12 H new ATOM 0 HG11 VAL A 57 14.203 1.353 25.698 1.00 62.53 H new ATOM 0 HG12 VAL A 57 13.666 0.069 26.807 1.00 62.53 H new ATOM 0 HG13 VAL A 57 13.356 -0.076 25.061 1.00 62.53 H new ATOM 0 HG21 VAL A 57 12.558 2.878 24.663 1.00 34.14 H new ATOM 0 HG22 VAL A 57 11.642 1.511 23.984 1.00 34.14 H new ATOM 0 HG23 VAL A 57 10.824 2.705 25.020 1.00 34.14 H new ATOM 915 N ASP A 58 10.762 -0.238 28.711 1.00 11.14 N ATOM 916 CA ASP A 58 11.047 -0.976 29.937 1.00 50.34 C ATOM 917 C ASP A 58 10.059 -2.123 30.122 1.00 12.05 C ATOM 918 O ASP A 58 10.451 -3.289 30.194 1.00 14.42 O ATOM 919 CB ASP A 58 10.994 -0.040 31.145 1.00 11.30 C ATOM 920 CG ASP A 58 12.282 0.737 31.333 1.00 43.02 C ATOM 921 OD1 ASP A 58 13.139 0.692 30.426 1.00 64.41 O ATOM 922 OD2 ASP A 58 12.434 1.390 32.387 1.00 71.41 O ATOM 0 H ASP A 58 10.076 0.509 28.818 1.00 11.14 H new ATOM 0 HA ASP A 58 12.050 -1.394 29.856 1.00 50.34 H new ATOM 0 HB2 ASP A 58 10.166 0.659 31.023 1.00 11.30 H new ATOM 0 HB3 ASP A 58 10.790 -0.622 32.043 1.00 11.30 H new ATOM 927 N LEU A 59 8.776 -1.785 30.201 1.00 64.42 N ATOM 928 CA LEU A 59 7.731 -2.787 30.380 1.00 61.25 C ATOM 929 C LEU A 59 7.762 -3.813 29.251 1.00 32.45 C ATOM 930 O LEU A 59 7.490 -4.994 29.466 1.00 62.41 O ATOM 931 CB LEU A 59 6.358 -2.116 30.436 1.00 11.51 C ATOM 932 CG LEU A 59 5.371 -2.512 29.338 1.00 70.15 C ATOM 933 CD1 LEU A 59 3.945 -2.199 29.763 1.00 52.13 C ATOM 934 CD2 LEU A 59 5.709 -1.802 28.035 1.00 42.21 C ATOM 0 H LEU A 59 8.435 -0.825 30.144 1.00 64.42 H new ATOM 0 HA LEU A 59 7.915 -3.304 31.322 1.00 61.25 H new ATOM 0 HB2 LEU A 59 5.905 -2.341 31.402 1.00 11.51 H new ATOM 0 HB3 LEU A 59 6.502 -1.036 30.395 1.00 11.51 H new ATOM 0 HG LEU A 59 5.452 -3.587 29.175 1.00 70.15 H new ATOM 0 HD11 LEU A 59 3.257 -2.488 28.969 1.00 52.13 H new ATOM 0 HD12 LEU A 59 3.706 -2.754 30.670 1.00 52.13 H new ATOM 0 HD13 LEU A 59 3.849 -1.130 29.956 1.00 52.13 H new ATOM 0 HD21 LEU A 59 4.996 -2.096 27.265 1.00 42.21 H new ATOM 0 HD22 LEU A 59 5.658 -0.724 28.184 1.00 42.21 H new ATOM 0 HD23 LEU A 59 6.716 -2.077 27.721 1.00 42.21 H new ATOM 946 N ALA A 60 8.096 -3.355 28.050 1.00 44.50 N ATOM 947 CA ALA A 60 8.167 -4.233 26.889 1.00 20.21 C ATOM 948 C ALA A 60 9.236 -5.304 27.076 1.00 62.43 C ATOM 949 O ALA A 60 9.004 -6.480 26.798 1.00 33.42 O ATOM 950 CB ALA A 60 8.442 -3.424 25.630 1.00 1.25 C ATOM 0 H ALA A 60 8.322 -2.380 27.855 1.00 44.50 H new ATOM 0 HA ALA A 60 7.204 -4.732 26.783 1.00 20.21 H new ATOM 0 HB1 ALA A 60 8.492 -4.093 24.771 1.00 1.25 H new ATOM 0 HB2 ALA A 60 7.640 -2.701 25.480 1.00 1.25 H new ATOM 0 HB3 ALA A 60 9.391 -2.898 25.736 1.00 1.25 H new ATOM 956 N GLU A 61 10.408 -4.889 27.547 1.00 51.04 N ATOM 957 CA GLU A 61 11.513 -5.814 27.768 1.00 31.31 C ATOM 958 C GLU A 61 11.094 -6.949 28.699 1.00 3.41 C ATOM 959 O GLU A 61 11.565 -8.079 28.569 1.00 21.53 O ATOM 960 CB GLU A 61 12.716 -5.075 28.356 1.00 4.13 C ATOM 961 CG GLU A 61 13.730 -4.635 27.313 1.00 12.12 C ATOM 962 CD GLU A 61 15.011 -5.444 27.367 1.00 2.11 C ATOM 963 OE1 GLU A 61 15.060 -6.519 26.733 1.00 4.03 O ATOM 964 OE2 GLU A 61 15.964 -5.003 28.043 1.00 41.23 O ATOM 0 H GLU A 61 10.616 -3.919 27.783 1.00 51.04 H new ATOM 0 HA GLU A 61 11.794 -6.241 26.805 1.00 31.31 H new ATOM 0 HB2 GLU A 61 12.363 -4.199 28.900 1.00 4.13 H new ATOM 0 HB3 GLU A 61 13.210 -5.722 29.081 1.00 4.13 H new ATOM 0 HG2 GLU A 61 13.288 -4.727 26.321 1.00 12.12 H new ATOM 0 HG3 GLU A 61 13.964 -3.581 27.461 1.00 12.12 H new ATOM 971 N LEU A 62 10.207 -6.638 29.638 1.00 24.41 N ATOM 972 CA LEU A 62 9.725 -7.631 30.592 1.00 14.43 C ATOM 973 C LEU A 62 8.762 -8.606 29.923 1.00 30.41 C ATOM 974 O LEU A 62 8.859 -9.820 30.113 1.00 42.44 O ATOM 975 CB LEU A 62 9.033 -6.941 31.770 1.00 41.25 C ATOM 976 CG LEU A 62 8.135 -7.827 32.633 1.00 13.22 C ATOM 977 CD1 LEU A 62 8.169 -7.369 34.083 1.00 31.32 C ATOM 978 CD2 LEU A 62 6.708 -7.818 32.103 1.00 64.12 C ATOM 0 H LEU A 62 9.807 -5.707 29.759 1.00 24.41 H new ATOM 0 HA LEU A 62 10.584 -8.192 30.960 1.00 14.43 H new ATOM 0 HB2 LEU A 62 9.799 -6.502 32.409 1.00 41.25 H new ATOM 0 HB3 LEU A 62 8.433 -6.118 31.382 1.00 41.25 H new ATOM 0 HG LEU A 62 8.512 -8.849 32.586 1.00 13.22 H new ATOM 0 HD11 LEU A 62 7.524 -8.011 34.683 1.00 31.32 H new ATOM 0 HD12 LEU A 62 9.190 -7.428 34.459 1.00 31.32 H new ATOM 0 HD13 LEU A 62 7.817 -6.339 34.148 1.00 31.32 H new ATOM 0 HD21 LEU A 62 6.083 -8.454 32.730 1.00 64.12 H new ATOM 0 HD22 LEU A 62 6.320 -6.799 32.119 1.00 64.12 H new ATOM 0 HD23 LEU A 62 6.697 -8.194 31.080 1.00 64.12 H new ATOM 990 N LEU A 63 7.834 -8.069 29.138 1.00 23.53 N ATOM 991 CA LEU A 63 6.855 -8.893 28.438 1.00 14.21 C ATOM 992 C LEU A 63 7.542 -9.869 27.489 1.00 44.22 C ATOM 993 O LEU A 63 7.274 -11.070 27.517 1.00 61.22 O ATOM 994 CB LEU A 63 5.879 -8.008 27.660 1.00 60.33 C ATOM 995 CG LEU A 63 4.674 -8.720 27.042 1.00 4.53 C ATOM 996 CD1 LEU A 63 3.522 -8.775 28.033 1.00 21.42 C ATOM 997 CD2 LEU A 63 4.244 -8.023 25.760 1.00 72.35 C ATOM 0 H LEU A 63 7.739 -7.067 28.971 1.00 23.53 H new ATOM 0 HA LEU A 63 6.302 -9.468 29.181 1.00 14.21 H new ATOM 0 HB2 LEU A 63 5.512 -7.230 28.330 1.00 60.33 H new ATOM 0 HB3 LEU A 63 6.429 -7.509 26.862 1.00 60.33 H new ATOM 0 HG LEU A 63 4.965 -9.741 26.797 1.00 4.53 H new ATOM 0 HD11 LEU A 63 2.673 -9.285 27.577 1.00 21.42 H new ATOM 0 HD12 LEU A 63 3.835 -9.318 28.925 1.00 21.42 H new ATOM 0 HD13 LEU A 63 3.231 -7.762 28.309 1.00 21.42 H new ATOM 0 HD21 LEU A 63 3.386 -8.542 25.334 1.00 72.35 H new ATOM 0 HD22 LEU A 63 3.971 -6.991 25.981 1.00 72.35 H new ATOM 0 HD23 LEU A 63 5.067 -8.035 25.046 1.00 72.35 H new ATOM 1009 N ILE A 64 8.431 -9.345 26.652 1.00 41.34 N ATOM 1010 CA ILE A 64 9.160 -10.170 25.697 1.00 74.35 C ATOM 1011 C ILE A 64 9.943 -11.270 26.406 1.00 73.04 C ATOM 1012 O ILE A 64 10.147 -12.353 25.857 1.00 4.21 O ATOM 1013 CB ILE A 64 10.132 -9.327 24.850 1.00 32.42 C ATOM 1014 CG1 ILE A 64 11.203 -8.696 25.742 1.00 51.11 C ATOM 1015 CG2 ILE A 64 9.373 -8.254 24.084 1.00 62.45 C ATOM 1016 CD1 ILE A 64 12.267 -7.947 24.970 1.00 13.35 C ATOM 0 H ILE A 64 8.664 -8.353 26.616 1.00 41.34 H new ATOM 0 HA ILE A 64 8.417 -10.622 25.040 1.00 74.35 H new ATOM 0 HB ILE A 64 10.624 -9.980 24.129 1.00 32.42 H new ATOM 0 HG12 ILE A 64 10.724 -8.012 26.442 1.00 51.11 H new ATOM 0 HG13 ILE A 64 11.678 -9.478 26.335 1.00 51.11 H new ATOM 0 HG21 ILE A 64 10.073 -7.667 23.490 1.00 62.45 H new ATOM 0 HG22 ILE A 64 8.644 -8.725 23.424 1.00 62.45 H new ATOM 0 HG23 ILE A 64 8.857 -7.601 24.788 1.00 62.45 H new ATOM 0 HD11 ILE A 64 12.993 -7.526 25.666 1.00 13.35 H new ATOM 0 HD12 ILE A 64 12.772 -8.632 24.289 1.00 13.35 H new ATOM 0 HD13 ILE A 64 11.804 -7.143 24.398 1.00 13.35 H new ATOM 1028 N SER A 65 10.377 -10.985 27.629 1.00 10.01 N ATOM 1029 CA SER A 65 11.140 -11.949 28.413 1.00 35.15 C ATOM 1030 C SER A 65 10.219 -13.001 29.025 1.00 1.13 C ATOM 1031 O SER A 65 10.647 -14.113 29.335 1.00 73.34 O ATOM 1032 CB SER A 65 11.922 -11.235 29.518 1.00 72.34 C ATOM 1033 OG SER A 65 12.850 -12.111 30.133 1.00 30.51 O ATOM 0 H SER A 65 10.213 -10.094 28.099 1.00 10.01 H new ATOM 0 HA SER A 65 11.842 -12.449 27.746 1.00 35.15 H new ATOM 0 HB2 SER A 65 12.449 -10.378 29.099 1.00 72.34 H new ATOM 0 HB3 SER A 65 11.230 -10.849 30.267 1.00 72.34 H new ATOM 0 HG SER A 65 13.338 -11.631 30.834 1.00 30.51 H new ATOM 1039 N LYS A 66 8.952 -12.641 29.197 1.00 12.34 N ATOM 1040 CA LYS A 66 7.968 -13.552 29.771 1.00 42.42 C ATOM 1041 C LYS A 66 8.012 -14.908 29.074 1.00 14.13 C ATOM 1042 O LYS A 66 8.337 -15.923 29.691 1.00 42.14 O ATOM 1043 CB LYS A 66 6.564 -12.954 29.660 1.00 53.02 C ATOM 1044 CG LYS A 66 5.460 -13.917 30.061 1.00 14.33 C ATOM 1045 CD LYS A 66 5.594 -14.345 31.513 1.00 71.01 C ATOM 1046 CE LYS A 66 5.678 -15.858 31.642 1.00 32.21 C ATOM 1047 NZ LYS A 66 6.771 -16.277 32.562 1.00 5.40 N ATOM 0 H LYS A 66 8.582 -11.724 28.947 1.00 12.34 H new ATOM 0 HA LYS A 66 8.212 -13.696 30.823 1.00 42.42 H new ATOM 0 HB2 LYS A 66 6.506 -12.065 30.289 1.00 53.02 H new ATOM 0 HB3 LYS A 66 6.396 -12.629 28.633 1.00 53.02 H new ATOM 0 HG2 LYS A 66 4.490 -13.444 29.908 1.00 14.33 H new ATOM 0 HG3 LYS A 66 5.491 -14.796 29.417 1.00 14.33 H new ATOM 0 HD2 LYS A 66 6.486 -13.892 31.946 1.00 71.01 H new ATOM 0 HD3 LYS A 66 4.740 -13.977 32.082 1.00 71.01 H new ATOM 0 HE2 LYS A 66 4.727 -16.244 32.008 1.00 32.21 H new ATOM 0 HE3 LYS A 66 5.843 -16.298 30.658 1.00 32.21 H new ATOM 0 HZ1 LYS A 66 6.795 -17.315 32.623 1.00 5.40 H new ATOM 0 HZ2 LYS A 66 7.682 -15.930 32.199 1.00 5.40 H new ATOM 0 HZ3 LYS A 66 6.601 -15.879 33.508 1.00 5.40 H new ATOM 1061 N TYR A 67 7.683 -14.918 27.787 1.00 11.53 N ATOM 1062 CA TYR A 67 7.684 -16.150 27.008 1.00 54.44 C ATOM 1063 C TYR A 67 8.465 -15.972 25.709 1.00 31.12 C ATOM 1064 O TYR A 67 9.194 -16.867 25.283 1.00 54.24 O ATOM 1065 CB TYR A 67 6.250 -16.583 26.698 1.00 54.42 C ATOM 1066 CG TYR A 67 5.974 -18.035 27.015 1.00 71.12 C ATOM 1067 CD1 TYR A 67 6.758 -19.046 26.472 1.00 3.34 C ATOM 1068 CD2 TYR A 67 4.929 -18.397 27.856 1.00 53.05 C ATOM 1069 CE1 TYR A 67 6.510 -20.374 26.758 1.00 33.25 C ATOM 1070 CE2 TYR A 67 4.674 -19.723 28.148 1.00 12.34 C ATOM 1071 CZ TYR A 67 5.467 -20.708 27.597 1.00 12.43 C ATOM 1072 OH TYR A 67 5.215 -22.029 27.885 1.00 23.44 O ATOM 0 H TYR A 67 7.412 -14.087 27.261 1.00 11.53 H new ATOM 0 HA TYR A 67 8.171 -16.925 27.601 1.00 54.44 H new ATOM 0 HB2 TYR A 67 5.560 -15.958 27.266 1.00 54.42 H new ATOM 0 HB3 TYR A 67 6.046 -16.405 25.642 1.00 54.42 H new ATOM 0 HD1 TYR A 67 7.575 -18.788 25.815 1.00 3.34 H new ATOM 0 HD2 TYR A 67 4.305 -17.629 28.289 1.00 53.05 H new ATOM 0 HE1 TYR A 67 7.129 -21.147 26.327 1.00 33.25 H new ATOM 0 HE2 TYR A 67 3.858 -19.987 28.804 1.00 12.34 H new ATOM 0 HH TYR A 67 4.447 -22.091 28.491 1.00 23.44 H new ATOM 1082 N GLY A 68 8.307 -14.809 25.085 1.00 0.43 N ATOM 1083 CA GLY A 68 9.003 -14.533 23.842 1.00 4.13 C ATOM 1084 C GLY A 68 8.647 -13.177 23.267 1.00 50.35 C ATOM 1085 O GLY A 68 7.515 -12.716 23.405 1.00 54.54 O ATOM 0 H GLY A 68 7.709 -14.053 25.418 1.00 0.43 H new ATOM 0 HA2 GLY A 68 10.078 -14.581 24.013 1.00 4.13 H new ATOM 0 HA3 GLY A 68 8.761 -15.308 23.114 1.00 4.13 H new ATOM 1089 N GLU A 69 9.617 -12.536 22.621 1.00 75.22 N ATOM 1090 CA GLU A 69 9.399 -11.223 22.025 1.00 73.44 C ATOM 1091 C GLU A 69 8.423 -11.312 20.855 1.00 74.20 C ATOM 1092 O GLU A 69 7.692 -10.364 20.568 1.00 74.12 O ATOM 1093 CB GLU A 69 10.726 -10.627 21.551 1.00 11.05 C ATOM 1094 CG GLU A 69 11.520 -11.552 20.644 1.00 54.31 C ATOM 1095 CD GLU A 69 12.355 -10.797 19.628 1.00 0.44 C ATOM 1096 OE1 GLU A 69 11.861 -9.783 19.091 1.00 60.45 O ATOM 1097 OE2 GLU A 69 13.502 -11.218 19.371 1.00 32.44 O ATOM 0 H GLU A 69 10.560 -12.904 22.497 1.00 75.22 H new ATOM 0 HA GLU A 69 8.968 -10.573 22.787 1.00 73.44 H new ATOM 0 HB2 GLU A 69 10.527 -9.695 21.021 1.00 11.05 H new ATOM 0 HB3 GLU A 69 11.333 -10.376 22.421 1.00 11.05 H new ATOM 0 HG2 GLU A 69 12.173 -12.178 21.252 1.00 54.31 H new ATOM 0 HG3 GLU A 69 10.834 -12.219 20.122 1.00 54.31 H new ATOM 1104 N LYS A 70 8.417 -12.458 20.182 1.00 21.15 N ATOM 1105 CA LYS A 70 7.532 -12.674 19.044 1.00 13.42 C ATOM 1106 C LYS A 70 6.070 -12.541 19.459 1.00 11.41 C ATOM 1107 O LYS A 70 5.429 -11.526 19.188 1.00 51.11 O ATOM 1108 CB LYS A 70 7.777 -14.056 18.436 1.00 75.40 C ATOM 1109 CG LYS A 70 8.433 -14.011 17.067 1.00 74.22 C ATOM 1110 CD LYS A 70 9.761 -13.275 17.109 1.00 11.41 C ATOM 1111 CE LYS A 70 9.725 -12.012 16.262 1.00 43.03 C ATOM 1112 NZ LYS A 70 10.322 -10.849 16.974 1.00 1.44 N ATOM 0 H LYS A 70 9.016 -13.252 20.406 1.00 21.15 H new ATOM 0 HA LYS A 70 7.750 -11.911 18.296 1.00 13.42 H new ATOM 0 HB2 LYS A 70 8.406 -14.635 19.112 1.00 75.40 H new ATOM 0 HB3 LYS A 70 6.826 -14.583 18.357 1.00 75.40 H new ATOM 0 HG2 LYS A 70 8.590 -15.027 16.704 1.00 74.22 H new ATOM 0 HG3 LYS A 70 7.766 -13.520 16.359 1.00 74.22 H new ATOM 0 HD2 LYS A 70 10.002 -13.016 18.140 1.00 11.41 H new ATOM 0 HD3 LYS A 70 10.554 -13.932 16.751 1.00 11.41 H new ATOM 0 HE2 LYS A 70 10.265 -12.184 15.331 1.00 43.03 H new ATOM 0 HE3 LYS A 70 8.693 -11.783 15.995 1.00 43.03 H new ATOM 0 HZ1 LYS A 70 10.232 -9.997 16.384 1.00 1.44 H new ATOM 0 HZ2 LYS A 70 9.824 -10.700 17.875 1.00 1.44 H new ATOM 0 HZ3 LYS A 70 11.328 -11.036 17.162 1.00 1.44 H new ATOM 1126 N GLU A 71 5.551 -13.571 20.119 1.00 75.22 N ATOM 1127 CA GLU A 71 4.164 -13.567 20.571 1.00 23.42 C ATOM 1128 C GLU A 71 3.843 -12.282 21.329 1.00 73.41 C ATOM 1129 O GLU A 71 2.695 -11.841 21.364 1.00 35.25 O ATOM 1130 CB GLU A 71 3.892 -14.780 21.464 1.00 64.34 C ATOM 1131 CG GLU A 71 2.489 -14.805 22.046 1.00 62.22 C ATOM 1132 CD GLU A 71 1.922 -16.208 22.141 1.00 73.24 C ATOM 1133 OE1 GLU A 71 2.215 -17.028 21.245 1.00 1.21 O ATOM 1134 OE2 GLU A 71 1.185 -16.486 23.109 1.00 34.53 O ATOM 0 H GLU A 71 6.069 -14.418 20.353 1.00 75.22 H new ATOM 0 HA GLU A 71 3.522 -13.620 19.692 1.00 23.42 H new ATOM 0 HB2 GLU A 71 4.052 -15.690 20.885 1.00 64.34 H new ATOM 0 HB3 GLU A 71 4.615 -14.789 22.280 1.00 64.34 H new ATOM 0 HG2 GLU A 71 2.503 -14.355 23.039 1.00 62.22 H new ATOM 0 HG3 GLU A 71 1.832 -14.193 21.428 1.00 62.22 H new ATOM 1141 N ALA A 72 4.866 -11.688 21.934 1.00 54.40 N ATOM 1142 CA ALA A 72 4.693 -10.453 22.690 1.00 62.23 C ATOM 1143 C ALA A 72 3.920 -9.418 21.881 1.00 52.44 C ATOM 1144 O ALA A 72 2.819 -9.017 22.258 1.00 55.45 O ATOM 1145 CB ALA A 72 6.046 -9.897 23.107 1.00 3.51 C ATOM 0 H ALA A 72 5.823 -12.041 21.916 1.00 54.40 H new ATOM 0 HA ALA A 72 4.114 -10.681 23.585 1.00 62.23 H new ATOM 0 HB1 ALA A 72 5.903 -8.975 23.671 1.00 3.51 H new ATOM 0 HB2 ALA A 72 6.563 -10.627 23.730 1.00 3.51 H new ATOM 0 HB3 ALA A 72 6.644 -9.690 22.219 1.00 3.51 H new ATOM 1151 N VAL A 73 4.504 -8.987 20.767 1.00 75.34 N ATOM 1152 CA VAL A 73 3.869 -7.998 19.904 1.00 73.23 C ATOM 1153 C VAL A 73 2.517 -8.493 19.402 1.00 61.52 C ATOM 1154 O VAL A 73 1.585 -7.710 19.217 1.00 24.04 O ATOM 1155 CB VAL A 73 4.759 -7.655 18.694 1.00 14.34 C ATOM 1156 CG1 VAL A 73 3.988 -6.819 17.684 1.00 35.10 C ATOM 1157 CG2 VAL A 73 6.017 -6.930 19.148 1.00 30.31 C ATOM 0 H VAL A 73 5.416 -9.307 20.441 1.00 75.34 H new ATOM 0 HA VAL A 73 3.724 -7.101 20.505 1.00 73.23 H new ATOM 0 HB VAL A 73 5.057 -8.584 18.209 1.00 14.34 H new ATOM 0 HG11 VAL A 73 4.633 -6.586 16.836 1.00 35.10 H new ATOM 0 HG12 VAL A 73 3.119 -7.378 17.336 1.00 35.10 H new ATOM 0 HG13 VAL A 73 3.659 -5.892 18.154 1.00 35.10 H new ATOM 0 HG21 VAL A 73 6.634 -6.695 18.281 1.00 30.31 H new ATOM 0 HG22 VAL A 73 5.741 -6.007 19.658 1.00 30.31 H new ATOM 0 HG23 VAL A 73 6.578 -7.568 19.831 1.00 30.31 H new ATOM 1167 N LYS A 74 2.416 -9.800 19.183 1.00 62.15 N ATOM 1168 CA LYS A 74 1.178 -10.403 18.703 1.00 11.44 C ATOM 1169 C LYS A 74 0.083 -10.309 19.761 1.00 54.03 C ATOM 1170 O LYS A 74 -1.081 -10.061 19.444 1.00 62.15 O ATOM 1171 CB LYS A 74 1.412 -11.867 18.325 1.00 42.22 C ATOM 1172 CG LYS A 74 0.131 -12.671 18.183 1.00 4.11 C ATOM 1173 CD LYS A 74 -0.110 -13.553 19.396 1.00 31.33 C ATOM 1174 CE LYS A 74 -1.503 -13.342 19.971 1.00 64.24 C ATOM 1175 NZ LYS A 74 -1.614 -13.864 21.361 1.00 72.43 N ATOM 0 H LYS A 74 3.178 -10.462 19.331 1.00 62.15 H new ATOM 0 HA LYS A 74 0.854 -9.854 17.819 1.00 11.44 H new ATOM 0 HB2 LYS A 74 1.962 -11.907 17.385 1.00 42.22 H new ATOM 0 HB3 LYS A 74 2.041 -12.333 19.083 1.00 42.22 H new ATOM 0 HG2 LYS A 74 -0.712 -11.993 18.051 1.00 4.11 H new ATOM 0 HG3 LYS A 74 0.186 -13.290 17.287 1.00 4.11 H new ATOM 0 HD2 LYS A 74 0.015 -14.599 19.117 1.00 31.33 H new ATOM 0 HD3 LYS A 74 0.637 -13.335 20.160 1.00 31.33 H new ATOM 0 HE2 LYS A 74 -1.742 -12.279 19.962 1.00 64.24 H new ATOM 0 HE3 LYS A 74 -2.237 -13.839 19.337 1.00 64.24 H new ATOM 0 HZ1 LYS A 74 -2.122 -13.175 21.951 1.00 72.43 H new ATOM 0 HZ2 LYS A 74 -2.135 -14.764 21.353 1.00 72.43 H new ATOM 0 HZ3 LYS A 74 -0.662 -14.018 21.751 1.00 72.43 H new ATOM 1189 N VAL A 75 0.462 -10.507 21.019 1.00 24.51 N ATOM 1190 CA VAL A 75 -0.487 -10.443 22.124 1.00 53.35 C ATOM 1191 C VAL A 75 -1.050 -9.035 22.283 1.00 41.23 C ATOM 1192 O VAL A 75 -2.098 -8.839 22.898 1.00 21.23 O ATOM 1193 CB VAL A 75 0.164 -10.876 23.450 1.00 23.41 C ATOM 1194 CG1 VAL A 75 0.766 -9.677 24.166 1.00 25.35 C ATOM 1195 CG2 VAL A 75 -0.851 -11.583 24.336 1.00 41.50 C ATOM 0 H VAL A 75 1.421 -10.713 21.299 1.00 24.51 H new ATOM 0 HA VAL A 75 -1.298 -11.131 21.885 1.00 53.35 H new ATOM 0 HB VAL A 75 0.968 -11.577 23.228 1.00 23.41 H new ATOM 0 HG11 VAL A 75 1.222 -10.003 25.101 1.00 25.35 H new ATOM 0 HG12 VAL A 75 1.526 -9.219 23.533 1.00 25.35 H new ATOM 0 HG13 VAL A 75 -0.017 -8.949 24.378 1.00 25.35 H new ATOM 0 HG21 VAL A 75 -0.374 -11.882 25.269 1.00 41.50 H new ATOM 0 HG22 VAL A 75 -1.678 -10.907 24.552 1.00 41.50 H new ATOM 0 HG23 VAL A 75 -1.229 -12.467 23.822 1.00 41.50 H new ATOM 1205 N VAL A 76 -0.347 -8.056 21.723 1.00 45.51 N ATOM 1206 CA VAL A 76 -0.776 -6.664 21.801 1.00 73.50 C ATOM 1207 C VAL A 76 -1.853 -6.363 20.764 1.00 2.15 C ATOM 1208 O VAL A 76 -2.911 -5.823 21.091 1.00 44.21 O ATOM 1209 CB VAL A 76 0.406 -5.699 21.593 1.00 71.31 C ATOM 1210 CG1 VAL A 76 -0.078 -4.381 21.009 1.00 4.41 C ATOM 1211 CG2 VAL A 76 1.145 -5.473 22.903 1.00 0.30 C ATOM 0 H VAL A 76 0.523 -8.201 21.210 1.00 45.51 H new ATOM 0 HA VAL A 76 -1.185 -6.514 22.800 1.00 73.50 H new ATOM 0 HB VAL A 76 1.101 -6.149 20.884 1.00 71.31 H new ATOM 0 HG11 VAL A 76 0.771 -3.712 20.869 1.00 4.41 H new ATOM 0 HG12 VAL A 76 -0.559 -4.564 20.048 1.00 4.41 H new ATOM 0 HG13 VAL A 76 -0.794 -3.922 21.691 1.00 4.41 H new ATOM 0 HG21 VAL A 76 1.977 -4.789 22.738 1.00 0.30 H new ATOM 0 HG22 VAL A 76 0.462 -5.044 23.636 1.00 0.30 H new ATOM 0 HG23 VAL A 76 1.526 -6.424 23.275 1.00 0.30 H new ATOM 1221 N LEU A 77 -1.577 -6.716 19.514 1.00 52.53 N ATOM 1222 CA LEU A 77 -2.523 -6.483 18.427 1.00 23.43 C ATOM 1223 C LEU A 77 -3.745 -7.385 18.567 1.00 21.31 C ATOM 1224 O LEU A 77 -4.883 -6.932 18.442 1.00 4.52 O ATOM 1225 CB LEU A 77 -1.847 -6.726 17.076 1.00 33.35 C ATOM 1226 CG LEU A 77 -1.274 -8.126 16.855 1.00 62.31 C ATOM 1227 CD1 LEU A 77 -2.242 -8.979 16.050 1.00 15.30 C ATOM 1228 CD2 LEU A 77 0.076 -8.045 16.156 1.00 33.42 C ATOM 0 H LEU A 77 -0.707 -7.164 19.227 1.00 52.53 H new ATOM 0 HA LEU A 77 -2.852 -5.445 18.480 1.00 23.43 H new ATOM 0 HB2 LEU A 77 -2.572 -6.523 16.288 1.00 33.35 H new ATOM 0 HB3 LEU A 77 -1.040 -6.002 16.961 1.00 33.35 H new ATOM 0 HG LEU A 77 -1.130 -8.596 17.828 1.00 62.31 H new ATOM 0 HD11 LEU A 77 -1.817 -9.972 15.903 1.00 15.30 H new ATOM 0 HD12 LEU A 77 -3.186 -9.065 16.588 1.00 15.30 H new ATOM 0 HD13 LEU A 77 -2.418 -8.513 15.081 1.00 15.30 H new ATOM 0 HD21 LEU A 77 0.469 -9.051 16.007 1.00 33.42 H new ATOM 0 HD22 LEU A 77 -0.043 -7.555 15.190 1.00 33.42 H new ATOM 0 HD23 LEU A 77 0.770 -7.471 16.770 1.00 33.42 H new ATOM 1240 N LYS A 78 -3.502 -8.665 18.829 1.00 34.11 N ATOM 1241 CA LYS A 78 -4.582 -9.632 18.990 1.00 52.40 C ATOM 1242 C LYS A 78 -5.615 -9.131 19.995 1.00 72.15 C ATOM 1243 O LYS A 78 -6.811 -9.105 19.708 1.00 14.44 O ATOM 1244 CB LYS A 78 -4.023 -10.981 19.447 1.00 41.21 C ATOM 1245 CG LYS A 78 -5.039 -11.847 20.170 1.00 34.22 C ATOM 1246 CD LYS A 78 -6.284 -12.069 19.327 1.00 64.23 C ATOM 1247 CE LYS A 78 -7.552 -11.836 20.133 1.00 53.45 C ATOM 1248 NZ LYS A 78 -8.718 -11.533 19.257 1.00 70.45 N ATOM 0 H LYS A 78 -2.566 -9.057 18.934 1.00 34.11 H new ATOM 0 HA LYS A 78 -5.071 -9.757 18.024 1.00 52.40 H new ATOM 0 HB2 LYS A 78 -3.649 -11.523 18.578 1.00 41.21 H new ATOM 0 HB3 LYS A 78 -3.172 -10.808 20.105 1.00 41.21 H new ATOM 0 HG2 LYS A 78 -4.589 -12.809 20.416 1.00 34.22 H new ATOM 0 HG3 LYS A 78 -5.316 -11.374 21.112 1.00 34.22 H new ATOM 0 HD2 LYS A 78 -6.268 -11.397 18.469 1.00 64.23 H new ATOM 0 HD3 LYS A 78 -6.283 -13.086 18.935 1.00 64.23 H new ATOM 0 HE2 LYS A 78 -7.768 -12.720 20.733 1.00 53.45 H new ATOM 0 HE3 LYS A 78 -7.395 -11.010 20.827 1.00 53.45 H new ATOM 0 HZ1 LYS A 78 -9.563 -11.380 19.844 1.00 70.45 H new ATOM 0 HZ2 LYS A 78 -8.522 -10.675 18.703 1.00 70.45 H new ATOM 0 HZ3 LYS A 78 -8.884 -12.332 18.612 1.00 70.45 H new ATOM 1262 N GLY A 79 -5.144 -8.733 21.173 1.00 73.33 N ATOM 1263 CA GLY A 79 -6.041 -8.238 22.201 1.00 44.32 C ATOM 1264 C GLY A 79 -6.520 -6.827 21.921 1.00 22.04 C ATOM 1265 O GLY A 79 -7.535 -6.389 22.464 1.00 31.13 O ATOM 0 H GLY A 79 -4.158 -8.745 21.434 1.00 73.33 H new ATOM 0 HA2 GLY A 79 -6.902 -8.902 22.279 1.00 44.32 H new ATOM 0 HA3 GLY A 79 -5.533 -8.261 23.165 1.00 44.32 H new ATOM 1269 N LEU A 80 -5.788 -6.112 21.074 1.00 70.52 N ATOM 1270 CA LEU A 80 -6.143 -4.741 20.724 1.00 30.40 C ATOM 1271 C LEU A 80 -7.341 -4.713 19.781 1.00 52.15 C ATOM 1272 O LEU A 80 -8.130 -3.767 19.789 1.00 64.33 O ATOM 1273 CB LEU A 80 -4.952 -4.035 20.075 1.00 5.11 C ATOM 1274 CG LEU A 80 -4.074 -3.203 21.011 1.00 43.24 C ATOM 1275 CD1 LEU A 80 -2.871 -2.649 20.262 1.00 31.22 C ATOM 1276 CD2 LEU A 80 -4.881 -2.074 21.636 1.00 62.41 C ATOM 0 H LEU A 80 -4.945 -6.459 20.617 1.00 70.52 H new ATOM 0 HA LEU A 80 -6.413 -4.216 21.640 1.00 30.40 H new ATOM 0 HB2 LEU A 80 -4.326 -4.788 19.596 1.00 5.11 H new ATOM 0 HB3 LEU A 80 -5.327 -3.383 19.286 1.00 5.11 H new ATOM 0 HG LEU A 80 -3.713 -3.850 21.810 1.00 43.24 H new ATOM 0 HD11 LEU A 80 -2.258 -2.060 20.944 1.00 31.22 H new ATOM 0 HD12 LEU A 80 -2.280 -3.473 19.862 1.00 31.22 H new ATOM 0 HD13 LEU A 80 -3.212 -2.017 19.442 1.00 31.22 H new ATOM 0 HD21 LEU A 80 -4.240 -1.493 22.299 1.00 62.41 H new ATOM 0 HD22 LEU A 80 -5.272 -1.428 20.850 1.00 62.41 H new ATOM 0 HD23 LEU A 80 -5.710 -2.492 22.207 1.00 62.41 H new ATOM 1288 N LYS A 81 -7.473 -5.757 18.969 1.00 55.40 N ATOM 1289 CA LYS A 81 -8.577 -5.854 18.021 1.00 32.42 C ATOM 1290 C LYS A 81 -9.917 -5.655 18.723 1.00 24.14 C ATOM 1291 O LYS A 81 -10.685 -4.759 18.374 1.00 41.03 O ATOM 1292 CB LYS A 81 -8.555 -7.214 17.319 1.00 22.02 C ATOM 1293 CG LYS A 81 -7.714 -7.232 16.055 1.00 43.24 C ATOM 1294 CD LYS A 81 -8.580 -7.333 14.810 1.00 22.12 C ATOM 1295 CE LYS A 81 -7.799 -6.970 13.556 1.00 22.25 C ATOM 1296 NZ LYS A 81 -8.230 -7.777 12.382 1.00 63.35 N ATOM 0 H LYS A 81 -6.829 -6.548 18.949 1.00 55.40 H new ATOM 0 HA LYS A 81 -8.455 -5.066 17.278 1.00 32.42 H new ATOM 0 HB2 LYS A 81 -8.172 -7.964 18.011 1.00 22.02 H new ATOM 0 HB3 LYS A 81 -9.576 -7.502 17.070 1.00 22.02 H new ATOM 0 HG2 LYS A 81 -7.109 -6.326 16.006 1.00 43.24 H new ATOM 0 HG3 LYS A 81 -7.023 -8.075 16.088 1.00 43.24 H new ATOM 0 HD2 LYS A 81 -8.968 -8.347 14.717 1.00 22.12 H new ATOM 0 HD3 LYS A 81 -9.440 -6.670 14.909 1.00 22.12 H new ATOM 0 HE2 LYS A 81 -7.934 -5.911 13.338 1.00 22.25 H new ATOM 0 HE3 LYS A 81 -6.735 -7.126 13.733 1.00 22.25 H new ATOM 0 HZ1 LYS A 81 -7.674 -7.500 11.548 1.00 63.35 H new ATOM 0 HZ2 LYS A 81 -8.078 -8.787 12.580 1.00 63.35 H new ATOM 0 HZ3 LYS A 81 -9.240 -7.609 12.197 1.00 63.35 H new ATOM 1310 N VAL A 82 -10.190 -6.495 19.717 1.00 62.23 N ATOM 1311 CA VAL A 82 -11.435 -6.409 20.470 1.00 73.42 C ATOM 1312 C VAL A 82 -11.580 -5.047 21.139 1.00 21.44 C ATOM 1313 O VAL A 82 -12.614 -4.743 21.732 1.00 14.31 O ATOM 1314 CB VAL A 82 -11.518 -7.509 21.545 1.00 21.10 C ATOM 1315 CG1 VAL A 82 -12.951 -7.678 22.027 1.00 25.22 C ATOM 1316 CG2 VAL A 82 -10.969 -8.822 21.007 1.00 73.00 C ATOM 0 H VAL A 82 -9.565 -7.243 20.019 1.00 62.23 H new ATOM 0 HA VAL A 82 -12.247 -6.548 19.756 1.00 73.42 H new ATOM 0 HB VAL A 82 -10.907 -7.208 22.396 1.00 21.10 H new ATOM 0 HG11 VAL A 82 -12.990 -8.459 22.786 1.00 25.22 H new ATOM 0 HG12 VAL A 82 -13.304 -6.739 22.454 1.00 25.22 H new ATOM 0 HG13 VAL A 82 -13.587 -7.957 21.187 1.00 25.22 H new ATOM 0 HG21 VAL A 82 -11.035 -9.588 21.780 1.00 73.00 H new ATOM 0 HG22 VAL A 82 -11.551 -9.131 20.139 1.00 73.00 H new ATOM 0 HG23 VAL A 82 -9.927 -8.689 20.717 1.00 73.00 H new ATOM 1326 N MET A 83 -10.536 -4.231 21.040 1.00 65.50 N ATOM 1327 CA MET A 83 -10.547 -2.900 21.635 1.00 71.11 C ATOM 1328 C MET A 83 -10.798 -1.833 20.574 1.00 14.14 C ATOM 1329 O MET A 83 -11.034 -0.669 20.896 1.00 74.13 O ATOM 1330 CB MET A 83 -9.222 -2.625 22.348 1.00 63.22 C ATOM 1331 CG MET A 83 -9.282 -1.451 23.312 1.00 71.24 C ATOM 1332 SD MET A 83 -10.207 -1.831 24.812 1.00 70.31 S ATOM 1333 CE MET A 83 -8.872 -2.070 25.981 1.00 23.45 C ATOM 0 H MET A 83 -9.672 -4.468 20.553 1.00 65.50 H new ATOM 0 HA MET A 83 -11.357 -2.862 22.363 1.00 71.11 H new ATOM 0 HB2 MET A 83 -8.921 -3.518 22.895 1.00 63.22 H new ATOM 0 HB3 MET A 83 -8.451 -2.433 21.602 1.00 63.22 H new ATOM 0 HG2 MET A 83 -8.268 -1.154 23.580 1.00 71.24 H new ATOM 0 HG3 MET A 83 -9.742 -0.599 22.812 1.00 71.24 H new ATOM 0 HE1 MET A 83 -8.842 -3.115 26.291 1.00 23.45 H new ATOM 0 HE2 MET A 83 -7.925 -1.804 25.511 1.00 23.45 H new ATOM 0 HE3 MET A 83 -9.035 -1.437 26.853 1.00 23.45 H new ATOM 1343 N ASN A 84 -10.746 -2.238 19.310 1.00 44.24 N ATOM 1344 CA ASN A 84 -10.967 -1.315 18.202 1.00 62.31 C ATOM 1345 C ASN A 84 -9.823 -0.311 18.094 1.00 75.02 C ATOM 1346 O ASN A 84 -10.015 0.818 17.639 1.00 64.54 O ATOM 1347 CB ASN A 84 -12.294 -0.576 18.384 1.00 72.45 C ATOM 1348 CG ASN A 84 -13.318 -0.960 17.333 1.00 72.31 C ATOM 1349 OD1 ASN A 84 -13.425 -0.316 16.289 1.00 24.03 O ATOM 1350 ND2 ASN A 84 -14.078 -2.015 17.605 1.00 0.20 N ATOM 0 H ASN A 84 -10.553 -3.199 19.027 1.00 44.24 H new ATOM 0 HA ASN A 84 -11.006 -1.895 17.280 1.00 62.31 H new ATOM 0 HB2 ASN A 84 -12.695 -0.793 19.374 1.00 72.45 H new ATOM 0 HB3 ASN A 84 -12.117 0.499 18.340 1.00 72.45 H new ATOM 0 HD21 ASN A 84 -14.785 -2.321 16.936 1.00 0.20 H new ATOM 0 HD22 ASN A 84 -13.955 -2.519 18.483 1.00 0.20 H new ATOM 1357 N LEU A 85 -8.635 -0.729 18.514 1.00 3.25 N ATOM 1358 CA LEU A 85 -7.459 0.133 18.465 1.00 50.44 C ATOM 1359 C LEU A 85 -6.768 0.035 17.108 1.00 33.53 C ATOM 1360 O LEU A 85 -5.555 0.220 17.002 1.00 13.42 O ATOM 1361 CB LEU A 85 -6.479 -0.243 19.577 1.00 10.44 C ATOM 1362 CG LEU A 85 -6.376 0.742 20.742 1.00 14.45 C ATOM 1363 CD1 LEU A 85 -6.427 2.175 20.236 1.00 43.51 C ATOM 1364 CD2 LEU A 85 -7.487 0.492 21.752 1.00 55.33 C ATOM 0 H LEU A 85 -8.460 -1.660 18.893 1.00 3.25 H new ATOM 0 HA LEU A 85 -7.787 1.162 18.612 1.00 50.44 H new ATOM 0 HB2 LEU A 85 -6.768 -1.216 19.974 1.00 10.44 H new ATOM 0 HB3 LEU A 85 -5.489 -0.359 19.137 1.00 10.44 H new ATOM 0 HG LEU A 85 -5.418 0.588 21.239 1.00 14.45 H new ATOM 0 HD11 LEU A 85 -6.352 2.862 21.079 1.00 43.51 H new ATOM 0 HD12 LEU A 85 -5.597 2.349 19.552 1.00 43.51 H new ATOM 0 HD13 LEU A 85 -7.369 2.343 19.714 1.00 43.51 H new ATOM 0 HD21 LEU A 85 -7.398 1.202 22.574 1.00 55.33 H new ATOM 0 HD22 LEU A 85 -8.455 0.618 21.267 1.00 55.33 H new ATOM 0 HD23 LEU A 85 -7.405 -0.524 22.139 1.00 55.33 H new ATOM 1376 N LEU A 86 -7.548 -0.257 16.073 1.00 31.21 N ATOM 1377 CA LEU A 86 -7.012 -0.378 14.722 1.00 72.43 C ATOM 1378 C LEU A 86 -6.354 0.924 14.278 1.00 10.11 C ATOM 1379 O LEU A 86 -5.647 0.962 13.271 1.00 34.54 O ATOM 1380 CB LEU A 86 -8.124 -0.760 13.743 1.00 32.33 C ATOM 1381 CG LEU A 86 -9.200 0.299 13.503 1.00 12.23 C ATOM 1382 CD1 LEU A 86 -9.010 0.955 12.145 1.00 43.34 C ATOM 1383 CD2 LEU A 86 -10.588 -0.316 13.611 1.00 41.03 C ATOM 0 H LEU A 86 -8.553 -0.414 16.144 1.00 31.21 H new ATOM 0 HA LEU A 86 -6.255 -1.162 14.727 1.00 72.43 H new ATOM 0 HB2 LEU A 86 -7.667 -1.009 12.785 1.00 32.33 H new ATOM 0 HB3 LEU A 86 -8.609 -1.665 14.110 1.00 32.33 H new ATOM 0 HG LEU A 86 -9.104 1.067 14.271 1.00 12.23 H new ATOM 0 HD11 LEU A 86 -9.785 1.706 11.992 1.00 43.34 H new ATOM 0 HD12 LEU A 86 -8.030 1.431 12.105 1.00 43.34 H new ATOM 0 HD13 LEU A 86 -9.078 0.199 11.363 1.00 43.34 H new ATOM 0 HD21 LEU A 86 -11.341 0.453 13.437 1.00 41.03 H new ATOM 0 HD22 LEU A 86 -10.696 -1.104 12.866 1.00 41.03 H new ATOM 0 HD23 LEU A 86 -10.723 -0.737 14.607 1.00 41.03 H new ATOM 1395 N GLU A 87 -6.590 1.989 15.038 1.00 41.22 N ATOM 1396 CA GLU A 87 -6.018 3.293 14.723 1.00 53.13 C ATOM 1397 C GLU A 87 -4.510 3.190 14.513 1.00 32.15 C ATOM 1398 O GLU A 87 -4.024 3.237 13.383 1.00 71.04 O ATOM 1399 CB GLU A 87 -6.322 4.292 15.842 1.00 63.43 C ATOM 1400 CG GLU A 87 -5.744 5.675 15.596 1.00 1.31 C ATOM 1401 CD GLU A 87 -6.799 6.684 15.186 1.00 73.10 C ATOM 1402 OE1 GLU A 87 -7.739 6.915 15.975 1.00 22.44 O ATOM 1403 OE2 GLU A 87 -6.685 7.243 14.075 1.00 61.21 O ATOM 0 H GLU A 87 -7.173 1.975 15.875 1.00 41.22 H new ATOM 0 HA GLU A 87 -6.472 3.646 13.797 1.00 53.13 H new ATOM 0 HB2 GLU A 87 -7.402 4.375 15.960 1.00 63.43 H new ATOM 0 HB3 GLU A 87 -5.927 3.904 16.781 1.00 63.43 H new ATOM 0 HG2 GLU A 87 -5.246 6.023 16.501 1.00 1.31 H new ATOM 0 HG3 GLU A 87 -4.983 5.614 14.818 1.00 1.31 H new ATOM 1410 N LEU A 88 -3.775 3.050 15.611 1.00 70.51 N ATOM 1411 CA LEU A 88 -2.322 2.940 15.549 1.00 4.04 C ATOM 1412 C LEU A 88 -1.899 1.542 15.110 1.00 60.14 C ATOM 1413 O LEU A 88 -0.854 1.366 14.483 1.00 2.04 O ATOM 1414 CB LEU A 88 -1.708 3.266 16.912 1.00 23.31 C ATOM 1415 CG LEU A 88 -2.245 4.517 17.608 1.00 23.34 C ATOM 1416 CD1 LEU A 88 -2.532 5.611 16.592 1.00 4.55 C ATOM 1417 CD2 LEU A 88 -3.497 4.186 18.407 1.00 0.53 C ATOM 0 H LEU A 88 -4.161 3.010 16.554 1.00 70.51 H new ATOM 0 HA LEU A 88 -1.960 3.657 14.812 1.00 4.04 H new ATOM 0 HB2 LEU A 88 -1.864 2.412 17.572 1.00 23.31 H new ATOM 0 HB3 LEU A 88 -0.631 3.379 16.785 1.00 23.31 H new ATOM 0 HG LEU A 88 -1.484 4.881 18.298 1.00 23.34 H new ATOM 0 HD11 LEU A 88 -2.913 6.494 17.106 1.00 4.55 H new ATOM 0 HD12 LEU A 88 -1.614 5.867 16.064 1.00 4.55 H new ATOM 0 HD13 LEU A 88 -3.275 5.258 15.877 1.00 4.55 H new ATOM 0 HD21 LEU A 88 -3.866 5.088 18.896 1.00 0.53 H new ATOM 0 HD22 LEU A 88 -4.264 3.797 17.737 1.00 0.53 H new ATOM 0 HD23 LEU A 88 -3.260 3.436 19.161 1.00 0.53 H new ATOM 1429 N VAL A 89 -2.720 0.550 15.440 1.00 63.20 N ATOM 1430 CA VAL A 89 -2.433 -0.833 15.076 1.00 11.34 C ATOM 1431 C VAL A 89 -2.244 -0.977 13.570 1.00 32.05 C ATOM 1432 O VAL A 89 -1.558 -1.887 13.105 1.00 72.30 O ATOM 1433 CB VAL A 89 -3.559 -1.779 15.534 1.00 11.54 C ATOM 1434 CG1 VAL A 89 -3.869 -2.803 14.453 1.00 14.53 C ATOM 1435 CG2 VAL A 89 -3.180 -2.465 16.838 1.00 72.32 C ATOM 0 H VAL A 89 -3.589 0.678 15.959 1.00 63.20 H new ATOM 0 HA VAL A 89 -1.508 -1.109 15.583 1.00 11.34 H new ATOM 0 HB VAL A 89 -4.458 -1.188 15.709 1.00 11.54 H new ATOM 0 HG11 VAL A 89 -4.667 -3.462 14.795 1.00 14.53 H new ATOM 0 HG12 VAL A 89 -4.186 -2.289 13.546 1.00 14.53 H new ATOM 0 HG13 VAL A 89 -2.976 -3.392 14.243 1.00 14.53 H new ATOM 0 HG21 VAL A 89 -3.987 -3.130 17.147 1.00 72.32 H new ATOM 0 HG22 VAL A 89 -2.268 -3.044 16.693 1.00 72.32 H new ATOM 0 HG23 VAL A 89 -3.013 -1.713 17.610 1.00 72.32 H new ATOM 1445 N ASP A 90 -2.857 -0.073 12.814 1.00 65.12 N ATOM 1446 CA ASP A 90 -2.755 -0.098 11.359 1.00 22.23 C ATOM 1447 C ASP A 90 -1.328 -0.411 10.920 1.00 41.14 C ATOM 1448 O ASP A 90 -1.097 -1.336 10.142 1.00 75.14 O ATOM 1449 CB ASP A 90 -3.200 1.242 10.772 1.00 14.14 C ATOM 1450 CG ASP A 90 -3.714 1.110 9.352 1.00 13.12 C ATOM 1451 OD1 ASP A 90 -4.227 0.026 9.005 1.00 75.51 O ATOM 1452 OD2 ASP A 90 -3.604 2.091 8.588 1.00 12.52 O ATOM 0 H ASP A 90 -3.429 0.686 13.184 1.00 65.12 H new ATOM 0 HA ASP A 90 -3.411 -0.884 10.987 1.00 22.23 H new ATOM 0 HB2 ASP A 90 -3.982 1.669 11.400 1.00 14.14 H new ATOM 0 HB3 ASP A 90 -2.362 1.939 10.789 1.00 14.14 H new ATOM 1457 N GLN A 91 -0.375 0.367 11.423 1.00 52.45 N ATOM 1458 CA GLN A 91 1.029 0.174 11.080 1.00 72.03 C ATOM 1459 C GLN A 91 1.627 -0.985 11.870 1.00 5.21 C ATOM 1460 O GLN A 91 2.094 -1.968 11.293 1.00 23.03 O ATOM 1461 CB GLN A 91 1.822 1.454 11.348 1.00 23.12 C ATOM 1462 CG GLN A 91 2.292 2.155 10.084 1.00 51.11 C ATOM 1463 CD GLN A 91 2.616 3.618 10.314 1.00 2.01 C ATOM 1464 OE1 GLN A 91 3.307 3.970 11.271 1.00 63.43 O ATOM 1465 NE2 GLN A 91 2.118 4.480 9.436 1.00 52.41 N ATOM 0 H GLN A 91 -0.549 1.137 12.069 1.00 52.45 H new ATOM 0 HA GLN A 91 1.089 -0.065 10.018 1.00 72.03 H new ATOM 0 HB2 GLN A 91 1.203 2.141 11.925 1.00 23.12 H new ATOM 0 HB3 GLN A 91 2.689 1.212 11.963 1.00 23.12 H new ATOM 0 HG2 GLN A 91 3.176 1.647 9.699 1.00 51.11 H new ATOM 0 HG3 GLN A 91 1.519 2.074 9.319 1.00 51.11 H new ATOM 0 HE21 GLN A 91 1.550 4.145 8.658 1.00 52.41 H new ATOM 0 HE22 GLN A 91 2.303 5.478 9.540 1.00 52.41 H new ATOM 1474 N LEU A 92 1.611 -0.863 13.193 1.00 43.02 N ATOM 1475 CA LEU A 92 2.153 -1.901 14.063 1.00 1.44 C ATOM 1476 C LEU A 92 1.914 -3.286 13.473 1.00 70.51 C ATOM 1477 O LEU A 92 2.845 -4.078 13.326 1.00 72.44 O ATOM 1478 CB LEU A 92 1.520 -1.810 15.453 1.00 2.40 C ATOM 1479 CG LEU A 92 1.765 -3.000 16.381 1.00 12.12 C ATOM 1480 CD1 LEU A 92 0.769 -4.113 16.095 1.00 21.32 C ATOM 1481 CD2 LEU A 92 3.192 -3.507 16.233 1.00 31.22 C ATOM 0 H LEU A 92 1.229 -0.056 13.686 1.00 43.02 H new ATOM 0 HA LEU A 92 3.228 -1.744 14.149 1.00 1.44 H new ATOM 0 HB2 LEU A 92 1.894 -0.910 15.942 1.00 2.40 H new ATOM 0 HB3 LEU A 92 0.444 -1.684 15.333 1.00 2.40 H new ATOM 0 HG LEU A 92 1.624 -2.669 17.410 1.00 12.12 H new ATOM 0 HD11 LEU A 92 0.958 -4.952 16.765 1.00 21.32 H new ATOM 0 HD12 LEU A 92 -0.244 -3.744 16.253 1.00 21.32 H new ATOM 0 HD13 LEU A 92 0.878 -4.442 15.062 1.00 21.32 H new ATOM 0 HD21 LEU A 92 3.348 -4.354 16.901 1.00 31.22 H new ATOM 0 HD22 LEU A 92 3.362 -3.821 15.203 1.00 31.22 H new ATOM 0 HD23 LEU A 92 3.890 -2.710 16.489 1.00 31.22 H new ATOM 1493 N SER A 93 0.661 -3.572 13.135 1.00 54.23 N ATOM 1494 CA SER A 93 0.299 -4.863 12.561 1.00 14.23 C ATOM 1495 C SER A 93 1.025 -5.093 11.240 1.00 71.05 C ATOM 1496 O SER A 93 1.578 -6.167 11.000 1.00 33.25 O ATOM 1497 CB SER A 93 -1.214 -4.943 12.346 1.00 40.22 C ATOM 1498 OG SER A 93 -1.606 -4.201 11.204 1.00 73.33 O ATOM 0 H SER A 93 -0.121 -2.927 13.249 1.00 54.23 H new ATOM 0 HA SER A 93 0.601 -5.642 13.261 1.00 14.23 H new ATOM 0 HB2 SER A 93 -1.513 -5.984 12.227 1.00 40.22 H new ATOM 0 HB3 SER A 93 -1.730 -4.561 13.227 1.00 40.22 H new ATOM 0 HG SER A 93 -1.711 -3.258 11.447 1.00 73.33 H new ATOM 1504 N HIS A 94 1.019 -4.076 10.383 1.00 22.14 N ATOM 1505 CA HIS A 94 1.678 -4.166 9.085 1.00 33.11 C ATOM 1506 C HIS A 94 3.195 -4.159 9.244 1.00 41.01 C ATOM 1507 O HIS A 94 3.932 -4.247 8.261 1.00 31.32 O ATOM 1508 CB HIS A 94 1.242 -3.008 8.187 1.00 12.01 C ATOM 1509 CG HIS A 94 1.321 -3.321 6.725 1.00 72.43 C ATOM 1510 ND1 HIS A 94 2.500 -3.288 6.011 1.00 71.45 N ATOM 1511 CD2 HIS A 94 0.358 -3.677 5.842 1.00 21.22 C ATOM 1512 CE1 HIS A 94 2.259 -3.609 4.752 1.00 52.52 C ATOM 1513 NE2 HIS A 94 0.967 -3.850 4.623 1.00 14.43 N ATOM 0 H HIS A 94 0.565 -3.181 10.564 1.00 22.14 H new ATOM 0 HA HIS A 94 1.384 -5.107 8.620 1.00 33.11 H new ATOM 0 HB2 HIS A 94 0.217 -2.732 8.436 1.00 12.01 H new ATOM 0 HB3 HIS A 94 1.866 -2.140 8.399 1.00 12.01 H new ATOM 0 HD1 HIS A 94 3.415 -3.053 6.395 1.00 71.45 H new ATOM 0 HD2 HIS A 94 -0.693 -3.802 6.056 1.00 21.22 H new ATOM 0 HE1 HIS A 94 2.994 -3.665 3.963 1.00 52.52 H new ATOM 1521 N ILE A 95 3.655 -4.053 10.486 1.00 13.30 N ATOM 1522 CA ILE A 95 5.084 -4.034 10.772 1.00 33.34 C ATOM 1523 C ILE A 95 5.543 -5.363 11.364 1.00 40.24 C ATOM 1524 O ILE A 95 6.662 -5.812 11.112 1.00 73.32 O ATOM 1525 CB ILE A 95 5.448 -2.898 11.746 1.00 22.45 C ATOM 1526 CG1 ILE A 95 4.967 -1.553 11.199 1.00 62.25 C ATOM 1527 CG2 ILE A 95 6.950 -2.871 11.990 1.00 13.11 C ATOM 1528 CD1 ILE A 95 6.024 -0.471 11.240 1.00 74.43 C ATOM 0 H ILE A 95 3.059 -3.979 11.310 1.00 13.30 H new ATOM 0 HA ILE A 95 5.594 -3.865 9.824 1.00 33.34 H new ATOM 0 HB ILE A 95 4.948 -3.081 12.697 1.00 22.45 H new ATOM 0 HG12 ILE A 95 4.635 -1.686 10.169 1.00 62.25 H new ATOM 0 HG13 ILE A 95 4.101 -1.225 11.773 1.00 62.25 H new ATOM 0 HG21 ILE A 95 7.192 -2.063 12.680 1.00 13.11 H new ATOM 0 HG22 ILE A 95 7.266 -3.822 12.419 1.00 13.11 H new ATOM 0 HG23 ILE A 95 7.469 -2.709 11.045 1.00 13.11 H new ATOM 0 HD11 ILE A 95 5.613 0.455 10.837 1.00 74.43 H new ATOM 0 HD12 ILE A 95 6.339 -0.309 12.271 1.00 74.43 H new ATOM 0 HD13 ILE A 95 6.882 -0.778 10.642 1.00 74.43 H new ATOM 1540 N CYS A 96 4.672 -5.987 12.149 1.00 42.11 N ATOM 1541 CA CYS A 96 4.988 -7.266 12.776 1.00 53.33 C ATOM 1542 C CYS A 96 4.196 -8.398 12.130 1.00 15.20 C ATOM 1543 O CYS A 96 3.959 -9.436 12.749 1.00 33.11 O ATOM 1544 CB CYS A 96 4.691 -7.209 14.275 1.00 73.41 C ATOM 1545 SG CYS A 96 5.516 -8.497 15.240 1.00 74.13 S ATOM 0 H CYS A 96 3.742 -5.629 12.367 1.00 42.11 H new ATOM 0 HA CYS A 96 6.050 -7.462 12.631 1.00 53.33 H new ATOM 0 HB2 CYS A 96 4.993 -6.234 14.658 1.00 73.41 H new ATOM 0 HB3 CYS A 96 3.614 -7.291 14.425 1.00 73.41 H new ATOM 0 HG CYS A 96 5.264 -9.660 14.717 1.00 74.13 H new ATOM 1551 N LEU A 97 3.787 -8.190 10.883 1.00 33.52 N ATOM 1552 CA LEU A 97 3.019 -9.193 10.153 1.00 31.21 C ATOM 1553 C LEU A 97 1.644 -9.392 10.783 1.00 2.33 C ATOM 1554 O LEU A 97 1.519 -10.001 11.846 1.00 11.02 O ATOM 1555 CB LEU A 97 3.776 -10.522 10.124 1.00 71.11 C ATOM 1556 CG LEU A 97 4.180 -11.034 8.741 1.00 44.00 C ATOM 1557 CD1 LEU A 97 2.953 -11.447 7.945 1.00 74.44 C ATOM 1558 CD2 LEU A 97 4.973 -9.973 7.991 1.00 71.54 C ATOM 0 H LEU A 97 3.974 -7.337 10.357 1.00 33.52 H new ATOM 0 HA LEU A 97 2.882 -8.837 9.132 1.00 31.21 H new ATOM 0 HB2 LEU A 97 4.677 -10.417 10.728 1.00 71.11 H new ATOM 0 HB3 LEU A 97 3.157 -11.280 10.604 1.00 71.11 H new ATOM 0 HG LEU A 97 4.815 -11.911 8.870 1.00 44.00 H new ATOM 0 HD11 LEU A 97 3.261 -11.809 6.964 1.00 74.44 H new ATOM 0 HD12 LEU A 97 2.425 -12.240 8.475 1.00 74.44 H new ATOM 0 HD13 LEU A 97 2.292 -10.589 7.825 1.00 74.44 H new ATOM 0 HD21 LEU A 97 5.252 -10.354 7.009 1.00 71.54 H new ATOM 0 HD22 LEU A 97 4.362 -9.078 7.873 1.00 71.54 H new ATOM 0 HD23 LEU A 97 5.873 -9.726 8.554 1.00 71.54 H new ATOM 1570 N HIS A 98 0.614 -8.875 10.120 1.00 65.30 N ATOM 1571 CA HIS A 98 -0.752 -8.998 10.614 1.00 74.31 C ATOM 1572 C HIS A 98 -1.368 -10.327 10.185 1.00 25.12 C ATOM 1573 O HIS A 98 -2.240 -10.867 10.866 1.00 3.10 O ATOM 1574 CB HIS A 98 -1.608 -7.839 10.103 1.00 0.43 C ATOM 1575 CG HIS A 98 -2.040 -7.995 8.678 1.00 63.12 C ATOM 1576 ND1 HIS A 98 -3.362 -8.000 8.288 1.00 15.12 N ATOM 1577 CD2 HIS A 98 -1.315 -8.151 7.545 1.00 30.43 C ATOM 1578 CE1 HIS A 98 -3.433 -8.154 6.978 1.00 22.11 C ATOM 1579 NE2 HIS A 98 -2.204 -8.248 6.503 1.00 1.01 N ATOM 0 H HIS A 98 0.700 -8.367 9.240 1.00 65.30 H new ATOM 0 HA HIS A 98 -0.722 -8.966 11.703 1.00 74.31 H new ATOM 0 HB2 HIS A 98 -2.492 -7.746 10.734 1.00 0.43 H new ATOM 0 HB3 HIS A 98 -1.045 -6.911 10.204 1.00 0.43 H new ATOM 0 HD2 HIS A 98 -0.238 -8.192 7.474 1.00 30.43 H new ATOM 0 HE1 HIS A 98 -4.341 -8.196 6.395 1.00 22.11 H new ATOM 0 HE2 HIS A 98 -1.956 -8.372 5.522 1.00 1.01 H new ATOM 1587 N ASP A 99 -0.908 -10.848 9.053 1.00 60.01 N ATOM 1588 CA ASP A 99 -1.413 -12.114 8.533 1.00 3.33 C ATOM 1589 C ASP A 99 -1.151 -13.249 9.518 1.00 4.33 C ATOM 1590 O ASP A 99 -1.762 -14.314 9.431 1.00 15.41 O ATOM 1591 CB ASP A 99 -0.763 -12.431 7.185 1.00 35.54 C ATOM 1592 CG ASP A 99 -1.143 -13.806 6.670 1.00 50.44 C ATOM 1593 OD1 ASP A 99 -2.298 -14.225 6.892 1.00 55.24 O ATOM 1594 OD2 ASP A 99 -0.285 -14.462 6.043 1.00 1.52 O ATOM 0 H ASP A 99 -0.186 -10.414 8.478 1.00 60.01 H new ATOM 0 HA ASP A 99 -2.490 -12.019 8.395 1.00 3.33 H new ATOM 0 HB2 ASP A 99 -1.060 -11.678 6.455 1.00 35.54 H new ATOM 0 HB3 ASP A 99 0.321 -12.370 7.284 1.00 35.54 H new ATOM 1599 N TYR A 100 -0.237 -13.014 10.454 1.00 52.02 N ATOM 1600 CA TYR A 100 0.109 -14.018 11.453 1.00 13.32 C ATOM 1601 C TYR A 100 -1.033 -14.214 12.446 1.00 1.32 C ATOM 1602 O TYR A 100 -1.067 -15.199 13.183 1.00 20.22 O ATOM 1603 CB TYR A 100 1.382 -13.610 12.197 1.00 72.04 C ATOM 1604 CG TYR A 100 2.647 -14.164 11.580 1.00 14.50 C ATOM 1605 CD1 TYR A 100 2.799 -14.231 10.201 1.00 40.43 C ATOM 1606 CD2 TYR A 100 3.690 -14.619 12.377 1.00 13.33 C ATOM 1607 CE1 TYR A 100 3.953 -14.736 9.633 1.00 35.34 C ATOM 1608 CE2 TYR A 100 4.847 -15.125 11.819 1.00 45.44 C ATOM 1609 CZ TYR A 100 4.974 -15.182 10.446 1.00 11.23 C ATOM 1610 OH TYR A 100 6.125 -15.685 9.885 1.00 41.11 O ATOM 0 H TYR A 100 0.277 -12.137 10.541 1.00 52.02 H new ATOM 0 HA TYR A 100 0.284 -14.962 10.937 1.00 13.32 H new ATOM 0 HB2 TYR A 100 1.446 -12.522 12.222 1.00 72.04 H new ATOM 0 HB3 TYR A 100 1.313 -13.949 13.231 1.00 72.04 H new ATOM 0 HD1 TYR A 100 2.001 -13.882 9.562 1.00 40.43 H new ATOM 0 HD2 TYR A 100 3.594 -14.576 13.452 1.00 13.33 H new ATOM 0 HE1 TYR A 100 4.055 -14.781 8.559 1.00 35.34 H new ATOM 0 HE2 TYR A 100 5.648 -15.474 12.453 1.00 45.44 H new ATOM 0 HH TYR A 100 6.744 -15.954 10.595 1.00 41.11 H new ATOM 1620 N ARG A 101 -1.966 -13.268 12.459 1.00 54.13 N ATOM 1621 CA ARG A 101 -3.110 -13.335 13.361 1.00 42.23 C ATOM 1622 C ARG A 101 -4.410 -13.060 12.611 1.00 33.12 C ATOM 1623 O ARG A 101 -4.481 -12.151 11.785 1.00 61.10 O ATOM 1624 CB ARG A 101 -2.945 -12.331 14.503 1.00 50.42 C ATOM 1625 CG ARG A 101 -1.998 -12.800 15.595 1.00 63.22 C ATOM 1626 CD ARG A 101 -2.757 -13.305 16.812 1.00 50.21 C ATOM 1627 NE ARG A 101 -2.536 -14.730 17.043 1.00 50.22 N ATOM 1628 CZ ARG A 101 -3.375 -15.503 17.724 1.00 44.31 C ATOM 1629 NH1 ARG A 101 -4.484 -14.991 18.238 1.00 54.41 N ATOM 1630 NH2 ARG A 101 -3.104 -16.791 17.892 1.00 51.15 N ATOM 0 H ARG A 101 -1.952 -12.446 11.855 1.00 54.13 H new ATOM 0 HA ARG A 101 -3.156 -14.342 13.776 1.00 42.23 H new ATOM 0 HB2 ARG A 101 -2.579 -11.388 14.096 1.00 50.42 H new ATOM 0 HB3 ARG A 101 -3.922 -12.130 14.943 1.00 50.42 H new ATOM 0 HG2 ARG A 101 -1.359 -13.594 15.208 1.00 63.22 H new ATOM 0 HG3 ARG A 101 -1.344 -11.979 15.888 1.00 63.22 H new ATOM 0 HD2 ARG A 101 -2.446 -12.743 17.692 1.00 50.21 H new ATOM 0 HD3 ARG A 101 -3.823 -13.121 16.677 1.00 50.21 H new ATOM 0 HE ARG A 101 -1.691 -15.155 16.661 1.00 50.22 H new ATOM 0 HH11 ARG A 101 -4.695 -14.001 18.111 1.00 54.41 H new ATOM 0 HH12 ARG A 101 -5.126 -15.587 18.760 1.00 54.41 H new ATOM 0 HH21 ARG A 101 -2.251 -17.188 17.498 1.00 51.15 H new ATOM 0 HH22 ARG A 101 -3.749 -17.384 18.415 1.00 51.15 H new ATOM 1644 N GLU A 102 -5.436 -13.853 12.906 1.00 11.30 N ATOM 1645 CA GLU A 102 -6.733 -13.695 12.259 1.00 51.04 C ATOM 1646 C GLU A 102 -7.324 -12.319 12.552 1.00 0.02 C ATOM 1647 O GLU A 102 -8.515 -12.224 12.846 1.00 63.41 O ATOM 1648 CB GLU A 102 -7.698 -14.787 12.727 1.00 43.34 C ATOM 1649 CG GLU A 102 -8.672 -15.240 11.652 1.00 1.41 C ATOM 1650 CD GLU A 102 -10.067 -15.484 12.195 1.00 44.04 C ATOM 1651 OE1 GLU A 102 -10.186 -16.147 13.246 1.00 5.04 O ATOM 1652 OE2 GLU A 102 -11.039 -15.013 11.568 1.00 25.01 O ATOM 0 H GLU A 102 -5.394 -14.610 13.588 1.00 11.30 H new ATOM 0 HA GLU A 102 -6.586 -13.786 11.183 1.00 51.04 H new ATOM 0 HB2 GLU A 102 -7.122 -15.647 13.069 1.00 43.34 H new ATOM 0 HB3 GLU A 102 -8.262 -14.419 13.584 1.00 43.34 H new ATOM 0 HG2 GLU A 102 -8.718 -14.485 10.867 1.00 1.41 H new ATOM 0 HG3 GLU A 102 -8.300 -16.155 11.192 1.00 1.41 H new TER 1659 GLU A 102