USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.581 K(o=-0.58,f=-1.2) USER MOD Set 2.1: A 17 SER OG : rot 117:sc= 0.127 USER MOD Set 2.2: A 28 SER OG : rot 135:sc= 0.147 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.121 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -64:sc= -0.0475 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.0167 USER MOD Single : A 19 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.3) USER MOD Single : A 23 SER OG : rot -122:sc= 1.19 USER MOD Single : A 25 ASN : amide:sc= -0.944 K(o=-0.94,f=-9.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -53:sc= 0.395 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 36 SER OG : rot 180:sc= 0.122 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.46 K(o=-3.5,f=-2.2) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= -0.181 (180deg=-0.808) USER MOD Single : A 55 SER OG : rot 180:sc=7.83e-05 USER MOD Single : A 64 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.67) USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= 0.402 (180deg=-0.145) USER MOD Single : A 69 ASN : amide:sc= -3.46 K(o=-3.5,f=-2.7!) USER MOD Single : A 71 SER OG : rot -31:sc= 0.79 USER MOD Single : A 72 SER OG : rot -15:sc= 0.388 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.364 USER MOD Single : A 79 SER OG : rot 61:sc= 0.423 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.0307 USER MOD Single : A 96 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.00691) USER MOD Single : A 103 GLN : amide:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.975) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.252 -0.078 -0.644 1.00 12.42 N ATOM 2 CA ALA A 1 0.944 -0.254 -1.914 1.00 44.12 C ATOM 3 C ALA A 1 1.904 -1.438 -1.857 1.00 12.32 C ATOM 4 O ALA A 1 2.204 -1.954 -0.780 1.00 11.43 O ATOM 5 CB ALA A 1 1.693 1.017 -2.288 1.00 71.11 C ATOM 0 H1 ALA A 1 -0.765 -0.250 -0.776 1.00 12.42 H new ATOM 0 H2 ALA A 1 0.629 -0.751 0.053 1.00 12.42 H new ATOM 0 H3 ALA A 1 0.397 0.893 -0.301 1.00 12.42 H new ATOM 0 HA ALA A 1 0.197 -0.462 -2.680 1.00 44.12 H new ATOM 0 HB1 ALA A 1 2.205 0.871 -3.239 1.00 71.11 H new ATOM 0 HB2 ALA A 1 0.987 1.842 -2.379 1.00 71.11 H new ATOM 0 HB3 ALA A 1 2.424 1.250 -1.514 1.00 71.11 H new ATOM 11 N ILE A 2 2.381 -1.864 -3.021 1.00 50.45 N ATOM 12 CA ILE A 2 3.307 -2.987 -3.103 1.00 13.45 C ATOM 13 C ILE A 2 4.661 -2.544 -3.645 1.00 25.11 C ATOM 14 O ILE A 2 5.700 -3.099 -3.283 1.00 74.20 O ATOM 15 CB ILE A 2 2.751 -4.111 -3.996 1.00 51.02 C ATOM 16 CG1 ILE A 2 3.643 -5.351 -3.908 1.00 0.25 C ATOM 17 CG2 ILE A 2 2.637 -3.635 -5.437 1.00 25.31 C ATOM 18 CD1 ILE A 2 3.552 -6.067 -2.578 1.00 43.40 C ATOM 0 H ILE A 2 2.142 -1.448 -3.921 1.00 50.45 H new ATOM 0 HA ILE A 2 3.432 -3.368 -2.089 1.00 13.45 H new ATOM 0 HB ILE A 2 1.755 -4.377 -3.642 1.00 51.02 H new ATOM 0 HG12 ILE A 2 3.369 -6.043 -4.704 1.00 0.25 H new ATOM 0 HG13 ILE A 2 4.678 -5.058 -4.084 1.00 0.25 H new ATOM 0 HG21 ILE A 2 2.243 -4.441 -6.056 1.00 25.31 H new ATOM 0 HG22 ILE A 2 1.965 -2.778 -5.485 1.00 25.31 H new ATOM 0 HG23 ILE A 2 3.622 -3.345 -5.803 1.00 25.31 H new ATOM 0 HD11 ILE A 2 4.210 -6.936 -2.587 1.00 43.40 H new ATOM 0 HD12 ILE A 2 3.855 -5.390 -1.779 1.00 43.40 H new ATOM 0 HD13 ILE A 2 2.525 -6.391 -2.409 1.00 43.40 H new ATOM 30 N THR A 3 4.645 -1.539 -4.515 1.00 0.12 N ATOM 31 CA THR A 3 5.872 -1.021 -5.107 1.00 54.41 C ATOM 32 C THR A 3 6.866 -0.599 -4.032 1.00 10.35 C ATOM 33 O THR A 3 8.076 -0.596 -4.258 1.00 61.11 O ATOM 34 CB THR A 3 5.587 0.182 -6.027 1.00 31.21 C ATOM 35 OG1 THR A 3 4.973 1.237 -5.278 1.00 71.33 O ATOM 36 CG2 THR A 3 4.681 -0.222 -7.180 1.00 40.05 C ATOM 0 H THR A 3 3.795 -1.068 -4.825 1.00 0.12 H new ATOM 0 HA THR A 3 6.303 -1.829 -5.699 1.00 54.41 H new ATOM 0 HB THR A 3 6.535 0.532 -6.436 1.00 31.21 H new ATOM 0 HG1 THR A 3 4.797 1.998 -5.869 1.00 71.33 H new ATOM 0 HG21 THR A 3 4.494 0.643 -7.816 1.00 40.05 H new ATOM 0 HG22 THR A 3 5.164 -1.005 -7.765 1.00 40.05 H new ATOM 0 HG23 THR A 3 3.735 -0.594 -6.786 1.00 40.05 H new ATOM 44 N ASP A 4 6.349 -0.243 -2.861 1.00 35.32 N ATOM 45 CA ASP A 4 7.192 0.179 -1.749 1.00 31.14 C ATOM 46 C ASP A 4 8.186 -0.916 -1.374 1.00 34.22 C ATOM 47 O ASP A 4 9.217 -0.647 -0.757 1.00 33.44 O ATOM 48 CB ASP A 4 6.332 0.541 -0.537 1.00 35.51 C ATOM 49 CG ASP A 4 5.735 1.930 -0.644 1.00 41.23 C ATOM 50 OD1 ASP A 4 6.465 2.911 -0.388 1.00 32.11 O ATOM 51 OD2 ASP A 4 4.539 2.037 -0.986 1.00 12.14 O ATOM 0 H ASP A 4 5.350 -0.238 -2.658 1.00 35.32 H new ATOM 0 HA ASP A 4 7.751 1.060 -2.064 1.00 31.14 H new ATOM 0 HB2 ASP A 4 5.529 -0.189 -0.434 1.00 35.51 H new ATOM 0 HB3 ASP A 4 6.938 0.478 0.367 1.00 35.51 H new ATOM 56 N ILE A 5 7.868 -2.150 -1.750 1.00 32.30 N ATOM 57 CA ILE A 5 8.733 -3.285 -1.453 1.00 73.42 C ATOM 58 C ILE A 5 9.279 -3.910 -2.733 1.00 11.32 C ATOM 59 O ILE A 5 10.488 -4.088 -2.882 1.00 64.34 O ATOM 60 CB ILE A 5 7.988 -4.365 -0.646 1.00 53.01 C ATOM 61 CG1 ILE A 5 6.879 -3.729 0.195 1.00 31.42 C ATOM 62 CG2 ILE A 5 8.960 -5.129 0.240 1.00 61.33 C ATOM 63 CD1 ILE A 5 6.169 -4.712 1.100 1.00 55.31 C ATOM 0 H ILE A 5 7.018 -2.389 -2.261 1.00 32.30 H new ATOM 0 HA ILE A 5 9.561 -2.903 -0.856 1.00 73.42 H new ATOM 0 HB ILE A 5 7.532 -5.069 -1.343 1.00 53.01 H new ATOM 0 HG12 ILE A 5 7.307 -2.931 0.803 1.00 31.42 H new ATOM 0 HG13 ILE A 5 6.149 -3.267 -0.470 1.00 31.42 H new ATOM 0 HG21 ILE A 5 8.418 -5.889 0.804 1.00 61.33 H new ATOM 0 HG22 ILE A 5 9.717 -5.609 -0.380 1.00 61.33 H new ATOM 0 HG23 ILE A 5 9.442 -4.438 0.932 1.00 61.33 H new ATOM 0 HD11 ILE A 5 5.396 -4.192 1.666 1.00 55.31 H new ATOM 0 HD12 ILE A 5 5.712 -5.497 0.497 1.00 55.31 H new ATOM 0 HD13 ILE A 5 6.887 -5.156 1.789 1.00 55.31 H new ATOM 75 N LEU A 6 8.380 -4.238 -3.654 1.00 63.24 N ATOM 76 CA LEU A 6 8.772 -4.841 -4.924 1.00 33.22 C ATOM 77 C LEU A 6 9.058 -3.769 -5.970 1.00 62.24 C ATOM 78 O LEU A 6 8.971 -2.574 -5.689 1.00 55.04 O ATOM 79 CB LEU A 6 7.673 -5.779 -5.426 1.00 35.23 C ATOM 80 CG LEU A 6 7.910 -7.273 -5.199 1.00 53.23 C ATOM 81 CD1 LEU A 6 8.354 -7.532 -3.768 1.00 44.32 C ATOM 82 CD2 LEU A 6 6.652 -8.067 -5.521 1.00 64.21 C ATOM 0 H LEU A 6 7.376 -4.097 -3.546 1.00 63.24 H new ATOM 0 HA LEU A 6 9.684 -5.415 -4.760 1.00 33.22 H new ATOM 0 HB2 LEU A 6 6.737 -5.502 -4.941 1.00 35.23 H new ATOM 0 HB3 LEU A 6 7.540 -5.611 -6.495 1.00 35.23 H new ATOM 0 HG LEU A 6 8.705 -7.601 -5.869 1.00 53.23 H new ATOM 0 HD11 LEU A 6 8.518 -8.600 -3.626 1.00 44.32 H new ATOM 0 HD12 LEU A 6 9.281 -6.993 -3.572 1.00 44.32 H new ATOM 0 HD13 LEU A 6 7.582 -7.188 -3.080 1.00 44.32 H new ATOM 0 HD21 LEU A 6 6.839 -9.128 -5.354 1.00 64.21 H new ATOM 0 HD22 LEU A 6 5.838 -7.736 -4.876 1.00 64.21 H new ATOM 0 HD23 LEU A 6 6.377 -7.907 -6.564 1.00 64.21 H new ATOM 94 N SER A 7 9.399 -4.205 -7.179 1.00 30.41 N ATOM 95 CA SER A 7 9.700 -3.283 -8.268 1.00 31.23 C ATOM 96 C SER A 7 8.709 -3.456 -9.415 1.00 41.40 C ATOM 97 O SER A 7 8.444 -4.573 -9.858 1.00 42.53 O ATOM 98 CB SER A 7 11.127 -3.506 -8.773 1.00 54.21 C ATOM 99 OG SER A 7 11.992 -2.475 -8.329 1.00 14.01 O ATOM 0 H SER A 7 9.474 -5.191 -7.429 1.00 30.41 H new ATOM 0 HA SER A 7 9.613 -2.266 -7.886 1.00 31.23 H new ATOM 0 HB2 SER A 7 11.494 -4.470 -8.421 1.00 54.21 H new ATOM 0 HB3 SER A 7 11.129 -3.543 -9.862 1.00 54.21 H new ATOM 0 HG SER A 7 12.898 -2.641 -8.663 1.00 14.01 H new ATOM 105 N ALA A 8 8.165 -2.340 -9.891 1.00 32.41 N ATOM 106 CA ALA A 8 7.205 -2.367 -10.988 1.00 10.55 C ATOM 107 C ALA A 8 7.783 -3.079 -12.206 1.00 14.31 C ATOM 108 O ALA A 8 7.084 -3.825 -12.891 1.00 75.51 O ATOM 109 CB ALA A 8 6.782 -0.951 -11.352 1.00 71.34 C ATOM 0 H ALA A 8 8.373 -1.407 -9.534 1.00 32.41 H new ATOM 0 HA ALA A 8 6.328 -2.924 -10.658 1.00 10.55 H new ATOM 0 HB1 ALA A 8 6.065 -0.985 -12.172 1.00 71.34 H new ATOM 0 HB2 ALA A 8 6.321 -0.475 -10.487 1.00 71.34 H new ATOM 0 HB3 ALA A 8 7.657 -0.377 -11.658 1.00 71.34 H new ATOM 115 N LYS A 9 9.063 -2.843 -12.471 1.00 50.25 N ATOM 116 CA LYS A 9 9.736 -3.462 -13.607 1.00 40.22 C ATOM 117 C LYS A 9 10.110 -4.907 -13.296 1.00 70.51 C ATOM 118 O LYS A 9 10.631 -5.622 -14.153 1.00 13.11 O ATOM 119 CB LYS A 9 10.991 -2.668 -13.978 1.00 13.34 C ATOM 120 CG LYS A 9 11.290 -2.664 -15.467 1.00 4.54 C ATOM 121 CD LYS A 9 12.176 -1.491 -15.854 1.00 15.20 C ATOM 122 CE LYS A 9 11.924 -1.053 -17.289 1.00 25.21 C ATOM 123 NZ LYS A 9 10.701 -0.213 -17.406 1.00 51.45 N ATOM 0 H LYS A 9 9.656 -2.227 -11.914 1.00 50.25 H new ATOM 0 HA LYS A 9 9.047 -3.457 -14.452 1.00 40.22 H new ATOM 0 HB2 LYS A 9 10.874 -1.639 -13.637 1.00 13.34 H new ATOM 0 HB3 LYS A 9 11.846 -3.085 -13.445 1.00 13.34 H new ATOM 0 HG2 LYS A 9 11.780 -3.598 -15.743 1.00 4.54 H new ATOM 0 HG3 LYS A 9 10.356 -2.616 -16.027 1.00 4.54 H new ATOM 0 HD2 LYS A 9 11.991 -0.655 -15.179 1.00 15.20 H new ATOM 0 HD3 LYS A 9 13.223 -1.770 -15.736 1.00 15.20 H new ATOM 0 HE2 LYS A 9 12.785 -0.493 -17.654 1.00 25.21 H new ATOM 0 HE3 LYS A 9 11.822 -1.933 -17.925 1.00 25.21 H new ATOM 0 HZ1 LYS A 9 10.564 0.065 -18.399 1.00 51.45 H new ATOM 0 HZ2 LYS A 9 9.875 -0.755 -17.081 1.00 51.45 H new ATOM 0 HZ3 LYS A 9 10.808 0.639 -16.820 1.00 51.45 H new ATOM 137 N ASP A 10 9.840 -5.332 -12.067 1.00 31.13 N ATOM 138 CA ASP A 10 10.146 -6.694 -11.644 1.00 12.34 C ATOM 139 C ASP A 10 8.874 -7.529 -11.540 1.00 34.25 C ATOM 140 O ASP A 10 8.887 -8.733 -11.799 1.00 50.34 O ATOM 141 CB ASP A 10 10.874 -6.681 -10.299 1.00 21.23 C ATOM 142 CG ASP A 10 12.204 -5.956 -10.367 1.00 15.20 C ATOM 143 OD1 ASP A 10 12.508 -5.375 -11.429 1.00 51.33 O ATOM 144 OD2 ASP A 10 12.940 -5.970 -9.358 1.00 60.02 O ATOM 0 H ASP A 10 9.410 -4.753 -11.346 1.00 31.13 H new ATOM 0 HA ASP A 10 10.795 -7.145 -12.395 1.00 12.34 H new ATOM 0 HB2 ASP A 10 10.241 -6.203 -9.551 1.00 21.23 H new ATOM 0 HB3 ASP A 10 11.039 -7.707 -9.969 1.00 21.23 H new ATOM 149 N ILE A 11 7.777 -6.883 -11.157 1.00 64.11 N ATOM 150 CA ILE A 11 6.497 -7.567 -11.019 1.00 5.32 C ATOM 151 C ILE A 11 5.948 -7.984 -12.378 1.00 74.54 C ATOM 152 O ILE A 11 5.414 -9.083 -12.532 1.00 1.43 O ATOM 153 CB ILE A 11 5.459 -6.679 -10.308 1.00 52.23 C ATOM 154 CG1 ILE A 11 5.931 -6.336 -8.894 1.00 32.43 C ATOM 155 CG2 ILE A 11 4.107 -7.375 -10.268 1.00 15.45 C ATOM 156 CD1 ILE A 11 5.453 -4.986 -8.407 1.00 74.24 C ATOM 0 H ILE A 11 7.749 -5.887 -10.937 1.00 64.11 H new ATOM 0 HA ILE A 11 6.677 -8.456 -10.415 1.00 5.32 H new ATOM 0 HB ILE A 11 5.351 -5.750 -10.869 1.00 52.23 H new ATOM 0 HG12 ILE A 11 5.581 -7.106 -8.206 1.00 32.43 H new ATOM 0 HG13 ILE A 11 7.020 -6.357 -8.868 1.00 32.43 H new ATOM 0 HG21 ILE A 11 3.383 -6.735 -9.763 1.00 15.45 H new ATOM 0 HG22 ILE A 11 3.769 -7.572 -11.285 1.00 15.45 H new ATOM 0 HG23 ILE A 11 4.199 -8.317 -9.727 1.00 15.45 H new ATOM 0 HD11 ILE A 11 5.826 -4.810 -7.398 1.00 74.24 H new ATOM 0 HD12 ILE A 11 5.825 -4.207 -9.072 1.00 74.24 H new ATOM 0 HD13 ILE A 11 4.363 -4.967 -8.400 1.00 74.24 H new ATOM 168 N GLU A 12 6.084 -7.101 -13.362 1.00 75.15 N ATOM 169 CA GLU A 12 5.601 -7.379 -14.710 1.00 32.40 C ATOM 170 C GLU A 12 6.509 -8.382 -15.417 1.00 51.50 C ATOM 171 O GLU A 12 6.107 -9.022 -16.388 1.00 52.14 O ATOM 172 CB GLU A 12 5.519 -6.086 -15.524 1.00 30.23 C ATOM 173 CG GLU A 12 6.865 -5.607 -16.042 1.00 14.24 C ATOM 174 CD GLU A 12 6.871 -4.125 -16.365 1.00 21.31 C ATOM 175 OE1 GLU A 12 5.790 -3.502 -16.317 1.00 61.20 O ATOM 176 OE2 GLU A 12 7.958 -3.589 -16.666 1.00 23.22 O ATOM 0 H GLU A 12 6.524 -6.188 -13.251 1.00 75.15 H new ATOM 0 HA GLU A 12 4.604 -7.812 -14.629 1.00 32.40 H new ATOM 0 HB2 GLU A 12 4.848 -6.240 -16.369 1.00 30.23 H new ATOM 0 HB3 GLU A 12 5.078 -5.304 -14.905 1.00 30.23 H new ATOM 0 HG2 GLU A 12 7.632 -5.816 -15.297 1.00 14.24 H new ATOM 0 HG3 GLU A 12 7.128 -6.171 -16.937 1.00 14.24 H new ATOM 183 N SER A 13 7.736 -8.511 -14.922 1.00 52.14 N ATOM 184 CA SER A 13 8.703 -9.431 -15.509 1.00 22.24 C ATOM 185 C SER A 13 8.585 -10.816 -14.880 1.00 24.31 C ATOM 186 O SER A 13 9.432 -11.682 -15.097 1.00 22.51 O ATOM 187 CB SER A 13 10.124 -8.895 -15.326 1.00 64.01 C ATOM 188 OG SER A 13 10.822 -9.627 -14.333 1.00 40.03 O ATOM 0 H SER A 13 8.084 -7.990 -14.117 1.00 52.14 H new ATOM 0 HA SER A 13 8.488 -9.515 -16.574 1.00 22.24 H new ATOM 0 HB2 SER A 13 10.663 -8.954 -16.272 1.00 64.01 H new ATOM 0 HB3 SER A 13 10.086 -7.842 -15.046 1.00 64.01 H new ATOM 0 HG SER A 13 10.382 -9.504 -13.466 1.00 40.03 H new ATOM 194 N ALA A 14 7.529 -11.017 -14.100 1.00 15.05 N ATOM 195 CA ALA A 14 7.298 -12.296 -13.440 1.00 74.44 C ATOM 196 C ALA A 14 5.937 -12.871 -13.819 1.00 33.13 C ATOM 197 O ALA A 14 5.774 -14.087 -13.928 1.00 75.12 O ATOM 198 CB ALA A 14 7.405 -12.139 -11.931 1.00 21.32 C ATOM 0 H ALA A 14 6.819 -10.310 -13.909 1.00 15.05 H new ATOM 0 HA ALA A 14 8.065 -12.994 -13.776 1.00 74.44 H new ATOM 0 HB1 ALA A 14 7.230 -13.102 -11.452 1.00 21.32 H new ATOM 0 HB2 ALA A 14 8.401 -11.780 -11.672 1.00 21.32 H new ATOM 0 HB3 ALA A 14 6.660 -11.422 -11.586 1.00 21.32 H new ATOM 204 N LEU A 15 4.962 -11.990 -14.017 1.00 22.43 N ATOM 205 CA LEU A 15 3.614 -12.410 -14.383 1.00 31.54 C ATOM 206 C LEU A 15 3.583 -12.966 -15.803 1.00 23.44 C ATOM 207 O LEU A 15 3.191 -14.112 -16.023 1.00 71.20 O ATOM 208 CB LEU A 15 2.642 -11.236 -14.262 1.00 11.55 C ATOM 209 CG LEU A 15 2.185 -10.885 -12.845 1.00 22.41 C ATOM 210 CD1 LEU A 15 1.422 -9.570 -12.840 1.00 35.31 C ATOM 211 CD2 LEU A 15 1.329 -12.004 -12.269 1.00 52.20 C ATOM 0 H LEU A 15 5.080 -10.981 -13.930 1.00 22.43 H new ATOM 0 HA LEU A 15 3.308 -13.200 -13.697 1.00 31.54 H new ATOM 0 HB2 LEU A 15 3.112 -10.355 -14.699 1.00 11.55 H new ATOM 0 HB3 LEU A 15 1.760 -11.458 -14.862 1.00 11.55 H new ATOM 0 HG LEU A 15 3.068 -10.770 -12.217 1.00 22.41 H new ATOM 0 HD11 LEU A 15 1.105 -9.337 -11.823 1.00 35.31 H new ATOM 0 HD12 LEU A 15 2.067 -8.773 -13.210 1.00 35.31 H new ATOM 0 HD13 LEU A 15 0.546 -9.655 -13.483 1.00 35.31 H new ATOM 0 HD21 LEU A 15 1.013 -11.738 -11.261 1.00 52.20 H new ATOM 0 HD22 LEU A 15 0.451 -12.151 -12.898 1.00 52.20 H new ATOM 0 HD23 LEU A 15 1.910 -12.926 -12.235 1.00 52.20 H new ATOM 223 N SER A 16 4.002 -12.148 -16.762 1.00 52.44 N ATOM 224 CA SER A 16 4.021 -12.557 -18.162 1.00 11.22 C ATOM 225 C SER A 16 5.388 -13.114 -18.546 1.00 42.14 C ATOM 226 O SER A 16 5.777 -13.084 -19.714 1.00 10.21 O ATOM 227 CB SER A 16 3.667 -11.374 -19.066 1.00 33.52 C ATOM 228 OG SER A 16 3.613 -10.166 -18.327 1.00 63.14 O ATOM 0 H SER A 16 4.333 -11.198 -16.596 1.00 52.44 H new ATOM 0 HA SER A 16 3.277 -13.342 -18.296 1.00 11.22 H new ATOM 0 HB2 SER A 16 4.408 -11.285 -19.861 1.00 33.52 H new ATOM 0 HB3 SER A 16 2.705 -11.554 -19.546 1.00 33.52 H new ATOM 0 HG SER A 16 3.387 -9.425 -18.927 1.00 63.14 H new ATOM 234 N SER A 17 6.113 -13.622 -17.555 1.00 62.10 N ATOM 235 CA SER A 17 7.439 -14.183 -17.787 1.00 41.13 C ATOM 236 C SER A 17 7.358 -15.687 -18.031 1.00 52.20 C ATOM 237 O SER A 17 7.958 -16.207 -18.972 1.00 74.53 O ATOM 238 CB SER A 17 8.353 -13.897 -16.594 1.00 42.23 C ATOM 239 OG SER A 17 8.925 -15.092 -16.092 1.00 33.14 O ATOM 0 H SER A 17 5.805 -13.657 -16.583 1.00 62.10 H new ATOM 0 HA SER A 17 7.856 -13.710 -18.676 1.00 41.13 H new ATOM 0 HB2 SER A 17 9.144 -13.210 -16.894 1.00 42.23 H new ATOM 0 HB3 SER A 17 7.784 -13.403 -15.806 1.00 42.23 H new ATOM 0 HG SER A 17 9.899 -15.057 -16.194 1.00 33.14 H new ATOM 245 N CYS A 18 6.612 -16.378 -17.177 1.00 21.54 N ATOM 246 CA CYS A 18 6.452 -17.823 -17.297 1.00 71.34 C ATOM 247 C CYS A 18 5.232 -18.166 -18.146 1.00 14.04 C ATOM 248 O CYS A 18 4.454 -19.055 -17.800 1.00 11.24 O ATOM 249 CB CYS A 18 6.321 -18.460 -15.913 1.00 62.21 C ATOM 250 SG CYS A 18 4.913 -17.856 -14.953 1.00 24.34 S ATOM 0 H CYS A 18 6.108 -15.961 -16.394 1.00 21.54 H new ATOM 0 HA CYS A 18 7.339 -18.222 -17.789 1.00 71.34 H new ATOM 0 HB2 CYS A 18 6.231 -19.540 -16.029 1.00 62.21 H new ATOM 0 HB3 CYS A 18 7.236 -18.274 -15.351 1.00 62.21 H new ATOM 0 HG CYS A 18 4.885 -18.455 -13.799 1.00 24.34 H new ATOM 256 N GLN A 19 5.070 -17.454 -19.256 1.00 44.21 N ATOM 257 CA GLN A 19 3.943 -17.682 -20.152 1.00 52.42 C ATOM 258 C GLN A 19 4.424 -18.119 -21.532 1.00 13.21 C ATOM 259 O GLN A 19 3.652 -18.143 -22.490 1.00 33.31 O ATOM 260 CB GLN A 19 3.096 -16.414 -20.272 1.00 54.34 C ATOM 261 CG GLN A 19 3.908 -15.165 -20.576 1.00 63.42 C ATOM 262 CD GLN A 19 4.435 -15.143 -21.998 1.00 30.45 C ATOM 263 OE1 GLN A 19 3.666 -15.061 -22.956 1.00 31.14 O ATOM 264 NE2 GLN A 19 5.753 -15.217 -22.142 1.00 10.00 N ATOM 0 H GLN A 19 5.705 -16.714 -19.556 1.00 44.21 H new ATOM 0 HA GLN A 19 3.332 -18.481 -19.731 1.00 52.42 H new ATOM 0 HB2 GLN A 19 2.355 -16.556 -21.059 1.00 54.34 H new ATOM 0 HB3 GLN A 19 2.549 -16.264 -19.342 1.00 54.34 H new ATOM 0 HG2 GLN A 19 3.289 -14.284 -20.408 1.00 63.42 H new ATOM 0 HG3 GLN A 19 4.746 -15.103 -19.881 1.00 63.42 H new ATOM 0 HE21 GLN A 19 6.353 -15.284 -21.320 1.00 10.00 H new ATOM 0 HE22 GLN A 19 6.165 -15.207 -23.075 1.00 10.00 H new ATOM 273 N ALA A 20 5.704 -18.463 -21.625 1.00 51.13 N ATOM 274 CA ALA A 20 6.287 -18.901 -22.887 1.00 41.24 C ATOM 275 C ALA A 20 6.697 -20.368 -22.823 1.00 21.22 C ATOM 276 O ALA A 20 6.345 -21.080 -21.883 1.00 2.13 O ATOM 277 CB ALA A 20 7.484 -18.032 -23.246 1.00 15.24 C ATOM 0 H ALA A 20 6.357 -18.447 -20.842 1.00 51.13 H new ATOM 0 HA ALA A 20 5.530 -18.796 -23.664 1.00 41.24 H new ATOM 0 HB1 ALA A 20 7.909 -18.371 -24.191 1.00 15.24 H new ATOM 0 HB2 ALA A 20 7.164 -16.994 -23.343 1.00 15.24 H new ATOM 0 HB3 ALA A 20 8.237 -18.108 -22.461 1.00 15.24 H new ATOM 283 N ALA A 21 7.442 -20.814 -23.829 1.00 24.33 N ATOM 284 CA ALA A 21 7.901 -22.197 -23.885 1.00 41.30 C ATOM 285 C ALA A 21 9.002 -22.452 -22.861 1.00 42.24 C ATOM 286 O ALA A 21 8.861 -23.302 -21.982 1.00 15.41 O ATOM 287 CB ALA A 21 8.391 -22.533 -25.285 1.00 63.55 C ATOM 0 H ALA A 21 7.741 -20.238 -24.616 1.00 24.33 H new ATOM 0 HA ALA A 21 7.058 -22.844 -23.642 1.00 41.30 H new ATOM 0 HB1 ALA A 21 8.731 -23.568 -25.313 1.00 63.55 H new ATOM 0 HB2 ALA A 21 7.577 -22.399 -25.997 1.00 63.55 H new ATOM 0 HB3 ALA A 21 9.217 -21.873 -25.550 1.00 63.55 H new ATOM 293 N ASP A 22 10.099 -21.712 -22.982 1.00 53.23 N ATOM 294 CA ASP A 22 11.224 -21.858 -22.067 1.00 5.22 C ATOM 295 C ASP A 22 11.656 -20.502 -21.516 1.00 20.44 C ATOM 296 O ASP A 22 12.848 -20.207 -21.429 1.00 71.31 O ATOM 297 CB ASP A 22 12.401 -22.532 -22.775 1.00 33.45 C ATOM 298 CG ASP A 22 12.854 -21.767 -24.002 1.00 4.53 C ATOM 299 OD1 ASP A 22 12.314 -22.026 -25.097 1.00 75.22 O ATOM 300 OD2 ASP A 22 13.750 -20.907 -23.867 1.00 13.25 O ATOM 0 H ASP A 22 10.233 -21.005 -23.705 1.00 53.23 H new ATOM 0 HA ASP A 22 10.904 -22.484 -21.234 1.00 5.22 H new ATOM 0 HB2 ASP A 22 13.235 -22.624 -22.079 1.00 33.45 H new ATOM 0 HB3 ASP A 22 12.116 -23.543 -23.066 1.00 33.45 H new ATOM 305 N SER A 23 10.678 -19.682 -21.145 1.00 45.51 N ATOM 306 CA SER A 23 10.957 -18.355 -20.607 1.00 31.22 C ATOM 307 C SER A 23 11.243 -18.426 -19.110 1.00 4.51 C ATOM 308 O SER A 23 12.006 -17.621 -18.574 1.00 31.24 O ATOM 309 CB SER A 23 9.777 -17.417 -20.868 1.00 74.51 C ATOM 310 OG SER A 23 10.064 -16.101 -20.429 1.00 63.14 O ATOM 0 H SER A 23 9.686 -19.913 -21.207 1.00 45.51 H new ATOM 0 HA SER A 23 11.841 -17.964 -21.111 1.00 31.22 H new ATOM 0 HB2 SER A 23 9.546 -17.406 -21.933 1.00 74.51 H new ATOM 0 HB3 SER A 23 8.891 -17.790 -20.354 1.00 74.51 H new ATOM 0 HG SER A 23 9.394 -15.822 -19.771 1.00 63.14 H new ATOM 316 N PHE A 24 10.626 -19.394 -18.441 1.00 4.33 N ATOM 317 CA PHE A 24 10.813 -19.570 -17.005 1.00 42.13 C ATOM 318 C PHE A 24 11.913 -20.589 -16.721 1.00 2.40 C ATOM 319 O PHE A 24 11.636 -21.738 -16.381 1.00 64.01 O ATOM 320 CB PHE A 24 9.505 -20.019 -16.351 1.00 2.25 C ATOM 321 CG PHE A 24 9.632 -20.282 -14.877 1.00 72.22 C ATOM 322 CD1 PHE A 24 10.202 -19.339 -14.038 1.00 3.20 C ATOM 323 CD2 PHE A 24 9.180 -21.473 -14.331 1.00 50.25 C ATOM 324 CE1 PHE A 24 10.321 -19.579 -12.682 1.00 73.11 C ATOM 325 CE2 PHE A 24 9.295 -21.719 -12.976 1.00 43.42 C ATOM 326 CZ PHE A 24 9.866 -20.770 -12.150 1.00 54.24 C ATOM 0 H PHE A 24 9.992 -20.069 -18.870 1.00 4.33 H new ATOM 0 HA PHE A 24 11.112 -18.611 -16.582 1.00 42.13 H new ATOM 0 HB2 PHE A 24 8.746 -19.253 -16.511 1.00 2.25 H new ATOM 0 HB3 PHE A 24 9.153 -20.925 -16.845 1.00 2.25 H new ATOM 0 HD1 PHE A 24 10.558 -18.405 -14.448 1.00 3.20 H new ATOM 0 HD2 PHE A 24 8.732 -22.218 -14.972 1.00 50.25 H new ATOM 0 HE1 PHE A 24 10.769 -18.836 -12.039 1.00 73.11 H new ATOM 0 HE2 PHE A 24 8.939 -22.651 -12.563 1.00 43.42 H new ATOM 0 HZ PHE A 24 9.956 -20.959 -11.091 1.00 54.24 H new ATOM 336 N ASN A 25 13.162 -20.157 -16.864 1.00 22.23 N ATOM 337 CA ASN A 25 14.305 -21.031 -16.624 1.00 32.14 C ATOM 338 C ASN A 25 15.028 -20.641 -15.338 1.00 52.52 C ATOM 339 O ASN A 25 14.581 -19.757 -14.606 1.00 70.21 O ATOM 340 CB ASN A 25 15.275 -20.973 -17.805 1.00 72.14 C ATOM 341 CG ASN A 25 16.115 -19.711 -17.802 1.00 40.34 C ATOM 342 OD1 ASN A 25 17.299 -19.741 -17.467 1.00 1.44 O ATOM 343 ND2 ASN A 25 15.504 -18.593 -18.177 1.00 42.32 N ATOM 0 H ASN A 25 13.408 -19.208 -17.145 1.00 22.23 H new ATOM 0 HA ASN A 25 13.934 -22.050 -16.517 1.00 32.14 H new ATOM 0 HB2 ASN A 25 15.931 -21.843 -17.776 1.00 72.14 H new ATOM 0 HB3 ASN A 25 14.712 -21.029 -18.737 1.00 72.14 H new ATOM 0 HD21 ASN A 25 16.018 -17.712 -18.195 1.00 42.32 H new ATOM 0 HD22 ASN A 25 14.521 -18.615 -18.447 1.00 42.32 H new ATOM 350 N TYR A 26 16.147 -21.304 -15.071 1.00 20.03 N ATOM 351 CA TYR A 26 16.932 -21.028 -13.873 1.00 55.01 C ATOM 352 C TYR A 26 17.206 -19.534 -13.734 1.00 41.31 C ATOM 353 O TYR A 26 17.278 -19.004 -12.625 1.00 51.52 O ATOM 354 CB TYR A 26 18.252 -21.799 -13.914 1.00 0.20 C ATOM 355 CG TYR A 26 18.953 -21.729 -15.252 1.00 11.21 C ATOM 356 CD1 TYR A 26 19.746 -20.638 -15.587 1.00 31.31 C ATOM 357 CD2 TYR A 26 18.823 -22.754 -16.181 1.00 14.02 C ATOM 358 CE1 TYR A 26 20.387 -20.570 -16.808 1.00 42.05 C ATOM 359 CE2 TYR A 26 19.461 -22.695 -17.404 1.00 45.23 C ATOM 360 CZ TYR A 26 20.242 -21.601 -17.714 1.00 2.44 C ATOM 361 OH TYR A 26 20.881 -21.537 -18.931 1.00 14.10 O ATOM 0 H TYR A 26 16.531 -22.037 -15.668 1.00 20.03 H new ATOM 0 HA TYR A 26 16.355 -21.355 -13.008 1.00 55.01 H new ATOM 0 HB2 TYR A 26 18.916 -21.406 -13.144 1.00 0.20 H new ATOM 0 HB3 TYR A 26 18.061 -22.843 -13.668 1.00 0.20 H new ATOM 0 HD1 TYR A 26 19.863 -19.830 -14.880 1.00 31.31 H new ATOM 0 HD2 TYR A 26 18.212 -23.612 -15.942 1.00 14.02 H new ATOM 0 HE1 TYR A 26 20.999 -19.714 -17.053 1.00 42.05 H new ATOM 0 HE2 TYR A 26 19.349 -23.501 -18.114 1.00 45.23 H new ATOM 0 HH TYR A 26 20.676 -22.342 -19.451 1.00 14.10 H new ATOM 371 N LYS A 27 17.358 -18.859 -14.869 1.00 4.15 N ATOM 372 CA LYS A 27 17.623 -17.425 -14.877 1.00 22.12 C ATOM 373 C LYS A 27 16.380 -16.640 -14.470 1.00 43.11 C ATOM 374 O LYS A 27 16.451 -15.735 -13.638 1.00 73.42 O ATOM 375 CB LYS A 27 18.089 -16.980 -16.265 1.00 2.32 C ATOM 376 CG LYS A 27 19.572 -17.199 -16.508 1.00 4.23 C ATOM 377 CD LYS A 27 19.856 -17.531 -17.963 1.00 60.21 C ATOM 378 CE LYS A 27 19.751 -16.298 -18.847 1.00 74.02 C ATOM 379 NZ LYS A 27 19.533 -16.657 -20.276 1.00 43.10 N ATOM 0 H LYS A 27 17.302 -19.282 -15.795 1.00 4.15 H new ATOM 0 HA LYS A 27 18.412 -17.222 -14.153 1.00 22.12 H new ATOM 0 HB2 LYS A 27 17.522 -17.523 -17.021 1.00 2.32 H new ATOM 0 HB3 LYS A 27 17.861 -15.922 -16.394 1.00 2.32 H new ATOM 0 HG2 LYS A 27 20.124 -16.303 -16.224 1.00 4.23 H new ATOM 0 HG3 LYS A 27 19.930 -18.009 -15.873 1.00 4.23 H new ATOM 0 HD2 LYS A 27 20.854 -17.959 -18.051 1.00 60.21 H new ATOM 0 HD3 LYS A 27 19.153 -18.289 -18.308 1.00 60.21 H new ATOM 0 HE2 LYS A 27 18.929 -15.672 -18.500 1.00 74.02 H new ATOM 0 HE3 LYS A 27 20.662 -15.707 -18.756 1.00 74.02 H new ATOM 0 HZ1 LYS A 27 19.467 -15.789 -20.846 1.00 43.10 H new ATOM 0 HZ2 LYS A 27 20.330 -17.234 -20.615 1.00 43.10 H new ATOM 0 HZ3 LYS A 27 18.650 -17.199 -20.367 1.00 43.10 H new ATOM 393 N SER A 28 15.243 -16.993 -15.061 1.00 2.20 N ATOM 394 CA SER A 28 13.985 -16.319 -14.761 1.00 60.35 C ATOM 395 C SER A 28 13.723 -16.300 -13.259 1.00 25.15 C ATOM 396 O SER A 28 13.064 -15.397 -12.743 1.00 31.31 O ATOM 397 CB SER A 28 12.827 -17.011 -15.483 1.00 62.43 C ATOM 398 OG SER A 28 11.821 -16.080 -15.843 1.00 63.44 O ATOM 0 H SER A 28 15.167 -17.741 -15.750 1.00 2.20 H new ATOM 0 HA SER A 28 14.060 -15.290 -15.112 1.00 60.35 H new ATOM 0 HB2 SER A 28 13.199 -17.513 -16.376 1.00 62.43 H new ATOM 0 HB3 SER A 28 12.401 -17.781 -14.839 1.00 62.43 H new ATOM 0 HG SER A 28 11.539 -16.244 -16.767 1.00 63.44 H new ATOM 404 N PHE A 29 14.245 -17.303 -12.561 1.00 25.43 N ATOM 405 CA PHE A 29 14.068 -17.404 -11.117 1.00 4.23 C ATOM 406 C PHE A 29 15.183 -16.668 -10.380 1.00 4.24 C ATOM 407 O PHE A 29 15.016 -16.252 -9.233 1.00 12.11 O ATOM 408 CB PHE A 29 14.039 -18.872 -10.686 1.00 3.30 C ATOM 409 CG PHE A 29 13.487 -19.080 -9.305 1.00 22.32 C ATOM 410 CD1 PHE A 29 14.268 -18.834 -8.187 1.00 44.35 C ATOM 411 CD2 PHE A 29 12.187 -19.524 -9.124 1.00 11.41 C ATOM 412 CE1 PHE A 29 13.763 -19.024 -6.915 1.00 63.30 C ATOM 413 CE2 PHE A 29 11.676 -19.715 -7.854 1.00 62.51 C ATOM 414 CZ PHE A 29 12.466 -19.467 -6.748 1.00 53.23 C ATOM 0 H PHE A 29 14.794 -18.058 -12.972 1.00 25.43 H new ATOM 0 HA PHE A 29 13.117 -16.938 -10.860 1.00 4.23 H new ATOM 0 HB2 PHE A 29 13.439 -19.440 -11.398 1.00 3.30 H new ATOM 0 HB3 PHE A 29 15.051 -19.275 -10.729 1.00 3.30 H new ATOM 0 HD1 PHE A 29 15.284 -18.490 -8.311 1.00 44.35 H new ATOM 0 HD2 PHE A 29 11.566 -19.723 -9.985 1.00 11.41 H new ATOM 0 HE1 PHE A 29 14.382 -18.826 -6.052 1.00 63.30 H new ATOM 0 HE2 PHE A 29 10.660 -20.058 -7.726 1.00 62.51 H new ATOM 0 HZ PHE A 29 12.070 -19.619 -5.755 1.00 53.23 H new ATOM 424 N PHE A 30 16.322 -16.511 -11.046 1.00 63.13 N ATOM 425 CA PHE A 30 17.466 -15.827 -10.455 1.00 64.01 C ATOM 426 C PHE A 30 17.246 -14.317 -10.434 1.00 32.33 C ATOM 427 O PHE A 30 17.806 -13.609 -9.597 1.00 60.02 O ATOM 428 CB PHE A 30 18.742 -16.156 -11.233 1.00 22.42 C ATOM 429 CG PHE A 30 19.442 -17.391 -10.741 1.00 73.54 C ATOM 430 CD1 PHE A 30 19.629 -17.604 -9.385 1.00 73.51 C ATOM 431 CD2 PHE A 30 19.912 -18.340 -11.636 1.00 12.43 C ATOM 432 CE1 PHE A 30 20.273 -18.740 -8.931 1.00 12.34 C ATOM 433 CE2 PHE A 30 20.556 -19.477 -11.187 1.00 23.10 C ATOM 434 CZ PHE A 30 20.736 -19.678 -9.832 1.00 50.34 C ATOM 0 H PHE A 30 16.477 -16.848 -11.996 1.00 63.13 H new ATOM 0 HA PHE A 30 17.574 -16.175 -9.428 1.00 64.01 H new ATOM 0 HB2 PHE A 30 18.493 -16.284 -12.286 1.00 22.42 H new ATOM 0 HB3 PHE A 30 19.426 -15.310 -11.168 1.00 22.42 H new ATOM 0 HD1 PHE A 30 19.268 -16.875 -8.675 1.00 73.51 H new ATOM 0 HD2 PHE A 30 19.773 -18.189 -12.696 1.00 12.43 H new ATOM 0 HE1 PHE A 30 20.414 -18.894 -7.871 1.00 12.34 H new ATOM 0 HE2 PHE A 30 20.918 -20.208 -11.895 1.00 23.10 H new ATOM 0 HZ PHE A 30 21.238 -20.567 -9.479 1.00 50.34 H new ATOM 444 N SER A 31 16.426 -13.832 -11.361 1.00 10.15 N ATOM 445 CA SER A 31 16.134 -12.406 -11.452 1.00 21.11 C ATOM 446 C SER A 31 14.629 -12.161 -11.494 1.00 73.42 C ATOM 447 O SER A 31 14.160 -11.204 -12.111 1.00 32.02 O ATOM 448 CB SER A 31 16.795 -11.807 -12.695 1.00 73.31 C ATOM 449 OG SER A 31 16.762 -10.391 -12.658 1.00 72.11 O ATOM 0 H SER A 31 15.952 -14.405 -12.059 1.00 10.15 H new ATOM 0 HA SER A 31 16.539 -11.920 -10.564 1.00 21.11 H new ATOM 0 HB2 SER A 31 17.828 -12.148 -12.761 1.00 73.31 H new ATOM 0 HB3 SER A 31 16.284 -12.163 -13.590 1.00 73.31 H new ATOM 0 HG SER A 31 15.843 -10.089 -12.503 1.00 72.11 H new ATOM 455 N THR A 32 13.875 -13.035 -10.834 1.00 13.33 N ATOM 456 CA THR A 32 12.423 -12.916 -10.796 1.00 14.11 C ATOM 457 C THR A 32 11.995 -11.589 -10.179 1.00 24.25 C ATOM 458 O THR A 32 12.822 -10.707 -9.945 1.00 54.12 O ATOM 459 CB THR A 32 11.785 -14.069 -9.998 1.00 62.22 C ATOM 460 OG1 THR A 32 12.782 -15.039 -9.658 1.00 21.12 O ATOM 461 CG2 THR A 32 10.677 -14.734 -10.800 1.00 55.11 C ATOM 0 H THR A 32 14.246 -13.833 -10.319 1.00 13.33 H new ATOM 0 HA THR A 32 12.076 -12.962 -11.828 1.00 14.11 H new ATOM 0 HB THR A 32 11.354 -13.656 -9.086 1.00 62.22 H new ATOM 0 HG1 THR A 32 12.369 -15.768 -9.150 1.00 21.12 H new ATOM 0 HG21 THR A 32 10.242 -15.545 -10.216 1.00 55.11 H new ATOM 0 HG22 THR A 32 9.906 -14.000 -11.033 1.00 55.11 H new ATOM 0 HG23 THR A 32 11.089 -15.134 -11.726 1.00 55.11 H new ATOM 469 N VAL A 33 10.699 -11.454 -9.915 1.00 65.31 N ATOM 470 CA VAL A 33 10.163 -10.235 -9.323 1.00 34.13 C ATOM 471 C VAL A 33 10.997 -9.792 -8.126 1.00 44.45 C ATOM 472 O VAL A 33 11.144 -8.598 -7.867 1.00 33.15 O ATOM 473 CB VAL A 33 8.702 -10.426 -8.873 1.00 51.40 C ATOM 474 CG1 VAL A 33 8.580 -11.625 -7.946 1.00 65.51 C ATOM 475 CG2 VAL A 33 8.184 -9.165 -8.197 1.00 41.13 C ATOM 0 H VAL A 33 10.001 -12.174 -10.102 1.00 65.31 H new ATOM 0 HA VAL A 33 10.202 -9.465 -10.094 1.00 34.13 H new ATOM 0 HB VAL A 33 8.091 -10.616 -9.755 1.00 51.40 H new ATOM 0 HG11 VAL A 33 7.541 -11.743 -7.639 1.00 65.51 H new ATOM 0 HG12 VAL A 33 8.909 -12.524 -8.468 1.00 65.51 H new ATOM 0 HG13 VAL A 33 9.203 -11.469 -7.065 1.00 65.51 H new ATOM 0 HG21 VAL A 33 7.151 -9.317 -7.885 1.00 41.13 H new ATOM 0 HG22 VAL A 33 8.797 -8.942 -7.324 1.00 41.13 H new ATOM 0 HG23 VAL A 33 8.233 -8.331 -8.897 1.00 41.13 H new ATOM 485 N GLY A 34 11.544 -10.762 -7.401 1.00 21.34 N ATOM 486 CA GLY A 34 12.358 -10.452 -6.240 1.00 63.11 C ATOM 487 C GLY A 34 11.801 -11.051 -4.964 1.00 61.20 C ATOM 488 O GLY A 34 12.553 -11.393 -4.050 1.00 73.30 O ATOM 0 H GLY A 34 11.438 -11.757 -7.597 1.00 21.34 H new ATOM 0 HA2 GLY A 34 13.370 -10.823 -6.400 1.00 63.11 H new ATOM 0 HA3 GLY A 34 12.429 -9.370 -6.129 1.00 63.11 H new ATOM 492 N LEU A 35 10.480 -11.177 -4.899 1.00 63.43 N ATOM 493 CA LEU A 35 9.822 -11.738 -3.724 1.00 60.03 C ATOM 494 C LEU A 35 10.423 -13.091 -3.357 1.00 72.12 C ATOM 495 O LEU A 35 10.795 -13.325 -2.207 1.00 74.13 O ATOM 496 CB LEU A 35 8.321 -11.886 -3.978 1.00 52.33 C ATOM 497 CG LEU A 35 7.398 -11.321 -2.898 1.00 4.45 C ATOM 498 CD1 LEU A 35 5.969 -11.793 -3.115 1.00 24.32 C ATOM 499 CD2 LEU A 35 7.890 -11.721 -1.514 1.00 40.11 C ATOM 0 H LEU A 35 9.844 -10.898 -5.646 1.00 63.43 H new ATOM 0 HA LEU A 35 9.978 -11.054 -2.890 1.00 60.03 H new ATOM 0 HB2 LEU A 35 8.083 -11.398 -4.923 1.00 52.33 H new ATOM 0 HB3 LEU A 35 8.097 -12.945 -4.101 1.00 52.33 H new ATOM 0 HG LEU A 35 7.413 -10.233 -2.967 1.00 4.45 H new ATOM 0 HD11 LEU A 35 5.327 -11.380 -2.336 1.00 24.32 H new ATOM 0 HD12 LEU A 35 5.619 -11.456 -4.090 1.00 24.32 H new ATOM 0 HD13 LEU A 35 5.935 -12.882 -3.074 1.00 24.32 H new ATOM 0 HD21 LEU A 35 7.221 -11.310 -0.757 1.00 40.11 H new ATOM 0 HD22 LEU A 35 7.905 -12.808 -1.433 1.00 40.11 H new ATOM 0 HD23 LEU A 35 8.896 -11.331 -1.359 1.00 40.11 H new ATOM 511 N SER A 36 10.517 -13.978 -4.343 1.00 35.23 N ATOM 512 CA SER A 36 11.071 -15.309 -4.123 1.00 50.12 C ATOM 513 C SER A 36 12.521 -15.223 -3.656 1.00 71.02 C ATOM 514 O SER A 36 13.063 -16.178 -3.101 1.00 64.52 O ATOM 515 CB SER A 36 10.985 -16.138 -5.406 1.00 33.42 C ATOM 516 OG SER A 36 10.159 -15.505 -6.368 1.00 32.52 O ATOM 0 H SER A 36 10.217 -13.799 -5.301 1.00 35.23 H new ATOM 0 HA SER A 36 10.485 -15.796 -3.344 1.00 50.12 H new ATOM 0 HB2 SER A 36 11.984 -16.281 -5.818 1.00 33.42 H new ATOM 0 HB3 SER A 36 10.590 -17.128 -5.177 1.00 33.42 H new ATOM 0 HG SER A 36 10.122 -16.054 -7.179 1.00 32.52 H new ATOM 522 N SER A 37 13.143 -14.071 -3.885 1.00 54.25 N ATOM 523 CA SER A 37 14.531 -13.860 -3.492 1.00 51.23 C ATOM 524 C SER A 37 14.650 -12.681 -2.532 1.00 2.35 C ATOM 525 O SER A 37 15.668 -11.989 -2.502 1.00 2.02 O ATOM 526 CB SER A 37 15.401 -13.617 -4.727 1.00 3.53 C ATOM 527 OG SER A 37 16.689 -14.186 -4.563 1.00 54.22 O ATOM 0 H SER A 37 12.707 -13.269 -4.341 1.00 54.25 H new ATOM 0 HA SER A 37 14.879 -14.758 -2.982 1.00 51.23 H new ATOM 0 HB2 SER A 37 14.919 -14.047 -5.605 1.00 3.53 H new ATOM 0 HB3 SER A 37 15.493 -12.546 -4.906 1.00 3.53 H new ATOM 0 HG SER A 37 17.225 -14.019 -5.366 1.00 54.22 H new ATOM 533 N LYS A 38 13.602 -12.457 -1.746 1.00 71.23 N ATOM 534 CA LYS A 38 13.587 -11.363 -0.782 1.00 72.43 C ATOM 535 C LYS A 38 14.035 -11.845 0.594 1.00 52.10 C ATOM 536 O LYS A 38 14.302 -13.031 0.792 1.00 15.34 O ATOM 537 CB LYS A 38 12.185 -10.756 -0.691 1.00 31.44 C ATOM 538 CG LYS A 38 12.010 -9.500 -1.526 1.00 61.35 C ATOM 539 CD LYS A 38 12.773 -8.327 -0.936 1.00 4.32 C ATOM 540 CE LYS A 38 12.879 -7.176 -1.925 1.00 15.24 C ATOM 541 NZ LYS A 38 14.066 -6.319 -1.654 1.00 12.41 N ATOM 0 H LYS A 38 12.751 -13.019 -1.758 1.00 71.23 H new ATOM 0 HA LYS A 38 14.285 -10.599 -1.125 1.00 72.43 H new ATOM 0 HB2 LYS A 38 11.455 -11.499 -1.011 1.00 31.44 H new ATOM 0 HB3 LYS A 38 11.966 -10.523 0.351 1.00 31.44 H new ATOM 0 HG2 LYS A 38 12.357 -9.687 -2.542 1.00 61.35 H new ATOM 0 HG3 LYS A 38 10.951 -9.250 -1.592 1.00 61.35 H new ATOM 0 HD2 LYS A 38 12.272 -7.985 -0.030 1.00 4.32 H new ATOM 0 HD3 LYS A 38 13.772 -8.651 -0.645 1.00 4.32 H new ATOM 0 HE2 LYS A 38 12.941 -7.573 -2.938 1.00 15.24 H new ATOM 0 HE3 LYS A 38 11.974 -6.570 -1.875 1.00 15.24 H new ATOM 0 HZ1 LYS A 38 14.102 -5.546 -2.349 1.00 12.41 H new ATOM 0 HZ2 LYS A 38 13.995 -5.920 -0.696 1.00 12.41 H new ATOM 0 HZ3 LYS A 38 14.931 -6.891 -1.727 1.00 12.41 H new ATOM 555 N THR A 39 14.114 -10.918 1.544 1.00 43.35 N ATOM 556 CA THR A 39 14.529 -11.248 2.901 1.00 4.40 C ATOM 557 C THR A 39 13.340 -11.685 3.748 1.00 24.55 C ATOM 558 O THR A 39 12.193 -11.326 3.484 1.00 71.20 O ATOM 559 CB THR A 39 15.219 -10.052 3.584 1.00 42.51 C ATOM 560 OG1 THR A 39 16.518 -10.435 4.049 1.00 61.12 O ATOM 561 CG2 THR A 39 14.388 -9.541 4.751 1.00 74.30 C ATOM 0 H THR A 39 13.896 -9.932 1.398 1.00 43.35 H new ATOM 0 HA THR A 39 15.239 -12.072 2.823 1.00 4.40 H new ATOM 0 HB THR A 39 15.317 -9.252 2.851 1.00 42.51 H new ATOM 0 HG1 THR A 39 16.950 -9.668 4.480 1.00 61.12 H new ATOM 0 HG21 THR A 39 14.896 -8.697 5.217 1.00 74.30 H new ATOM 0 HG22 THR A 39 13.410 -9.222 4.389 1.00 74.30 H new ATOM 0 HG23 THR A 39 14.261 -10.338 5.484 1.00 74.30 H new ATOM 569 N PRO A 40 13.618 -12.480 4.793 1.00 52.10 N ATOM 570 CA PRO A 40 12.583 -12.983 5.702 1.00 42.04 C ATOM 571 C PRO A 40 11.990 -11.880 6.572 1.00 24.43 C ATOM 572 O PRO A 40 12.269 -11.804 7.769 1.00 31.31 O ATOM 573 CB PRO A 40 13.333 -14.001 6.565 1.00 44.44 C ATOM 574 CG PRO A 40 14.754 -13.554 6.528 1.00 62.21 C ATOM 575 CD PRO A 40 14.963 -12.948 5.168 1.00 52.23 C ATOM 0 HA PRO A 40 11.735 -13.405 5.162 1.00 42.04 H new ATOM 0 HB2 PRO A 40 12.949 -14.015 7.585 1.00 44.44 H new ATOM 0 HB3 PRO A 40 13.225 -15.011 6.170 1.00 44.44 H new ATOM 0 HG2 PRO A 40 14.955 -12.826 7.314 1.00 62.21 H new ATOM 0 HG3 PRO A 40 15.431 -14.393 6.690 1.00 62.21 H new ATOM 0 HD2 PRO A 40 15.680 -12.127 5.200 1.00 52.23 H new ATOM 0 HD3 PRO A 40 15.347 -13.679 4.457 1.00 52.23 H new ATOM 583 N ASP A 41 11.172 -11.029 5.964 1.00 1.34 N ATOM 584 CA ASP A 41 10.538 -9.931 6.685 1.00 4.31 C ATOM 585 C ASP A 41 9.682 -9.087 5.746 1.00 33.11 C ATOM 586 O ASP A 41 8.669 -8.520 6.156 1.00 23.43 O ATOM 587 CB ASP A 41 11.597 -9.054 7.355 1.00 3.14 C ATOM 588 CG ASP A 41 11.299 -8.804 8.821 1.00 62.23 C ATOM 589 OD1 ASP A 41 11.315 -9.777 9.603 1.00 34.10 O ATOM 590 OD2 ASP A 41 11.050 -7.636 9.185 1.00 14.20 O ATOM 0 H ASP A 41 10.932 -11.078 4.974 1.00 1.34 H new ATOM 0 HA ASP A 41 9.892 -10.358 7.452 1.00 4.31 H new ATOM 0 HB2 ASP A 41 12.572 -9.532 7.262 1.00 3.14 H new ATOM 0 HB3 ASP A 41 11.658 -8.100 6.832 1.00 3.14 H new ATOM 595 N GLN A 42 10.096 -9.008 4.486 1.00 61.23 N ATOM 596 CA GLN A 42 9.367 -8.232 3.490 1.00 61.14 C ATOM 597 C GLN A 42 8.312 -9.089 2.798 1.00 54.51 C ATOM 598 O GLN A 42 7.372 -8.567 2.197 1.00 61.04 O ATOM 599 CB GLN A 42 10.334 -7.657 2.453 1.00 72.01 C ATOM 600 CG GLN A 42 11.454 -6.828 3.060 1.00 42.01 C ATOM 601 CD GLN A 42 12.407 -6.281 2.015 1.00 11.44 C ATOM 602 OE1 GLN A 42 12.096 -5.312 1.322 1.00 51.21 O ATOM 603 NE2 GLN A 42 13.576 -6.899 1.898 1.00 72.55 N ATOM 0 H GLN A 42 10.932 -9.472 4.131 1.00 61.23 H new ATOM 0 HA GLN A 42 8.864 -7.412 4.002 1.00 61.14 H new ATOM 0 HB2 GLN A 42 10.769 -8.476 1.880 1.00 72.01 H new ATOM 0 HB3 GLN A 42 9.775 -7.039 1.751 1.00 72.01 H new ATOM 0 HG2 GLN A 42 11.024 -6.000 3.623 1.00 42.01 H new ATOM 0 HG3 GLN A 42 12.011 -7.440 3.769 1.00 42.01 H new ATOM 0 HE21 GLN A 42 13.792 -7.699 2.493 1.00 72.55 H new ATOM 0 HE22 GLN A 42 14.258 -6.574 1.213 1.00 72.55 H new ATOM 612 N ILE A 43 8.473 -10.404 2.887 1.00 62.30 N ATOM 613 CA ILE A 43 7.534 -11.332 2.270 1.00 34.42 C ATOM 614 C ILE A 43 6.180 -11.291 2.971 1.00 31.11 C ATOM 615 O ILE A 43 5.135 -11.449 2.339 1.00 44.34 O ATOM 616 CB ILE A 43 8.069 -12.776 2.297 1.00 71.24 C ATOM 617 CG1 ILE A 43 9.393 -12.866 1.535 1.00 20.33 C ATOM 618 CG2 ILE A 43 7.044 -13.732 1.703 1.00 5.24 C ATOM 619 CD1 ILE A 43 10.045 -14.229 1.617 1.00 43.33 C ATOM 0 H ILE A 43 9.245 -10.851 3.381 1.00 62.30 H new ATOM 0 HA ILE A 43 7.414 -11.017 1.233 1.00 34.42 H new ATOM 0 HB ILE A 43 8.247 -13.063 3.333 1.00 71.24 H new ATOM 0 HG12 ILE A 43 9.218 -12.618 0.488 1.00 20.33 H new ATOM 0 HG13 ILE A 43 10.081 -12.118 1.929 1.00 20.33 H new ATOM 0 HG21 ILE A 43 7.437 -14.749 1.729 1.00 5.24 H new ATOM 0 HG22 ILE A 43 6.123 -13.684 2.283 1.00 5.24 H new ATOM 0 HG23 ILE A 43 6.838 -13.449 0.671 1.00 5.24 H new ATOM 0 HD11 ILE A 43 10.979 -14.220 1.055 1.00 43.33 H new ATOM 0 HD12 ILE A 43 10.252 -14.471 2.659 1.00 43.33 H new ATOM 0 HD13 ILE A 43 9.375 -14.979 1.196 1.00 43.33 H new ATOM 631 N LYS A 44 6.205 -11.076 4.282 1.00 21.31 N ATOM 632 CA LYS A 44 4.980 -11.011 5.071 1.00 44.43 C ATOM 633 C LYS A 44 4.184 -9.754 4.735 1.00 1.43 C ATOM 634 O LYS A 44 2.953 -9.765 4.743 1.00 30.33 O ATOM 635 CB LYS A 44 5.310 -11.035 6.565 1.00 12.20 C ATOM 636 CG LYS A 44 6.379 -10.034 6.969 1.00 55.14 C ATOM 637 CD LYS A 44 6.339 -9.747 8.460 1.00 23.33 C ATOM 638 CE LYS A 44 6.765 -10.961 9.272 1.00 13.04 C ATOM 639 NZ LYS A 44 7.243 -10.580 10.630 1.00 2.11 N ATOM 0 H LYS A 44 7.061 -10.944 4.821 1.00 21.31 H new ATOM 0 HA LYS A 44 4.372 -11.882 4.826 1.00 44.43 H new ATOM 0 HB2 LYS A 44 4.402 -10.832 7.132 1.00 12.20 H new ATOM 0 HB3 LYS A 44 5.640 -12.037 6.839 1.00 12.20 H new ATOM 0 HG2 LYS A 44 7.362 -10.420 6.698 1.00 55.14 H new ATOM 0 HG3 LYS A 44 6.238 -9.106 6.415 1.00 55.14 H new ATOM 0 HD2 LYS A 44 6.995 -8.907 8.688 1.00 23.33 H new ATOM 0 HD3 LYS A 44 5.330 -9.451 8.748 1.00 23.33 H new ATOM 0 HE2 LYS A 44 5.925 -11.650 9.363 1.00 13.04 H new ATOM 0 HE3 LYS A 44 7.557 -11.492 8.744 1.00 13.04 H new ATOM 0 HZ1 LYS A 44 7.524 -11.435 11.152 1.00 2.11 H new ATOM 0 HZ2 LYS A 44 8.060 -9.942 10.544 1.00 2.11 H new ATOM 0 HZ3 LYS A 44 6.479 -10.096 11.144 1.00 2.11 H new ATOM 653 N LYS A 45 4.894 -8.670 4.439 1.00 22.33 N ATOM 654 CA LYS A 45 4.255 -7.405 4.098 1.00 74.31 C ATOM 655 C LYS A 45 3.584 -7.486 2.730 1.00 20.32 C ATOM 656 O LYS A 45 2.715 -6.677 2.405 1.00 33.50 O ATOM 657 CB LYS A 45 5.282 -6.272 4.107 1.00 4.54 C ATOM 658 CG LYS A 45 5.428 -5.594 5.459 1.00 25.21 C ATOM 659 CD LYS A 45 4.511 -4.389 5.581 1.00 60.10 C ATOM 660 CE LYS A 45 3.147 -4.780 6.128 1.00 32.31 C ATOM 661 NZ LYS A 45 2.393 -3.600 6.635 1.00 63.10 N ATOM 0 H LYS A 45 5.914 -8.643 4.429 1.00 22.33 H new ATOM 0 HA LYS A 45 3.490 -7.200 4.847 1.00 74.31 H new ATOM 0 HB2 LYS A 45 6.251 -6.668 3.802 1.00 4.54 H new ATOM 0 HB3 LYS A 45 4.995 -5.527 3.365 1.00 4.54 H new ATOM 0 HG2 LYS A 45 5.200 -6.307 6.251 1.00 25.21 H new ATOM 0 HG3 LYS A 45 6.462 -5.281 5.600 1.00 25.21 H new ATOM 0 HD2 LYS A 45 4.968 -3.647 6.236 1.00 60.10 H new ATOM 0 HD3 LYS A 45 4.392 -3.921 4.604 1.00 60.10 H new ATOM 0 HE2 LYS A 45 2.569 -5.271 5.345 1.00 32.31 H new ATOM 0 HE3 LYS A 45 3.273 -5.504 6.933 1.00 32.31 H new ATOM 0 HZ1 LYS A 45 1.469 -3.909 6.999 1.00 63.10 H new ATOM 0 HZ2 LYS A 45 2.932 -3.146 7.400 1.00 63.10 H new ATOM 0 HZ3 LYS A 45 2.250 -2.920 5.861 1.00 63.10 H new ATOM 675 N VAL A 46 3.993 -8.468 1.933 1.00 34.40 N ATOM 676 CA VAL A 46 3.429 -8.656 0.601 1.00 24.54 C ATOM 677 C VAL A 46 2.230 -9.596 0.640 1.00 75.21 C ATOM 678 O VAL A 46 1.396 -9.593 -0.266 1.00 72.40 O ATOM 679 CB VAL A 46 4.477 -9.220 -0.377 1.00 4.32 C ATOM 680 CG1 VAL A 46 3.863 -9.437 -1.751 1.00 51.32 C ATOM 681 CG2 VAL A 46 5.679 -8.291 -0.462 1.00 25.22 C ATOM 0 H VAL A 46 4.712 -9.145 2.186 1.00 34.40 H new ATOM 0 HA VAL A 46 3.107 -7.675 0.252 1.00 24.54 H new ATOM 0 HB VAL A 46 4.817 -10.185 -0.001 1.00 4.32 H new ATOM 0 HG11 VAL A 46 4.618 -9.836 -2.428 1.00 51.32 H new ATOM 0 HG12 VAL A 46 3.037 -10.143 -1.673 1.00 51.32 H new ATOM 0 HG13 VAL A 46 3.493 -8.488 -2.138 1.00 51.32 H new ATOM 0 HG21 VAL A 46 6.410 -8.704 -1.157 1.00 25.22 H new ATOM 0 HG22 VAL A 46 5.357 -7.311 -0.814 1.00 25.22 H new ATOM 0 HG23 VAL A 46 6.132 -8.191 0.524 1.00 25.22 H new ATOM 691 N PHE A 47 2.148 -10.400 1.695 1.00 12.43 N ATOM 692 CA PHE A 47 1.050 -11.346 1.853 1.00 54.15 C ATOM 693 C PHE A 47 -0.177 -10.662 2.450 1.00 43.34 C ATOM 694 O PHE A 47 -1.309 -11.092 2.233 1.00 24.40 O ATOM 695 CB PHE A 47 1.479 -12.515 2.742 1.00 52.23 C ATOM 696 CG PHE A 47 0.384 -13.021 3.637 1.00 52.05 C ATOM 697 CD1 PHE A 47 -0.636 -13.808 3.128 1.00 74.44 C ATOM 698 CD2 PHE A 47 0.375 -12.710 4.987 1.00 51.24 C ATOM 699 CE1 PHE A 47 -1.646 -14.275 3.949 1.00 45.32 C ATOM 700 CE2 PHE A 47 -0.631 -13.174 5.813 1.00 54.41 C ATOM 701 CZ PHE A 47 -1.642 -13.958 5.293 1.00 14.02 C ATOM 0 H PHE A 47 2.830 -10.415 2.454 1.00 12.43 H new ATOM 0 HA PHE A 47 0.788 -11.726 0.866 1.00 54.15 H new ATOM 0 HB2 PHE A 47 1.828 -13.332 2.111 1.00 52.23 H new ATOM 0 HB3 PHE A 47 2.324 -12.203 3.356 1.00 52.23 H new ATOM 0 HD1 PHE A 47 -0.643 -14.060 2.078 1.00 74.44 H new ATOM 0 HD2 PHE A 47 1.164 -12.098 5.399 1.00 51.24 H new ATOM 0 HE1 PHE A 47 -2.437 -14.887 3.540 1.00 45.32 H new ATOM 0 HE2 PHE A 47 -0.627 -12.924 6.864 1.00 54.41 H new ATOM 0 HZ PHE A 47 -2.429 -14.323 5.937 1.00 14.02 H new ATOM 711 N GLY A 48 0.058 -9.592 3.204 1.00 41.03 N ATOM 712 CA GLY A 48 -1.036 -8.865 3.821 1.00 23.34 C ATOM 713 C GLY A 48 -1.886 -8.126 2.808 1.00 51.23 C ATOM 714 O GLY A 48 -2.948 -7.600 3.144 1.00 62.42 O ATOM 0 H GLY A 48 0.986 -9.216 3.398 1.00 41.03 H new ATOM 0 HA2 GLY A 48 -1.663 -9.562 4.377 1.00 23.34 H new ATOM 0 HA3 GLY A 48 -0.634 -8.153 4.542 1.00 23.34 H new ATOM 718 N ILE A 49 -1.419 -8.083 1.565 1.00 61.25 N ATOM 719 CA ILE A 49 -2.144 -7.402 0.499 1.00 11.14 C ATOM 720 C ILE A 49 -3.071 -8.363 -0.237 1.00 20.32 C ATOM 721 O ILE A 49 -4.144 -7.976 -0.700 1.00 54.33 O ATOM 722 CB ILE A 49 -1.181 -6.758 -0.515 1.00 3.42 C ATOM 723 CG1 ILE A 49 -0.037 -6.049 0.214 1.00 20.31 C ATOM 724 CG2 ILE A 49 -1.929 -5.782 -1.411 1.00 35.32 C ATOM 725 CD1 ILE A 49 0.949 -5.379 -0.716 1.00 43.25 C ATOM 0 H ILE A 49 -0.541 -8.512 1.271 1.00 61.25 H new ATOM 0 HA ILE A 49 -2.737 -6.619 0.972 1.00 11.14 H new ATOM 0 HB ILE A 49 -0.758 -7.544 -1.140 1.00 3.42 H new ATOM 0 HG12 ILE A 49 -0.455 -5.301 0.888 1.00 20.31 H new ATOM 0 HG13 ILE A 49 0.493 -6.773 0.832 1.00 20.31 H new ATOM 0 HG21 ILE A 49 -1.234 -5.335 -2.122 1.00 35.32 H new ATOM 0 HG22 ILE A 49 -2.712 -6.312 -1.953 1.00 35.32 H new ATOM 0 HG23 ILE A 49 -2.377 -4.998 -0.801 1.00 35.32 H new ATOM 0 HD11 ILE A 49 1.732 -4.897 -0.130 1.00 43.25 H new ATOM 0 HD12 ILE A 49 1.395 -6.126 -1.373 1.00 43.25 H new ATOM 0 HD13 ILE A 49 0.432 -4.630 -1.316 1.00 43.25 H new ATOM 737 N LEU A 50 -2.651 -9.619 -0.339 1.00 63.25 N ATOM 738 CA LEU A 50 -3.444 -10.638 -1.018 1.00 21.41 C ATOM 739 C LEU A 50 -4.827 -10.762 -0.386 1.00 42.02 C ATOM 740 O LEU A 50 -5.845 -10.646 -1.069 1.00 63.30 O ATOM 741 CB LEU A 50 -2.726 -11.988 -0.969 1.00 22.23 C ATOM 742 CG LEU A 50 -1.198 -11.938 -1.014 1.00 53.25 C ATOM 743 CD1 LEU A 50 -0.620 -13.343 -1.081 1.00 44.44 C ATOM 744 CD2 LEU A 50 -0.727 -11.108 -2.200 1.00 13.01 C ATOM 0 H LEU A 50 -1.766 -9.956 0.040 1.00 63.25 H new ATOM 0 HA LEU A 50 -3.565 -10.335 -2.058 1.00 21.41 H new ATOM 0 HB2 LEU A 50 -3.026 -12.503 -0.057 1.00 22.23 H new ATOM 0 HB3 LEU A 50 -3.075 -12.593 -1.806 1.00 22.23 H new ATOM 0 HG LEU A 50 -0.841 -11.464 -0.100 1.00 53.25 H new ATOM 0 HD11 LEU A 50 0.468 -13.288 -1.112 1.00 44.44 H new ATOM 0 HD12 LEU A 50 -0.929 -13.906 -0.201 1.00 44.44 H new ATOM 0 HD13 LEU A 50 -0.984 -13.844 -1.978 1.00 44.44 H new ATOM 0 HD21 LEU A 50 0.363 -11.083 -2.217 1.00 13.01 H new ATOM 0 HD22 LEU A 50 -1.094 -11.554 -3.125 1.00 13.01 H new ATOM 0 HD23 LEU A 50 -1.112 -10.092 -2.109 1.00 13.01 H new ATOM 756 N ASP A 51 -4.855 -10.995 0.921 1.00 35.42 N ATOM 757 CA ASP A 51 -6.113 -11.131 1.646 1.00 35.22 C ATOM 758 C ASP A 51 -7.070 -9.998 1.291 1.00 15.50 C ATOM 759 O ASP A 51 -6.666 -8.991 0.710 1.00 60.13 O ATOM 760 CB ASP A 51 -5.859 -11.146 3.154 1.00 24.43 C ATOM 761 CG ASP A 51 -6.792 -12.088 3.890 1.00 50.23 C ATOM 762 OD1 ASP A 51 -7.878 -12.386 3.351 1.00 31.41 O ATOM 763 OD2 ASP A 51 -6.437 -12.525 5.004 1.00 22.25 O ATOM 0 H ASP A 51 -4.021 -11.094 1.500 1.00 35.42 H new ATOM 0 HA ASP A 51 -6.572 -12.076 1.353 1.00 35.22 H new ATOM 0 HB2 ASP A 51 -4.827 -11.441 3.343 1.00 24.43 H new ATOM 0 HB3 ASP A 51 -5.980 -10.138 3.550 1.00 24.43 H new ATOM 768 N GLN A 52 -8.340 -10.169 1.644 1.00 73.52 N ATOM 769 CA GLN A 52 -9.355 -9.161 1.360 1.00 23.22 C ATOM 770 C GLN A 52 -9.582 -8.262 2.571 1.00 42.11 C ATOM 771 O GLN A 52 -9.636 -7.038 2.446 1.00 24.32 O ATOM 772 CB GLN A 52 -10.669 -9.830 0.953 1.00 42.20 C ATOM 773 CG GLN A 52 -11.115 -10.926 1.907 1.00 62.10 C ATOM 774 CD GLN A 52 -12.425 -11.564 1.491 1.00 74.32 C ATOM 775 OE1 GLN A 52 -13.321 -11.762 2.312 1.00 14.10 O ATOM 776 NE2 GLN A 52 -12.545 -11.891 0.209 1.00 4.41 N ATOM 0 H GLN A 52 -8.691 -10.996 2.127 1.00 73.52 H new ATOM 0 HA GLN A 52 -8.999 -8.545 0.534 1.00 23.22 H new ATOM 0 HB2 GLN A 52 -11.450 -9.072 0.893 1.00 42.20 H new ATOM 0 HB3 GLN A 52 -10.558 -10.252 -0.046 1.00 42.20 H new ATOM 0 HG2 GLN A 52 -10.342 -11.693 1.960 1.00 62.10 H new ATOM 0 HG3 GLN A 52 -11.220 -10.510 2.909 1.00 62.10 H new ATOM 0 HE21 GLN A 52 -11.777 -11.709 -0.438 1.00 4.41 H new ATOM 0 HE22 GLN A 52 -13.405 -12.324 -0.129 1.00 4.41 H new ATOM 785 N ASP A 53 -9.715 -8.876 3.741 1.00 22.32 N ATOM 786 CA ASP A 53 -9.936 -8.131 4.975 1.00 24.32 C ATOM 787 C ASP A 53 -8.813 -8.391 5.975 1.00 34.52 C ATOM 788 O ASP A 53 -8.957 -8.126 7.169 1.00 45.41 O ATOM 789 CB ASP A 53 -11.283 -8.511 5.591 1.00 21.23 C ATOM 790 CG ASP A 53 -12.423 -8.413 4.597 1.00 63.35 C ATOM 791 OD1 ASP A 53 -12.239 -7.764 3.546 1.00 4.11 O ATOM 792 OD2 ASP A 53 -13.499 -8.986 4.869 1.00 51.53 O ATOM 0 H ASP A 53 -9.674 -9.888 3.861 1.00 22.32 H new ATOM 0 HA ASP A 53 -9.943 -7.068 4.733 1.00 24.32 H new ATOM 0 HB2 ASP A 53 -11.228 -9.529 5.977 1.00 21.23 H new ATOM 0 HB3 ASP A 53 -11.488 -7.859 6.440 1.00 21.23 H new ATOM 797 N LYS A 54 -7.696 -8.914 5.481 1.00 74.14 N ATOM 798 CA LYS A 54 -6.549 -9.211 6.329 1.00 4.14 C ATOM 799 C LYS A 54 -6.996 -9.806 7.661 1.00 62.45 C ATOM 800 O LYS A 54 -6.454 -9.472 8.714 1.00 31.11 O ATOM 801 CB LYS A 54 -5.729 -7.942 6.576 1.00 61.33 C ATOM 802 CG LYS A 54 -5.086 -7.380 5.320 1.00 52.13 C ATOM 803 CD LYS A 54 -6.105 -6.676 4.439 1.00 71.41 C ATOM 804 CE LYS A 54 -5.434 -5.721 3.464 1.00 60.42 C ATOM 805 NZ LYS A 54 -4.645 -4.673 4.168 1.00 25.53 N ATOM 0 H LYS A 54 -7.561 -9.141 4.496 1.00 74.14 H new ATOM 0 HA LYS A 54 -5.928 -9.944 5.813 1.00 4.14 H new ATOM 0 HB2 LYS A 54 -6.375 -7.182 7.015 1.00 61.33 H new ATOM 0 HB3 LYS A 54 -4.950 -8.159 7.307 1.00 61.33 H new ATOM 0 HG2 LYS A 54 -4.297 -6.680 5.596 1.00 52.13 H new ATOM 0 HG3 LYS A 54 -4.615 -8.187 4.759 1.00 52.13 H new ATOM 0 HD2 LYS A 54 -6.682 -7.417 3.885 1.00 71.41 H new ATOM 0 HD3 LYS A 54 -6.809 -6.125 5.063 1.00 71.41 H new ATOM 0 HE2 LYS A 54 -4.779 -6.283 2.798 1.00 60.42 H new ATOM 0 HE3 LYS A 54 -6.192 -5.247 2.840 1.00 60.42 H new ATOM 0 HZ1 LYS A 54 -4.562 -3.834 3.560 1.00 25.53 H new ATOM 0 HZ2 LYS A 54 -5.125 -4.413 5.053 1.00 25.53 H new ATOM 0 HZ3 LYS A 54 -3.696 -5.039 4.384 1.00 25.53 H new ATOM 819 N SER A 55 -7.986 -10.691 7.605 1.00 32.10 N ATOM 820 CA SER A 55 -8.507 -11.331 8.807 1.00 75.51 C ATOM 821 C SER A 55 -7.402 -12.077 9.548 1.00 60.40 C ATOM 822 O SER A 55 -7.508 -12.336 10.746 1.00 24.30 O ATOM 823 CB SER A 55 -9.637 -12.298 8.446 1.00 13.14 C ATOM 824 OG SER A 55 -10.553 -11.699 7.547 1.00 54.45 O ATOM 0 H SER A 55 -8.443 -10.981 6.741 1.00 32.10 H new ATOM 0 HA SER A 55 -8.899 -10.553 9.462 1.00 75.51 H new ATOM 0 HB2 SER A 55 -9.219 -13.199 7.997 1.00 13.14 H new ATOM 0 HB3 SER A 55 -10.160 -12.606 9.352 1.00 13.14 H new ATOM 0 HG SER A 55 -11.264 -12.338 7.331 1.00 54.45 H new ATOM 830 N GLY A 56 -6.340 -12.420 8.825 1.00 73.53 N ATOM 831 CA GLY A 56 -5.230 -13.133 9.429 1.00 70.52 C ATOM 832 C GLY A 56 -4.855 -14.383 8.657 1.00 3.01 C ATOM 833 O GLY A 56 -3.773 -14.939 8.850 1.00 73.11 O ATOM 0 H GLY A 56 -6.229 -12.217 7.832 1.00 73.53 H new ATOM 0 HA2 GLY A 56 -4.365 -12.472 9.486 1.00 70.52 H new ATOM 0 HA3 GLY A 56 -5.491 -13.406 10.452 1.00 70.52 H new ATOM 837 N PHE A 57 -5.750 -14.827 7.782 1.00 73.23 N ATOM 838 CA PHE A 57 -5.509 -16.021 6.980 1.00 62.11 C ATOM 839 C PHE A 57 -6.268 -15.951 5.658 1.00 22.30 C ATOM 840 O PHE A 57 -7.226 -15.190 5.520 1.00 31.40 O ATOM 841 CB PHE A 57 -5.924 -17.274 7.754 1.00 52.20 C ATOM 842 CG PHE A 57 -5.206 -17.435 9.063 1.00 65.51 C ATOM 843 CD1 PHE A 57 -3.998 -18.112 9.127 1.00 71.04 C ATOM 844 CD2 PHE A 57 -5.738 -16.911 10.230 1.00 62.31 C ATOM 845 CE1 PHE A 57 -3.334 -18.262 10.329 1.00 20.35 C ATOM 846 CE2 PHE A 57 -5.078 -17.058 11.435 1.00 11.05 C ATOM 847 CZ PHE A 57 -3.875 -17.735 11.486 1.00 74.34 C ATOM 0 H PHE A 57 -6.650 -14.378 7.610 1.00 73.23 H new ATOM 0 HA PHE A 57 -4.442 -16.073 6.764 1.00 62.11 H new ATOM 0 HB2 PHE A 57 -6.997 -17.238 7.940 1.00 52.20 H new ATOM 0 HB3 PHE A 57 -5.737 -18.152 7.136 1.00 52.20 H new ATOM 0 HD1 PHE A 57 -3.571 -18.527 8.226 1.00 71.04 H new ATOM 0 HD2 PHE A 57 -6.679 -16.382 10.198 1.00 62.31 H new ATOM 0 HE1 PHE A 57 -2.393 -18.791 10.364 1.00 20.35 H new ATOM 0 HE2 PHE A 57 -5.503 -16.643 12.337 1.00 11.05 H new ATOM 0 HZ PHE A 57 -3.359 -17.852 12.427 1.00 74.34 H new ATOM 857 N ILE A 58 -5.832 -16.750 4.690 1.00 41.34 N ATOM 858 CA ILE A 58 -6.470 -16.779 3.379 1.00 21.24 C ATOM 859 C ILE A 58 -6.849 -18.202 2.985 1.00 73.45 C ATOM 860 O ILE A 58 -5.989 -19.009 2.633 1.00 73.11 O ATOM 861 CB ILE A 58 -5.554 -16.184 2.294 1.00 61.24 C ATOM 862 CG1 ILE A 58 -5.492 -14.661 2.427 1.00 63.24 C ATOM 863 CG2 ILE A 58 -6.046 -16.581 0.910 1.00 51.22 C ATOM 864 CD1 ILE A 58 -4.427 -14.022 1.562 1.00 34.23 C ATOM 0 H ILE A 58 -5.040 -17.386 4.788 1.00 41.34 H new ATOM 0 HA ILE A 58 -7.372 -16.172 3.453 1.00 21.24 H new ATOM 0 HB ILE A 58 -4.549 -16.583 2.429 1.00 61.24 H new ATOM 0 HG12 ILE A 58 -6.463 -14.241 2.163 1.00 63.24 H new ATOM 0 HG13 ILE A 58 -5.305 -14.403 3.469 1.00 63.24 H new ATOM 0 HG21 ILE A 58 -5.388 -16.153 0.153 1.00 51.22 H new ATOM 0 HG22 ILE A 58 -6.043 -17.667 0.821 1.00 51.22 H new ATOM 0 HG23 ILE A 58 -7.059 -16.208 0.763 1.00 51.22 H new ATOM 0 HD11 ILE A 58 -4.440 -12.942 1.707 1.00 34.23 H new ATOM 0 HD12 ILE A 58 -3.449 -14.414 1.841 1.00 34.23 H new ATOM 0 HD13 ILE A 58 -4.624 -14.250 0.514 1.00 34.23 H new ATOM 876 N GLU A 59 -8.143 -18.502 3.044 1.00 71.31 N ATOM 877 CA GLU A 59 -8.636 -19.829 2.691 1.00 11.42 C ATOM 878 C GLU A 59 -8.614 -20.033 1.179 1.00 14.31 C ATOM 879 O GLU A 59 -8.212 -19.144 0.429 1.00 62.52 O ATOM 880 CB GLU A 59 -10.057 -20.027 3.223 1.00 21.04 C ATOM 881 CG GLU A 59 -10.236 -19.576 4.663 1.00 12.41 C ATOM 882 CD GLU A 59 -10.977 -18.257 4.773 1.00 20.01 C ATOM 883 OE1 GLU A 59 -11.938 -18.051 4.002 1.00 31.35 O ATOM 884 OE2 GLU A 59 -10.596 -17.431 5.629 1.00 60.33 O ATOM 0 H GLU A 59 -8.868 -17.845 3.332 1.00 71.31 H new ATOM 0 HA GLU A 59 -7.978 -20.567 3.149 1.00 11.42 H new ATOM 0 HB2 GLU A 59 -10.753 -19.477 2.590 1.00 21.04 H new ATOM 0 HB3 GLU A 59 -10.321 -21.082 3.146 1.00 21.04 H new ATOM 0 HG2 GLU A 59 -10.781 -20.342 5.215 1.00 12.41 H new ATOM 0 HG3 GLU A 59 -9.258 -19.479 5.134 1.00 12.41 H new ATOM 891 N GLU A 60 -9.050 -21.210 0.740 1.00 0.34 N ATOM 892 CA GLU A 60 -9.079 -21.531 -0.682 1.00 11.14 C ATOM 893 C GLU A 60 -10.022 -20.595 -1.432 1.00 10.52 C ATOM 894 O GLU A 60 -9.957 -20.482 -2.655 1.00 72.24 O ATOM 895 CB GLU A 60 -9.513 -22.983 -0.890 1.00 64.43 C ATOM 896 CG GLU A 60 -9.340 -23.471 -2.319 1.00 51.10 C ATOM 897 CD GLU A 60 -10.607 -23.330 -3.140 1.00 71.53 C ATOM 898 OE1 GLU A 60 -11.626 -23.952 -2.772 1.00 4.33 O ATOM 899 OE2 GLU A 60 -10.579 -22.599 -4.152 1.00 15.51 O ATOM 0 H GLU A 60 -9.388 -21.956 1.348 1.00 0.34 H new ATOM 0 HA GLU A 60 -8.072 -21.399 -1.079 1.00 11.14 H new ATOM 0 HB2 GLU A 60 -8.937 -23.625 -0.224 1.00 64.43 H new ATOM 0 HB3 GLU A 60 -10.560 -23.085 -0.604 1.00 64.43 H new ATOM 0 HG2 GLU A 60 -8.537 -22.909 -2.796 1.00 51.10 H new ATOM 0 HG3 GLU A 60 -9.033 -24.517 -2.307 1.00 51.10 H new ATOM 906 N GLU A 61 -10.898 -19.925 -0.688 1.00 64.41 N ATOM 907 CA GLU A 61 -11.855 -19.000 -1.283 1.00 63.10 C ATOM 908 C GLU A 61 -11.159 -17.725 -1.752 1.00 35.11 C ATOM 909 O GLU A 61 -11.378 -17.263 -2.871 1.00 53.10 O ATOM 910 CB GLU A 61 -12.955 -18.654 -0.278 1.00 54.11 C ATOM 911 CG GLU A 61 -13.531 -19.865 0.436 1.00 64.41 C ATOM 912 CD GLU A 61 -13.902 -20.983 -0.519 1.00 34.32 C ATOM 913 OE1 GLU A 61 -14.392 -20.680 -1.627 1.00 4.22 O ATOM 914 OE2 GLU A 61 -13.704 -22.162 -0.157 1.00 64.12 O ATOM 0 H GLU A 61 -10.964 -20.006 0.327 1.00 64.41 H new ATOM 0 HA GLU A 61 -12.304 -19.488 -2.148 1.00 63.10 H new ATOM 0 HB2 GLU A 61 -12.554 -17.963 0.463 1.00 54.11 H new ATOM 0 HB3 GLU A 61 -13.759 -18.133 -0.798 1.00 54.11 H new ATOM 0 HG2 GLU A 61 -12.804 -20.236 1.159 1.00 64.41 H new ATOM 0 HG3 GLU A 61 -14.415 -19.564 0.998 1.00 64.41 H new ATOM 921 N GLU A 62 -10.322 -17.162 -0.887 1.00 24.54 N ATOM 922 CA GLU A 62 -9.596 -15.940 -1.212 1.00 24.33 C ATOM 923 C GLU A 62 -8.277 -16.260 -1.909 1.00 64.22 C ATOM 924 O GLU A 62 -7.520 -15.360 -2.274 1.00 42.44 O ATOM 925 CB GLU A 62 -9.330 -15.126 0.056 1.00 14.30 C ATOM 926 CG GLU A 62 -10.336 -14.010 0.284 1.00 12.11 C ATOM 927 CD GLU A 62 -11.446 -14.411 1.236 1.00 55.21 C ATOM 928 OE1 GLU A 62 -12.408 -15.067 0.784 1.00 22.22 O ATOM 929 OE2 GLU A 62 -11.353 -14.068 2.433 1.00 12.22 O ATOM 0 H GLU A 62 -10.130 -17.532 0.044 1.00 24.54 H new ATOM 0 HA GLU A 62 -10.213 -15.351 -1.891 1.00 24.33 H new ATOM 0 HB2 GLU A 62 -9.341 -15.795 0.916 1.00 14.30 H new ATOM 0 HB3 GLU A 62 -8.330 -14.696 -0.001 1.00 14.30 H new ATOM 0 HG2 GLU A 62 -9.820 -13.136 0.681 1.00 12.11 H new ATOM 0 HG3 GLU A 62 -10.770 -13.717 -0.672 1.00 12.11 H new ATOM 936 N LEU A 63 -8.007 -17.548 -2.090 1.00 73.42 N ATOM 937 CA LEU A 63 -6.779 -17.989 -2.743 1.00 55.03 C ATOM 938 C LEU A 63 -6.918 -17.928 -4.261 1.00 41.31 C ATOM 939 O LEU A 63 -5.934 -17.738 -4.976 1.00 32.32 O ATOM 940 CB LEU A 63 -6.430 -19.413 -2.309 1.00 31.43 C ATOM 941 CG LEU A 63 -4.940 -19.752 -2.255 1.00 30.23 C ATOM 942 CD1 LEU A 63 -4.230 -18.876 -1.234 1.00 31.50 C ATOM 943 CD2 LEU A 63 -4.739 -21.225 -1.928 1.00 55.10 C ATOM 0 H LEU A 63 -8.622 -18.306 -1.794 1.00 73.42 H new ATOM 0 HA LEU A 63 -5.975 -17.317 -2.442 1.00 55.03 H new ATOM 0 HB2 LEU A 63 -6.857 -19.585 -1.321 1.00 31.43 H new ATOM 0 HB3 LEU A 63 -6.916 -20.109 -2.993 1.00 31.43 H new ATOM 0 HG LEU A 63 -4.507 -19.556 -3.236 1.00 30.23 H new ATOM 0 HD11 LEU A 63 -3.171 -19.131 -1.209 1.00 31.50 H new ATOM 0 HD12 LEU A 63 -4.344 -17.828 -1.512 1.00 31.50 H new ATOM 0 HD13 LEU A 63 -4.666 -19.040 -0.248 1.00 31.50 H new ATOM 0 HD21 LEU A 63 -3.673 -21.448 -1.894 1.00 55.10 H new ATOM 0 HD22 LEU A 63 -5.187 -21.447 -0.960 1.00 55.10 H new ATOM 0 HD23 LEU A 63 -5.213 -21.836 -2.696 1.00 55.10 H new ATOM 955 N GLN A 64 -8.145 -18.087 -4.745 1.00 74.31 N ATOM 956 CA GLN A 64 -8.412 -18.049 -6.178 1.00 40.52 C ATOM 957 C GLN A 64 -8.196 -16.645 -6.734 1.00 53.22 C ATOM 958 O GLN A 64 -8.285 -16.424 -7.943 1.00 14.23 O ATOM 959 CB GLN A 64 -9.842 -18.509 -6.465 1.00 31.31 C ATOM 960 CG GLN A 64 -10.895 -17.463 -6.139 1.00 54.33 C ATOM 961 CD GLN A 64 -12.296 -17.909 -6.511 1.00 2.15 C ATOM 962 OE1 GLN A 64 -12.582 -19.105 -6.575 1.00 51.33 O ATOM 963 NE2 GLN A 64 -13.178 -16.947 -6.757 1.00 30.43 N ATOM 0 H GLN A 64 -8.970 -18.243 -4.166 1.00 74.31 H new ATOM 0 HA GLN A 64 -7.715 -18.727 -6.670 1.00 40.52 H new ATOM 0 HB2 GLN A 64 -9.924 -18.778 -7.518 1.00 31.31 H new ATOM 0 HB3 GLN A 64 -10.047 -19.411 -5.888 1.00 31.31 H new ATOM 0 HG2 GLN A 64 -10.860 -17.238 -5.073 1.00 54.33 H new ATOM 0 HG3 GLN A 64 -10.660 -16.539 -6.667 1.00 54.33 H new ATOM 0 HE21 GLN A 64 -12.897 -15.969 -6.692 1.00 30.43 H new ATOM 0 HE22 GLN A 64 -14.136 -17.187 -7.011 1.00 30.43 H new ATOM 972 N LEU A 65 -7.913 -15.699 -5.845 1.00 62.15 N ATOM 973 CA LEU A 65 -7.684 -14.315 -6.247 1.00 75.42 C ATOM 974 C LEU A 65 -6.204 -13.958 -6.154 1.00 74.40 C ATOM 975 O LEU A 65 -5.843 -12.786 -6.055 1.00 1.33 O ATOM 976 CB LEU A 65 -8.506 -13.367 -5.371 1.00 65.35 C ATOM 977 CG LEU A 65 -9.872 -13.884 -4.921 1.00 33.11 C ATOM 978 CD1 LEU A 65 -10.415 -13.035 -3.782 1.00 53.12 C ATOM 979 CD2 LEU A 65 -10.848 -13.900 -6.089 1.00 22.22 C ATOM 0 H LEU A 65 -7.837 -15.865 -4.841 1.00 62.15 H new ATOM 0 HA LEU A 65 -7.999 -14.207 -7.285 1.00 75.42 H new ATOM 0 HB2 LEU A 65 -7.921 -13.126 -4.484 1.00 65.35 H new ATOM 0 HB3 LEU A 65 -8.654 -12.436 -5.918 1.00 65.35 H new ATOM 0 HG LEU A 65 -9.752 -14.906 -4.560 1.00 33.11 H new ATOM 0 HD11 LEU A 65 -11.388 -13.418 -3.475 1.00 53.12 H new ATOM 0 HD12 LEU A 65 -9.726 -13.075 -2.938 1.00 53.12 H new ATOM 0 HD13 LEU A 65 -10.520 -12.003 -4.116 1.00 53.12 H new ATOM 0 HD21 LEU A 65 -11.815 -14.271 -5.750 1.00 22.22 H new ATOM 0 HD22 LEU A 65 -10.964 -12.889 -6.480 1.00 22.22 H new ATOM 0 HD23 LEU A 65 -10.465 -14.551 -6.875 1.00 22.22 H new ATOM 991 N PHE A 66 -5.352 -14.977 -6.189 1.00 30.42 N ATOM 992 CA PHE A 66 -3.911 -14.771 -6.110 1.00 24.34 C ATOM 993 C PHE A 66 -3.404 -14.002 -7.326 1.00 5.12 C ATOM 994 O PHE A 66 -2.434 -13.248 -7.238 1.00 3.44 O ATOM 995 CB PHE A 66 -3.187 -16.115 -6.004 1.00 61.32 C ATOM 996 CG PHE A 66 -1.690 -15.990 -5.982 1.00 73.22 C ATOM 997 CD1 PHE A 66 -1.029 -15.628 -4.820 1.00 31.33 C ATOM 998 CD2 PHE A 66 -0.945 -16.234 -7.124 1.00 43.14 C ATOM 999 CE1 PHE A 66 0.348 -15.513 -4.796 1.00 1.41 C ATOM 1000 CE2 PHE A 66 0.433 -16.120 -7.107 1.00 35.34 C ATOM 1001 CZ PHE A 66 1.080 -15.758 -5.941 1.00 53.03 C ATOM 0 H PHE A 66 -5.635 -15.954 -6.272 1.00 30.42 H new ATOM 0 HA PHE A 66 -3.702 -14.182 -5.217 1.00 24.34 H new ATOM 0 HB2 PHE A 66 -3.514 -16.624 -5.098 1.00 61.32 H new ATOM 0 HB3 PHE A 66 -3.479 -16.743 -6.846 1.00 61.32 H new ATOM 0 HD1 PHE A 66 -1.596 -15.433 -3.922 1.00 31.33 H new ATOM 0 HD2 PHE A 66 -1.446 -16.516 -8.038 1.00 43.14 H new ATOM 0 HE1 PHE A 66 0.851 -15.232 -3.883 1.00 1.41 H new ATOM 0 HE2 PHE A 66 1.003 -16.314 -8.004 1.00 35.34 H new ATOM 0 HZ PHE A 66 2.156 -15.667 -5.925 1.00 53.03 H new ATOM 1011 N LEU A 67 -4.066 -14.198 -8.461 1.00 24.34 N ATOM 1012 CA LEU A 67 -3.683 -13.524 -9.696 1.00 42.12 C ATOM 1013 C LEU A 67 -4.297 -12.129 -9.768 1.00 63.42 C ATOM 1014 O LEU A 67 -4.139 -11.420 -10.762 1.00 74.33 O ATOM 1015 CB LEU A 67 -4.120 -14.349 -10.908 1.00 33.35 C ATOM 1016 CG LEU A 67 -3.323 -15.627 -11.173 1.00 1.33 C ATOM 1017 CD1 LEU A 67 -3.954 -16.425 -12.303 1.00 44.33 C ATOM 1018 CD2 LEU A 67 -1.874 -15.293 -11.497 1.00 21.34 C ATOM 0 H LEU A 67 -4.871 -14.818 -8.551 1.00 24.34 H new ATOM 0 HA LEU A 67 -2.598 -13.424 -9.705 1.00 42.12 H new ATOM 0 HB2 LEU A 67 -5.168 -14.619 -10.780 1.00 33.35 H new ATOM 0 HB3 LEU A 67 -4.059 -13.717 -11.794 1.00 33.35 H new ATOM 0 HG LEU A 67 -3.341 -16.238 -10.271 1.00 1.33 H new ATOM 0 HD11 LEU A 67 -3.373 -17.331 -12.477 1.00 44.33 H new ATOM 0 HD12 LEU A 67 -4.975 -16.695 -12.032 1.00 44.33 H new ATOM 0 HD13 LEU A 67 -3.967 -15.822 -13.211 1.00 44.33 H new ATOM 0 HD21 LEU A 67 -1.321 -16.214 -11.683 1.00 21.34 H new ATOM 0 HD22 LEU A 67 -1.836 -14.661 -12.385 1.00 21.34 H new ATOM 0 HD23 LEU A 67 -1.426 -14.764 -10.656 1.00 21.34 H new ATOM 1030 N LYS A 68 -4.995 -11.741 -8.707 1.00 54.20 N ATOM 1031 CA LYS A 68 -5.631 -10.430 -8.647 1.00 3.32 C ATOM 1032 C LYS A 68 -4.744 -9.429 -7.912 1.00 55.01 C ATOM 1033 O LYS A 68 -4.921 -8.218 -8.041 1.00 22.32 O ATOM 1034 CB LYS A 68 -6.990 -10.530 -7.951 1.00 20.30 C ATOM 1035 CG LYS A 68 -7.909 -11.574 -8.560 1.00 74.54 C ATOM 1036 CD LYS A 68 -8.322 -11.197 -9.973 1.00 73.42 C ATOM 1037 CE LYS A 68 -9.779 -10.764 -10.031 1.00 51.32 C ATOM 1038 NZ LYS A 68 -10.136 -10.194 -11.360 1.00 63.01 N ATOM 0 H LYS A 68 -5.135 -12.316 -7.876 1.00 54.20 H new ATOM 0 HA LYS A 68 -5.778 -10.078 -9.668 1.00 3.32 H new ATOM 0 HB2 LYS A 68 -6.833 -10.766 -6.898 1.00 20.30 H new ATOM 0 HB3 LYS A 68 -7.482 -9.558 -7.990 1.00 20.30 H new ATOM 0 HG2 LYS A 68 -7.405 -12.540 -8.573 1.00 74.54 H new ATOM 0 HG3 LYS A 68 -8.797 -11.686 -7.938 1.00 74.54 H new ATOM 0 HD2 LYS A 68 -7.687 -10.389 -10.336 1.00 73.42 H new ATOM 0 HD3 LYS A 68 -8.167 -12.047 -10.638 1.00 73.42 H new ATOM 0 HE2 LYS A 68 -10.421 -11.619 -9.818 1.00 51.32 H new ATOM 0 HE3 LYS A 68 -9.969 -10.022 -9.255 1.00 51.32 H new ATOM 0 HZ1 LYS A 68 -11.126 -10.422 -11.581 1.00 63.01 H new ATOM 0 HZ2 LYS A 68 -10.015 -9.161 -11.339 1.00 63.01 H new ATOM 0 HZ3 LYS A 68 -9.516 -10.600 -12.090 1.00 63.01 H new ATOM 1052 N ASN A 69 -3.791 -9.943 -7.143 1.00 25.43 N ATOM 1053 CA ASN A 69 -2.876 -9.094 -6.388 1.00 70.13 C ATOM 1054 C ASN A 69 -1.705 -8.648 -7.259 1.00 12.44 C ATOM 1055 O ASN A 69 -1.016 -7.678 -6.941 1.00 51.13 O ATOM 1056 CB ASN A 69 -2.356 -9.837 -5.156 1.00 61.22 C ATOM 1057 CG ASN A 69 -3.419 -10.707 -4.514 1.00 72.21 C ATOM 1058 OD1 ASN A 69 -4.486 -10.224 -4.133 1.00 65.00 O ATOM 1059 ND2 ASN A 69 -3.132 -11.998 -4.391 1.00 55.01 N ATOM 0 H ASN A 69 -3.632 -10.944 -7.026 1.00 25.43 H new ATOM 0 HA ASN A 69 -3.424 -8.209 -6.065 1.00 70.13 H new ATOM 0 HB2 ASN A 69 -1.506 -10.457 -5.441 1.00 61.22 H new ATOM 0 HB3 ASN A 69 -1.992 -9.114 -4.426 1.00 61.22 H new ATOM 0 HD21 ASN A 69 -3.808 -12.633 -3.967 1.00 55.01 H new ATOM 0 HD22 ASN A 69 -2.235 -12.355 -4.721 1.00 55.01 H new ATOM 1066 N PHE A 70 -1.486 -9.362 -8.358 1.00 12.51 N ATOM 1067 CA PHE A 70 -0.399 -9.040 -9.275 1.00 3.45 C ATOM 1068 C PHE A 70 -0.938 -8.430 -10.565 1.00 41.03 C ATOM 1069 O PHE A 70 -0.439 -7.408 -11.038 1.00 32.54 O ATOM 1070 CB PHE A 70 0.417 -10.294 -9.592 1.00 24.42 C ATOM 1071 CG PHE A 70 1.076 -10.902 -8.386 1.00 41.24 C ATOM 1072 CD1 PHE A 70 0.337 -11.636 -7.473 1.00 31.01 C ATOM 1073 CD2 PHE A 70 2.434 -10.739 -8.167 1.00 24.01 C ATOM 1074 CE1 PHE A 70 0.941 -12.195 -6.363 1.00 35.25 C ATOM 1075 CE2 PHE A 70 3.044 -11.296 -7.058 1.00 74.34 C ATOM 1076 CZ PHE A 70 2.296 -12.026 -6.156 1.00 33.34 C ATOM 0 H PHE A 70 -2.047 -10.168 -8.635 1.00 12.51 H new ATOM 0 HA PHE A 70 0.247 -8.308 -8.790 1.00 3.45 H new ATOM 0 HB2 PHE A 70 -0.236 -11.036 -10.052 1.00 24.42 H new ATOM 0 HB3 PHE A 70 1.182 -10.044 -10.327 1.00 24.42 H new ATOM 0 HD1 PHE A 70 -0.723 -11.773 -7.630 1.00 31.01 H new ATOM 0 HD2 PHE A 70 3.023 -10.170 -8.871 1.00 24.01 H new ATOM 0 HE1 PHE A 70 0.354 -12.764 -5.657 1.00 35.25 H new ATOM 0 HE2 PHE A 70 4.103 -11.160 -6.898 1.00 74.34 H new ATOM 0 HZ PHE A 70 2.770 -12.464 -5.290 1.00 33.34 H new ATOM 1086 N SER A 71 -1.959 -9.065 -11.131 1.00 14.10 N ATOM 1087 CA SER A 71 -2.564 -8.589 -12.369 1.00 52.44 C ATOM 1088 C SER A 71 -4.059 -8.347 -12.186 1.00 14.21 C ATOM 1089 O SER A 71 -4.698 -8.959 -11.330 1.00 71.32 O ATOM 1090 CB SER A 71 -2.334 -9.598 -13.496 1.00 22.24 C ATOM 1091 OG SER A 71 -3.215 -10.702 -13.379 1.00 54.35 O ATOM 0 H SER A 71 -2.385 -9.911 -10.752 1.00 14.10 H new ATOM 0 HA SER A 71 -2.090 -7.644 -12.635 1.00 52.44 H new ATOM 0 HB2 SER A 71 -2.482 -9.111 -14.460 1.00 22.24 H new ATOM 0 HB3 SER A 71 -1.302 -9.948 -13.470 1.00 22.24 H new ATOM 0 HG SER A 71 -3.410 -10.866 -12.433 1.00 54.35 H new ATOM 1097 N SER A 72 -4.611 -7.449 -12.996 1.00 51.01 N ATOM 1098 CA SER A 72 -6.030 -7.122 -12.922 1.00 32.14 C ATOM 1099 C SER A 72 -6.809 -7.826 -14.029 1.00 23.22 C ATOM 1100 O SER A 72 -8.039 -7.863 -14.011 1.00 40.53 O ATOM 1101 CB SER A 72 -6.233 -5.609 -13.023 1.00 63.11 C ATOM 1102 OG SER A 72 -7.610 -5.282 -13.087 1.00 31.11 O ATOM 0 H SER A 72 -4.097 -6.935 -13.711 1.00 51.01 H new ATOM 0 HA SER A 72 -6.407 -7.468 -11.960 1.00 32.14 H new ATOM 0 HB2 SER A 72 -5.780 -5.120 -12.161 1.00 63.11 H new ATOM 0 HB3 SER A 72 -5.724 -5.229 -13.909 1.00 63.11 H new ATOM 0 HG SER A 72 -8.129 -6.088 -13.289 1.00 31.11 H new ATOM 1108 N SER A 73 -6.082 -8.385 -14.991 1.00 42.35 N ATOM 1109 CA SER A 73 -6.703 -9.085 -16.110 1.00 1.23 C ATOM 1110 C SER A 73 -7.183 -10.469 -15.684 1.00 55.05 C ATOM 1111 O SER A 73 -8.343 -10.826 -15.890 1.00 51.33 O ATOM 1112 CB SER A 73 -5.716 -9.210 -17.272 1.00 0.10 C ATOM 1113 OG SER A 73 -6.033 -10.321 -18.093 1.00 3.04 O ATOM 0 H SER A 73 -5.063 -8.367 -15.018 1.00 42.35 H new ATOM 0 HA SER A 73 -7.566 -8.504 -16.437 1.00 1.23 H new ATOM 0 HB2 SER A 73 -5.733 -8.297 -17.867 1.00 0.10 H new ATOM 0 HB3 SER A 73 -4.703 -9.318 -16.883 1.00 0.10 H new ATOM 0 HG SER A 73 -5.389 -10.378 -18.829 1.00 3.04 H new ATOM 1119 N ALA A 74 -6.283 -11.244 -15.090 1.00 64.41 N ATOM 1120 CA ALA A 74 -6.614 -12.589 -14.634 1.00 3.53 C ATOM 1121 C ALA A 74 -7.865 -12.580 -13.763 1.00 15.22 C ATOM 1122 O ALA A 74 -8.003 -11.748 -12.866 1.00 54.51 O ATOM 1123 CB ALA A 74 -5.443 -13.191 -13.872 1.00 5.33 C ATOM 0 H ALA A 74 -5.318 -10.964 -14.913 1.00 64.41 H new ATOM 0 HA ALA A 74 -6.817 -13.204 -15.511 1.00 3.53 H new ATOM 0 HB1 ALA A 74 -5.704 -14.195 -13.538 1.00 5.33 H new ATOM 0 HB2 ALA A 74 -4.571 -13.241 -14.525 1.00 5.33 H new ATOM 0 HB3 ALA A 74 -5.213 -12.569 -13.007 1.00 5.33 H new ATOM 1129 N ARG A 75 -8.775 -13.510 -14.033 1.00 53.01 N ATOM 1130 CA ARG A 75 -10.017 -13.608 -13.275 1.00 42.40 C ATOM 1131 C ARG A 75 -9.774 -14.255 -11.915 1.00 22.21 C ATOM 1132 O ARG A 75 -9.842 -13.593 -10.879 1.00 70.22 O ATOM 1133 CB ARG A 75 -11.055 -14.414 -14.057 1.00 51.25 C ATOM 1134 CG ARG A 75 -10.817 -14.419 -15.559 1.00 21.23 C ATOM 1135 CD ARG A 75 -12.042 -14.909 -16.315 1.00 64.32 C ATOM 1136 NE ARG A 75 -11.820 -14.933 -17.759 1.00 31.35 N ATOM 1137 CZ ARG A 75 -11.045 -15.823 -18.368 1.00 74.55 C ATOM 1138 NH1 ARG A 75 -10.422 -16.758 -17.664 1.00 51.10 N ATOM 1139 NH2 ARG A 75 -10.893 -15.780 -19.686 1.00 35.40 N ATOM 0 H ARG A 75 -8.676 -14.207 -14.771 1.00 53.01 H new ATOM 0 HA ARG A 75 -10.396 -12.599 -13.116 1.00 42.40 H new ATOM 0 HB2 ARG A 75 -11.053 -15.442 -13.694 1.00 51.25 H new ATOM 0 HB3 ARG A 75 -12.046 -14.007 -13.856 1.00 51.25 H new ATOM 0 HG2 ARG A 75 -10.561 -13.413 -15.891 1.00 21.23 H new ATOM 0 HG3 ARG A 75 -9.965 -15.058 -15.791 1.00 21.23 H new ATOM 0 HD2 ARG A 75 -12.304 -15.910 -15.972 1.00 64.32 H new ATOM 0 HD3 ARG A 75 -12.890 -14.263 -16.089 1.00 64.32 H new ATOM 0 HE ARG A 75 -12.286 -14.228 -18.330 1.00 31.35 H new ATOM 0 HH11 ARG A 75 -10.537 -16.795 -16.651 1.00 51.10 H new ATOM 0 HH12 ARG A 75 -9.828 -17.440 -18.135 1.00 51.10 H new ATOM 0 HH21 ARG A 75 -11.372 -15.063 -20.231 1.00 35.40 H new ATOM 0 HH22 ARG A 75 -10.298 -16.464 -20.153 1.00 35.40 H new ATOM 1153 N VAL A 76 -9.490 -15.554 -11.926 1.00 14.13 N ATOM 1154 CA VAL A 76 -9.237 -16.291 -10.694 1.00 23.23 C ATOM 1155 C VAL A 76 -8.509 -17.601 -10.977 1.00 14.20 C ATOM 1156 O VAL A 76 -8.554 -18.120 -12.093 1.00 51.11 O ATOM 1157 CB VAL A 76 -10.546 -16.596 -9.942 1.00 72.13 C ATOM 1158 CG1 VAL A 76 -10.932 -15.429 -9.046 1.00 22.31 C ATOM 1159 CG2 VAL A 76 -11.662 -16.915 -10.925 1.00 72.35 C ATOM 0 H VAL A 76 -9.430 -16.117 -12.774 1.00 14.13 H new ATOM 0 HA VAL A 76 -8.608 -15.656 -10.070 1.00 23.23 H new ATOM 0 HB VAL A 76 -10.387 -17.470 -9.311 1.00 72.13 H new ATOM 0 HG11 VAL A 76 -11.859 -15.663 -8.523 1.00 22.31 H new ATOM 0 HG12 VAL A 76 -10.140 -15.251 -8.319 1.00 22.31 H new ATOM 0 HG13 VAL A 76 -11.074 -14.535 -9.654 1.00 22.31 H new ATOM 0 HG21 VAL A 76 -12.580 -17.128 -10.377 1.00 72.35 H new ATOM 0 HG22 VAL A 76 -11.822 -16.061 -11.583 1.00 72.35 H new ATOM 0 HG23 VAL A 76 -11.385 -17.785 -11.520 1.00 72.35 H new ATOM 1169 N LEU A 77 -7.840 -18.131 -9.960 1.00 21.25 N ATOM 1170 CA LEU A 77 -7.102 -19.382 -10.098 1.00 73.10 C ATOM 1171 C LEU A 77 -8.004 -20.490 -10.633 1.00 14.14 C ATOM 1172 O LEU A 77 -9.225 -20.339 -10.690 1.00 52.52 O ATOM 1173 CB LEU A 77 -6.508 -19.798 -8.752 1.00 24.25 C ATOM 1174 CG LEU A 77 -5.581 -18.781 -8.084 1.00 61.41 C ATOM 1175 CD1 LEU A 77 -4.751 -19.448 -6.998 1.00 13.03 C ATOM 1176 CD2 LEU A 77 -4.679 -18.123 -9.118 1.00 10.11 C ATOM 0 H LEU A 77 -7.793 -17.714 -9.030 1.00 21.25 H new ATOM 0 HA LEU A 77 -6.293 -19.221 -10.811 1.00 73.10 H new ATOM 0 HB2 LEU A 77 -7.328 -20.017 -8.068 1.00 24.25 H new ATOM 0 HB3 LEU A 77 -5.954 -20.726 -8.893 1.00 24.25 H new ATOM 0 HG LEU A 77 -6.194 -18.008 -7.621 1.00 61.41 H new ATOM 0 HD11 LEU A 77 -4.098 -18.709 -6.534 1.00 13.03 H new ATOM 0 HD12 LEU A 77 -5.413 -19.872 -6.243 1.00 13.03 H new ATOM 0 HD13 LEU A 77 -4.147 -20.242 -7.438 1.00 13.03 H new ATOM 0 HD21 LEU A 77 -4.026 -17.402 -8.625 1.00 10.11 H new ATOM 0 HD22 LEU A 77 -4.073 -18.884 -9.610 1.00 10.11 H new ATOM 0 HD23 LEU A 77 -5.290 -17.610 -9.861 1.00 10.11 H new ATOM 1188 N THR A 78 -7.396 -21.606 -11.021 1.00 64.03 N ATOM 1189 CA THR A 78 -8.143 -22.740 -11.550 1.00 30.01 C ATOM 1190 C THR A 78 -7.760 -24.032 -10.836 1.00 52.45 C ATOM 1191 O THR A 78 -7.101 -24.006 -9.797 1.00 44.15 O ATOM 1192 CB THR A 78 -7.907 -22.913 -13.062 1.00 43.22 C ATOM 1193 OG1 THR A 78 -8.905 -23.775 -13.619 1.00 32.23 O ATOM 1194 CG2 THR A 78 -6.525 -23.489 -13.332 1.00 3.24 C ATOM 0 H THR A 78 -6.387 -21.749 -10.979 1.00 64.03 H new ATOM 0 HA THR A 78 -9.199 -22.531 -11.377 1.00 30.01 H new ATOM 0 HB THR A 78 -7.973 -21.931 -13.531 1.00 43.22 H new ATOM 0 HG1 THR A 78 -8.748 -23.878 -14.581 1.00 32.23 H new ATOM 0 HG21 THR A 78 -6.382 -23.602 -14.407 1.00 3.24 H new ATOM 0 HG22 THR A 78 -5.766 -22.816 -12.933 1.00 3.24 H new ATOM 0 HG23 THR A 78 -6.436 -24.462 -12.850 1.00 3.24 H new ATOM 1202 N SER A 79 -8.178 -25.160 -11.401 1.00 64.20 N ATOM 1203 CA SER A 79 -7.881 -26.463 -10.816 1.00 43.35 C ATOM 1204 C SER A 79 -6.425 -26.848 -11.060 1.00 62.42 C ATOM 1205 O SER A 79 -6.138 -27.876 -11.673 1.00 22.33 O ATOM 1206 CB SER A 79 -8.808 -27.531 -11.400 1.00 44.43 C ATOM 1207 OG SER A 79 -8.615 -27.664 -12.798 1.00 31.31 O ATOM 0 H SER A 79 -8.723 -25.198 -12.262 1.00 64.20 H new ATOM 0 HA SER A 79 -8.046 -26.398 -9.741 1.00 43.35 H new ATOM 0 HB2 SER A 79 -8.620 -28.487 -10.911 1.00 44.43 H new ATOM 0 HB3 SER A 79 -9.846 -27.267 -11.196 1.00 44.43 H new ATOM 0 HG SER A 79 -7.690 -27.934 -12.976 1.00 31.31 H new ATOM 1213 N ALA A 80 -5.510 -26.015 -10.576 1.00 24.32 N ATOM 1214 CA ALA A 80 -4.083 -26.269 -10.739 1.00 14.25 C ATOM 1215 C ALA A 80 -3.252 -25.166 -10.092 1.00 15.13 C ATOM 1216 O ALA A 80 -2.199 -25.429 -9.514 1.00 5.02 O ATOM 1217 CB ALA A 80 -3.735 -26.398 -12.214 1.00 74.21 C ATOM 0 H ALA A 80 -5.731 -25.159 -10.068 1.00 24.32 H new ATOM 0 HA ALA A 80 -3.847 -27.208 -10.238 1.00 14.25 H new ATOM 0 HB1 ALA A 80 -2.667 -26.587 -12.321 1.00 74.21 H new ATOM 0 HB2 ALA A 80 -4.295 -27.225 -12.649 1.00 74.21 H new ATOM 0 HB3 ALA A 80 -3.993 -25.474 -12.731 1.00 74.21 H new ATOM 1223 N GLU A 81 -3.734 -23.931 -10.194 1.00 71.02 N ATOM 1224 CA GLU A 81 -3.033 -22.788 -9.620 1.00 34.52 C ATOM 1225 C GLU A 81 -3.304 -22.681 -8.122 1.00 32.01 C ATOM 1226 O GLU A 81 -2.384 -22.503 -7.323 1.00 43.14 O ATOM 1227 CB GLU A 81 -3.459 -21.496 -10.320 1.00 61.31 C ATOM 1228 CG GLU A 81 -3.189 -21.497 -11.815 1.00 43.03 C ATOM 1229 CD GLU A 81 -2.952 -20.104 -12.366 1.00 21.10 C ATOM 1230 OE1 GLU A 81 -2.278 -19.303 -11.685 1.00 53.02 O ATOM 1231 OE2 GLU A 81 -3.441 -19.816 -13.479 1.00 4.24 O ATOM 0 H GLU A 81 -4.606 -23.697 -10.668 1.00 71.02 H new ATOM 0 HA GLU A 81 -1.964 -22.937 -9.769 1.00 34.52 H new ATOM 0 HB2 GLU A 81 -4.524 -21.335 -10.152 1.00 61.31 H new ATOM 0 HB3 GLU A 81 -2.934 -20.656 -9.865 1.00 61.31 H new ATOM 0 HG2 GLU A 81 -2.318 -22.119 -12.023 1.00 43.03 H new ATOM 0 HG3 GLU A 81 -4.035 -21.949 -12.333 1.00 43.03 H new ATOM 1238 N THR A 82 -4.575 -22.790 -7.747 1.00 31.02 N ATOM 1239 CA THR A 82 -4.969 -22.704 -6.346 1.00 42.43 C ATOM 1240 C THR A 82 -4.460 -23.904 -5.557 1.00 23.30 C ATOM 1241 O THR A 82 -4.073 -23.778 -4.395 1.00 44.11 O ATOM 1242 CB THR A 82 -6.499 -22.617 -6.197 1.00 75.23 C ATOM 1243 OG1 THR A 82 -7.093 -22.249 -7.447 1.00 74.43 O ATOM 1244 CG2 THR A 82 -6.883 -21.603 -5.130 1.00 61.30 C ATOM 0 H THR A 82 -5.349 -22.938 -8.394 1.00 31.02 H new ATOM 0 HA THR A 82 -4.521 -21.794 -5.947 1.00 42.43 H new ATOM 0 HB THR A 82 -6.868 -23.597 -5.894 1.00 75.23 H new ATOM 0 HG1 THR A 82 -8.066 -22.198 -7.344 1.00 74.43 H new ATOM 0 HG21 THR A 82 -7.969 -21.560 -5.043 1.00 61.30 H new ATOM 0 HG22 THR A 82 -6.454 -21.901 -4.173 1.00 61.30 H new ATOM 0 HG23 THR A 82 -6.502 -20.620 -5.408 1.00 61.30 H new ATOM 1252 N LYS A 83 -4.462 -25.070 -6.195 1.00 0.21 N ATOM 1253 CA LYS A 83 -3.998 -26.294 -5.554 1.00 34.54 C ATOM 1254 C LYS A 83 -2.482 -26.281 -5.386 1.00 53.31 C ATOM 1255 O LYS A 83 -1.964 -26.593 -4.314 1.00 51.45 O ATOM 1256 CB LYS A 83 -4.420 -27.515 -6.374 1.00 35.50 C ATOM 1257 CG LYS A 83 -5.921 -27.616 -6.586 1.00 70.34 C ATOM 1258 CD LYS A 83 -6.620 -28.189 -5.365 1.00 0.02 C ATOM 1259 CE LYS A 83 -8.110 -27.884 -5.381 1.00 71.32 C ATOM 1260 NZ LYS A 83 -8.692 -27.889 -4.011 1.00 33.03 N ATOM 0 H LYS A 83 -4.780 -25.192 -7.156 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.454 -26.351 -4.566 1.00 34.54 H new ATOM 0 HB2 LYS A 83 -3.926 -27.479 -7.345 1.00 35.50 H new ATOM 0 HB3 LYS A 83 -4.071 -28.417 -5.872 1.00 35.50 H new ATOM 0 HG2 LYS A 83 -6.325 -26.628 -6.807 1.00 70.34 H new ATOM 0 HG3 LYS A 83 -6.125 -28.246 -7.452 1.00 70.34 H new ATOM 0 HD2 LYS A 83 -6.469 -29.268 -5.331 1.00 0.02 H new ATOM 0 HD3 LYS A 83 -6.173 -27.776 -4.461 1.00 0.02 H new ATOM 0 HE2 LYS A 83 -8.276 -26.911 -5.843 1.00 71.32 H new ATOM 0 HE3 LYS A 83 -8.625 -28.621 -5.997 1.00 71.32 H new ATOM 0 HZ1 LYS A 83 -9.709 -27.677 -4.065 1.00 33.03 H new ATOM 0 HZ2 LYS A 83 -8.556 -28.825 -3.579 1.00 33.03 H new ATOM 0 HZ3 LYS A 83 -8.218 -27.168 -3.430 1.00 33.03 H new ATOM 1274 N ALA A 84 -1.777 -25.916 -6.452 1.00 11.11 N ATOM 1275 CA ALA A 84 -0.321 -25.858 -6.421 1.00 60.12 C ATOM 1276 C ALA A 84 0.165 -24.732 -5.515 1.00 33.23 C ATOM 1277 O ALA A 84 1.356 -24.627 -5.222 1.00 61.31 O ATOM 1278 CB ALA A 84 0.230 -25.680 -7.828 1.00 71.53 C ATOM 0 H ALA A 84 -2.191 -25.656 -7.347 1.00 11.11 H new ATOM 0 HA ALA A 84 0.046 -26.800 -6.015 1.00 60.12 H new ATOM 0 HB1 ALA A 84 1.319 -25.638 -7.790 1.00 71.53 H new ATOM 0 HB2 ALA A 84 -0.079 -26.521 -8.449 1.00 71.53 H new ATOM 0 HB3 ALA A 84 -0.154 -24.753 -8.255 1.00 71.53 H new ATOM 1284 N PHE A 85 -0.765 -23.891 -5.074 1.00 21.35 N ATOM 1285 CA PHE A 85 -0.431 -22.771 -4.201 1.00 62.33 C ATOM 1286 C PHE A 85 -0.832 -23.067 -2.759 1.00 44.10 C ATOM 1287 O PHE A 85 -0.049 -22.861 -1.830 1.00 62.44 O ATOM 1288 CB PHE A 85 -1.125 -21.496 -4.684 1.00 71.35 C ATOM 1289 CG PHE A 85 -0.653 -20.254 -3.984 1.00 63.42 C ATOM 1290 CD1 PHE A 85 0.505 -19.612 -4.391 1.00 5.23 C ATOM 1291 CD2 PHE A 85 -1.367 -19.730 -2.919 1.00 2.21 C ATOM 1292 CE1 PHE A 85 0.943 -18.469 -3.749 1.00 12.53 C ATOM 1293 CE2 PHE A 85 -0.935 -18.587 -2.273 1.00 43.34 C ATOM 1294 CZ PHE A 85 0.222 -17.956 -2.688 1.00 1.01 C ATOM 0 H PHE A 85 -1.755 -23.964 -5.307 1.00 21.35 H new ATOM 0 HA PHE A 85 0.649 -22.624 -4.236 1.00 62.33 H new ATOM 0 HB2 PHE A 85 -0.958 -21.385 -5.755 1.00 71.35 H new ATOM 0 HB3 PHE A 85 -2.200 -21.599 -4.538 1.00 71.35 H new ATOM 0 HD1 PHE A 85 1.072 -20.009 -5.220 1.00 5.23 H new ATOM 0 HD2 PHE A 85 -2.271 -20.220 -2.590 1.00 2.21 H new ATOM 0 HE1 PHE A 85 1.847 -17.978 -4.076 1.00 12.53 H new ATOM 0 HE2 PHE A 85 -1.501 -18.188 -1.445 1.00 43.34 H new ATOM 0 HZ PHE A 85 0.562 -17.063 -2.184 1.00 1.01 H new ATOM 1304 N LEU A 86 -2.056 -23.550 -2.579 1.00 10.42 N ATOM 1305 CA LEU A 86 -2.563 -23.874 -1.250 1.00 2.53 C ATOM 1306 C LEU A 86 -1.810 -25.059 -0.654 1.00 0.21 C ATOM 1307 O LEU A 86 -1.271 -24.973 0.449 1.00 32.42 O ATOM 1308 CB LEU A 86 -4.059 -24.186 -1.315 1.00 1.40 C ATOM 1309 CG LEU A 86 -4.873 -23.831 -0.070 1.00 54.04 C ATOM 1310 CD1 LEU A 86 -6.341 -23.651 -0.426 1.00 61.12 C ATOM 1311 CD2 LEU A 86 -4.709 -24.902 0.998 1.00 71.54 C ATOM 0 H LEU A 86 -2.716 -23.726 -3.336 1.00 10.42 H new ATOM 0 HA LEU A 86 -2.407 -23.008 -0.607 1.00 2.53 H new ATOM 0 HB2 LEU A 86 -4.484 -23.654 -2.166 1.00 1.40 H new ATOM 0 HB3 LEU A 86 -4.179 -25.251 -1.512 1.00 1.40 H new ATOM 0 HG LEU A 86 -4.498 -22.888 0.329 1.00 54.04 H new ATOM 0 HD11 LEU A 86 -6.905 -23.399 0.472 1.00 61.12 H new ATOM 0 HD12 LEU A 86 -6.443 -22.848 -1.156 1.00 61.12 H new ATOM 0 HD13 LEU A 86 -6.729 -24.577 -0.850 1.00 61.12 H new ATOM 0 HD21 LEU A 86 -5.295 -24.633 1.877 1.00 71.54 H new ATOM 0 HD22 LEU A 86 -5.056 -25.859 0.610 1.00 71.54 H new ATOM 0 HD23 LEU A 86 -3.658 -24.982 1.274 1.00 71.54 H new ATOM 1323 N ALA A 87 -1.776 -26.163 -1.392 1.00 64.14 N ATOM 1324 CA ALA A 87 -1.085 -27.364 -0.939 1.00 72.11 C ATOM 1325 C ALA A 87 0.417 -27.125 -0.827 1.00 53.14 C ATOM 1326 O ALA A 87 1.134 -27.905 -0.202 1.00 1.22 O ATOM 1327 CB ALA A 87 -1.368 -28.524 -1.883 1.00 12.42 C ATOM 0 H ALA A 87 -2.219 -26.251 -2.307 1.00 64.14 H new ATOM 0 HA ALA A 87 -1.461 -27.617 0.053 1.00 72.11 H new ATOM 0 HB1 ALA A 87 -0.846 -29.414 -1.532 1.00 12.42 H new ATOM 0 HB2 ALA A 87 -2.440 -28.719 -1.909 1.00 12.42 H new ATOM 0 HB3 ALA A 87 -1.021 -28.271 -2.885 1.00 12.42 H new ATOM 1333 N ALA A 88 0.886 -26.042 -1.439 1.00 13.04 N ATOM 1334 CA ALA A 88 2.302 -25.700 -1.406 1.00 42.24 C ATOM 1335 C ALA A 88 2.597 -24.687 -0.306 1.00 3.34 C ATOM 1336 O ALA A 88 3.705 -24.641 0.229 1.00 54.45 O ATOM 1337 CB ALA A 88 2.745 -25.158 -2.757 1.00 62.25 C ATOM 0 H ALA A 88 0.306 -25.387 -1.963 1.00 13.04 H new ATOM 0 HA ALA A 88 2.865 -26.608 -1.188 1.00 42.24 H new ATOM 0 HB1 ALA A 88 3.805 -24.906 -2.718 1.00 62.25 H new ATOM 0 HB2 ALA A 88 2.579 -25.914 -3.524 1.00 62.25 H new ATOM 0 HB3 ALA A 88 2.169 -24.265 -2.997 1.00 62.25 H new ATOM 1343 N GLY A 89 1.599 -23.875 0.029 1.00 54.02 N ATOM 1344 CA GLY A 89 1.772 -22.873 1.064 1.00 41.31 C ATOM 1345 C GLY A 89 1.263 -23.339 2.413 1.00 15.33 C ATOM 1346 O GLY A 89 2.032 -23.459 3.367 1.00 34.21 O ATOM 0 H GLY A 89 0.673 -23.893 -0.398 1.00 54.02 H new ATOM 0 HA2 GLY A 89 2.829 -22.619 1.146 1.00 41.31 H new ATOM 0 HA3 GLY A 89 1.246 -21.963 0.776 1.00 41.31 H new ATOM 1350 N ASP A 90 -0.037 -23.600 2.495 1.00 54.31 N ATOM 1351 CA ASP A 90 -0.649 -24.054 3.738 1.00 35.40 C ATOM 1352 C ASP A 90 0.107 -25.249 4.311 1.00 75.34 C ATOM 1353 O ASP A 90 -0.034 -26.375 3.831 1.00 1.01 O ATOM 1354 CB ASP A 90 -2.114 -24.426 3.504 1.00 74.51 C ATOM 1355 CG ASP A 90 -2.670 -25.311 4.603 1.00 63.23 C ATOM 1356 OD1 ASP A 90 -2.542 -24.937 5.788 1.00 71.15 O ATOM 1357 OD2 ASP A 90 -3.233 -26.377 4.278 1.00 63.22 O ATOM 0 H ASP A 90 -0.687 -23.505 1.715 1.00 54.31 H new ATOM 0 HA ASP A 90 -0.600 -23.237 4.458 1.00 35.40 H new ATOM 0 HB2 ASP A 90 -2.711 -23.516 3.438 1.00 74.51 H new ATOM 0 HB3 ASP A 90 -2.207 -24.939 2.547 1.00 74.51 H new ATOM 1362 N THR A 91 0.910 -24.997 5.339 1.00 23.22 N ATOM 1363 CA THR A 91 1.690 -26.051 5.976 1.00 44.12 C ATOM 1364 C THR A 91 1.342 -26.176 7.454 1.00 12.05 C ATOM 1365 O THR A 91 1.222 -27.282 7.982 1.00 13.33 O ATOM 1366 CB THR A 91 3.202 -25.793 5.837 1.00 45.55 C ATOM 1367 OG1 THR A 91 3.488 -24.410 6.079 1.00 32.41 O ATOM 1368 CG2 THR A 91 3.692 -26.181 4.450 1.00 43.24 C ATOM 0 H THR A 91 1.038 -24.072 5.749 1.00 23.22 H new ATOM 0 HA THR A 91 1.439 -26.981 5.466 1.00 44.12 H new ATOM 0 HB THR A 91 3.721 -26.406 6.574 1.00 45.55 H new ATOM 0 HG1 THR A 91 3.198 -23.877 5.310 1.00 32.41 H new ATOM 0 HG21 THR A 91 4.763 -25.990 4.376 1.00 43.24 H new ATOM 0 HG22 THR A 91 3.500 -27.240 4.279 1.00 43.24 H new ATOM 0 HG23 THR A 91 3.165 -25.591 3.700 1.00 43.24 H new ATOM 1376 N ASP A 92 1.180 -25.036 8.118 1.00 70.43 N ATOM 1377 CA ASP A 92 0.843 -25.019 9.536 1.00 0.35 C ATOM 1378 C ASP A 92 -0.506 -24.344 9.766 1.00 4.33 C ATOM 1379 O ASP A 92 -0.730 -23.718 10.802 1.00 62.24 O ATOM 1380 CB ASP A 92 1.931 -24.296 10.332 1.00 42.11 C ATOM 1381 CG ASP A 92 1.828 -24.555 11.822 1.00 14.11 C ATOM 1382 OD1 ASP A 92 1.158 -25.536 12.208 1.00 2.32 O ATOM 1383 OD2 ASP A 92 2.415 -23.776 12.602 1.00 23.43 O ATOM 0 H ASP A 92 1.277 -24.112 7.696 1.00 70.43 H new ATOM 0 HA ASP A 92 0.776 -26.051 9.881 1.00 0.35 H new ATOM 0 HB2 ASP A 92 2.910 -24.617 9.977 1.00 42.11 H new ATOM 0 HB3 ASP A 92 1.861 -23.224 10.147 1.00 42.11 H new ATOM 1388 N GLY A 93 -1.401 -24.474 8.792 1.00 70.50 N ATOM 1389 CA GLY A 93 -2.716 -23.871 8.907 1.00 62.01 C ATOM 1390 C GLY A 93 -3.834 -24.872 8.694 1.00 61.11 C ATOM 1391 O GLY A 93 -3.599 -26.081 8.676 1.00 12.44 O ATOM 0 H GLY A 93 -1.239 -24.986 7.925 1.00 70.50 H new ATOM 0 HA2 GLY A 93 -2.820 -23.419 9.894 1.00 62.01 H new ATOM 0 HA3 GLY A 93 -2.809 -23.067 8.177 1.00 62.01 H new ATOM 1395 N ASP A 94 -5.053 -24.370 8.533 1.00 0.43 N ATOM 1396 CA ASP A 94 -6.212 -25.229 8.321 1.00 13.51 C ATOM 1397 C ASP A 94 -7.074 -24.706 7.176 1.00 45.24 C ATOM 1398 O ASP A 94 -7.943 -23.859 7.376 1.00 42.44 O ATOM 1399 CB ASP A 94 -7.045 -25.322 9.600 1.00 33.24 C ATOM 1400 CG ASP A 94 -7.446 -23.960 10.131 1.00 13.12 C ATOM 1401 OD1 ASP A 94 -6.548 -23.192 10.535 1.00 44.12 O ATOM 1402 OD2 ASP A 94 -8.659 -23.661 10.142 1.00 24.22 O ATOM 0 H ASP A 94 -5.264 -23.372 8.545 1.00 0.43 H new ATOM 0 HA ASP A 94 -5.852 -26.224 8.057 1.00 13.51 H new ATOM 0 HB2 ASP A 94 -7.941 -25.910 9.404 1.00 33.24 H new ATOM 0 HB3 ASP A 94 -6.476 -25.853 10.363 1.00 33.24 H new ATOM 1407 N GLY A 95 -6.824 -25.217 5.974 1.00 54.25 N ATOM 1408 CA GLY A 95 -7.584 -24.789 4.814 1.00 53.24 C ATOM 1409 C GLY A 95 -7.383 -23.320 4.498 1.00 12.25 C ATOM 1410 O GLY A 95 -8.317 -22.632 4.084 1.00 64.32 O ATOM 0 H GLY A 95 -6.109 -25.919 5.783 1.00 54.25 H new ATOM 0 HA2 GLY A 95 -7.291 -25.386 3.951 1.00 53.24 H new ATOM 0 HA3 GLY A 95 -8.643 -24.978 4.988 1.00 53.24 H new ATOM 1414 N LYS A 96 -6.162 -22.836 4.697 1.00 41.33 N ATOM 1415 CA LYS A 96 -5.840 -21.439 4.432 1.00 42.43 C ATOM 1416 C LYS A 96 -4.346 -21.183 4.601 1.00 24.03 C ATOM 1417 O LYS A 96 -3.603 -22.059 5.046 1.00 14.03 O ATOM 1418 CB LYS A 96 -6.634 -20.524 5.367 1.00 22.35 C ATOM 1419 CG LYS A 96 -6.344 -20.762 6.840 1.00 54.45 C ATOM 1420 CD LYS A 96 -7.409 -20.135 7.725 1.00 24.51 C ATOM 1421 CE LYS A 96 -8.610 -21.054 7.887 1.00 11.00 C ATOM 1422 NZ LYS A 96 -9.864 -20.289 8.132 1.00 71.01 N ATOM 0 H LYS A 96 -5.379 -23.391 5.041 1.00 41.33 H new ATOM 0 HA LYS A 96 -6.114 -21.219 3.400 1.00 42.43 H new ATOM 0 HB2 LYS A 96 -6.409 -19.486 5.124 1.00 22.35 H new ATOM 0 HB3 LYS A 96 -7.699 -20.670 5.187 1.00 22.35 H new ATOM 0 HG2 LYS A 96 -6.293 -21.833 7.034 1.00 54.45 H new ATOM 0 HG3 LYS A 96 -5.369 -20.346 7.092 1.00 54.45 H new ATOM 0 HD2 LYS A 96 -6.985 -19.912 8.704 1.00 24.51 H new ATOM 0 HD3 LYS A 96 -7.730 -19.187 7.294 1.00 24.51 H new ATOM 0 HE2 LYS A 96 -8.725 -21.663 6.990 1.00 11.00 H new ATOM 0 HE3 LYS A 96 -8.434 -21.739 8.717 1.00 11.00 H new ATOM 0 HZ1 LYS A 96 -10.285 -20.592 9.034 1.00 71.01 H new ATOM 0 HZ2 LYS A 96 -9.648 -19.273 8.175 1.00 71.01 H new ATOM 0 HZ3 LYS A 96 -10.536 -20.468 7.359 1.00 71.01 H new ATOM 1436 N ILE A 97 -3.912 -19.979 4.245 1.00 1.44 N ATOM 1437 CA ILE A 97 -2.507 -19.608 4.361 1.00 21.11 C ATOM 1438 C ILE A 97 -2.346 -18.287 5.105 1.00 52.42 C ATOM 1439 O ILE A 97 -3.170 -17.383 4.972 1.00 75.05 O ATOM 1440 CB ILE A 97 -1.840 -19.490 2.978 1.00 60.31 C ATOM 1441 CG1 ILE A 97 -1.848 -20.845 2.267 1.00 63.02 C ATOM 1442 CG2 ILE A 97 -0.418 -18.968 3.118 1.00 11.33 C ATOM 1443 CD1 ILE A 97 -1.208 -20.812 0.897 1.00 44.14 C ATOM 0 H ILE A 97 -4.513 -19.243 3.874 1.00 1.44 H new ATOM 0 HA ILE A 97 -2.017 -20.402 4.925 1.00 21.11 H new ATOM 0 HB ILE A 97 -2.409 -18.781 2.376 1.00 60.31 H new ATOM 0 HG12 ILE A 97 -1.325 -21.574 2.886 1.00 63.02 H new ATOM 0 HG13 ILE A 97 -2.878 -21.189 2.170 1.00 63.02 H new ATOM 0 HG21 ILE A 97 0.040 -18.890 2.132 1.00 11.33 H new ATOM 0 HG22 ILE A 97 -0.436 -17.985 3.588 1.00 11.33 H new ATOM 0 HG23 ILE A 97 0.163 -19.654 3.734 1.00 11.33 H new ATOM 0 HD11 ILE A 97 -1.249 -21.806 0.452 1.00 44.14 H new ATOM 0 HD12 ILE A 97 -1.745 -20.108 0.262 1.00 44.14 H new ATOM 0 HD13 ILE A 97 -0.168 -20.498 0.989 1.00 44.14 H new ATOM 1455 N GLY A 98 -1.277 -18.180 5.888 1.00 61.41 N ATOM 1456 CA GLY A 98 -1.026 -16.965 6.640 1.00 30.01 C ATOM 1457 C GLY A 98 0.272 -16.292 6.239 1.00 74.22 C ATOM 1458 O GLY A 98 0.447 -15.904 5.084 1.00 51.12 O ATOM 0 H GLY A 98 -0.580 -18.914 6.015 1.00 61.41 H new ATOM 0 HA2 GLY A 98 -1.853 -16.271 6.490 1.00 30.01 H new ATOM 0 HA3 GLY A 98 -0.996 -17.200 7.704 1.00 30.01 H new ATOM 1462 N VAL A 99 1.184 -16.152 7.195 1.00 2.22 N ATOM 1463 CA VAL A 99 2.473 -15.521 6.936 1.00 54.52 C ATOM 1464 C VAL A 99 3.606 -16.538 7.003 1.00 43.43 C ATOM 1465 O VAL A 99 4.361 -16.704 6.045 1.00 53.00 O ATOM 1466 CB VAL A 99 2.754 -14.387 7.940 1.00 64.12 C ATOM 1467 CG1 VAL A 99 2.647 -13.031 7.259 1.00 61.22 C ATOM 1468 CG2 VAL A 99 1.803 -14.475 9.123 1.00 33.33 C ATOM 0 H VAL A 99 1.054 -16.467 8.156 1.00 2.22 H new ATOM 0 HA VAL A 99 2.425 -15.102 5.931 1.00 54.52 H new ATOM 0 HB VAL A 99 3.772 -14.500 8.313 1.00 64.12 H new ATOM 0 HG11 VAL A 99 2.849 -12.243 7.984 1.00 61.22 H new ATOM 0 HG12 VAL A 99 3.373 -12.973 6.448 1.00 61.22 H new ATOM 0 HG13 VAL A 99 1.642 -12.905 6.856 1.00 61.22 H new ATOM 0 HG21 VAL A 99 2.016 -13.666 9.822 1.00 33.33 H new ATOM 0 HG22 VAL A 99 0.775 -14.389 8.771 1.00 33.33 H new ATOM 0 HG23 VAL A 99 1.935 -15.433 9.626 1.00 33.33 H new ATOM 1478 N GLU A 100 3.719 -17.216 8.141 1.00 43.44 N ATOM 1479 CA GLU A 100 4.762 -18.217 8.332 1.00 1.20 C ATOM 1480 C GLU A 100 4.693 -19.289 7.248 1.00 51.51 C ATOM 1481 O GLU A 100 5.704 -19.896 6.897 1.00 52.14 O ATOM 1482 CB GLU A 100 4.632 -18.863 9.713 1.00 70.33 C ATOM 1483 CG GLU A 100 5.758 -18.497 10.665 1.00 62.43 C ATOM 1484 CD GLU A 100 5.942 -19.518 11.771 1.00 70.11 C ATOM 1485 OE1 GLU A 100 5.492 -20.670 11.595 1.00 11.22 O ATOM 1486 OE2 GLU A 100 6.535 -19.166 12.812 1.00 41.23 O ATOM 0 H GLU A 100 3.102 -17.090 8.943 1.00 43.44 H new ATOM 0 HA GLU A 100 5.728 -17.716 8.262 1.00 1.20 H new ATOM 0 HB2 GLU A 100 3.682 -18.565 10.156 1.00 70.33 H new ATOM 0 HB3 GLU A 100 4.604 -19.946 9.597 1.00 70.33 H new ATOM 0 HG2 GLU A 100 6.688 -18.404 10.103 1.00 62.43 H new ATOM 0 HG3 GLU A 100 5.553 -17.522 11.106 1.00 62.43 H new ATOM 1493 N GLU A 101 3.493 -19.515 6.723 1.00 14.41 N ATOM 1494 CA GLU A 101 3.291 -20.514 5.680 1.00 4.14 C ATOM 1495 C GLU A 101 3.434 -19.890 4.295 1.00 75.52 C ATOM 1496 O GLU A 101 3.530 -20.597 3.291 1.00 45.20 O ATOM 1497 CB GLU A 101 1.912 -21.160 5.822 1.00 72.22 C ATOM 1498 CG GLU A 101 1.599 -21.625 7.234 1.00 23.22 C ATOM 1499 CD GLU A 101 0.145 -22.015 7.412 1.00 54.42 C ATOM 1500 OE1 GLU A 101 -0.304 -22.959 6.728 1.00 2.23 O ATOM 1501 OE2 GLU A 101 -0.545 -21.376 8.233 1.00 12.44 O ATOM 0 H GLU A 101 2.646 -19.020 7.003 1.00 14.41 H new ATOM 0 HA GLU A 101 4.056 -21.282 5.794 1.00 4.14 H new ATOM 0 HB2 GLU A 101 1.151 -20.445 5.507 1.00 72.22 H new ATOM 0 HB3 GLU A 101 1.848 -22.012 5.146 1.00 72.22 H new ATOM 0 HG2 GLU A 101 2.232 -22.477 7.480 1.00 23.22 H new ATOM 0 HG3 GLU A 101 1.847 -20.830 7.937 1.00 23.22 H new ATOM 1508 N PHE A 102 3.444 -18.562 4.248 1.00 25.43 N ATOM 1509 CA PHE A 102 3.573 -17.843 2.987 1.00 50.35 C ATOM 1510 C PHE A 102 5.037 -17.730 2.571 1.00 31.31 C ATOM 1511 O PHE A 102 5.438 -18.249 1.530 1.00 24.51 O ATOM 1512 CB PHE A 102 2.956 -16.447 3.106 1.00 64.42 C ATOM 1513 CG PHE A 102 2.925 -15.693 1.808 1.00 42.25 C ATOM 1514 CD1 PHE A 102 1.953 -15.961 0.858 1.00 34.50 C ATOM 1515 CD2 PHE A 102 3.869 -14.715 1.536 1.00 31.24 C ATOM 1516 CE1 PHE A 102 1.921 -15.269 -0.338 1.00 12.33 C ATOM 1517 CE2 PHE A 102 3.842 -14.019 0.343 1.00 51.12 C ATOM 1518 CZ PHE A 102 2.867 -14.297 -0.596 1.00 4.22 C ATOM 0 H PHE A 102 3.364 -17.962 5.069 1.00 25.43 H new ATOM 0 HA PHE A 102 3.039 -18.406 2.221 1.00 50.35 H new ATOM 0 HB2 PHE A 102 1.939 -16.539 3.488 1.00 64.42 H new ATOM 0 HB3 PHE A 102 3.520 -15.870 3.839 1.00 64.42 H new ATOM 0 HD1 PHE A 102 1.211 -16.720 1.054 1.00 34.50 H new ATOM 0 HD2 PHE A 102 4.635 -14.495 2.265 1.00 31.24 H new ATOM 0 HE1 PHE A 102 1.157 -15.488 -1.070 1.00 12.33 H new ATOM 0 HE2 PHE A 102 4.582 -13.258 0.144 1.00 51.12 H new ATOM 0 HZ PHE A 102 2.845 -13.755 -1.530 1.00 4.22 H new ATOM 1528 N GLN A 103 5.828 -17.048 3.393 1.00 62.22 N ATOM 1529 CA GLN A 103 7.247 -16.866 3.110 1.00 21.42 C ATOM 1530 C GLN A 103 7.930 -18.208 2.869 1.00 64.32 C ATOM 1531 O GLN A 103 8.799 -18.327 2.005 1.00 61.02 O ATOM 1532 CB GLN A 103 7.929 -16.134 4.267 1.00 63.00 C ATOM 1533 CG GLN A 103 7.689 -16.780 5.622 1.00 65.10 C ATOM 1534 CD GLN A 103 8.457 -16.099 6.737 1.00 3.15 C ATOM 1535 OE1 GLN A 103 9.240 -16.733 7.446 1.00 70.35 O ATOM 1536 NE2 GLN A 103 8.237 -14.799 6.900 1.00 24.52 N ATOM 0 H GLN A 103 5.511 -16.613 4.259 1.00 62.22 H new ATOM 0 HA GLN A 103 7.338 -16.265 2.205 1.00 21.42 H new ATOM 0 HB2 GLN A 103 9.002 -16.093 4.078 1.00 63.00 H new ATOM 0 HB3 GLN A 103 7.571 -15.105 4.296 1.00 63.00 H new ATOM 0 HG2 GLN A 103 6.623 -16.752 5.850 1.00 65.10 H new ATOM 0 HG3 GLN A 103 7.978 -17.830 5.576 1.00 65.10 H new ATOM 0 HE21 GLN A 103 7.580 -14.313 6.290 1.00 24.52 H new ATOM 0 HE22 GLN A 103 8.725 -14.287 7.635 1.00 24.52 H new ATOM 1545 N SER A 104 7.532 -19.216 3.638 1.00 24.41 N ATOM 1546 CA SER A 104 8.110 -20.549 3.511 1.00 75.53 C ATOM 1547 C SER A 104 7.926 -21.088 2.095 1.00 40.21 C ATOM 1548 O SER A 104 8.636 -21.999 1.668 1.00 61.14 O ATOM 1549 CB SER A 104 7.468 -21.505 4.519 1.00 52.32 C ATOM 1550 OG SER A 104 8.148 -22.747 4.548 1.00 23.34 O ATOM 0 H SER A 104 6.812 -19.135 4.356 1.00 24.41 H new ATOM 0 HA SER A 104 9.178 -20.476 3.719 1.00 75.53 H new ATOM 0 HB2 SER A 104 7.483 -21.055 5.512 1.00 52.32 H new ATOM 0 HB3 SER A 104 6.422 -21.665 4.258 1.00 52.32 H new ATOM 0 HG SER A 104 7.720 -23.339 5.201 1.00 23.34 H new ATOM 1556 N LEU A 105 6.969 -20.518 1.372 1.00 55.22 N ATOM 1557 CA LEU A 105 6.690 -20.939 0.003 1.00 31.12 C ATOM 1558 C LEU A 105 7.388 -20.027 -1.000 1.00 43.02 C ATOM 1559 O LEU A 105 7.985 -20.495 -1.970 1.00 3.12 O ATOM 1560 CB LEU A 105 5.182 -20.940 -0.254 1.00 40.42 C ATOM 1561 CG LEU A 105 4.749 -21.132 -1.708 1.00 44.22 C ATOM 1562 CD1 LEU A 105 3.413 -21.854 -1.776 1.00 54.34 C ATOM 1563 CD2 LEU A 105 4.670 -19.791 -2.423 1.00 5.31 C ATOM 0 H LEU A 105 6.373 -19.763 1.711 1.00 55.22 H new ATOM 0 HA LEU A 105 7.075 -21.951 -0.125 1.00 31.12 H new ATOM 0 HB2 LEU A 105 4.732 -21.731 0.346 1.00 40.42 H new ATOM 0 HB3 LEU A 105 4.772 -19.996 0.105 1.00 40.42 H new ATOM 0 HG LEU A 105 5.496 -21.746 -2.211 1.00 44.22 H new ATOM 0 HD11 LEU A 105 3.121 -21.982 -2.818 1.00 54.34 H new ATOM 0 HD12 LEU A 105 3.503 -22.831 -1.302 1.00 54.34 H new ATOM 0 HD13 LEU A 105 2.656 -21.267 -1.256 1.00 54.34 H new ATOM 0 HD21 LEU A 105 4.360 -19.947 -3.456 1.00 5.31 H new ATOM 0 HD22 LEU A 105 3.944 -19.152 -1.919 1.00 5.31 H new ATOM 0 HD23 LEU A 105 5.649 -19.311 -2.406 1.00 5.31 H new ATOM 1575 N VAL A 106 7.311 -18.722 -0.759 1.00 41.15 N ATOM 1576 CA VAL A 106 7.939 -17.744 -1.640 1.00 15.31 C ATOM 1577 C VAL A 106 9.442 -17.979 -1.740 1.00 55.30 C ATOM 1578 O VAL A 106 10.013 -17.962 -2.831 1.00 12.14 O ATOM 1579 CB VAL A 106 7.686 -16.305 -1.151 1.00 24.13 C ATOM 1580 CG1 VAL A 106 8.261 -15.298 -2.135 1.00 4.23 C ATOM 1581 CG2 VAL A 106 6.199 -16.068 -0.940 1.00 13.40 C ATOM 0 H VAL A 106 6.820 -18.318 0.039 1.00 41.15 H new ATOM 0 HA VAL A 106 7.489 -17.870 -2.625 1.00 15.31 H new ATOM 0 HB VAL A 106 8.191 -16.171 -0.194 1.00 24.13 H new ATOM 0 HG11 VAL A 106 8.073 -14.287 -1.773 1.00 4.23 H new ATOM 0 HG12 VAL A 106 9.335 -15.455 -2.230 1.00 4.23 H new ATOM 0 HG13 VAL A 106 7.788 -15.429 -3.108 1.00 4.23 H new ATOM 0 HG21 VAL A 106 6.039 -15.047 -0.595 1.00 13.40 H new ATOM 0 HG22 VAL A 106 5.669 -16.220 -1.880 1.00 13.40 H new ATOM 0 HG23 VAL A 106 5.822 -16.767 -0.194 1.00 13.40 H new ATOM 1591 N LYS A 107 10.078 -18.198 -0.595 1.00 31.45 N ATOM 1592 CA LYS A 107 11.515 -18.439 -0.551 1.00 64.13 C ATOM 1593 C LYS A 107 11.877 -19.714 -1.308 1.00 14.54 C ATOM 1594 O LYS A 107 13.038 -19.936 -1.648 1.00 51.04 O ATOM 1595 CB LYS A 107 11.993 -18.541 0.899 1.00 33.41 C ATOM 1596 CG LYS A 107 11.822 -17.255 1.688 1.00 15.20 C ATOM 1597 CD LYS A 107 13.023 -16.982 2.577 1.00 44.53 C ATOM 1598 CE LYS A 107 13.101 -17.971 3.729 1.00 61.30 C ATOM 1599 NZ LYS A 107 12.507 -17.417 4.977 1.00 22.31 N ATOM 0 H LYS A 107 9.620 -18.214 0.316 1.00 31.45 H new ATOM 0 HA LYS A 107 12.013 -17.598 -1.032 1.00 64.13 H new ATOM 0 HB2 LYS A 107 11.444 -19.339 1.398 1.00 33.41 H new ATOM 0 HB3 LYS A 107 13.045 -18.825 0.907 1.00 33.41 H new ATOM 0 HG2 LYS A 107 11.680 -16.421 1.000 1.00 15.20 H new ATOM 0 HG3 LYS A 107 10.922 -17.320 2.300 1.00 15.20 H new ATOM 0 HD2 LYS A 107 13.936 -17.040 1.984 1.00 44.53 H new ATOM 0 HD3 LYS A 107 12.962 -15.967 2.971 1.00 44.53 H new ATOM 0 HE2 LYS A 107 12.581 -18.889 3.455 1.00 61.30 H new ATOM 0 HE3 LYS A 107 14.143 -18.237 3.909 1.00 61.30 H new ATOM 0 HZ1 LYS A 107 13.258 -17.262 5.680 1.00 22.31 H new ATOM 0 HZ2 LYS A 107 12.038 -16.513 4.767 1.00 22.31 H new ATOM 0 HZ3 LYS A 107 11.810 -18.089 5.358 1.00 22.31 H new ATOM 1613 N ALA A 108 10.874 -20.546 -1.568 1.00 30.12 N ATOM 1614 CA ALA A 108 11.086 -21.796 -2.287 1.00 21.11 C ATOM 1615 C ALA A 108 10.916 -21.601 -3.790 1.00 3.44 C ATOM 1616 O ALA A 108 10.408 -22.480 -4.486 1.00 51.02 O ATOM 1617 CB ALA A 108 10.129 -22.865 -1.780 1.00 63.34 C ATOM 0 H ALA A 108 9.907 -20.377 -1.292 1.00 30.12 H new ATOM 0 HA ALA A 108 12.109 -22.123 -2.103 1.00 21.11 H new ATOM 0 HB1 ALA A 108 10.298 -23.793 -2.326 1.00 63.34 H new ATOM 0 HB2 ALA A 108 10.301 -23.033 -0.717 1.00 63.34 H new ATOM 0 HB3 ALA A 108 9.101 -22.536 -1.934 1.00 63.34 H new TER 1623 ALA A 108