USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -22.3! C(o=-27!,f=-24!) USER MOD Set 1.2: A 58 TYR OH : rot 0:sc= -5.01! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.1) USER MOD Single : A 19 SER OG : rot 42:sc= 0.715 USER MOD Single : A 21 GLN : amide:sc= 0.0164 K(o=0.016,f=-3.6!) USER MOD Single : A 26 HIS : no HD1:sc= -14.5! C(o=-15!,f=-12!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -91:sc= 1.68 USER MOD Single : A 44 SER OG : rot 29:sc= 0.479 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 64 TYR OH : rot 4:sc= 0.434 USER MOD Single : A 65 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.46) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 107:sc= -1.47 USER MOD Single : A 84 GLN : amide:sc= -0.353 K(o=-0.35,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.492 9.907 -9.441 1.00 0.00 N ATOM 2 CA ALA A 8 -4.613 9.568 -10.594 1.00 0.00 C ATOM 3 C ALA A 8 -5.117 8.286 -11.250 1.00 0.00 C ATOM 4 O ALA A 8 -6.070 7.681 -10.802 1.00 0.00 O ATOM 5 CB ALA A 8 -3.188 9.363 -10.089 1.00 0.00 C ATOM 0 HA ALA A 8 -4.627 10.376 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.537 9.114 -10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.835 10.279 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.173 8.549 -9.364 1.00 0.00 H new ATOM 11 N THR A 9 -4.480 7.863 -12.301 1.00 0.00 N ATOM 12 CA THR A 9 -4.913 6.620 -12.982 1.00 0.00 C ATOM 13 C THR A 9 -4.166 5.456 -12.358 1.00 0.00 C ATOM 14 O THR A 9 -3.005 5.573 -11.995 1.00 0.00 O ATOM 15 CB THR A 9 -4.612 6.708 -14.476 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.678 6.118 -15.206 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.310 5.972 -14.797 1.00 0.00 C ATOM 0 H THR A 9 -3.674 8.328 -12.719 1.00 0.00 H new ATOM 0 HA THR A 9 -5.987 6.479 -12.864 1.00 0.00 H new ATOM 0 HB THR A 9 -4.506 7.756 -14.756 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.488 6.175 -16.166 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.106 6.042 -15.866 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.489 6.425 -14.241 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.405 4.924 -14.514 1.00 0.00 H new ATOM 25 N LEU A 10 -4.842 4.352 -12.206 1.00 0.00 N ATOM 26 CA LEU A 10 -4.228 3.157 -11.572 1.00 0.00 C ATOM 27 C LEU A 10 -3.719 2.203 -12.651 1.00 0.00 C ATOM 28 O LEU A 10 -4.462 1.390 -13.163 1.00 0.00 O ATOM 29 CB LEU A 10 -5.299 2.429 -10.748 1.00 0.00 C ATOM 30 CG LEU A 10 -5.732 3.280 -9.549 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.327 4.611 -10.022 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.787 2.515 -8.747 1.00 0.00 C ATOM 0 H LEU A 10 -5.811 4.227 -12.500 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.400 3.471 -10.937 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.163 2.211 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.909 1.473 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.860 3.485 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.629 5.202 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.580 5.161 -10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.196 4.418 -10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.100 3.115 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.649 2.311 -9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.365 1.574 -8.395 1.00 0.00 H new ATOM 44 N VAL A 11 -2.466 2.277 -13.000 1.00 0.00 N ATOM 45 CA VAL A 11 -1.949 1.349 -14.040 1.00 0.00 C ATOM 46 C VAL A 11 -1.091 0.273 -13.372 1.00 0.00 C ATOM 47 O VAL A 11 -0.086 0.560 -12.763 1.00 0.00 O ATOM 48 CB VAL A 11 -1.113 2.125 -15.056 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.652 1.169 -16.160 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.971 3.231 -15.676 1.00 0.00 C ATOM 0 H VAL A 11 -1.785 2.932 -12.615 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.785 0.878 -14.558 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.247 2.565 -14.561 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.054 1.716 -16.889 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.051 0.372 -15.723 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.522 0.738 -16.655 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.378 3.788 -16.402 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.832 2.787 -16.175 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.314 3.907 -14.893 1.00 0.00 H new ATOM 60 N GLY A 12 -1.484 -0.967 -13.481 1.00 0.00 N ATOM 61 CA GLY A 12 -0.689 -2.065 -12.854 1.00 0.00 C ATOM 62 C GLY A 12 -0.311 -3.087 -13.931 1.00 0.00 C ATOM 63 O GLY A 12 -0.849 -4.177 -13.969 1.00 0.00 O ATOM 0 H GLY A 12 -2.322 -1.269 -13.978 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.209 -1.660 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.268 -2.546 -12.066 1.00 0.00 H new ATOM 67 N PRO A 13 0.592 -2.687 -14.789 1.00 0.00 N ATOM 68 CA PRO A 13 1.067 -3.524 -15.912 1.00 0.00 C ATOM 69 C PRO A 13 1.978 -4.681 -15.472 1.00 0.00 C ATOM 70 O PRO A 13 2.704 -4.600 -14.487 1.00 0.00 O ATOM 71 CB PRO A 13 1.846 -2.540 -16.788 1.00 0.00 C ATOM 72 CG PRO A 13 2.248 -1.367 -15.867 1.00 0.00 C ATOM 73 CD PRO A 13 1.221 -1.352 -14.724 1.00 0.00 C ATOM 0 HA PRO A 13 0.233 -4.011 -16.418 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.727 -3.016 -17.219 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.234 -2.190 -17.619 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.258 -1.503 -15.481 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.239 -0.423 -16.412 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.700 -1.183 -13.760 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.486 -0.558 -14.858 1.00 0.00 H new ATOM 81 N HIS A 14 1.928 -5.742 -16.257 1.00 0.00 N ATOM 82 CA HIS A 14 2.749 -6.980 -16.043 1.00 0.00 C ATOM 83 C HIS A 14 1.921 -8.187 -16.485 1.00 0.00 C ATOM 84 O HIS A 14 0.791 -8.049 -16.910 1.00 0.00 O ATOM 85 CB HIS A 14 3.170 -7.161 -14.582 1.00 0.00 C ATOM 86 CG HIS A 14 4.649 -6.897 -14.482 1.00 0.00 C ATOM 87 ND1 HIS A 14 5.508 -7.745 -13.806 1.00 0.00 N ATOM 88 CD2 HIS A 14 5.438 -5.895 -14.996 1.00 0.00 C ATOM 89 CE1 HIS A 14 6.752 -7.245 -13.930 1.00 0.00 C ATOM 90 NE2 HIS A 14 6.765 -6.117 -14.645 1.00 0.00 N ATOM 0 H HIS A 14 1.320 -5.796 -17.075 1.00 0.00 H new ATOM 0 HA HIS A 14 3.663 -6.887 -16.630 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.617 -6.476 -13.940 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.940 -8.171 -14.243 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.081 -5.062 -15.583 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.633 -7.701 -13.503 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.574 -5.542 -14.882 1.00 0.00 H new ATOM 98 N GLY A 15 2.468 -9.367 -16.396 1.00 0.00 N ATOM 99 CA GLY A 15 1.703 -10.577 -16.821 1.00 0.00 C ATOM 100 C GLY A 15 0.767 -11.009 -15.691 1.00 0.00 C ATOM 101 O GLY A 15 0.236 -10.181 -14.977 1.00 0.00 O ATOM 0 H GLY A 15 3.410 -9.548 -16.048 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.128 -10.360 -17.721 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.390 -11.386 -17.069 1.00 0.00 H new ATOM 105 N PRO A 16 0.599 -12.298 -15.558 1.00 0.00 N ATOM 106 CA PRO A 16 -0.263 -12.875 -14.516 1.00 0.00 C ATOM 107 C PRO A 16 0.450 -12.807 -13.170 1.00 0.00 C ATOM 108 O PRO A 16 1.663 -12.832 -13.100 1.00 0.00 O ATOM 109 CB PRO A 16 -0.459 -14.324 -14.966 1.00 0.00 C ATOM 110 CG PRO A 16 0.724 -14.651 -15.906 1.00 0.00 C ATOM 111 CD PRO A 16 1.257 -13.300 -16.424 1.00 0.00 C ATOM 0 HA PRO A 16 -1.212 -12.352 -14.393 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.473 -14.998 -14.110 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.411 -14.445 -15.483 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.503 -15.197 -15.374 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.400 -15.283 -16.733 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.343 -13.243 -16.346 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.005 -13.148 -17.473 1.00 0.00 H new ATOM 119 N LEU A 17 -0.281 -12.712 -12.100 1.00 0.00 N ATOM 120 CA LEU A 17 0.377 -12.634 -10.773 1.00 0.00 C ATOM 121 C LEU A 17 0.302 -13.990 -10.080 1.00 0.00 C ATOM 122 O LEU A 17 -0.549 -14.234 -9.247 1.00 0.00 O ATOM 123 CB LEU A 17 -0.311 -11.570 -9.919 1.00 0.00 C ATOM 124 CG LEU A 17 0.186 -10.186 -10.344 1.00 0.00 C ATOM 125 CD1 LEU A 17 -0.378 -9.126 -9.398 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.716 -10.155 -10.288 1.00 0.00 C ATOM 0 H LEU A 17 -1.301 -12.685 -12.087 1.00 0.00 H new ATOM 0 HA LEU A 17 1.424 -12.361 -10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.393 -11.634 -10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.096 -11.739 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.147 -9.978 -11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.023 -8.141 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.467 -9.147 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.046 -9.333 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.071 -9.170 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.047 -10.364 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.120 -10.909 -10.963 1.00 0.00 H new ATOM 138 N ALA A 18 1.200 -14.871 -10.409 1.00 0.00 N ATOM 139 CA ALA A 18 1.198 -16.204 -9.757 1.00 0.00 C ATOM 140 C ALA A 18 1.753 -16.038 -8.346 1.00 0.00 C ATOM 141 O ALA A 18 2.337 -15.024 -8.022 1.00 0.00 O ATOM 142 CB ALA A 18 2.085 -17.168 -10.545 1.00 0.00 C ATOM 0 H ALA A 18 1.935 -14.725 -11.101 1.00 0.00 H new ATOM 0 HA ALA A 18 0.186 -16.607 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.080 -18.145 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.704 -17.264 -11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.104 -16.783 -10.574 1.00 0.00 H new ATOM 148 N SER A 19 1.578 -17.011 -7.500 1.00 0.00 N ATOM 149 CA SER A 19 2.105 -16.881 -6.116 1.00 0.00 C ATOM 150 C SER A 19 3.619 -16.654 -6.173 1.00 0.00 C ATOM 151 O SER A 19 4.369 -17.514 -6.589 1.00 0.00 O ATOM 152 CB SER A 19 1.810 -18.153 -5.327 1.00 0.00 C ATOM 153 OG SER A 19 2.528 -18.110 -4.102 1.00 0.00 O ATOM 0 H SER A 19 1.096 -17.886 -7.705 1.00 0.00 H new ATOM 0 HA SER A 19 1.624 -16.036 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.740 -18.238 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.101 -19.031 -5.904 1.00 0.00 H new ATOM 0 HG SER A 19 2.479 -17.206 -3.726 1.00 0.00 H new ATOM 159 N GLY A 20 4.069 -15.502 -5.761 1.00 0.00 N ATOM 160 CA GLY A 20 5.531 -15.212 -5.795 1.00 0.00 C ATOM 161 C GLY A 20 5.865 -14.437 -7.070 1.00 0.00 C ATOM 162 O GLY A 20 6.830 -14.728 -7.749 1.00 0.00 O ATOM 0 H GLY A 20 3.486 -14.746 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.819 -14.632 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.098 -16.142 -5.762 1.00 0.00 H new ATOM 166 N GLN A 21 5.068 -13.457 -7.406 1.00 0.00 N ATOM 167 CA GLN A 21 5.338 -12.671 -8.648 1.00 0.00 C ATOM 168 C GLN A 21 5.540 -11.186 -8.322 1.00 0.00 C ATOM 169 O GLN A 21 5.062 -10.678 -7.321 1.00 0.00 O ATOM 170 CB GLN A 21 4.159 -12.820 -9.608 1.00 0.00 C ATOM 171 CG GLN A 21 4.566 -13.730 -10.769 1.00 0.00 C ATOM 172 CD GLN A 21 4.938 -12.873 -11.980 1.00 0.00 C ATOM 173 OE1 GLN A 21 5.569 -11.845 -11.841 1.00 0.00 O ATOM 174 NE2 GLN A 21 4.571 -13.257 -13.172 1.00 0.00 N ATOM 0 H GLN A 21 4.245 -13.167 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 21 6.249 -13.054 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.300 -13.240 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.856 -11.843 -9.985 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.411 -14.354 -10.478 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.746 -14.402 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.041 -14.121 -13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.814 -12.694 -13.987 1.00 0.00 H new ATOM 183 N LEU A 22 6.249 -10.492 -9.178 1.00 0.00 N ATOM 184 CA LEU A 22 6.510 -9.038 -8.968 1.00 0.00 C ATOM 185 C LEU A 22 5.773 -8.236 -10.046 1.00 0.00 C ATOM 186 O LEU A 22 6.259 -8.077 -11.145 1.00 0.00 O ATOM 187 CB LEU A 22 8.025 -8.792 -9.087 1.00 0.00 C ATOM 188 CG LEU A 22 8.412 -7.388 -8.583 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.898 -6.309 -9.543 1.00 0.00 C ATOM 190 CD2 LEU A 22 7.821 -7.147 -7.193 1.00 0.00 C ATOM 0 H LEU A 22 6.663 -10.880 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 22 6.159 -8.727 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.563 -9.547 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.332 -8.904 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 22 9.499 -7.333 -8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.181 -5.325 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.335 -6.462 -10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.812 -6.372 -9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.101 -6.152 -6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.735 -7.223 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.206 -7.894 -6.499 1.00 0.00 H new ATOM 202 N ALA A 23 4.614 -7.716 -9.741 1.00 0.00 N ATOM 203 CA ALA A 23 3.874 -6.910 -10.759 1.00 0.00 C ATOM 204 C ALA A 23 4.487 -5.515 -10.794 1.00 0.00 C ATOM 205 O ALA A 23 5.096 -5.091 -9.838 1.00 0.00 O ATOM 206 CB ALA A 23 2.400 -6.794 -10.365 1.00 0.00 C ATOM 0 H ALA A 23 4.149 -7.813 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 23 3.944 -7.391 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.869 -6.205 -11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.959 -7.789 -10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.320 -6.305 -9.394 1.00 0.00 H new ATOM 212 N ALA A 24 4.336 -4.781 -11.861 1.00 0.00 N ATOM 213 CA ALA A 24 4.930 -3.420 -11.869 1.00 0.00 C ATOM 214 C ALA A 24 3.805 -2.412 -12.064 1.00 0.00 C ATOM 215 O ALA A 24 3.074 -2.472 -13.022 1.00 0.00 O ATOM 216 CB ALA A 24 5.970 -3.322 -12.981 1.00 0.00 C ATOM 0 H ALA A 24 3.839 -5.057 -12.708 1.00 0.00 H new ATOM 0 HA ALA A 24 5.436 -3.209 -10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.405 -2.323 -12.985 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.755 -4.059 -12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.494 -3.515 -13.942 1.00 0.00 H new ATOM 222 N PHE A 25 3.633 -1.524 -11.127 1.00 0.00 N ATOM 223 CA PHE A 25 2.516 -0.543 -11.211 1.00 0.00 C ATOM 224 C PHE A 25 3.020 0.852 -11.597 1.00 0.00 C ATOM 225 O PHE A 25 4.204 1.116 -11.651 1.00 0.00 O ATOM 226 CB PHE A 25 1.864 -0.430 -9.834 1.00 0.00 C ATOM 227 CG PHE A 25 1.143 -1.703 -9.449 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.823 -2.933 -9.390 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.213 -1.640 -9.115 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.134 -4.088 -9.004 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.895 -2.797 -8.728 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.222 -4.019 -8.670 1.00 0.00 C ATOM 0 H PHE A 25 4.223 -1.435 -10.300 1.00 0.00 H new ATOM 0 HA PHE A 25 1.815 -0.892 -11.969 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.626 -0.204 -9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.160 0.402 -9.832 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.872 -2.986 -9.641 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.735 -0.695 -9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.651 -5.035 -8.964 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.943 -2.746 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.749 -4.912 -8.367 1.00 0.00 H new ATOM 242 N HIS A 26 2.098 1.753 -11.824 1.00 0.00 N ATOM 243 CA HIS A 26 2.450 3.156 -12.165 1.00 0.00 C ATOM 244 C HIS A 26 1.173 4.005 -12.076 1.00 0.00 C ATOM 245 O HIS A 26 0.099 3.579 -12.462 1.00 0.00 O ATOM 246 CB HIS A 26 3.099 3.224 -13.562 1.00 0.00 C ATOM 247 CG HIS A 26 2.119 3.650 -14.620 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.895 2.897 -15.761 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.342 4.768 -14.755 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.017 3.571 -16.525 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.648 4.721 -15.958 1.00 0.00 N ATOM 0 H HIS A 26 1.096 1.566 -11.785 1.00 0.00 H new ATOM 0 HA HIS A 26 3.185 3.550 -11.463 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.935 3.924 -13.540 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.508 2.247 -13.819 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.278 5.569 -14.033 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.655 3.224 -17.481 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.002 5.415 -16.327 1.00 0.00 H new ATOM 259 N ILE A 27 1.280 5.188 -11.529 1.00 0.00 N ATOM 260 CA ILE A 27 0.080 6.068 -11.366 1.00 0.00 C ATOM 261 C ILE A 27 0.162 7.218 -12.368 1.00 0.00 C ATOM 262 O ILE A 27 1.237 7.638 -12.744 1.00 0.00 O ATOM 263 CB ILE A 27 0.073 6.616 -9.935 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.601 5.543 -8.995 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.348 6.970 -9.507 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.282 4.305 -9.130 1.00 0.00 C ATOM 0 H ILE A 27 2.153 5.587 -11.185 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.836 5.505 -11.548 1.00 0.00 H new ATOM 0 HB ILE A 27 0.696 7.509 -9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.635 5.300 -9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.594 5.903 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.335 7.358 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.752 7.727 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.973 6.078 -9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.082 3.524 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.308 4.559 -8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.251 3.946 -10.159 1.00 0.00 H new ATOM 278 N ALA A 28 -0.954 7.723 -12.828 1.00 0.00 N ATOM 279 CA ALA A 28 -0.878 8.835 -13.835 1.00 0.00 C ATOM 280 C ALA A 28 -1.844 9.984 -13.508 1.00 0.00 C ATOM 281 O ALA A 28 -3.035 9.800 -13.407 1.00 0.00 O ATOM 282 CB ALA A 28 -1.245 8.283 -15.206 1.00 0.00 C ATOM 0 H ALA A 28 -1.893 7.427 -12.562 1.00 0.00 H new ATOM 0 HA ALA A 28 0.139 9.227 -13.816 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.193 9.082 -15.946 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.547 7.491 -15.478 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.258 7.880 -15.177 1.00 0.00 H new ATOM 288 N ALA A 29 -1.334 11.182 -13.395 1.00 0.00 N ATOM 289 CA ALA A 29 -2.216 12.360 -13.128 1.00 0.00 C ATOM 290 C ALA A 29 -1.356 13.630 -13.075 1.00 0.00 C ATOM 291 O ALA A 29 -1.476 14.484 -13.932 1.00 0.00 O ATOM 292 CB ALA A 29 -2.982 12.178 -11.816 1.00 0.00 C ATOM 0 H ALA A 29 -0.340 11.398 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.947 12.449 -13.931 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.617 13.047 -11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.601 11.283 -11.877 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.275 12.075 -10.993 1.00 0.00 H new ATOM 298 N PRO A 30 -0.498 13.721 -12.085 1.00 0.00 N ATOM 299 CA PRO A 30 0.398 14.880 -11.931 1.00 0.00 C ATOM 300 C PRO A 30 1.605 14.714 -12.859 1.00 0.00 C ATOM 301 O PRO A 30 2.704 14.520 -12.399 1.00 0.00 O ATOM 302 CB PRO A 30 0.829 14.809 -10.465 1.00 0.00 C ATOM 303 CG PRO A 30 0.637 13.337 -10.024 1.00 0.00 C ATOM 304 CD PRO A 30 -0.335 12.695 -11.031 1.00 0.00 C ATOM 0 HA PRO A 30 -0.069 15.832 -12.182 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.868 15.116 -10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.229 15.480 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.590 12.808 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.235 13.286 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.068 11.767 -11.437 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.289 12.450 -10.563 1.00 0.00 H new ATOM 312 N LEU A 31 1.373 14.760 -14.157 1.00 0.00 N ATOM 313 CA LEU A 31 2.461 14.577 -15.192 1.00 0.00 C ATOM 314 C LEU A 31 3.875 14.579 -14.578 1.00 0.00 C ATOM 315 O LEU A 31 4.542 13.563 -14.604 1.00 0.00 O ATOM 316 CB LEU A 31 2.367 15.658 -16.287 1.00 0.00 C ATOM 317 CG LEU A 31 1.141 16.552 -16.068 1.00 0.00 C ATOM 318 CD1 LEU A 31 1.386 17.914 -16.721 1.00 0.00 C ATOM 319 CD2 LEU A 31 -0.088 15.898 -16.705 1.00 0.00 C ATOM 0 H LEU A 31 0.448 14.921 -14.555 1.00 0.00 H new ATOM 0 HA LEU A 31 2.298 13.595 -15.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.271 16.266 -16.282 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.307 15.185 -17.267 1.00 0.00 H new ATOM 0 HG LEU A 31 0.971 16.682 -14.999 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.516 18.553 -16.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.263 18.380 -16.272 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.554 17.780 -17.790 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.960 16.533 -16.549 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.081 15.769 -17.774 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.262 14.925 -16.246 1.00 0.00 H new ATOM 331 N PRO A 32 4.305 15.700 -14.044 1.00 0.00 N ATOM 332 CA PRO A 32 5.643 15.804 -13.432 1.00 0.00 C ATOM 333 C PRO A 32 5.639 15.201 -12.021 1.00 0.00 C ATOM 334 O PRO A 32 5.380 15.884 -11.056 1.00 0.00 O ATOM 335 CB PRO A 32 5.886 17.313 -13.365 1.00 0.00 C ATOM 336 CG PRO A 32 4.492 17.983 -13.390 1.00 0.00 C ATOM 337 CD PRO A 32 3.521 16.953 -13.995 1.00 0.00 C ATOM 0 HA PRO A 32 6.410 15.270 -13.992 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.428 17.579 -12.458 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.492 17.646 -14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.180 18.266 -12.385 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.511 18.895 -13.987 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.627 16.840 -13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.189 17.254 -14.989 1.00 0.00 H new ATOM 345 N VAL A 33 5.928 13.932 -11.889 1.00 0.00 N ATOM 346 CA VAL A 33 5.943 13.313 -10.529 1.00 0.00 C ATOM 347 C VAL A 33 7.371 12.920 -10.160 1.00 0.00 C ATOM 348 O VAL A 33 8.155 12.526 -11.001 1.00 0.00 O ATOM 349 CB VAL A 33 5.059 12.064 -10.503 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.827 11.635 -9.053 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.716 12.383 -11.148 1.00 0.00 C ATOM 0 H VAL A 33 6.153 13.301 -12.658 1.00 0.00 H new ATOM 0 HA VAL A 33 5.560 14.039 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 33 5.551 11.260 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.197 10.745 -9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.784 11.413 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.334 12.441 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.084 11.495 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.228 13.186 -10.595 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.873 12.697 -12.180 1.00 0.00 H new ATOM 361 N THR A 34 7.712 13.024 -8.906 1.00 0.00 N ATOM 362 CA THR A 34 9.090 12.656 -8.473 1.00 0.00 C ATOM 363 C THR A 34 9.049 11.426 -7.565 1.00 0.00 C ATOM 364 O THR A 34 10.044 10.757 -7.377 1.00 0.00 O ATOM 365 CB THR A 34 9.726 13.834 -7.726 1.00 0.00 C ATOM 366 OG1 THR A 34 10.853 13.377 -6.991 1.00 0.00 O ATOM 367 CG2 THR A 34 8.709 14.452 -6.766 1.00 0.00 C ATOM 0 H THR A 34 7.096 13.348 -8.161 1.00 0.00 H new ATOM 0 HA THR A 34 9.688 12.421 -9.354 1.00 0.00 H new ATOM 0 HB THR A 34 10.041 14.587 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.260 14.130 -6.515 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.168 15.288 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.846 14.808 -7.329 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.387 13.701 -6.045 1.00 0.00 H new ATOM 375 N ALA A 35 7.915 11.120 -6.999 1.00 0.00 N ATOM 376 CA ALA A 35 7.835 9.933 -6.108 1.00 0.00 C ATOM 377 C ALA A 35 6.399 9.729 -5.617 1.00 0.00 C ATOM 378 O ALA A 35 5.639 10.668 -5.465 1.00 0.00 O ATOM 379 CB ALA A 35 8.741 10.170 -4.910 1.00 0.00 C ATOM 0 H ALA A 35 7.045 11.639 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 35 8.147 9.045 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.696 9.309 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.766 10.311 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.411 11.060 -4.375 1.00 0.00 H new ATOM 385 N THR A 36 6.037 8.506 -5.340 1.00 0.00 N ATOM 386 CA THR A 36 4.668 8.224 -4.822 1.00 0.00 C ATOM 387 C THR A 36 4.773 7.175 -3.721 1.00 0.00 C ATOM 388 O THR A 36 5.503 6.210 -3.840 1.00 0.00 O ATOM 389 CB THR A 36 3.751 7.682 -5.926 1.00 0.00 C ATOM 390 OG1 THR A 36 2.961 6.627 -5.397 1.00 0.00 O ATOM 391 CG2 THR A 36 4.571 7.160 -7.101 1.00 0.00 C ATOM 0 H THR A 36 6.634 7.686 -5.451 1.00 0.00 H new ATOM 0 HA THR A 36 4.243 9.154 -4.446 1.00 0.00 H new ATOM 0 HB THR A 36 3.111 8.490 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.423 5.773 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.901 6.780 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.175 7.969 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.224 6.357 -6.760 1.00 0.00 H new ATOM 399 N ARG A 37 4.050 7.344 -2.653 1.00 0.00 N ATOM 400 CA ARG A 37 4.109 6.341 -1.561 1.00 0.00 C ATOM 401 C ARG A 37 3.004 5.309 -1.779 1.00 0.00 C ATOM 402 O ARG A 37 1.832 5.611 -1.679 1.00 0.00 O ATOM 403 CB ARG A 37 3.919 7.030 -0.209 1.00 0.00 C ATOM 404 CG ARG A 37 4.981 6.525 0.770 1.00 0.00 C ATOM 405 CD ARG A 37 5.076 7.480 1.960 1.00 0.00 C ATOM 406 NE ARG A 37 5.861 8.685 1.571 1.00 0.00 N ATOM 407 CZ ARG A 37 5.776 9.775 2.281 1.00 0.00 C ATOM 408 NH1 ARG A 37 6.545 9.935 3.324 1.00 0.00 N ATOM 409 NH2 ARG A 37 4.924 10.706 1.950 1.00 0.00 N ATOM 0 H ARG A 37 3.423 8.131 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 37 5.081 5.847 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.999 8.111 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.922 6.824 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.726 5.523 1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.947 6.454 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.078 7.773 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.552 6.980 2.804 1.00 0.00 H new ATOM 0 HE ARG A 37 6.465 8.657 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.212 9.207 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.479 10.788 3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.324 10.581 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.858 11.558 2.506 1.00 0.00 H new ATOM 423 N TRP A 38 3.366 4.094 -2.078 1.00 0.00 N ATOM 424 CA TRP A 38 2.335 3.042 -2.307 1.00 0.00 C ATOM 425 C TRP A 38 2.120 2.257 -1.025 1.00 0.00 C ATOM 426 O TRP A 38 2.749 2.496 -0.013 1.00 0.00 O ATOM 427 CB TRP A 38 2.802 2.052 -3.372 1.00 0.00 C ATOM 428 CG TRP A 38 3.098 2.746 -4.654 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.014 3.723 -4.826 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.502 2.506 -5.953 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.022 4.092 -6.157 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.106 3.371 -6.892 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.504 1.627 -6.401 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.737 3.359 -8.234 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.126 1.615 -7.747 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.742 2.479 -8.662 1.00 0.00 C ATOM 0 H TRP A 38 4.332 3.782 -2.174 1.00 0.00 H new ATOM 0 HA TRP A 38 1.418 3.535 -2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.693 1.531 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.033 1.296 -3.533 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.637 4.146 -4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.631 4.810 -6.548 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.026 0.956 -5.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.216 4.024 -8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.356 0.937 -8.083 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.446 2.464 -9.701 1.00 0.00 H new ATOM 447 N ASP A 39 1.261 1.292 -1.084 1.00 0.00 N ATOM 448 CA ASP A 39 1.013 0.430 0.090 1.00 0.00 C ATOM 449 C ASP A 39 0.602 -0.931 -0.451 1.00 0.00 C ATOM 450 O ASP A 39 -0.500 -1.109 -0.931 1.00 0.00 O ATOM 451 CB ASP A 39 -0.096 1.021 0.958 1.00 0.00 C ATOM 452 CG ASP A 39 0.476 1.393 2.327 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.516 0.527 3.184 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.864 2.538 2.491 1.00 0.00 O ATOM 0 H ASP A 39 0.710 1.060 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 39 1.902 0.349 0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.519 1.902 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.906 0.301 1.073 1.00 0.00 H new ATOM 459 N PHE A 40 1.490 -1.885 -0.432 1.00 0.00 N ATOM 460 CA PHE A 40 1.134 -3.212 -1.010 1.00 0.00 C ATOM 461 C PHE A 40 0.319 -4.035 -0.012 1.00 0.00 C ATOM 462 O PHE A 40 -0.831 -4.346 -0.250 1.00 0.00 O ATOM 463 CB PHE A 40 2.392 -3.992 -1.408 1.00 0.00 C ATOM 464 CG PHE A 40 3.346 -3.132 -2.213 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.917 -1.930 -2.795 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.666 -3.562 -2.399 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.808 -1.165 -3.556 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.554 -2.793 -3.155 1.00 0.00 C ATOM 469 CZ PHE A 40 5.125 -1.596 -3.735 1.00 0.00 C ATOM 0 H PHE A 40 2.432 -1.807 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 40 0.533 -3.033 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.895 -4.355 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.109 -4.868 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.900 -1.595 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.998 -4.490 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.477 -0.240 -4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.573 -3.124 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.812 -1.004 -4.322 1.00 0.00 H new ATOM 479 N GLY A 41 0.903 -4.411 1.093 1.00 0.00 N ATOM 480 CA GLY A 41 0.149 -5.235 2.084 1.00 0.00 C ATOM 481 C GLY A 41 0.476 -6.723 1.876 1.00 0.00 C ATOM 482 O GLY A 41 -0.108 -7.588 2.496 1.00 0.00 O ATOM 0 H GLY A 41 1.863 -4.186 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.412 -4.933 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.922 -5.069 1.970 1.00 0.00 H new ATOM 486 N ASP A 42 1.415 -7.019 1.015 1.00 0.00 N ATOM 487 CA ASP A 42 1.808 -8.437 0.758 1.00 0.00 C ATOM 488 C ASP A 42 3.054 -8.758 1.579 1.00 0.00 C ATOM 489 O ASP A 42 3.916 -9.505 1.159 1.00 0.00 O ATOM 490 CB ASP A 42 2.156 -8.578 -0.724 1.00 0.00 C ATOM 491 CG ASP A 42 3.127 -7.452 -1.135 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.909 -7.013 -0.295 1.00 0.00 O ATOM 493 OD2 ASP A 42 3.067 -7.038 -2.280 1.00 0.00 O ATOM 0 H ASP A 42 1.933 -6.329 0.472 1.00 0.00 H new ATOM 0 HA ASP A 42 0.995 -9.111 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.611 -9.551 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.250 -8.529 -1.327 1.00 0.00 H new ATOM 498 N GLY A 43 3.185 -8.144 2.712 1.00 0.00 N ATOM 499 CA GLY A 43 4.404 -8.336 3.530 1.00 0.00 C ATOM 500 C GLY A 43 5.078 -6.972 3.588 1.00 0.00 C ATOM 501 O GLY A 43 5.555 -6.541 4.619 1.00 0.00 O ATOM 0 H GLY A 43 2.493 -7.510 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.153 -8.692 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.063 -9.080 3.083 1.00 0.00 H new ATOM 505 N SER A 44 5.070 -6.267 2.479 1.00 0.00 N ATOM 506 CA SER A 44 5.654 -4.900 2.455 1.00 0.00 C ATOM 507 C SER A 44 4.490 -3.907 2.410 1.00 0.00 C ATOM 508 O SER A 44 3.843 -3.731 1.395 1.00 0.00 O ATOM 509 CB SER A 44 6.547 -4.726 1.222 1.00 0.00 C ATOM 510 OG SER A 44 5.796 -4.995 0.047 1.00 0.00 O ATOM 0 H SER A 44 4.682 -6.586 1.592 1.00 0.00 H new ATOM 0 HA SER A 44 6.270 -4.730 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.943 -3.711 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.402 -5.400 1.282 1.00 0.00 H new ATOM 0 HG SER A 44 4.854 -4.773 0.203 1.00 0.00 H new ATOM 516 N ALA A 45 4.192 -3.284 3.515 1.00 0.00 N ATOM 517 CA ALA A 45 3.047 -2.333 3.544 1.00 0.00 C ATOM 518 C ALA A 45 3.443 -1.003 2.909 1.00 0.00 C ATOM 519 O ALA A 45 3.264 -0.797 1.721 1.00 0.00 O ATOM 520 CB ALA A 45 2.606 -2.114 4.995 1.00 0.00 C ATOM 0 H ALA A 45 4.691 -3.392 4.398 1.00 0.00 H new ATOM 0 HA ALA A 45 2.219 -2.753 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.768 -1.418 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.300 -3.066 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.436 -1.702 5.569 1.00 0.00 H new ATOM 526 N GLU A 46 3.967 -0.105 3.700 1.00 0.00 N ATOM 527 CA GLU A 46 4.376 1.238 3.185 1.00 0.00 C ATOM 528 C GLU A 46 5.296 1.076 1.978 1.00 0.00 C ATOM 529 O GLU A 46 6.100 0.169 1.915 1.00 0.00 O ATOM 530 CB GLU A 46 5.113 1.999 4.289 1.00 0.00 C ATOM 531 CG GLU A 46 4.238 2.059 5.545 1.00 0.00 C ATOM 532 CD GLU A 46 3.978 3.518 5.925 1.00 0.00 C ATOM 533 OE1 GLU A 46 4.887 4.318 5.784 1.00 0.00 O ATOM 534 OE2 GLU A 46 2.873 3.809 6.354 1.00 0.00 O ATOM 0 H GLU A 46 4.132 -0.246 4.697 1.00 0.00 H new ATOM 0 HA GLU A 46 3.488 1.793 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.058 1.506 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.352 3.008 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.293 1.546 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.731 1.541 6.368 1.00 0.00 H new ATOM 541 N VAL A 47 5.167 1.939 1.005 1.00 0.00 N ATOM 542 CA VAL A 47 6.015 1.816 -0.211 1.00 0.00 C ATOM 543 C VAL A 47 6.567 3.175 -0.631 1.00 0.00 C ATOM 544 O VAL A 47 5.844 4.140 -0.743 1.00 0.00 O ATOM 545 CB VAL A 47 5.159 1.276 -1.349 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.993 1.190 -2.620 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.650 -0.115 -0.988 1.00 0.00 C ATOM 0 H VAL A 47 4.512 2.721 1.002 1.00 0.00 H new ATOM 0 HA VAL A 47 6.847 1.148 0.010 1.00 0.00 H new ATOM 0 HB VAL A 47 4.314 1.945 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.378 0.803 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.360 2.182 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.839 0.523 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.037 -0.501 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.497 -0.781 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.051 -0.059 -0.079 1.00 0.00 H new ATOM 557 N ASP A 48 7.840 3.236 -0.907 1.00 0.00 N ATOM 558 CA ASP A 48 8.456 4.510 -1.367 1.00 0.00 C ATOM 559 C ASP A 48 8.865 4.329 -2.831 1.00 0.00 C ATOM 560 O ASP A 48 9.934 3.835 -3.129 1.00 0.00 O ATOM 561 CB ASP A 48 9.692 4.818 -0.520 1.00 0.00 C ATOM 562 CG ASP A 48 9.255 5.217 0.891 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.998 4.326 1.685 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.183 6.406 1.154 1.00 0.00 O ATOM 0 H ASP A 48 8.485 2.450 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 48 7.750 5.335 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.344 3.945 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.267 5.624 -0.976 1.00 0.00 H new ATOM 569 N ALA A 49 8.005 4.689 -3.746 1.00 0.00 N ATOM 570 CA ALA A 49 8.326 4.496 -5.191 1.00 0.00 C ATOM 571 C ALA A 49 8.870 5.783 -5.816 1.00 0.00 C ATOM 572 O ALA A 49 8.543 6.880 -5.403 1.00 0.00 O ATOM 573 CB ALA A 49 7.057 4.081 -5.927 1.00 0.00 C ATOM 0 H ALA A 49 7.095 5.108 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 49 9.091 3.724 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.280 3.937 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.680 3.149 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.302 4.860 -5.818 1.00 0.00 H new ATOM 579 N ALA A 50 9.693 5.642 -6.825 1.00 0.00 N ATOM 580 CA ALA A 50 10.270 6.834 -7.509 1.00 0.00 C ATOM 581 C ALA A 50 9.312 7.296 -8.609 1.00 0.00 C ATOM 582 O ALA A 50 8.573 6.502 -9.179 1.00 0.00 O ATOM 583 CB ALA A 50 11.618 6.464 -8.132 1.00 0.00 C ATOM 0 H ALA A 50 9.991 4.744 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 50 10.414 7.636 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.039 7.336 -8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.300 6.129 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.476 5.663 -8.858 1.00 0.00 H new ATOM 589 N GLY A 51 9.309 8.575 -8.903 1.00 0.00 N ATOM 590 CA GLY A 51 8.390 9.102 -9.950 1.00 0.00 C ATOM 591 C GLY A 51 7.000 8.536 -9.698 1.00 0.00 C ATOM 592 O GLY A 51 6.695 8.129 -8.597 1.00 0.00 O ATOM 0 H GLY A 51 9.906 9.274 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.367 10.191 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.742 8.817 -10.942 1.00 0.00 H new ATOM 596 N PRO A 52 6.203 8.508 -10.720 1.00 0.00 N ATOM 597 CA PRO A 52 4.849 7.963 -10.633 1.00 0.00 C ATOM 598 C PRO A 52 4.869 6.449 -10.907 1.00 0.00 C ATOM 599 O PRO A 52 4.003 5.942 -11.590 1.00 0.00 O ATOM 600 CB PRO A 52 4.114 8.683 -11.764 1.00 0.00 C ATOM 601 CG PRO A 52 5.198 9.129 -12.780 1.00 0.00 C ATOM 602 CD PRO A 52 6.554 9.048 -12.047 1.00 0.00 C ATOM 0 HA PRO A 52 4.390 8.103 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.388 8.022 -12.237 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.562 9.542 -11.383 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.194 8.484 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.007 10.144 -13.129 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.254 8.398 -12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.026 10.027 -11.969 1.00 0.00 H new ATOM 610 N ALA A 53 5.848 5.709 -10.422 1.00 0.00 N ATOM 611 CA ALA A 53 5.848 4.244 -10.740 1.00 0.00 C ATOM 612 C ALA A 53 6.388 3.403 -9.577 1.00 0.00 C ATOM 613 O ALA A 53 7.242 3.825 -8.827 1.00 0.00 O ATOM 614 CB ALA A 53 6.715 4.004 -11.977 1.00 0.00 C ATOM 0 H ALA A 53 6.618 6.043 -9.842 1.00 0.00 H new ATOM 0 HA ALA A 53 4.817 3.939 -10.921 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.721 2.941 -12.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.309 4.563 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.734 4.337 -11.778 1.00 0.00 H new ATOM 620 N ALA A 54 5.894 2.193 -9.456 1.00 0.00 N ATOM 621 CA ALA A 54 6.358 1.266 -8.377 1.00 0.00 C ATOM 622 C ALA A 54 6.125 -0.172 -8.842 1.00 0.00 C ATOM 623 O ALA A 54 5.851 -0.421 -9.997 1.00 0.00 O ATOM 624 CB ALA A 54 5.561 1.511 -7.091 1.00 0.00 C ATOM 0 H ALA A 54 5.178 1.804 -10.069 1.00 0.00 H new ATOM 0 HA ALA A 54 7.415 1.439 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.907 0.831 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.706 2.541 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.502 1.336 -7.280 1.00 0.00 H new ATOM 630 N SER A 55 6.224 -1.118 -7.952 1.00 0.00 N ATOM 631 CA SER A 55 5.996 -2.540 -8.340 1.00 0.00 C ATOM 632 C SER A 55 5.531 -3.323 -7.112 1.00 0.00 C ATOM 633 O SER A 55 5.936 -3.046 -6.005 1.00 0.00 O ATOM 634 CB SER A 55 7.286 -3.147 -8.882 1.00 0.00 C ATOM 635 OG SER A 55 8.340 -2.201 -8.764 1.00 0.00 O ATOM 0 H SER A 55 6.454 -0.969 -6.969 1.00 0.00 H new ATOM 0 HA SER A 55 5.233 -2.588 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.534 -4.054 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.155 -3.434 -9.925 1.00 0.00 H new ATOM 0 HG SER A 55 9.170 -2.591 -9.111 1.00 0.00 H new ATOM 641 N HIS A 56 4.669 -4.287 -7.293 1.00 0.00 N ATOM 642 CA HIS A 56 4.162 -5.065 -6.126 1.00 0.00 C ATOM 643 C HIS A 56 4.802 -6.450 -6.075 1.00 0.00 C ATOM 644 O HIS A 56 4.947 -7.117 -7.078 1.00 0.00 O ATOM 645 CB HIS A 56 2.653 -5.227 -6.252 1.00 0.00 C ATOM 646 CG HIS A 56 1.974 -4.086 -5.561 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.030 -2.787 -6.038 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.215 -4.035 -4.424 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.318 -2.019 -5.194 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.796 -2.734 -4.196 1.00 0.00 N ATOM 0 H HIS A 56 4.294 -4.569 -8.199 1.00 0.00 H new ATOM 0 HA HIS A 56 4.416 -4.525 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.365 -5.254 -7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.339 -6.173 -5.811 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.521 -2.471 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.978 -4.882 -3.798 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.185 -0.954 -5.310 1.00 0.00 H new ATOM 658 N ARG A 57 5.156 -6.895 -4.900 1.00 0.00 N ATOM 659 CA ARG A 57 5.766 -8.249 -4.757 1.00 0.00 C ATOM 660 C ARG A 57 4.765 -9.166 -4.050 1.00 0.00 C ATOM 661 O ARG A 57 4.734 -9.254 -2.839 1.00 0.00 O ATOM 662 CB ARG A 57 7.063 -8.161 -3.939 1.00 0.00 C ATOM 663 CG ARG A 57 6.847 -7.310 -2.683 1.00 0.00 C ATOM 664 CD ARG A 57 7.879 -6.180 -2.647 1.00 0.00 C ATOM 665 NE ARG A 57 7.640 -5.240 -3.780 1.00 0.00 N ATOM 666 CZ ARG A 57 8.599 -4.452 -4.188 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.493 -4.013 -3.345 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.658 -4.095 -5.444 1.00 0.00 N ATOM 0 H ARG A 57 5.049 -6.377 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 57 6.005 -8.650 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.390 -9.161 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.856 -7.727 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.839 -6.896 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.939 -7.930 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.813 -5.646 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.886 -6.593 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 57 6.728 -5.212 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.445 -4.285 -2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.240 -3.398 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.956 -4.431 -6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.406 -3.480 -5.765 1.00 0.00 H new ATOM 682 N TYR A 58 3.933 -9.835 -4.799 1.00 0.00 N ATOM 683 CA TYR A 58 2.915 -10.725 -4.174 1.00 0.00 C ATOM 684 C TYR A 58 3.468 -12.147 -4.064 1.00 0.00 C ATOM 685 O TYR A 58 3.902 -12.727 -5.034 1.00 0.00 O ATOM 686 CB TYR A 58 1.656 -10.696 -5.042 1.00 0.00 C ATOM 687 CG TYR A 58 1.007 -9.353 -4.894 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.705 -8.876 -3.618 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.694 -8.594 -6.023 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.087 -7.636 -3.466 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.070 -7.355 -5.871 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.233 -6.878 -4.590 1.00 0.00 C ATOM 693 OH TYR A 58 -0.867 -5.668 -4.440 1.00 0.00 O ATOM 0 H TYR A 58 3.914 -9.804 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 58 2.671 -10.381 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.911 -10.880 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.968 -11.485 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.950 -9.468 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.934 -8.964 -7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.143 -7.264 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.179 -6.765 -6.741 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.018 -5.494 -3.488 1.00 0.00 H new ATOM 703 N VAL A 59 3.475 -12.700 -2.876 1.00 0.00 N ATOM 704 CA VAL A 59 4.027 -14.077 -2.694 1.00 0.00 C ATOM 705 C VAL A 59 2.957 -15.044 -2.164 1.00 0.00 C ATOM 706 O VAL A 59 3.144 -16.246 -2.185 1.00 0.00 O ATOM 707 CB VAL A 59 5.192 -14.018 -1.704 1.00 0.00 C ATOM 708 CG1 VAL A 59 6.189 -12.952 -2.159 1.00 0.00 C ATOM 709 CG2 VAL A 59 4.666 -13.656 -0.311 1.00 0.00 C ATOM 0 H VAL A 59 3.123 -12.258 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 59 4.366 -14.445 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 59 5.684 -14.990 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.020 -12.907 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.565 -13.205 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.693 -11.982 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.498 -13.615 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.174 -12.684 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.952 -14.412 0.016 1.00 0.00 H new ATOM 719 N LEU A 60 1.845 -14.550 -1.683 1.00 0.00 N ATOM 720 CA LEU A 60 0.794 -15.472 -1.157 1.00 0.00 C ATOM 721 C LEU A 60 -0.334 -15.606 -2.185 1.00 0.00 C ATOM 722 O LEU A 60 -0.624 -14.674 -2.909 1.00 0.00 O ATOM 723 CB LEU A 60 0.228 -14.898 0.145 1.00 0.00 C ATOM 724 CG LEU A 60 0.209 -15.982 1.223 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.043 -15.527 2.421 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.234 -16.224 1.674 1.00 0.00 C ATOM 0 H LEU A 60 1.620 -13.556 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 60 1.230 -16.453 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.834 -14.054 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.781 -14.520 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 60 0.627 -16.904 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.029 -16.300 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.070 -15.350 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.625 -14.606 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.250 -16.997 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.648 -15.301 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.832 -16.547 0.822 1.00 0.00 H new ATOM 738 N PRO A 61 -0.948 -16.760 -2.210 1.00 0.00 N ATOM 739 CA PRO A 61 -2.061 -17.042 -3.129 1.00 0.00 C ATOM 740 C PRO A 61 -3.347 -16.403 -2.597 1.00 0.00 C ATOM 741 O PRO A 61 -3.832 -16.752 -1.540 1.00 0.00 O ATOM 742 CB PRO A 61 -2.160 -18.568 -3.119 1.00 0.00 C ATOM 743 CG PRO A 61 -1.501 -19.038 -1.801 1.00 0.00 C ATOM 744 CD PRO A 61 -0.589 -17.889 -1.330 1.00 0.00 C ATOM 0 HA PRO A 61 -1.910 -16.643 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.200 -18.890 -3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.651 -18.996 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.257 -19.265 -1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.925 -19.950 -1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.762 -17.647 -0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.465 -18.151 -1.427 1.00 0.00 H new ATOM 752 N GLY A 62 -3.900 -15.467 -3.317 1.00 0.00 N ATOM 753 CA GLY A 62 -5.149 -14.806 -2.846 1.00 0.00 C ATOM 754 C GLY A 62 -5.258 -13.420 -3.480 1.00 0.00 C ATOM 755 O GLY A 62 -4.683 -13.159 -4.514 1.00 0.00 O ATOM 0 H GLY A 62 -3.541 -15.131 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.016 -15.410 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.142 -14.722 -1.759 1.00 0.00 H new ATOM 759 N ARG A 63 -5.993 -12.529 -2.872 1.00 0.00 N ATOM 760 CA ARG A 63 -6.135 -11.164 -3.453 1.00 0.00 C ATOM 761 C ARG A 63 -5.452 -10.134 -2.551 1.00 0.00 C ATOM 762 O ARG A 63 -5.222 -10.370 -1.381 1.00 0.00 O ATOM 763 CB ARG A 63 -7.619 -10.817 -3.585 1.00 0.00 C ATOM 764 CG ARG A 63 -8.222 -10.588 -2.197 1.00 0.00 C ATOM 765 CD ARG A 63 -9.618 -11.209 -2.140 1.00 0.00 C ATOM 766 NE ARG A 63 -10.481 -10.408 -1.226 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.647 -10.785 0.013 1.00 0.00 C ATOM 768 NH1 ARG A 63 -9.681 -10.635 0.877 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.781 -11.312 0.386 1.00 0.00 N ATOM 0 H ARG A 63 -6.500 -12.687 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.664 -11.146 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.740 -9.923 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.147 -11.624 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.583 -11.032 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.278 -9.520 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.056 -11.238 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.555 -12.239 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.942 -9.565 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.795 -10.223 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.812 -10.930 1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.536 -11.429 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.912 -11.607 1.353 1.00 0.00 H new ATOM 783 N TYR A 64 -5.130 -8.988 -3.092 1.00 0.00 N ATOM 784 CA TYR A 64 -4.468 -7.930 -2.276 1.00 0.00 C ATOM 785 C TYR A 64 -5.112 -6.581 -2.580 1.00 0.00 C ATOM 786 O TYR A 64 -5.715 -6.390 -3.623 1.00 0.00 O ATOM 787 CB TYR A 64 -2.987 -7.821 -2.642 1.00 0.00 C ATOM 788 CG TYR A 64 -2.244 -9.079 -2.278 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.263 -10.178 -3.144 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.503 -9.135 -1.089 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.541 -11.330 -2.824 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.787 -10.292 -0.767 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.804 -11.388 -1.635 1.00 0.00 C ATOM 794 OH TYR A 64 -0.084 -12.523 -1.329 1.00 0.00 O ATOM 0 H TYR A 64 -5.298 -8.740 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.577 -8.193 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.886 -7.632 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.543 -6.970 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.835 -10.135 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.485 -8.285 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.551 -12.177 -3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.221 -10.339 0.152 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.152 -13.163 -2.068 1.00 0.00 H new ATOM 804 N HIS A 65 -4.956 -5.633 -1.695 1.00 0.00 N ATOM 805 CA HIS A 65 -5.522 -4.280 -1.937 1.00 0.00 C ATOM 806 C HIS A 65 -4.365 -3.284 -2.024 1.00 0.00 C ATOM 807 O HIS A 65 -3.632 -3.084 -1.077 1.00 0.00 O ATOM 808 CB HIS A 65 -6.454 -3.886 -0.792 1.00 0.00 C ATOM 809 CG HIS A 65 -7.044 -2.536 -1.088 1.00 0.00 C ATOM 810 ND1 HIS A 65 -8.044 -2.360 -2.031 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.774 -1.286 -0.590 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.338 -1.048 -2.071 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.593 -0.348 -1.212 1.00 0.00 N ATOM 0 H HIS A 65 -4.458 -5.741 -0.811 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.094 -4.279 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.246 -4.627 -0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.905 -3.859 0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.038 -1.064 0.169 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.085 -0.614 -2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.619 0.658 -1.047 1.00 0.00 H new ATOM 821 N VAL A 66 -4.184 -2.677 -3.161 1.00 0.00 N ATOM 822 CA VAL A 66 -3.061 -1.713 -3.324 1.00 0.00 C ATOM 823 C VAL A 66 -3.553 -0.281 -3.137 1.00 0.00 C ATOM 824 O VAL A 66 -4.669 0.049 -3.469 1.00 0.00 O ATOM 825 CB VAL A 66 -2.491 -1.849 -4.734 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.351 -0.846 -4.923 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.965 -3.265 -4.938 1.00 0.00 C ATOM 0 H VAL A 66 -4.767 -2.807 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.299 -1.932 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.276 -1.647 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.944 -0.943 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.730 0.166 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.566 -1.046 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.558 -3.361 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.181 -3.470 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.779 -3.978 -4.806 1.00 0.00 H new ATOM 837 N THR A 67 -2.708 0.574 -2.631 1.00 0.00 N ATOM 838 CA THR A 67 -3.086 2.003 -2.446 1.00 0.00 C ATOM 839 C THR A 67 -1.838 2.848 -2.695 1.00 0.00 C ATOM 840 O THR A 67 -0.728 2.367 -2.571 1.00 0.00 O ATOM 841 CB THR A 67 -3.595 2.245 -1.021 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.492 2.482 -0.159 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.375 1.025 -0.530 1.00 0.00 C ATOM 0 H THR A 67 -1.760 0.340 -2.334 1.00 0.00 H new ATOM 0 HA THR A 67 -3.883 2.271 -3.140 1.00 0.00 H new ATOM 0 HB THR A 67 -4.254 3.113 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.817 2.638 0.752 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.733 1.206 0.484 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.225 0.847 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.724 0.151 -0.534 1.00 0.00 H new ATOM 851 N ALA A 68 -1.989 4.092 -3.058 1.00 0.00 N ATOM 852 CA ALA A 68 -0.774 4.920 -3.314 1.00 0.00 C ATOM 853 C ALA A 68 -1.056 6.396 -3.057 1.00 0.00 C ATOM 854 O ALA A 68 -2.184 6.832 -2.987 1.00 0.00 O ATOM 855 CB ALA A 68 -0.326 4.751 -4.772 1.00 0.00 C ATOM 0 H ALA A 68 -2.883 4.565 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 68 0.011 4.583 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.561 5.358 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.094 3.703 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.127 5.072 -5.438 1.00 0.00 H new ATOM 861 N VAL A 69 -0.017 7.167 -2.948 1.00 0.00 N ATOM 862 CA VAL A 69 -0.174 8.626 -2.736 1.00 0.00 C ATOM 863 C VAL A 69 0.880 9.320 -3.590 1.00 0.00 C ATOM 864 O VAL A 69 2.040 8.969 -3.565 1.00 0.00 O ATOM 865 CB VAL A 69 0.015 8.983 -1.257 1.00 0.00 C ATOM 866 CG1 VAL A 69 1.468 8.758 -0.845 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.350 10.454 -1.042 1.00 0.00 C ATOM 0 H VAL A 69 0.949 6.843 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.176 8.948 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.630 8.348 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.592 9.014 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.731 7.711 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.120 9.388 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.217 10.712 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.296 11.083 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.390 10.616 -1.327 1.00 0.00 H new ATOM 877 N LEU A 70 0.492 10.278 -4.373 1.00 0.00 N ATOM 878 CA LEU A 70 1.488 10.954 -5.249 1.00 0.00 C ATOM 879 C LEU A 70 2.115 12.103 -4.479 1.00 0.00 C ATOM 880 O LEU A 70 1.447 12.798 -3.744 1.00 0.00 O ATOM 881 CB LEU A 70 0.803 11.545 -6.486 1.00 0.00 C ATOM 882 CG LEU A 70 0.264 10.460 -7.429 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.245 10.275 -8.576 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.076 9.131 -6.697 1.00 0.00 C ATOM 0 H LEU A 70 -0.465 10.624 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 70 2.236 10.222 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.018 12.189 -6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.512 12.173 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.708 10.776 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.873 9.506 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.352 11.215 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.214 9.971 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.307 8.384 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.033 8.798 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.633 9.263 -5.880 1.00 0.00 H new ATOM 896 N ALA A 71 3.381 12.335 -4.647 1.00 0.00 N ATOM 897 CA ALA A 71 3.994 13.472 -3.926 1.00 0.00 C ATOM 898 C ALA A 71 4.798 14.320 -4.888 1.00 0.00 C ATOM 899 O ALA A 71 5.869 13.958 -5.336 1.00 0.00 O ATOM 900 CB ALA A 71 4.901 12.999 -2.812 1.00 0.00 C ATOM 0 H ALA A 71 4.009 11.795 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 71 3.186 14.060 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.334 13.861 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.325 12.410 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.699 12.385 -3.229 1.00 0.00 H new ATOM 906 N LEU A 72 4.278 15.456 -5.184 1.00 0.00 N ATOM 907 CA LEU A 72 4.962 16.397 -6.098 1.00 0.00 C ATOM 908 C LEU A 72 5.552 17.540 -5.277 1.00 0.00 C ATOM 909 O LEU A 72 6.291 18.366 -5.772 1.00 0.00 O ATOM 910 CB LEU A 72 3.928 16.968 -7.053 1.00 0.00 C ATOM 911 CG LEU A 72 4.378 16.758 -8.497 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.381 17.437 -9.440 1.00 0.00 C ATOM 913 CD2 LEU A 72 5.763 17.381 -8.692 1.00 0.00 C ATOM 0 H LEU A 72 3.383 15.788 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 72 5.752 15.886 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.965 16.485 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.789 18.031 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 72 4.423 15.691 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.698 17.290 -10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.392 17.001 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.342 18.504 -9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.087 17.233 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.715 18.448 -8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.474 16.906 -8.016 1.00 0.00 H new ATOM 925 N GLY A 73 5.198 17.603 -4.029 1.00 0.00 N ATOM 926 CA GLY A 73 5.693 18.702 -3.157 1.00 0.00 C ATOM 927 C GLY A 73 4.532 19.666 -2.919 1.00 0.00 C ATOM 928 O GLY A 73 4.225 20.028 -1.800 1.00 0.00 O ATOM 0 H GLY A 73 4.580 16.934 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.059 18.304 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.528 19.219 -3.630 1.00 0.00 H new ATOM 932 N ALA A 74 3.873 20.066 -3.973 1.00 0.00 N ATOM 933 CA ALA A 74 2.711 20.987 -3.833 1.00 0.00 C ATOM 934 C ALA A 74 1.438 20.294 -4.338 1.00 0.00 C ATOM 935 O ALA A 74 0.351 20.820 -4.222 1.00 0.00 O ATOM 936 CB ALA A 74 2.960 22.248 -4.660 1.00 0.00 C ATOM 0 H ALA A 74 4.092 19.792 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 74 2.587 21.254 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.110 22.923 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.863 22.744 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.085 21.977 -5.708 1.00 0.00 H new ATOM 942 N GLY A 75 1.565 19.118 -4.899 1.00 0.00 N ATOM 943 CA GLY A 75 0.365 18.397 -5.411 1.00 0.00 C ATOM 944 C GLY A 75 0.484 16.908 -5.079 1.00 0.00 C ATOM 945 O GLY A 75 1.566 16.387 -4.902 1.00 0.00 O ATOM 0 H GLY A 75 2.450 18.627 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.539 18.809 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.277 18.534 -6.489 1.00 0.00 H new ATOM 949 N SER A 76 -0.621 16.224 -4.980 1.00 0.00 N ATOM 950 CA SER A 76 -0.579 14.773 -4.648 1.00 0.00 C ATOM 951 C SER A 76 -1.772 14.066 -5.301 1.00 0.00 C ATOM 952 O SER A 76 -2.581 14.678 -5.968 1.00 0.00 O ATOM 953 CB SER A 76 -0.673 14.621 -3.133 1.00 0.00 C ATOM 954 OG SER A 76 -2.023 14.807 -2.726 1.00 0.00 O ATOM 0 H SER A 76 -1.556 16.609 -5.115 1.00 0.00 H new ATOM 0 HA SER A 76 0.348 14.332 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.323 13.633 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.029 15.351 -2.642 1.00 0.00 H new ATOM 0 HG SER A 76 -2.088 14.708 -1.753 1.00 0.00 H new ATOM 960 N ALA A 77 -1.884 12.783 -5.104 1.00 0.00 N ATOM 961 CA ALA A 77 -3.020 12.023 -5.697 1.00 0.00 C ATOM 962 C ALA A 77 -3.272 10.775 -4.848 1.00 0.00 C ATOM 963 O ALA A 77 -2.434 10.376 -4.065 1.00 0.00 O ATOM 964 CB ALA A 77 -2.672 11.610 -7.128 1.00 0.00 C ATOM 0 H ALA A 77 -1.233 12.223 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.914 12.646 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.505 11.054 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.481 12.500 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.782 10.981 -7.119 1.00 0.00 H new ATOM 970 N LEU A 78 -4.416 10.159 -4.984 1.00 0.00 N ATOM 971 CA LEU A 78 -4.700 8.943 -4.167 1.00 0.00 C ATOM 972 C LEU A 78 -4.873 7.729 -5.075 1.00 0.00 C ATOM 973 O LEU A 78 -5.594 7.766 -6.052 1.00 0.00 O ATOM 974 CB LEU A 78 -5.978 9.157 -3.354 1.00 0.00 C ATOM 975 CG LEU A 78 -5.626 9.798 -2.011 1.00 0.00 C ATOM 976 CD1 LEU A 78 -6.027 11.273 -2.026 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.380 9.079 -0.891 1.00 0.00 C ATOM 0 H LEU A 78 -5.161 10.442 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.862 8.767 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.669 9.796 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.483 8.205 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.552 9.716 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.775 11.728 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.492 11.787 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.100 11.357 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.130 9.535 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.453 9.162 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.095 8.027 -0.878 1.00 0.00 H new ATOM 989 N LEU A 79 -4.210 6.653 -4.757 1.00 0.00 N ATOM 990 CA LEU A 79 -4.319 5.431 -5.589 1.00 0.00 C ATOM 991 C LEU A 79 -4.963 4.315 -4.780 1.00 0.00 C ATOM 992 O LEU A 79 -4.938 4.318 -3.564 1.00 0.00 O ATOM 993 CB LEU A 79 -2.918 4.992 -6.009 1.00 0.00 C ATOM 994 CG LEU A 79 -2.832 4.772 -7.519 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.875 3.270 -7.816 1.00 0.00 C ATOM 996 CD2 LEU A 79 -3.995 5.473 -8.222 1.00 0.00 C ATOM 0 H LEU A 79 -3.593 6.571 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.929 5.642 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.193 5.748 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.653 4.071 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.896 5.191 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.814 3.110 -8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.034 2.778 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.808 2.851 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.922 5.309 -9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.939 5.068 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.954 6.542 -8.015 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.530 3.357 -5.454 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.181 2.229 -4.744 1.00 0.00 C ATOM 1010 C GLY A 80 -6.532 1.116 -5.739 1.00 0.00 C ATOM 1011 O GLY A 80 -7.614 1.087 -6.287 1.00 0.00 O ATOM 0 H GLY A 80 -5.570 3.308 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.516 1.842 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.084 2.577 -4.242 1.00 0.00 H new ATOM 1015 N THR A 81 -5.632 0.192 -5.971 1.00 0.00 N ATOM 1016 CA THR A 81 -5.933 -0.918 -6.929 1.00 0.00 C ATOM 1017 C THR A 81 -6.110 -2.230 -6.155 1.00 0.00 C ATOM 1018 O THR A 81 -6.146 -2.248 -4.944 1.00 0.00 O ATOM 1019 CB THR A 81 -4.783 -1.080 -7.936 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.920 -2.124 -7.510 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.987 0.219 -8.047 1.00 0.00 C ATOM 0 H THR A 81 -4.707 0.158 -5.542 1.00 0.00 H new ATOM 0 HA THR A 81 -6.850 -0.677 -7.467 1.00 0.00 H new ATOM 0 HB THR A 81 -5.204 -1.324 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.048 -2.908 -8.083 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.176 0.089 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.644 1.021 -8.384 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.572 0.476 -7.072 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.213 -3.326 -6.858 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.374 -4.649 -6.198 1.00 0.00 C ATOM 1031 C ASP A 82 -5.754 -5.711 -7.109 1.00 0.00 C ATOM 1032 O ASP A 82 -5.646 -5.514 -8.303 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.862 -4.939 -5.993 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.472 -5.501 -7.281 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.874 -4.709 -8.118 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.538 -6.715 -7.403 1.00 0.00 O ATOM 0 H ASP A 82 -6.192 -3.358 -7.877 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.881 -4.656 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.993 -5.652 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.382 -4.026 -5.704 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.340 -6.832 -6.578 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.734 -7.866 -7.459 1.00 0.00 C ATOM 1043 C VAL A 83 -5.242 -9.250 -7.057 1.00 0.00 C ATOM 1044 O VAL A 83 -5.565 -9.497 -5.914 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.199 -7.838 -7.354 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.729 -6.911 -6.232 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.693 -9.242 -7.045 1.00 0.00 C ATOM 0 H VAL A 83 -5.395 -7.072 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.021 -7.652 -8.488 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.807 -7.473 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.640 -6.917 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.079 -5.897 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.133 -7.258 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.606 -9.228 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.118 -9.582 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.993 -9.921 -7.843 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.297 -10.161 -7.994 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.760 -11.539 -7.678 1.00 0.00 C ATOM 1059 C GLN A 84 -4.606 -12.511 -7.939 1.00 0.00 C ATOM 1060 O GLN A 84 -4.486 -13.074 -9.009 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.951 -11.900 -8.569 1.00 0.00 C ATOM 1062 CG GLN A 84 -8.219 -11.984 -7.715 1.00 0.00 C ATOM 1063 CD GLN A 84 -9.402 -11.389 -8.483 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.234 -10.493 -9.287 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -10.600 -11.855 -8.266 1.00 0.00 N ATOM 0 H GLN A 84 -5.039 -10.006 -8.969 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.070 -11.599 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.075 -11.150 -9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.771 -12.853 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.427 -13.022 -7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.074 -11.446 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.740 -12.607 -7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.397 -11.468 -8.771 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.749 -12.699 -6.973 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.595 -13.619 -7.170 1.00 0.00 C ATOM 1076 C VAL A 85 -3.063 -15.069 -7.051 1.00 0.00 C ATOM 1077 O VAL A 85 -3.834 -15.414 -6.177 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.530 -13.331 -6.112 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.484 -14.447 -6.115 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.852 -11.998 -6.433 1.00 0.00 C ATOM 0 H VAL A 85 -3.799 -12.255 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.172 -13.462 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.998 -13.280 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.273 -14.238 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.966 -15.399 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.012 -14.501 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.091 -11.787 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.385 -12.055 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.596 -11.201 -6.430 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.604 -15.920 -7.929 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.026 -17.349 -7.876 1.00 0.00 C ATOM 1092 C GLU A 86 -1.799 -18.251 -7.762 1.00 0.00 C ATOM 1093 O GLU A 86 -0.784 -18.012 -8.380 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.783 -17.702 -9.156 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.978 -16.759 -9.329 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.165 -16.443 -10.814 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -5.044 -17.357 -11.613 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -5.427 -15.293 -11.126 1.00 0.00 O ATOM 0 H GLU A 86 -1.955 -15.687 -8.681 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.669 -17.498 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.118 -17.623 -10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.127 -18.735 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.880 -17.220 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.814 -15.839 -8.768 1.00 0.00 H new ATOM 1105 N ALA A 87 -1.887 -19.293 -6.983 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.724 -20.214 -6.838 1.00 0.00 C ATOM 1107 C ALA A 87 -0.853 -21.358 -7.843 1.00 0.00 C ATOM 1108 O ALA A 87 -0.007 -21.541 -8.694 1.00 0.00 O ATOM 1109 CB ALA A 87 -0.695 -20.782 -5.419 1.00 0.00 C ATOM 0 H ALA A 87 -2.713 -19.547 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 87 0.199 -19.666 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.156 -21.455 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.603 -19.966 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.617 -21.330 -5.228 1.00 0.00 H new TER 1115 ALA A 87