USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 758 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.122 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -133:sc= -2.68! (180deg=-6.87!) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.739 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= -0.108 (180deg=-0.489) USER MOD Single : A 18 GLN : amide:sc= -4.6! C(o=-4.6!,f=-8.7!) USER MOD Single : A 30 CYS SG : rot 180:sc= -2.2! USER MOD Single : A 33 SER OG : rot -110:sc= 0.183 USER MOD Single : A 37 THR OG1 : rot 134:sc= -2.17! USER MOD Single : A 40 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.37!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.475) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0304 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 171:sc= -14.7! (180deg=-14.9!) USER MOD Single : A 64 MET CE :methyl 154:sc= 0 (180deg=-0.553) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.157 (180deg=-0.636) USER MOD Single : A 78 TYR OH : rot 0:sc= -0.234 USER MOD Single : A 80 CYS SG : rot 59:sc= -12.5! USER MOD Single : A 85 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0284 (180deg=-0.264) USER MOD Single : A 87 SER OG : rot -98:sc= 0.241 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -1.22 F(o=-2.7!,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.964 17.611 -15.688 1.00 0.00 N ATOM 2 CA GLY A 1 14.204 16.479 -16.186 1.00 0.00 C ATOM 3 C GLY A 1 12.828 16.383 -15.558 1.00 0.00 C ATOM 4 O GLY A 1 11.897 17.070 -15.978 1.00 0.00 O ATOM 0 H1 GLY A 1 15.897 17.632 -16.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.453 18.492 -15.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.087 17.521 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.101 16.562 -17.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.755 15.560 -15.988 1.00 0.00 H new ATOM 8 N SER A 2 12.697 15.527 -14.549 1.00 0.00 N ATOM 9 CA SER A 2 11.423 15.340 -13.865 1.00 0.00 C ATOM 10 C SER A 2 11.533 15.732 -12.395 1.00 0.00 C ATOM 11 O SER A 2 10.659 16.410 -11.855 1.00 0.00 O ATOM 12 CB SER A 2 10.966 13.885 -13.984 1.00 0.00 C ATOM 13 OG SER A 2 9.663 13.715 -13.452 1.00 0.00 O ATOM 0 H SER A 2 13.458 14.952 -14.187 1.00 0.00 H new ATOM 0 HA SER A 2 10.685 15.986 -14.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.977 13.581 -15.031 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.665 13.236 -13.456 1.00 0.00 H new ATOM 0 HG SER A 2 9.393 12.777 -13.541 1.00 0.00 H new ATOM 19 N SER A 3 12.614 15.300 -11.753 1.00 0.00 N ATOM 20 CA SER A 3 12.837 15.601 -10.344 1.00 0.00 C ATOM 21 C SER A 3 13.289 17.047 -10.163 1.00 0.00 C ATOM 22 O SER A 3 14.483 17.343 -10.186 1.00 0.00 O ATOM 23 CB SER A 3 13.882 14.651 -9.757 1.00 0.00 C ATOM 24 OG SER A 3 13.721 14.518 -8.355 1.00 0.00 O ATOM 0 H SER A 3 13.349 14.741 -12.186 1.00 0.00 H new ATOM 0 HA SER A 3 11.894 15.464 -9.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.795 13.673 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.882 15.024 -9.977 1.00 0.00 H new ATOM 0 HG SER A 3 14.400 13.904 -8.005 1.00 0.00 H new ATOM 30 N GLY A 4 12.325 17.944 -9.982 1.00 0.00 N ATOM 31 CA GLY A 4 12.643 19.348 -9.799 1.00 0.00 C ATOM 32 C GLY A 4 11.570 20.263 -10.357 1.00 0.00 C ATOM 33 O GLY A 4 11.451 20.423 -11.571 1.00 0.00 O ATOM 0 H GLY A 4 11.329 17.724 -9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.774 19.552 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.593 19.569 -10.285 1.00 0.00 H new ATOM 37 N SER A 5 10.785 20.863 -9.467 1.00 0.00 N ATOM 38 CA SER A 5 9.713 21.762 -9.877 1.00 0.00 C ATOM 39 C SER A 5 9.320 22.695 -8.736 1.00 0.00 C ATOM 40 O SER A 5 8.698 22.273 -7.761 1.00 0.00 O ATOM 41 CB SER A 5 8.494 20.959 -10.338 1.00 0.00 C ATOM 42 OG SER A 5 8.014 20.120 -9.301 1.00 0.00 O ATOM 0 H SER A 5 10.872 20.743 -8.458 1.00 0.00 H new ATOM 0 HA SER A 5 10.077 22.366 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.704 21.640 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.759 20.355 -11.205 1.00 0.00 H new ATOM 0 HG SER A 5 8.109 20.578 -8.440 1.00 0.00 H new ATOM 48 N SER A 6 9.687 23.965 -8.865 1.00 0.00 N ATOM 49 CA SER A 6 9.377 24.959 -7.844 1.00 0.00 C ATOM 50 C SER A 6 7.876 25.012 -7.576 1.00 0.00 C ATOM 51 O SER A 6 7.152 25.794 -8.191 1.00 0.00 O ATOM 52 CB SER A 6 9.879 26.338 -8.274 1.00 0.00 C ATOM 53 OG SER A 6 11.294 26.401 -8.234 1.00 0.00 O ATOM 0 H SER A 6 10.200 24.331 -9.667 1.00 0.00 H new ATOM 0 HA SER A 6 9.883 24.668 -6.924 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.531 26.557 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.459 27.102 -7.619 1.00 0.00 H new ATOM 0 HG SER A 6 11.590 27.292 -8.515 1.00 0.00 H new ATOM 59 N GLY A 7 7.415 24.174 -6.653 1.00 0.00 N ATOM 60 CA GLY A 7 6.003 24.140 -6.319 1.00 0.00 C ATOM 61 C GLY A 7 5.749 23.594 -4.928 1.00 0.00 C ATOM 62 O GLY A 7 6.667 23.434 -4.123 1.00 0.00 O ATOM 0 H GLY A 7 7.995 23.517 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.591 25.147 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.475 23.526 -7.049 1.00 0.00 H new ATOM 66 N PRO A 8 4.476 23.299 -4.627 1.00 0.00 N ATOM 67 CA PRO A 8 4.073 22.764 -3.323 1.00 0.00 C ATOM 68 C PRO A 8 4.558 21.334 -3.109 1.00 0.00 C ATOM 69 O PRO A 8 5.355 20.816 -3.889 1.00 0.00 O ATOM 70 CB PRO A 8 2.544 22.808 -3.378 1.00 0.00 C ATOM 71 CG PRO A 8 2.215 22.746 -4.830 1.00 0.00 C ATOM 72 CD PRO A 8 3.330 23.465 -5.538 1.00 0.00 C ATOM 0 HA PRO A 8 4.499 23.335 -2.498 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.104 21.971 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.158 23.720 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.139 21.713 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.254 23.219 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.529 23.031 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.092 24.517 -5.697 1.00 0.00 H new ATOM 80 N ALA A 9 4.071 20.703 -2.046 1.00 0.00 N ATOM 81 CA ALA A 9 4.452 19.332 -1.730 1.00 0.00 C ATOM 82 C ALA A 9 3.276 18.379 -1.912 1.00 0.00 C ATOM 83 O ALA A 9 3.231 17.310 -1.303 1.00 0.00 O ATOM 84 CB ALA A 9 4.988 19.247 -0.309 1.00 0.00 C ATOM 0 H ALA A 9 3.412 21.120 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 9 5.239 19.032 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.269 18.217 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.862 19.891 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.218 19.572 0.390 1.00 0.00 H new ATOM 90 N ALA A 10 2.325 18.774 -2.752 1.00 0.00 N ATOM 91 CA ALA A 10 1.149 17.953 -3.015 1.00 0.00 C ATOM 92 C ALA A 10 1.515 16.708 -3.815 1.00 0.00 C ATOM 93 O ALA A 10 2.664 16.538 -4.224 1.00 0.00 O ATOM 94 CB ALA A 10 0.093 18.765 -3.751 1.00 0.00 C ATOM 0 H ALA A 10 2.346 19.657 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 10 0.741 17.629 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.780 18.140 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.199 19.620 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.500 19.117 -4.699 1.00 0.00 H new ATOM 100 N ILE A 11 0.532 15.842 -4.036 1.00 0.00 N ATOM 101 CA ILE A 11 0.752 14.613 -4.788 1.00 0.00 C ATOM 102 C ILE A 11 0.322 14.775 -6.242 1.00 0.00 C ATOM 103 O ILE A 11 -0.833 15.092 -6.527 1.00 0.00 O ATOM 104 CB ILE A 11 -0.012 13.429 -4.167 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.383 13.252 -2.700 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.259 12.154 -4.952 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.724 12.681 -1.841 1.00 0.00 C ATOM 0 H ILE A 11 -0.424 15.969 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 11 1.821 14.405 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.080 13.641 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.252 12.596 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.685 14.218 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.288 11.326 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.068 12.286 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.327 11.936 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.373 12.583 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.586 13.347 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.011 11.701 -2.222 1.00 0.00 H new ATOM 119 N ILE A 12 1.259 14.552 -7.158 1.00 0.00 N ATOM 120 CA ILE A 12 0.976 14.670 -8.583 1.00 0.00 C ATOM 121 C ILE A 12 0.490 13.344 -9.159 1.00 0.00 C ATOM 122 O ILE A 12 -0.362 13.315 -10.047 1.00 0.00 O ATOM 123 CB ILE A 12 2.219 15.132 -9.367 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.491 14.580 -8.721 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.268 16.651 -9.433 1.00 0.00 C ATOM 126 CD1 ILE A 12 4.019 15.440 -7.595 1.00 0.00 C ATOM 0 H ILE A 12 2.220 14.289 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 12 0.191 15.419 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 12 2.154 14.745 -10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.290 13.579 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.263 14.481 -9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.152 16.963 -9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.374 17.022 -9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.314 17.058 -8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.922 14.988 -7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.252 16.435 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.264 15.519 -6.813 1.00 0.00 H new ATOM 138 N LYS A 13 1.036 12.247 -8.646 1.00 0.00 N ATOM 139 CA LYS A 13 0.657 10.916 -9.105 1.00 0.00 C ATOM 140 C LYS A 13 -0.125 10.171 -8.028 1.00 0.00 C ATOM 141 O LYS A 13 0.441 9.633 -7.077 1.00 0.00 O ATOM 142 CB LYS A 13 1.902 10.114 -9.493 1.00 0.00 C ATOM 143 CG LYS A 13 2.535 10.568 -10.797 1.00 0.00 C ATOM 144 CD LYS A 13 3.402 9.478 -11.404 1.00 0.00 C ATOM 145 CE LYS A 13 2.611 8.609 -12.370 1.00 0.00 C ATOM 146 NZ LYS A 13 2.193 9.367 -13.582 1.00 0.00 N ATOM 0 H LYS A 13 1.743 12.253 -7.911 1.00 0.00 H new ATOM 0 HA LYS A 13 0.018 11.029 -9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.639 10.194 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.634 9.061 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.754 10.849 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.139 11.458 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.244 9.931 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.816 8.857 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.216 7.753 -12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.729 8.215 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.050 8.706 -14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.305 9.871 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.933 10.053 -13.834 1.00 0.00 H new ATOM 160 N PRO A 14 -1.457 10.137 -8.180 1.00 0.00 N ATOM 161 CA PRO A 14 -2.345 9.458 -7.231 1.00 0.00 C ATOM 162 C PRO A 14 -2.202 7.941 -7.286 1.00 0.00 C ATOM 163 O PRO A 14 -1.769 7.384 -8.296 1.00 0.00 O ATOM 164 CB PRO A 14 -3.743 9.880 -7.690 1.00 0.00 C ATOM 165 CG PRO A 14 -3.587 10.199 -9.137 1.00 0.00 C ATOM 166 CD PRO A 14 -2.199 10.757 -9.291 1.00 0.00 C ATOM 0 HA PRO A 14 -2.120 9.727 -6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.468 9.081 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.099 10.745 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.719 9.307 -9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.336 10.922 -9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.767 10.498 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.193 11.845 -9.221 1.00 0.00 H new ATOM 174 N LEU A 15 -2.567 7.278 -6.195 1.00 0.00 N ATOM 175 CA LEU A 15 -2.479 5.823 -6.118 1.00 0.00 C ATOM 176 C LEU A 15 -3.458 5.168 -7.087 1.00 0.00 C ATOM 177 O LEU A 15 -4.443 5.780 -7.498 1.00 0.00 O ATOM 178 CB LEU A 15 -2.761 5.350 -4.691 1.00 0.00 C ATOM 179 CG LEU A 15 -1.860 5.930 -3.601 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.408 5.598 -2.222 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.438 5.408 -3.751 1.00 0.00 C ATOM 0 H LEU A 15 -2.927 7.724 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.467 5.528 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.795 5.593 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.674 4.264 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.842 7.014 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.753 6.019 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.407 6.021 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.457 4.516 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.190 5.831 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.439 4.321 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.045 5.697 -4.726 1.00 0.00 H new ATOM 193 N GLU A 16 -3.181 3.917 -7.444 1.00 0.00 N ATOM 194 CA GLU A 16 -4.039 3.178 -8.363 1.00 0.00 C ATOM 195 C GLU A 16 -4.596 1.924 -7.697 1.00 0.00 C ATOM 196 O GLU A 16 -4.234 1.595 -6.568 1.00 0.00 O ATOM 197 CB GLU A 16 -3.262 2.797 -9.626 1.00 0.00 C ATOM 198 CG GLU A 16 -2.819 3.993 -10.452 1.00 0.00 C ATOM 199 CD GLU A 16 -1.554 4.635 -9.918 1.00 0.00 C ATOM 200 OE1 GLU A 16 -0.764 3.930 -9.257 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.355 5.844 -10.162 1.00 0.00 O ATOM 0 H GLU A 16 -2.370 3.395 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.873 3.823 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.384 2.217 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.884 2.150 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.655 3.677 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.618 4.734 -10.469 1.00 0.00 H new ATOM 208 N ASP A 17 -5.479 1.228 -8.406 1.00 0.00 N ATOM 209 CA ASP A 17 -6.086 0.009 -7.885 1.00 0.00 C ATOM 210 C ASP A 17 -5.186 -1.197 -8.135 1.00 0.00 C ATOM 211 O ASP A 17 -4.530 -1.288 -9.171 1.00 0.00 O ATOM 212 CB ASP A 17 -7.455 -0.219 -8.528 1.00 0.00 C ATOM 213 CG ASP A 17 -8.458 0.854 -8.150 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.771 0.976 -6.948 1.00 0.00 O ATOM 215 OD2 ASP A 17 -8.930 1.571 -9.058 1.00 0.00 O ATOM 0 H ASP A 17 -5.790 1.487 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.213 0.127 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.345 -0.243 -9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.838 -1.193 -8.225 1.00 0.00 H new ATOM 220 N GLN A 18 -5.161 -2.118 -7.177 1.00 0.00 N ATOM 221 CA GLN A 18 -4.340 -3.318 -7.294 1.00 0.00 C ATOM 222 C GLN A 18 -5.184 -4.575 -7.113 1.00 0.00 C ATOM 223 O GLN A 18 -5.964 -4.680 -6.168 1.00 0.00 O ATOM 224 CB GLN A 18 -3.213 -3.292 -6.259 1.00 0.00 C ATOM 225 CG GLN A 18 -1.945 -2.619 -6.756 1.00 0.00 C ATOM 226 CD GLN A 18 -2.103 -1.119 -6.912 1.00 0.00 C ATOM 227 OE1 GLN A 18 -3.128 -0.549 -6.538 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.085 -0.471 -7.466 1.00 0.00 N ATOM 0 H GLN A 18 -5.699 -2.057 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.906 -3.335 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.563 -2.774 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.979 -4.315 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.132 -2.824 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.660 -3.052 -7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.254 -0.984 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.134 0.540 -7.596 1.00 0.00 H new ATOM 237 N TRP A 19 -5.021 -5.526 -8.026 1.00 0.00 N ATOM 238 CA TRP A 19 -5.769 -6.777 -7.968 1.00 0.00 C ATOM 239 C TRP A 19 -4.832 -7.962 -7.767 1.00 0.00 C ATOM 240 O TRP A 19 -4.109 -8.357 -8.682 1.00 0.00 O ATOM 241 CB TRP A 19 -6.585 -6.967 -9.247 1.00 0.00 C ATOM 242 CG TRP A 19 -7.641 -5.920 -9.440 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.942 -5.983 -9.028 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.485 -4.656 -10.093 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.604 -4.834 -9.387 1.00 0.00 N ATOM 246 CE2 TRP A 19 -8.732 -4.003 -10.041 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.413 -4.011 -10.716 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -8.934 -2.739 -10.588 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -6.616 -2.756 -11.259 1.00 0.00 C ATOM 250 CH2 TRP A 19 -7.868 -2.131 -11.192 1.00 0.00 C ATOM 0 H TRP A 19 -4.378 -5.455 -8.815 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.448 -6.726 -7.117 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.912 -6.956 -10.104 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -7.057 -7.949 -9.226 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.385 -6.814 -8.498 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.586 -4.632 -9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.444 -4.484 -10.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -9.898 -2.255 -10.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -5.795 -2.248 -11.743 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -7.994 -1.150 -11.626 1.00 0.00 H new ATOM 261 N VAL A 20 -4.849 -8.528 -6.564 1.00 0.00 N ATOM 262 CA VAL A 20 -4.001 -9.670 -6.244 1.00 0.00 C ATOM 263 C VAL A 20 -4.809 -10.789 -5.596 1.00 0.00 C ATOM 264 O VAL A 20 -6.030 -10.698 -5.476 1.00 0.00 O ATOM 265 CB VAL A 20 -2.851 -9.269 -5.302 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.085 -8.084 -5.868 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.387 -8.954 -3.913 1.00 0.00 C ATOM 0 H VAL A 20 -5.441 -8.214 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.581 -10.027 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.162 -10.109 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.276 -7.815 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.669 -8.350 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.760 -7.236 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.561 -8.672 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.098 -8.130 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.887 -9.834 -3.508 1.00 0.00 H new ATOM 277 N ALA A 21 -4.117 -11.844 -5.178 1.00 0.00 N ATOM 278 CA ALA A 21 -4.769 -12.981 -4.539 1.00 0.00 C ATOM 279 C ALA A 21 -4.560 -12.956 -3.029 1.00 0.00 C ATOM 280 O ALA A 21 -3.670 -12.280 -2.512 1.00 0.00 O ATOM 281 CB ALA A 21 -4.249 -14.285 -5.124 1.00 0.00 C ATOM 0 H ALA A 21 -3.105 -11.935 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.839 -12.910 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.745 -15.125 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.456 -14.312 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.174 -14.354 -4.960 1.00 0.00 H new ATOM 287 N PRO A 22 -5.399 -13.708 -2.302 1.00 0.00 N ATOM 288 CA PRO A 22 -5.326 -13.789 -0.840 1.00 0.00 C ATOM 289 C PRO A 22 -4.085 -14.536 -0.362 1.00 0.00 C ATOM 290 O PRO A 22 -4.121 -15.747 -0.151 1.00 0.00 O ATOM 291 CB PRO A 22 -6.593 -14.561 -0.463 1.00 0.00 C ATOM 292 CG PRO A 22 -6.920 -15.366 -1.673 1.00 0.00 C ATOM 293 CD PRO A 22 -6.484 -14.539 -2.851 1.00 0.00 C ATOM 0 HA PRO A 22 -5.259 -12.803 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.424 -15.200 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.408 -13.884 -0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.401 -16.325 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.987 -15.582 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.135 -15.164 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.300 -13.929 -3.238 1.00 0.00 H new ATOM 301 N GLY A 23 -2.988 -13.804 -0.192 1.00 0.00 N ATOM 302 CA GLY A 23 -1.752 -14.415 0.260 1.00 0.00 C ATOM 303 C GLY A 23 -0.526 -13.757 -0.341 1.00 0.00 C ATOM 304 O GLY A 23 0.596 -14.000 0.101 1.00 0.00 O ATOM 0 H GLY A 23 -2.933 -12.799 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.697 -14.355 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.757 -15.473 -0.001 1.00 0.00 H new ATOM 308 N GLU A 24 -0.741 -12.922 -1.353 1.00 0.00 N ATOM 309 CA GLU A 24 0.357 -12.229 -2.017 1.00 0.00 C ATOM 310 C GLU A 24 0.602 -10.863 -1.383 1.00 0.00 C ATOM 311 O GLU A 24 -0.125 -10.447 -0.481 1.00 0.00 O ATOM 312 CB GLU A 24 0.058 -12.065 -3.509 1.00 0.00 C ATOM 313 CG GLU A 24 -0.353 -13.358 -4.193 1.00 0.00 C ATOM 314 CD GLU A 24 0.022 -13.385 -5.662 1.00 0.00 C ATOM 315 OE1 GLU A 24 0.900 -12.594 -6.066 1.00 0.00 O ATOM 316 OE2 GLU A 24 -0.564 -14.198 -6.408 1.00 0.00 O ATOM 0 H GLU A 24 -1.664 -12.709 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 24 1.257 -12.832 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.737 -11.330 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.942 -11.666 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.119 -14.199 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.430 -13.490 -4.094 1.00 0.00 H new ATOM 323 N ASP A 25 1.630 -10.171 -1.861 1.00 0.00 N ATOM 324 CA ASP A 25 1.971 -8.851 -1.342 1.00 0.00 C ATOM 325 C ASP A 25 1.450 -7.754 -2.264 1.00 0.00 C ATOM 326 O ASP A 25 1.248 -7.975 -3.458 1.00 0.00 O ATOM 327 CB ASP A 25 3.486 -8.720 -1.178 1.00 0.00 C ATOM 328 CG ASP A 25 4.232 -8.971 -2.473 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.583 -10.139 -2.740 1.00 0.00 O ATOM 330 OD2 ASP A 25 4.467 -7.998 -3.221 1.00 0.00 O ATOM 0 H ASP A 25 2.242 -10.502 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 25 1.497 -8.737 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.724 -7.721 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.829 -9.426 -0.422 1.00 0.00 H new ATOM 335 N VAL A 26 1.232 -6.569 -1.701 1.00 0.00 N ATOM 336 CA VAL A 26 0.734 -5.436 -2.472 1.00 0.00 C ATOM 337 C VAL A 26 1.608 -4.204 -2.265 1.00 0.00 C ATOM 338 O VAL A 26 2.014 -3.901 -1.144 1.00 0.00 O ATOM 339 CB VAL A 26 -0.718 -5.092 -2.091 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.157 -3.803 -2.769 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.649 -6.239 -2.453 1.00 0.00 C ATOM 0 H VAL A 26 1.393 -6.369 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 26 0.766 -5.729 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.767 -4.941 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.185 -3.576 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.506 -2.987 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.094 -3.921 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.671 -5.979 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.599 -6.424 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.345 -7.137 -1.916 1.00 0.00 H new ATOM 351 N GLU A 27 1.893 -3.497 -3.355 1.00 0.00 N ATOM 352 CA GLU A 27 2.719 -2.297 -3.292 1.00 0.00 C ATOM 353 C GLU A 27 2.001 -1.109 -3.925 1.00 0.00 C ATOM 354 O GLU A 27 1.416 -1.224 -5.002 1.00 0.00 O ATOM 355 CB GLU A 27 4.056 -2.535 -3.997 1.00 0.00 C ATOM 356 CG GLU A 27 4.822 -3.733 -3.463 1.00 0.00 C ATOM 357 CD GLU A 27 6.000 -4.110 -4.339 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.795 -4.306 -5.556 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.127 -4.210 -3.810 1.00 0.00 O ATOM 0 H GLU A 27 1.564 -3.735 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 27 2.905 -2.069 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.875 -2.676 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.675 -1.644 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.178 -3.512 -2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.147 -4.585 -3.383 1.00 0.00 H new ATOM 366 N LEU A 28 2.051 0.033 -3.248 1.00 0.00 N ATOM 367 CA LEU A 28 1.405 1.244 -3.742 1.00 0.00 C ATOM 368 C LEU A 28 2.369 2.427 -3.710 1.00 0.00 C ATOM 369 O LEU A 28 2.554 3.061 -2.672 1.00 0.00 O ATOM 370 CB LEU A 28 0.163 1.561 -2.908 1.00 0.00 C ATOM 371 CG LEU A 28 -0.848 0.425 -2.752 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.620 0.573 -1.450 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.801 0.393 -3.938 1.00 0.00 C ATOM 0 H LEU A 28 2.532 0.146 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 28 1.105 1.070 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.487 1.872 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.345 2.413 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.304 -0.519 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.335 -0.244 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.926 0.546 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.153 1.524 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.514 -0.422 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.339 1.339 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.234 0.239 -4.856 1.00 0.00 H new ATOM 385 N ARG A 29 2.978 2.718 -4.855 1.00 0.00 N ATOM 386 CA ARG A 29 3.921 3.825 -4.958 1.00 0.00 C ATOM 387 C ARG A 29 3.200 5.123 -5.308 1.00 0.00 C ATOM 388 O ARG A 29 2.140 5.106 -5.935 1.00 0.00 O ATOM 389 CB ARG A 29 4.985 3.519 -6.015 1.00 0.00 C ATOM 390 CG ARG A 29 6.217 2.827 -5.456 1.00 0.00 C ATOM 391 CD ARG A 29 7.381 2.888 -6.432 1.00 0.00 C ATOM 392 NE ARG A 29 7.771 4.263 -6.733 1.00 0.00 N ATOM 393 CZ ARG A 29 8.968 4.603 -7.200 1.00 0.00 C ATOM 394 NH1 ARG A 29 9.886 3.672 -7.418 1.00 0.00 N ATOM 395 NH2 ARG A 29 9.247 5.876 -7.450 1.00 0.00 N ATOM 0 H ARG A 29 2.835 2.203 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 29 4.405 3.949 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.545 2.890 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.288 4.450 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.504 3.297 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.982 1.786 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.233 2.353 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.107 2.378 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 29 7.087 5.003 -6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.674 2.693 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.804 3.935 -7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.543 6.595 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.166 6.136 -7.808 1.00 0.00 H new ATOM 409 N CYS A 30 3.781 6.245 -4.898 1.00 0.00 N ATOM 410 CA CYS A 30 3.193 7.553 -5.167 1.00 0.00 C ATOM 411 C CYS A 30 4.269 8.564 -5.549 1.00 0.00 C ATOM 412 O CYS A 30 5.446 8.222 -5.655 1.00 0.00 O ATOM 413 CB CYS A 30 2.420 8.049 -3.944 1.00 0.00 C ATOM 414 SG CYS A 30 3.425 8.979 -2.763 1.00 0.00 S ATOM 0 H CYS A 30 4.658 6.276 -4.378 1.00 0.00 H new ATOM 0 HA CYS A 30 2.504 7.449 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.596 8.679 -4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.979 7.192 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 30 2.683 9.357 -1.765 1.00 0.00 H new ATOM 420 N GLU A 31 3.855 9.811 -5.755 1.00 0.00 N ATOM 421 CA GLU A 31 4.784 10.871 -6.128 1.00 0.00 C ATOM 422 C GLU A 31 4.434 12.175 -5.417 1.00 0.00 C ATOM 423 O GLU A 31 3.263 12.465 -5.166 1.00 0.00 O ATOM 424 CB GLU A 31 4.768 11.084 -7.643 1.00 0.00 C ATOM 425 CG GLU A 31 5.985 11.828 -8.166 1.00 0.00 C ATOM 426 CD GLU A 31 6.317 11.468 -9.601 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.904 10.388 -9.822 1.00 0.00 O ATOM 428 OE2 GLU A 31 5.990 12.267 -10.503 1.00 0.00 O ATOM 0 H GLU A 31 2.884 10.111 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 31 5.785 10.567 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.705 10.114 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.870 11.638 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.808 12.901 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.843 11.605 -7.532 1.00 0.00 H new ATOM 435 N LEU A 32 5.457 12.958 -5.093 1.00 0.00 N ATOM 436 CA LEU A 32 5.260 14.232 -4.410 1.00 0.00 C ATOM 437 C LEU A 32 6.013 15.353 -5.120 1.00 0.00 C ATOM 438 O LEU A 32 7.194 15.217 -5.438 1.00 0.00 O ATOM 439 CB LEU A 32 5.725 14.131 -2.956 1.00 0.00 C ATOM 440 CG LEU A 32 5.403 12.820 -2.238 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.321 12.628 -1.041 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.944 12.795 -1.804 1.00 0.00 C ATOM 0 H LEU A 32 6.432 12.733 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 32 4.195 14.465 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.804 14.281 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.276 14.950 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 32 5.569 11.996 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.077 11.690 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.357 12.601 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.187 13.455 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.732 11.855 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.752 13.627 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.302 12.886 -2.680 1.00 0.00 H new ATOM 454 N SER A 33 5.321 16.462 -5.364 1.00 0.00 N ATOM 455 CA SER A 33 5.923 17.606 -6.037 1.00 0.00 C ATOM 456 C SER A 33 7.196 18.049 -5.322 1.00 0.00 C ATOM 457 O SER A 33 8.083 18.652 -5.927 1.00 0.00 O ATOM 458 CB SER A 33 4.930 18.768 -6.101 1.00 0.00 C ATOM 459 OG SER A 33 5.516 19.907 -6.706 1.00 0.00 O ATOM 0 H SER A 33 4.343 16.592 -5.105 1.00 0.00 H new ATOM 0 HA SER A 33 6.183 17.304 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.048 18.466 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.594 19.019 -5.095 1.00 0.00 H new ATOM 0 HG SER A 33 5.655 20.602 -6.029 1.00 0.00 H new ATOM 465 N ARG A 34 7.279 17.744 -4.031 1.00 0.00 N ATOM 466 CA ARG A 34 8.442 18.111 -3.233 1.00 0.00 C ATOM 467 C ARG A 34 8.789 17.007 -2.238 1.00 0.00 C ATOM 468 O ARG A 34 7.903 16.383 -1.655 1.00 0.00 O ATOM 469 CB ARG A 34 8.182 19.421 -2.487 1.00 0.00 C ATOM 470 CG ARG A 34 9.224 19.735 -1.425 1.00 0.00 C ATOM 471 CD ARG A 34 8.796 20.904 -0.553 1.00 0.00 C ATOM 472 NE ARG A 34 9.938 21.573 0.065 1.00 0.00 N ATOM 473 CZ ARG A 34 9.863 22.762 0.653 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.707 23.410 0.702 1.00 0.00 N ATOM 475 NH2 ARG A 34 10.947 23.306 1.193 1.00 0.00 N ATOM 0 H ARG A 34 6.555 17.244 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 34 9.287 18.247 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.151 20.239 -3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.200 19.373 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.387 18.855 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.175 19.966 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.239 21.621 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.120 20.548 0.225 1.00 0.00 H new ATOM 0 HE ARG A 34 10.842 21.102 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.872 22.996 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.653 24.323 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.838 22.811 1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.889 24.219 1.644 1.00 0.00 H new ATOM 489 N ALA A 35 10.083 16.772 -2.051 1.00 0.00 N ATOM 490 CA ALA A 35 10.547 15.745 -1.126 1.00 0.00 C ATOM 491 C ALA A 35 10.231 16.122 0.317 1.00 0.00 C ATOM 492 O ALA A 35 9.597 17.145 0.577 1.00 0.00 O ATOM 493 CB ALA A 35 12.041 15.516 -1.298 1.00 0.00 C ATOM 0 H ALA A 35 10.829 17.279 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 35 10.019 14.819 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.374 14.747 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.244 15.193 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.577 16.444 -1.097 1.00 0.00 H new ATOM 499 N GLY A 36 10.675 15.289 1.253 1.00 0.00 N ATOM 500 CA GLY A 36 10.428 15.552 2.659 1.00 0.00 C ATOM 501 C GLY A 36 8.953 15.706 2.969 1.00 0.00 C ATOM 502 O GLY A 36 8.583 16.245 4.013 1.00 0.00 O ATOM 0 H GLY A 36 11.202 14.436 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.838 14.737 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.955 16.460 2.954 1.00 0.00 H new ATOM 506 N THR A 37 8.106 15.234 2.060 1.00 0.00 N ATOM 507 CA THR A 37 6.662 15.324 2.241 1.00 0.00 C ATOM 508 C THR A 37 6.102 14.041 2.845 1.00 0.00 C ATOM 509 O THR A 37 5.978 13.015 2.177 1.00 0.00 O ATOM 510 CB THR A 37 5.946 15.605 0.906 1.00 0.00 C ATOM 511 OG1 THR A 37 6.483 16.786 0.301 1.00 0.00 O ATOM 512 CG2 THR A 37 4.449 15.775 1.121 1.00 0.00 C ATOM 0 H THR A 37 8.395 14.785 1.191 1.00 0.00 H new ATOM 0 HA THR A 37 6.480 16.153 2.925 1.00 0.00 H new ATOM 0 HB THR A 37 6.108 14.753 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.654 16.618 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.964 15.973 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.038 14.863 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.271 16.611 1.797 1.00 0.00 H new ATOM 520 N PRO A 38 5.755 14.098 4.139 1.00 0.00 N ATOM 521 CA PRO A 38 5.201 12.949 4.862 1.00 0.00 C ATOM 522 C PRO A 38 3.792 12.598 4.398 1.00 0.00 C ATOM 523 O PRO A 38 3.008 13.477 4.040 1.00 0.00 O ATOM 524 CB PRO A 38 5.183 13.421 6.318 1.00 0.00 C ATOM 525 CG PRO A 38 5.111 14.907 6.234 1.00 0.00 C ATOM 526 CD PRO A 38 5.876 15.289 4.997 1.00 0.00 C ATOM 0 HA PRO A 38 5.787 12.044 4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.327 13.013 6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.078 13.097 6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.076 15.245 6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.546 15.370 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.453 16.173 4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.918 15.517 5.223 1.00 0.00 H new ATOM 534 N VAL A 39 3.475 11.307 4.407 1.00 0.00 N ATOM 535 CA VAL A 39 2.159 10.839 3.989 1.00 0.00 C ATOM 536 C VAL A 39 1.355 10.325 5.178 1.00 0.00 C ATOM 537 O VAL A 39 1.905 10.073 6.251 1.00 0.00 O ATOM 538 CB VAL A 39 2.269 9.721 2.936 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.596 8.392 3.600 1.00 0.00 C ATOM 540 CG2 VAL A 39 0.984 9.621 2.129 1.00 0.00 C ATOM 0 H VAL A 39 4.112 10.566 4.699 1.00 0.00 H new ATOM 0 HA VAL A 39 1.645 11.693 3.549 1.00 0.00 H new ATOM 0 HB VAL A 39 3.082 9.968 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.670 7.614 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.545 8.474 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.807 8.135 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.080 8.826 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.152 9.398 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.798 10.568 1.622 1.00 0.00 H new ATOM 550 N HIS A 40 0.050 10.171 4.981 1.00 0.00 N ATOM 551 CA HIS A 40 -0.831 9.686 6.037 1.00 0.00 C ATOM 552 C HIS A 40 -1.703 8.539 5.533 1.00 0.00 C ATOM 553 O HIS A 40 -2.873 8.734 5.205 1.00 0.00 O ATOM 554 CB HIS A 40 -1.713 10.821 6.557 1.00 0.00 C ATOM 555 CG HIS A 40 -2.054 10.698 8.010 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.394 11.777 8.798 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.107 9.613 8.818 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.641 11.361 10.027 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.474 10.052 10.066 1.00 0.00 N ATOM 0 H HIS A 40 -0.421 10.375 4.100 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.210 9.316 6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.204 11.771 6.391 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.635 10.848 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.899 8.592 8.534 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.931 11.986 10.859 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.598 9.463 10.889 1.00 0.00 H new ATOM 568 N TRP A 41 -1.124 7.345 5.474 1.00 0.00 N ATOM 569 CA TRP A 41 -1.848 6.167 5.010 1.00 0.00 C ATOM 570 C TRP A 41 -3.045 5.875 5.907 1.00 0.00 C ATOM 571 O TRP A 41 -2.885 5.508 7.072 1.00 0.00 O ATOM 572 CB TRP A 41 -0.918 4.954 4.968 1.00 0.00 C ATOM 573 CG TRP A 41 0.206 5.100 3.987 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.461 5.573 4.242 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.174 4.773 2.593 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.212 5.559 3.092 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.445 5.072 2.066 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.804 4.255 1.740 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.761 4.871 0.725 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.490 4.057 0.409 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.784 4.363 -0.088 1.00 0.00 C ATOM 0 H TRP A 41 -0.156 7.167 5.741 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.213 6.370 4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.503 4.789 5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.500 4.068 4.714 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.812 5.909 5.207 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.183 5.862 3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.788 4.014 2.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.742 5.107 0.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.239 3.660 -0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.999 4.195 -1.133 1.00 0.00 H new ATOM 592 N LEU A 42 -4.244 6.039 5.359 1.00 0.00 N ATOM 593 CA LEU A 42 -5.470 5.792 6.112 1.00 0.00 C ATOM 594 C LEU A 42 -6.220 4.589 5.550 1.00 0.00 C ATOM 595 O LEU A 42 -6.485 4.513 4.350 1.00 0.00 O ATOM 596 CB LEU A 42 -6.369 7.029 6.080 1.00 0.00 C ATOM 597 CG LEU A 42 -5.753 8.321 6.619 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.340 9.529 5.907 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.967 8.428 8.122 1.00 0.00 C ATOM 0 H LEU A 42 -4.394 6.342 4.397 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.196 5.576 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.680 7.201 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.271 6.813 6.653 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.680 8.298 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.890 10.439 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.134 9.458 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.418 9.558 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.522 9.353 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.035 8.429 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.497 7.579 8.618 1.00 0.00 H new ATOM 611 N LYS A 43 -6.563 3.650 6.426 1.00 0.00 N ATOM 612 CA LYS A 43 -7.287 2.452 6.019 1.00 0.00 C ATOM 613 C LYS A 43 -8.692 2.437 6.612 1.00 0.00 C ATOM 614 O LYS A 43 -8.874 2.159 7.797 1.00 0.00 O ATOM 615 CB LYS A 43 -6.525 1.198 6.456 1.00 0.00 C ATOM 616 CG LYS A 43 -7.300 -0.090 6.239 1.00 0.00 C ATOM 617 CD LYS A 43 -7.033 -0.677 4.863 1.00 0.00 C ATOM 618 CE LYS A 43 -7.191 -2.190 4.862 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.621 -2.598 4.934 1.00 0.00 N ATOM 0 H LYS A 43 -6.351 3.696 7.423 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.370 2.460 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.585 1.144 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.272 1.286 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.024 -0.815 7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.367 0.103 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.720 -0.238 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.024 -0.415 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.741 -2.602 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.650 -2.612 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.759 -3.239 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.217 -1.754 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.887 -3.086 4.055 1.00 0.00 H new ATOM 633 N ASP A 44 -9.684 2.738 5.780 1.00 0.00 N ATOM 634 CA ASP A 44 -11.073 2.757 6.221 1.00 0.00 C ATOM 635 C ASP A 44 -11.271 3.762 7.352 1.00 0.00 C ATOM 636 O ASP A 44 -11.923 3.465 8.353 1.00 0.00 O ATOM 637 CB ASP A 44 -11.504 1.363 6.681 1.00 0.00 C ATOM 638 CG ASP A 44 -12.992 1.129 6.505 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.756 1.440 7.442 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.391 0.637 5.429 1.00 0.00 O ATOM 0 H ASP A 44 -9.551 2.972 4.796 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.692 3.060 5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.952 0.611 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.240 1.232 7.731 1.00 0.00 H new ATOM 645 N ARG A 45 -10.701 4.951 7.185 1.00 0.00 N ATOM 646 CA ARG A 45 -10.813 5.999 8.193 1.00 0.00 C ATOM 647 C ARG A 45 -10.033 5.629 9.451 1.00 0.00 C ATOM 648 O ARG A 45 -10.509 5.823 10.570 1.00 0.00 O ATOM 649 CB ARG A 45 -12.281 6.245 8.544 1.00 0.00 C ATOM 650 CG ARG A 45 -13.174 6.435 7.329 1.00 0.00 C ATOM 651 CD ARG A 45 -13.264 7.899 6.927 1.00 0.00 C ATOM 652 NE ARG A 45 -14.222 8.634 7.748 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.385 9.951 7.686 1.00 0.00 C ATOM 654 NH1 ARG A 45 -13.657 10.673 6.846 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.277 10.548 8.466 1.00 0.00 N ATOM 0 H ARG A 45 -10.158 5.213 6.362 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.388 6.913 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.652 5.403 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.351 7.129 9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.785 5.851 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.172 6.054 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.281 8.361 7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.555 7.970 5.879 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.798 8.107 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.970 10.218 6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.784 11.684 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.838 9.996 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.401 11.559 8.417 1.00 0.00 H new ATOM 669 N LYS A 46 -8.831 5.095 9.260 1.00 0.00 N ATOM 670 CA LYS A 46 -7.984 4.697 10.378 1.00 0.00 C ATOM 671 C LYS A 46 -6.510 4.908 10.045 1.00 0.00 C ATOM 672 O LYS A 46 -6.033 4.474 8.998 1.00 0.00 O ATOM 673 CB LYS A 46 -8.232 3.231 10.737 1.00 0.00 C ATOM 674 CG LYS A 46 -9.660 2.944 11.170 1.00 0.00 C ATOM 675 CD LYS A 46 -9.971 3.573 12.518 1.00 0.00 C ATOM 676 CE LYS A 46 -11.470 3.696 12.743 1.00 0.00 C ATOM 677 NZ LYS A 46 -12.061 2.424 13.243 1.00 0.00 N ATOM 0 H LYS A 46 -8.422 4.928 8.341 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.238 5.321 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.990 2.609 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.553 2.942 11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.352 3.327 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.815 1.866 11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.531 2.970 13.312 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.511 4.560 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.666 4.494 13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.955 3.980 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.084 2.548 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.897 1.668 12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.616 2.166 14.147 1.00 0.00 H new ATOM 691 N ALA A 47 -5.794 5.575 10.945 1.00 0.00 N ATOM 692 CA ALA A 47 -4.375 5.839 10.748 1.00 0.00 C ATOM 693 C ALA A 47 -3.583 4.540 10.647 1.00 0.00 C ATOM 694 O ALA A 47 -3.560 3.742 11.585 1.00 0.00 O ATOM 695 CB ALA A 47 -3.836 6.701 11.880 1.00 0.00 C ATOM 0 H ALA A 47 -6.174 5.942 11.817 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.259 6.379 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.775 6.890 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.374 7.649 11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.973 6.182 12.829 1.00 0.00 H new ATOM 701 N ILE A 48 -2.937 4.333 9.505 1.00 0.00 N ATOM 702 CA ILE A 48 -2.144 3.130 9.283 1.00 0.00 C ATOM 703 C ILE A 48 -0.786 3.233 9.968 1.00 0.00 C ATOM 704 O ILE A 48 -0.192 4.309 10.032 1.00 0.00 O ATOM 705 CB ILE A 48 -1.931 2.865 7.781 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.277 2.694 7.074 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.060 1.635 7.578 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.157 2.532 5.575 1.00 0.00 C ATOM 0 H ILE A 48 -2.947 4.983 8.719 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.703 2.299 9.714 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.420 3.724 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.786 1.823 7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.903 3.560 7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.919 1.461 6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.091 1.793 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.545 0.768 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.150 2.416 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.677 3.414 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.558 1.649 5.351 1.00 0.00 H new ATOM 720 N ARG A 49 -0.299 2.105 10.476 1.00 0.00 N ATOM 721 CA ARG A 49 0.991 2.068 11.155 1.00 0.00 C ATOM 722 C ARG A 49 2.043 1.385 10.287 1.00 0.00 C ATOM 723 O ARG A 49 1.716 0.712 9.309 1.00 0.00 O ATOM 724 CB ARG A 49 0.865 1.336 12.493 1.00 0.00 C ATOM 725 CG ARG A 49 0.054 2.097 13.529 1.00 0.00 C ATOM 726 CD ARG A 49 0.904 3.129 14.254 1.00 0.00 C ATOM 727 NE ARG A 49 0.123 3.904 15.214 1.00 0.00 N ATOM 728 CZ ARG A 49 0.610 4.936 15.895 1.00 0.00 C ATOM 729 NH1 ARG A 49 1.869 5.315 15.721 1.00 0.00 N ATOM 730 NH2 ARG A 49 -0.163 5.592 16.751 1.00 0.00 N ATOM 0 H ARG A 49 -0.778 1.206 10.430 1.00 0.00 H new ATOM 0 HA ARG A 49 1.307 3.095 11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.402 0.364 12.324 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.863 1.149 12.891 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.786 2.593 13.043 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.364 1.396 14.252 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.721 2.626 14.773 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.356 3.803 13.526 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.849 3.639 15.370 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.466 4.814 15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.240 6.107 16.245 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.132 5.304 16.887 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.212 6.384 17.273 1.00 0.00 H new ATOM 744 N LYS A 50 3.309 1.564 10.650 1.00 0.00 N ATOM 745 CA LYS A 50 4.411 0.966 9.906 1.00 0.00 C ATOM 746 C LYS A 50 5.000 -0.220 10.665 1.00 0.00 C ATOM 747 O LYS A 50 5.607 -0.052 11.722 1.00 0.00 O ATOM 748 CB LYS A 50 5.500 2.007 9.641 1.00 0.00 C ATOM 749 CG LYS A 50 6.744 1.434 8.984 1.00 0.00 C ATOM 750 CD LYS A 50 7.749 2.523 8.648 1.00 0.00 C ATOM 751 CE LYS A 50 8.719 2.759 9.795 1.00 0.00 C ATOM 752 NZ LYS A 50 8.220 3.797 10.739 1.00 0.00 N ATOM 0 H LYS A 50 3.597 2.119 11.456 1.00 0.00 H new ATOM 0 HA LYS A 50 4.021 0.608 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.093 2.792 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.781 2.475 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.205 0.705 9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.464 0.903 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.304 2.244 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.221 3.449 8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.879 1.825 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.686 3.066 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.834 4.635 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.249 4.064 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.228 3.418 11.708 1.00 0.00 H new ATOM 766 N SER A 51 4.817 -1.417 10.117 1.00 0.00 N ATOM 767 CA SER A 51 5.328 -2.630 10.744 1.00 0.00 C ATOM 768 C SER A 51 5.459 -3.756 9.722 1.00 0.00 C ATOM 769 O SER A 51 5.177 -3.569 8.539 1.00 0.00 O ATOM 770 CB SER A 51 4.408 -3.066 11.886 1.00 0.00 C ATOM 771 OG SER A 51 5.135 -3.744 12.896 1.00 0.00 O ATOM 0 H SER A 51 4.319 -1.573 9.241 1.00 0.00 H new ATOM 0 HA SER A 51 6.317 -2.412 11.147 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.914 -2.193 12.313 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.625 -3.717 11.498 1.00 0.00 H new ATOM 0 HG SER A 51 4.525 -4.011 13.615 1.00 0.00 H new ATOM 777 N GLN A 52 5.887 -4.924 10.190 1.00 0.00 N ATOM 778 CA GLN A 52 6.056 -6.080 9.317 1.00 0.00 C ATOM 779 C GLN A 52 4.904 -6.184 8.323 1.00 0.00 C ATOM 780 O GLN A 52 5.098 -6.566 7.169 1.00 0.00 O ATOM 781 CB GLN A 52 6.148 -7.362 10.146 1.00 0.00 C ATOM 782 CG GLN A 52 4.921 -7.619 11.007 1.00 0.00 C ATOM 783 CD GLN A 52 5.034 -8.895 11.818 1.00 0.00 C ATOM 784 OE1 GLN A 52 5.928 -9.711 11.591 1.00 0.00 O ATOM 785 NE2 GLN A 52 4.126 -9.074 12.770 1.00 0.00 N ATOM 0 H GLN A 52 6.123 -5.095 11.168 1.00 0.00 H new ATOM 0 HA GLN A 52 6.983 -5.950 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.295 -8.209 9.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.027 -7.307 10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.772 -6.776 11.682 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.039 -7.676 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.403 -8.371 12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.152 -9.914 13.348 1.00 0.00 H new ATOM 794 N LYS A 53 3.703 -5.843 8.779 1.00 0.00 N ATOM 795 CA LYS A 53 2.519 -5.897 7.930 1.00 0.00 C ATOM 796 C LYS A 53 2.523 -4.758 6.916 1.00 0.00 C ATOM 797 O LYS A 53 2.572 -4.989 5.708 1.00 0.00 O ATOM 798 CB LYS A 53 1.251 -5.829 8.784 1.00 0.00 C ATOM 799 CG LYS A 53 -0.027 -5.734 7.969 1.00 0.00 C ATOM 800 CD LYS A 53 -0.092 -6.819 6.906 1.00 0.00 C ATOM 801 CE LYS A 53 -1.528 -7.219 6.605 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.183 -6.268 5.665 1.00 0.00 N ATOM 0 H LYS A 53 3.524 -5.526 9.732 1.00 0.00 H new ATOM 0 HA LYS A 53 2.535 -6.842 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.202 -6.714 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.315 -4.965 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.889 -5.819 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.085 -4.754 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.387 -6.465 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.467 -7.692 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.544 -8.221 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.096 -7.260 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.124 -6.014 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.602 -5.410 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.281 -6.715 4.731 1.00 0.00 H new ATOM 816 N TYR A 54 2.474 -3.528 7.415 1.00 0.00 N ATOM 817 CA TYR A 54 2.471 -2.352 6.552 1.00 0.00 C ATOM 818 C TYR A 54 3.844 -1.687 6.534 1.00 0.00 C ATOM 819 O TYR A 54 4.258 -1.065 7.512 1.00 0.00 O ATOM 820 CB TYR A 54 1.414 -1.352 7.021 1.00 0.00 C ATOM 821 CG TYR A 54 -0.001 -1.879 6.932 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.558 -2.226 5.708 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.779 -2.031 8.073 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.850 -2.707 5.622 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.072 -2.513 7.997 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.603 -2.849 6.769 1.00 0.00 C ATOM 827 OH TYR A 54 -3.890 -3.329 6.688 1.00 0.00 O ATOM 0 H TYR A 54 2.436 -3.319 8.413 1.00 0.00 H new ATOM 0 HA TYR A 54 2.230 -2.676 5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.624 -1.072 8.053 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.493 -0.445 6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.029 -2.118 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.366 -1.768 9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.268 -2.970 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.663 -2.626 8.894 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.281 -3.369 7.586 1.00 0.00 H new ATOM 837 N ASP A 55 4.545 -1.823 5.413 1.00 0.00 N ATOM 838 CA ASP A 55 5.871 -1.235 5.264 1.00 0.00 C ATOM 839 C ASP A 55 5.820 0.001 4.371 1.00 0.00 C ATOM 840 O ASP A 55 5.810 -0.107 3.144 1.00 0.00 O ATOM 841 CB ASP A 55 6.845 -2.260 4.682 1.00 0.00 C ATOM 842 CG ASP A 55 6.531 -3.675 5.129 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.157 -3.856 6.307 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.659 -4.600 4.300 1.00 0.00 O ATOM 0 H ASP A 55 4.217 -2.335 4.594 1.00 0.00 H new ATOM 0 HA ASP A 55 6.221 -0.934 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.813 -2.210 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.861 -2.004 4.983 1.00 0.00 H new ATOM 849 N VAL A 56 5.786 1.174 4.994 1.00 0.00 N ATOM 850 CA VAL A 56 5.736 2.431 4.255 1.00 0.00 C ATOM 851 C VAL A 56 7.139 2.945 3.951 1.00 0.00 C ATOM 852 O VAL A 56 7.909 3.255 4.859 1.00 0.00 O ATOM 853 CB VAL A 56 4.964 3.510 5.036 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.309 3.449 6.516 1.00 0.00 C ATOM 855 CG2 VAL A 56 5.258 4.891 4.469 1.00 0.00 C ATOM 0 H VAL A 56 5.792 1.281 6.008 1.00 0.00 H new ATOM 0 HA VAL A 56 5.215 2.228 3.319 1.00 0.00 H new ATOM 0 HB VAL A 56 3.897 3.317 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.754 4.219 7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.043 2.469 6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.378 3.615 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.704 5.641 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.326 5.096 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.955 4.927 3.423 1.00 0.00 H new ATOM 865 N VAL A 57 7.464 3.035 2.665 1.00 0.00 N ATOM 866 CA VAL A 57 8.773 3.514 2.239 1.00 0.00 C ATOM 867 C VAL A 57 8.712 4.976 1.812 1.00 0.00 C ATOM 868 O VAL A 57 8.627 5.283 0.622 1.00 0.00 O ATOM 869 CB VAL A 57 9.327 2.673 1.073 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.615 3.282 0.540 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.550 1.234 1.514 1.00 0.00 C ATOM 0 H VAL A 57 6.838 2.782 1.900 1.00 0.00 H new ATOM 0 HA VAL A 57 9.439 3.417 3.096 1.00 0.00 H new ATOM 0 HB VAL A 57 8.593 2.673 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.991 2.674 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.419 4.294 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.359 3.315 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.941 0.654 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.264 1.212 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.604 0.804 1.843 1.00 0.00 H new ATOM 881 N CYS A 58 8.755 5.874 2.789 1.00 0.00 N ATOM 882 CA CYS A 58 8.703 7.306 2.515 1.00 0.00 C ATOM 883 C CYS A 58 10.108 7.882 2.366 1.00 0.00 C ATOM 884 O CYS A 58 10.713 8.327 3.341 1.00 0.00 O ATOM 885 CB CYS A 58 7.956 8.034 3.633 1.00 0.00 C ATOM 886 SG CYS A 58 7.994 9.837 3.494 1.00 0.00 S ATOM 0 H CYS A 58 8.826 5.636 3.778 1.00 0.00 H new ATOM 0 HA CYS A 58 8.168 7.452 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.918 7.702 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.387 7.745 4.592 1.00 0.00 H new ATOM 0 HG CYS A 58 7.334 10.362 4.483 1.00 0.00 H new ATOM 892 N GLU A 59 10.620 7.868 1.139 1.00 0.00 N ATOM 893 CA GLU A 59 11.955 8.387 0.864 1.00 0.00 C ATOM 894 C GLU A 59 11.890 9.583 -0.081 1.00 0.00 C ATOM 895 O GLU A 59 11.850 9.424 -1.300 1.00 0.00 O ATOM 896 CB GLU A 59 12.837 7.293 0.259 1.00 0.00 C ATOM 897 CG GLU A 59 13.421 6.342 1.291 1.00 0.00 C ATOM 898 CD GLU A 59 14.651 6.906 1.974 1.00 0.00 C ATOM 899 OE1 GLU A 59 15.626 7.234 1.266 1.00 0.00 O ATOM 900 OE2 GLU A 59 14.639 7.020 3.218 1.00 0.00 O ATOM 0 H GLU A 59 10.132 7.504 0.321 1.00 0.00 H new ATOM 0 HA GLU A 59 12.391 8.715 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.250 6.721 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.652 7.760 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.664 6.118 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.679 5.400 0.807 1.00 0.00 H new ATOM 907 N GLY A 60 11.878 10.783 0.492 1.00 0.00 N ATOM 908 CA GLY A 60 11.817 11.989 -0.313 1.00 0.00 C ATOM 909 C GLY A 60 10.542 12.077 -1.128 1.00 0.00 C ATOM 910 O GLY A 60 9.441 11.979 -0.587 1.00 0.00 O ATOM 0 H GLY A 60 11.909 10.941 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.890 12.861 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.676 12.019 -0.983 1.00 0.00 H new ATOM 914 N THR A 61 10.690 12.265 -2.436 1.00 0.00 N ATOM 915 CA THR A 61 9.542 12.370 -3.328 1.00 0.00 C ATOM 916 C THR A 61 9.096 10.995 -3.813 1.00 0.00 C ATOM 917 O THR A 61 8.695 10.834 -4.965 1.00 0.00 O ATOM 918 CB THR A 61 9.858 13.255 -4.549 1.00 0.00 C ATOM 919 OG1 THR A 61 10.956 12.702 -5.284 1.00 0.00 O ATOM 920 CG2 THR A 61 10.194 14.674 -4.116 1.00 0.00 C ATOM 0 H THR A 61 11.594 12.348 -2.901 1.00 0.00 H new ATOM 0 HA THR A 61 8.737 12.829 -2.755 1.00 0.00 H new ATOM 0 HB THR A 61 8.974 13.286 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.149 13.269 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.414 15.280 -4.995 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.345 15.102 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.064 14.658 -3.460 1.00 0.00 H new ATOM 928 N MET A 62 9.168 10.008 -2.927 1.00 0.00 N ATOM 929 CA MET A 62 8.769 8.647 -3.265 1.00 0.00 C ATOM 930 C MET A 62 8.275 7.902 -2.029 1.00 0.00 C ATOM 931 O MET A 62 9.068 7.492 -1.182 1.00 0.00 O ATOM 932 CB MET A 62 9.940 7.891 -3.897 1.00 0.00 C ATOM 933 CG MET A 62 9.649 6.421 -4.149 1.00 0.00 C ATOM 934 SD MET A 62 7.910 6.109 -4.513 1.00 0.00 S ATOM 935 CE MET A 62 7.472 5.019 -3.161 1.00 0.00 C ATOM 0 H MET A 62 9.499 10.125 -1.969 1.00 0.00 H new ATOM 0 HA MET A 62 7.952 8.703 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.202 8.368 -4.841 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.810 7.974 -3.245 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.259 6.072 -4.982 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.943 5.841 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.393 4.865 -3.153 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.975 4.060 -3.289 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.781 5.468 -2.217 1.00 0.00 H new ATOM 945 N ALA A 63 6.961 7.730 -1.933 1.00 0.00 N ATOM 946 CA ALA A 63 6.362 7.033 -0.802 1.00 0.00 C ATOM 947 C ALA A 63 5.591 5.800 -1.262 1.00 0.00 C ATOM 948 O ALA A 63 4.739 5.883 -2.146 1.00 0.00 O ATOM 949 CB ALA A 63 5.448 7.971 -0.027 1.00 0.00 C ATOM 0 H ALA A 63 6.291 8.064 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 63 7.166 6.702 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.008 7.437 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.025 8.818 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.655 8.331 -0.683 1.00 0.00 H new ATOM 955 N MET A 64 5.897 4.657 -0.657 1.00 0.00 N ATOM 956 CA MET A 64 5.232 3.407 -1.005 1.00 0.00 C ATOM 957 C MET A 64 4.622 2.753 0.231 1.00 0.00 C ATOM 958 O MET A 64 4.889 3.166 1.360 1.00 0.00 O ATOM 959 CB MET A 64 6.220 2.446 -1.669 1.00 0.00 C ATOM 960 CG MET A 64 5.621 1.088 -1.996 1.00 0.00 C ATOM 961 SD MET A 64 6.735 0.052 -2.963 1.00 0.00 S ATOM 962 CE MET A 64 7.970 -0.360 -1.733 1.00 0.00 C ATOM 0 H MET A 64 6.601 4.571 0.076 1.00 0.00 H new ATOM 0 HA MET A 64 4.430 3.635 -1.707 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.594 2.899 -2.587 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.077 2.307 -1.010 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.367 0.575 -1.069 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.691 1.229 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.441 -1.308 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.726 0.424 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.495 -0.448 -0.756 1.00 0.00 H new ATOM 972 N LEU A 65 3.802 1.731 0.010 1.00 0.00 N ATOM 973 CA LEU A 65 3.154 1.020 1.107 1.00 0.00 C ATOM 974 C LEU A 65 3.046 -0.471 0.800 1.00 0.00 C ATOM 975 O LEU A 65 2.260 -0.884 -0.053 1.00 0.00 O ATOM 976 CB LEU A 65 1.763 1.601 1.366 1.00 0.00 C ATOM 977 CG LEU A 65 0.982 0.981 2.525 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.577 1.406 3.858 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.487 1.370 2.447 1.00 0.00 C ATOM 0 H LEU A 65 3.570 1.376 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 65 3.765 1.145 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.867 2.670 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.171 1.494 0.457 1.00 0.00 H new ATOM 0 HG LEU A 65 1.055 -0.104 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.008 0.955 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.614 1.077 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.536 2.492 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.027 0.920 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.579 2.455 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.908 1.014 1.507 1.00 0.00 H new ATOM 991 N VAL A 66 3.838 -1.274 1.504 1.00 0.00 N ATOM 992 CA VAL A 66 3.829 -2.718 1.310 1.00 0.00 C ATOM 993 C VAL A 66 2.830 -3.392 2.244 1.00 0.00 C ATOM 994 O VAL A 66 2.717 -3.028 3.415 1.00 0.00 O ATOM 995 CB VAL A 66 5.225 -3.325 1.545 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.264 -4.772 1.077 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.290 -2.499 0.839 1.00 0.00 C ATOM 0 H VAL A 66 4.494 -0.948 2.214 1.00 0.00 H new ATOM 0 HA VAL A 66 3.533 -2.896 0.276 1.00 0.00 H new ATOM 0 HB VAL A 66 5.434 -3.309 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.258 -5.184 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.528 -5.354 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.034 -4.816 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.270 -2.942 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.087 -2.482 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.277 -1.480 1.227 1.00 0.00 H new ATOM 1007 N ILE A 67 2.109 -4.377 1.719 1.00 0.00 N ATOM 1008 CA ILE A 67 1.120 -5.103 2.507 1.00 0.00 C ATOM 1009 C ILE A 67 1.420 -6.598 2.523 1.00 0.00 C ATOM 1010 O ILE A 67 1.040 -7.327 1.607 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.304 -4.882 1.965 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.642 -3.390 1.950 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.315 -5.651 2.803 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.681 -3.016 0.916 1.00 0.00 C ATOM 0 H ILE A 67 2.191 -4.691 0.752 1.00 0.00 H new ATOM 0 HA ILE A 67 1.177 -4.713 3.523 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.349 -5.256 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.001 -3.097 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.268 -2.821 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.317 -5.485 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.083 -6.715 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.270 -5.304 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.871 -1.944 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.316 -3.277 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.606 -3.557 1.117 1.00 0.00 H new ATOM 1026 N ARG A 68 2.103 -7.048 3.570 1.00 0.00 N ATOM 1027 CA ARG A 68 2.453 -8.457 3.706 1.00 0.00 C ATOM 1028 C ARG A 68 1.201 -9.319 3.829 1.00 0.00 C ATOM 1029 O ARG A 68 0.287 -9.000 4.589 1.00 0.00 O ATOM 1030 CB ARG A 68 3.351 -8.666 4.927 1.00 0.00 C ATOM 1031 CG ARG A 68 4.750 -8.094 4.759 1.00 0.00 C ATOM 1032 CD ARG A 68 5.523 -8.823 3.672 1.00 0.00 C ATOM 1033 NE ARG A 68 6.941 -8.474 3.682 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.770 -8.740 2.678 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.324 -9.352 1.590 1.00 0.00 N ATOM 1036 NH2 ARG A 68 9.048 -8.391 2.761 1.00 0.00 N ATOM 0 H ARG A 68 2.425 -6.457 4.337 1.00 0.00 H new ATOM 0 HA ARG A 68 2.994 -8.759 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.881 -8.206 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.426 -9.734 5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.684 -7.035 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.290 -8.168 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.413 -9.899 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.097 -8.580 2.699 1.00 0.00 H new ATOM 0 HE ARG A 68 7.315 -8.000 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.342 -9.620 1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.963 -9.555 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.394 -7.918 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.684 -8.596 1.990 1.00 0.00 H new ATOM 1050 N GLY A 69 1.165 -10.414 3.076 1.00 0.00 N ATOM 1051 CA GLY A 69 0.021 -11.305 3.115 1.00 0.00 C ATOM 1052 C GLY A 69 -1.297 -10.561 3.019 1.00 0.00 C ATOM 1053 O GLY A 69 -1.976 -10.357 4.025 1.00 0.00 O ATOM 0 H GLY A 69 1.909 -10.700 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.092 -12.019 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.044 -11.880 4.041 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.658 -10.153 1.807 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.902 -9.428 1.585 1.00 0.00 C ATOM 1059 C ALA A 70 -4.078 -10.387 1.434 1.00 0.00 C ATOM 1060 O ALA A 70 -4.268 -10.991 0.379 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.783 -8.540 0.355 1.00 0.00 C ATOM 0 H ALA A 70 -1.106 -10.312 0.964 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.088 -8.801 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.720 -8.004 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.975 -7.823 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.569 -9.156 -0.519 1.00 0.00 H new ATOM 1067 N SER A 71 -4.864 -10.524 2.498 1.00 0.00 N ATOM 1068 CA SER A 71 -6.018 -11.415 2.485 1.00 0.00 C ATOM 1069 C SER A 71 -7.261 -10.686 1.983 1.00 0.00 C ATOM 1070 O SER A 71 -7.247 -9.469 1.791 1.00 0.00 O ATOM 1071 CB SER A 71 -6.273 -11.974 3.886 1.00 0.00 C ATOM 1072 OG SER A 71 -5.167 -12.734 4.341 1.00 0.00 O ATOM 0 H SER A 71 -4.722 -10.030 3.379 1.00 0.00 H new ATOM 0 HA SER A 71 -5.802 -12.240 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.465 -11.154 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.167 -12.598 3.875 1.00 0.00 H new ATOM 0 HG SER A 71 -5.354 -13.079 5.239 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.335 -11.438 1.771 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.588 -10.865 1.291 1.00 0.00 C ATOM 1080 C LEU A 72 -9.987 -9.653 2.125 1.00 0.00 C ATOM 1081 O LEU A 72 -10.488 -8.659 1.597 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.700 -11.915 1.331 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.394 -13.243 0.638 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.512 -14.244 0.886 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.187 -13.031 -0.855 1.00 0.00 C ATOM 0 H LEU A 72 -8.364 -12.446 1.924 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.440 -10.541 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.942 -12.120 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.593 -11.487 0.875 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.473 -13.646 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.277 -15.183 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.613 -14.419 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.449 -13.848 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.970 -13.987 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.091 -12.605 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.352 -12.349 -1.013 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.761 -9.739 3.431 1.00 0.00 N ATOM 1098 CA LYS A 73 -10.094 -8.648 4.340 1.00 0.00 C ATOM 1099 C LYS A 73 -9.157 -7.462 4.132 1.00 0.00 C ATOM 1100 O LYS A 73 -9.601 -6.317 4.045 1.00 0.00 O ATOM 1101 CB LYS A 73 -10.016 -9.125 5.792 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.641 -8.160 6.784 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.275 -8.515 8.215 1.00 0.00 C ATOM 1104 CE LYS A 73 -8.963 -7.869 8.631 1.00 0.00 C ATOM 1105 NZ LYS A 73 -9.056 -6.383 8.645 1.00 0.00 N ATOM 0 H LYS A 73 -9.348 -10.554 3.885 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.113 -8.326 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.514 -10.091 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.971 -9.281 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.309 -7.145 6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.725 -8.172 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.070 -8.191 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.196 -9.598 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.681 -8.225 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.173 -8.177 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.373 -5.999 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.843 -6.013 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.018 -6.098 8.920 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.862 -7.745 4.052 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.863 -6.701 3.851 1.00 0.00 C ATOM 1121 C ASP A 74 -7.311 -5.720 2.772 1.00 0.00 C ATOM 1122 O ASP A 74 -7.016 -4.527 2.842 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.518 -7.320 3.468 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.768 -7.863 4.668 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.958 -7.326 5.779 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.989 -8.825 4.496 1.00 0.00 O ATOM 0 H ASP A 74 -7.479 -8.688 4.123 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.750 -6.156 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.683 -8.125 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.905 -6.570 2.969 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.026 -6.231 1.775 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.515 -5.400 0.682 1.00 0.00 C ATOM 1133 C ALA A 75 -9.372 -4.252 1.206 1.00 0.00 C ATOM 1134 O ALA A 75 -10.418 -4.473 1.814 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.307 -6.242 -0.308 1.00 0.00 C ATOM 0 H ALA A 75 -8.279 -7.216 1.702 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.653 -4.972 0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.666 -5.608 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.666 -7.024 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.157 -6.698 0.200 1.00 0.00 H new ATOM 1141 N GLY A 76 -8.919 -3.025 0.968 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.655 -1.861 1.424 1.00 0.00 C ATOM 1143 C GLY A 76 -9.301 -0.609 0.646 1.00 0.00 C ATOM 1144 O GLY A 76 -8.823 -0.689 -0.485 1.00 0.00 O ATOM 0 H GLY A 76 -8.055 -2.817 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.724 -2.052 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.451 -1.697 2.482 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.537 0.550 1.253 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.241 1.824 0.607 1.00 0.00 C ATOM 1150 C GLU A 77 -8.107 2.548 1.327 1.00 0.00 C ATOM 1151 O GLU A 77 -8.249 2.954 2.481 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.489 2.708 0.579 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.233 4.106 0.040 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.338 5.081 0.396 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -11.516 5.360 1.601 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.025 5.564 -0.528 1.00 0.00 O ATOM 0 H GLU A 77 -9.932 0.633 2.190 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.926 1.620 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.252 2.226 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.892 2.785 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.287 4.476 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.130 4.060 -1.044 1.00 0.00 H new ATOM 1163 N TYR A 78 -6.983 2.706 0.638 1.00 0.00 N ATOM 1164 CA TYR A 78 -5.823 3.378 1.212 1.00 0.00 C ATOM 1165 C TYR A 78 -5.778 4.843 0.788 1.00 0.00 C ATOM 1166 O TYR A 78 -5.549 5.159 -0.380 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.535 2.673 0.784 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.411 1.263 1.318 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.151 0.224 0.769 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.551 0.971 2.370 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.042 -1.065 1.254 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.434 -0.315 2.860 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.181 -1.329 2.299 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.068 -2.612 2.784 1.00 0.00 O ATOM 0 H TYR A 78 -6.850 2.378 -0.319 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.910 3.334 2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.490 2.646 -0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.680 3.258 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.823 0.427 -0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.964 1.763 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.627 -1.861 0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.761 -0.525 3.678 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.662 -3.206 2.279 1.00 0.00 H new ATOM 1184 N THR A 79 -5.998 5.737 1.748 1.00 0.00 N ATOM 1185 CA THR A 79 -5.984 7.169 1.477 1.00 0.00 C ATOM 1186 C THR A 79 -4.698 7.812 1.986 1.00 0.00 C ATOM 1187 O THR A 79 -4.503 7.960 3.192 1.00 0.00 O ATOM 1188 CB THR A 79 -7.189 7.875 2.126 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.408 7.397 1.546 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.094 9.383 1.946 1.00 0.00 C ATOM 0 H THR A 79 -6.188 5.494 2.720 1.00 0.00 H new ATOM 0 HA THR A 79 -6.043 7.287 0.395 1.00 0.00 H new ATOM 0 HB THR A 79 -7.182 7.651 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.169 7.850 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.956 9.860 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.180 9.748 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.078 9.622 0.883 1.00 0.00 H new ATOM 1198 N CYS A 80 -3.826 8.192 1.059 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.558 8.819 1.414 1.00 0.00 C ATOM 1200 C CYS A 80 -2.720 10.329 1.555 1.00 0.00 C ATOM 1201 O CYS A 80 -2.444 11.082 0.621 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.496 8.504 0.359 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.505 7.036 0.725 1.00 0.00 S ATOM 0 H CYS A 80 -3.974 8.077 0.056 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.237 8.415 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.986 8.367 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.832 9.362 0.260 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.284 5.999 0.819 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.169 10.764 2.728 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.369 12.184 2.990 1.00 0.00 C ATOM 1211 C GLU A 81 -2.036 12.887 3.230 1.00 0.00 C ATOM 1212 O GLU A 81 -1.291 12.533 4.144 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.286 12.378 4.200 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.956 13.741 4.243 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.367 14.145 5.646 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -4.543 13.993 6.572 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -6.513 14.611 5.818 1.00 0.00 O ATOM 0 H GLU A 81 -3.401 10.154 3.512 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.840 12.626 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.054 11.605 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.705 12.239 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.275 14.489 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.836 13.730 3.600 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.742 13.885 2.403 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.500 14.638 2.524 1.00 0.00 C ATOM 1226 C VAL A 82 -0.738 15.986 3.196 1.00 0.00 C ATOM 1227 O VAL A 82 -1.849 16.284 3.634 1.00 0.00 O ATOM 1228 CB VAL A 82 0.152 14.871 1.148 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.408 16.126 0.497 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.665 14.961 1.285 1.00 0.00 C ATOM 0 H VAL A 82 -2.348 14.191 1.641 1.00 0.00 H new ATOM 0 HA VAL A 82 0.173 14.041 3.140 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.083 14.022 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.065 16.274 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.484 16.018 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.206 16.987 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.110 15.126 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.922 15.790 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.048 14.031 1.706 1.00 0.00 H new ATOM 1240 N GLU A 83 0.313 16.796 3.273 1.00 0.00 N ATOM 1241 CA GLU A 83 0.218 18.113 3.893 1.00 0.00 C ATOM 1242 C GLU A 83 -1.186 18.690 3.731 1.00 0.00 C ATOM 1243 O GLU A 83 -1.929 18.824 4.703 1.00 0.00 O ATOM 1244 CB GLU A 83 1.246 19.065 3.279 1.00 0.00 C ATOM 1245 CG GLU A 83 2.425 18.355 2.635 1.00 0.00 C ATOM 1246 CD GLU A 83 3.173 17.465 3.609 1.00 0.00 C ATOM 1247 OE1 GLU A 83 4.096 17.967 4.283 1.00 0.00 O ATOM 1248 OE2 GLU A 83 2.834 16.266 3.696 1.00 0.00 O ATOM 0 H GLU A 83 1.239 16.564 2.914 1.00 0.00 H new ATOM 0 HA GLU A 83 0.426 18.002 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.753 19.685 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.616 19.736 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.069 17.753 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.111 19.096 2.225 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.541 19.029 2.496 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.855 19.590 2.206 1.00 0.00 C ATOM 1257 C ALA A 84 -3.634 18.696 1.248 1.00 0.00 C ATOM 1258 O ALA A 84 -4.864 18.668 1.271 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.715 20.991 1.628 1.00 0.00 C ATOM 0 H ALA A 84 -0.937 18.925 1.680 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.412 19.649 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.704 21.398 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.205 21.632 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.135 20.948 0.706 1.00 0.00 H new ATOM 1265 N SER A 85 -2.909 17.967 0.405 1.00 0.00 N ATOM 1266 CA SER A 85 -3.534 17.075 -0.565 1.00 0.00 C ATOM 1267 C SER A 85 -3.767 15.693 0.038 1.00 0.00 C ATOM 1268 O SER A 85 -3.475 15.458 1.211 1.00 0.00 O ATOM 1269 CB SER A 85 -2.661 16.957 -1.816 1.00 0.00 C ATOM 1270 OG SER A 85 -3.438 16.611 -2.950 1.00 0.00 O ATOM 0 H SER A 85 -1.890 17.977 0.374 1.00 0.00 H new ATOM 0 HA SER A 85 -4.499 17.499 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.149 17.902 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.890 16.203 -1.656 1.00 0.00 H new ATOM 0 HG SER A 85 -2.857 16.544 -3.736 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.295 14.782 -0.771 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.567 13.423 -0.320 1.00 0.00 C ATOM 1278 C LYS A 86 -5.047 12.551 -1.477 1.00 0.00 C ATOM 1279 O LYS A 86 -5.795 13.008 -2.342 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.617 13.433 0.793 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.984 13.911 0.336 1.00 0.00 C ATOM 1282 CD LYS A 86 -8.101 13.225 1.105 1.00 0.00 C ATOM 1283 CE LYS A 86 -9.464 13.545 0.512 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.625 12.968 -0.851 1.00 0.00 N ATOM 0 H LYS A 86 -4.544 14.960 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.639 13.004 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.711 12.427 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.269 14.074 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.057 14.990 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.101 13.715 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.943 12.147 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.074 13.541 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.245 13.156 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.596 14.626 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.632 12.967 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.091 13.541 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.264 11.993 -0.860 1.00 0.00 H new ATOM 1298 N SER A 87 -4.613 11.295 -1.485 1.00 0.00 N ATOM 1299 CA SER A 87 -4.997 10.361 -2.537 1.00 0.00 C ATOM 1300 C SER A 87 -5.922 9.278 -1.990 1.00 0.00 C ATOM 1301 O SER A 87 -6.110 9.157 -0.779 1.00 0.00 O ATOM 1302 CB SER A 87 -3.754 9.720 -3.157 1.00 0.00 C ATOM 1303 OG SER A 87 -4.106 8.828 -4.201 1.00 0.00 O ATOM 0 H SER A 87 -3.996 10.901 -0.775 1.00 0.00 H new ATOM 0 HA SER A 87 -5.532 10.918 -3.306 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.096 10.497 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.196 9.184 -2.389 1.00 0.00 H new ATOM 0 HG SER A 87 -4.114 7.910 -3.858 1.00 0.00 H new ATOM 1309 N THR A 88 -6.499 8.490 -2.893 1.00 0.00 N ATOM 1310 CA THR A 88 -7.406 7.418 -2.503 1.00 0.00 C ATOM 1311 C THR A 88 -7.394 6.289 -3.528 1.00 0.00 C ATOM 1312 O THR A 88 -7.475 6.530 -4.732 1.00 0.00 O ATOM 1313 CB THR A 88 -8.848 7.933 -2.340 1.00 0.00 C ATOM 1314 OG1 THR A 88 -8.862 9.095 -1.503 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.742 6.859 -1.740 1.00 0.00 C ATOM 0 H THR A 88 -6.354 8.575 -3.899 1.00 0.00 H new ATOM 0 HA THR A 88 -7.054 7.039 -1.544 1.00 0.00 H new ATOM 0 HB THR A 88 -9.231 8.192 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.782 9.417 -1.406 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.755 7.246 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.753 5.987 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.359 6.572 -0.760 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.294 5.056 -3.041 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.275 3.889 -3.915 1.00 0.00 C ATOM 1325 C ALA A 89 -8.156 2.775 -3.362 1.00 0.00 C ATOM 1326 O ALA A 89 -8.640 2.855 -2.233 1.00 0.00 O ATOM 1327 CB ALA A 89 -5.849 3.393 -4.102 1.00 0.00 C ATOM 0 H ALA A 89 -7.225 4.840 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.675 4.185 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.850 2.521 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.245 4.182 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.429 3.119 -3.134 1.00 0.00 H new ATOM 1333 N SER A 90 -8.362 1.736 -4.166 1.00 0.00 N ATOM 1334 CA SER A 90 -9.190 0.607 -3.758 1.00 0.00 C ATOM 1335 C SER A 90 -8.505 -0.716 -4.088 1.00 0.00 C ATOM 1336 O SER A 90 -8.435 -1.120 -5.249 1.00 0.00 O ATOM 1337 CB SER A 90 -10.555 0.673 -4.446 1.00 0.00 C ATOM 1338 OG SER A 90 -11.387 1.645 -3.836 1.00 0.00 O ATOM 0 H SER A 90 -7.967 1.653 -5.103 1.00 0.00 H new ATOM 0 HA SER A 90 -9.332 0.664 -2.679 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.423 0.913 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.037 -0.304 -4.399 1.00 0.00 H new ATOM 0 HG SER A 90 -12.253 1.669 -4.295 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.001 -1.387 -3.058 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.321 -2.665 -3.236 1.00 0.00 C ATOM 1346 C LEU A 91 -8.327 -3.792 -3.450 1.00 0.00 C ATOM 1347 O LEU A 91 -9.451 -3.737 -2.951 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.444 -2.972 -2.021 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.926 -4.407 -1.913 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.080 -4.762 -3.126 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.126 -4.590 -0.631 1.00 0.00 C ATOM 0 H LEU A 91 -8.051 -1.067 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.690 -2.593 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.588 -2.298 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.013 -2.744 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.782 -5.081 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.720 -5.787 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.683 -4.671 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.229 -4.083 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.765 -5.617 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.277 -3.906 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.762 -4.378 0.228 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.914 -4.814 -4.193 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.777 -5.956 -4.470 1.00 0.00 C ATOM 1365 C HIS A 92 -8.033 -7.268 -4.243 1.00 0.00 C ATOM 1366 O HIS A 92 -6.873 -7.410 -4.631 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.297 -5.892 -5.907 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.999 -4.610 -6.234 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.575 -3.514 -6.905 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -11.299 -4.347 -5.857 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.615 -2.619 -6.923 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.644 -3.145 -6.283 1.00 0.00 N flip ATOM 0 H HIS A 92 -6.987 -4.874 -4.614 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.623 -5.916 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.461 -6.024 -6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.981 -6.724 -6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.936 -5.019 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.595 -1.643 -7.385 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.550 -2.699 -6.142 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.707 -8.224 -3.612 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.110 -9.525 -3.334 1.00 0.00 C ATOM 1383 C VAL A 93 -9.096 -10.653 -3.612 1.00 0.00 C ATOM 1384 O VAL A 93 -10.149 -10.740 -2.980 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.633 -9.622 -1.873 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.034 -10.993 -1.597 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.630 -8.521 -1.565 1.00 0.00 C ATOM 0 H VAL A 93 -9.667 -8.122 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.251 -9.627 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.495 -9.490 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.702 -11.043 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.786 -11.761 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.183 -11.158 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.304 -8.605 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.768 -8.619 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.098 -7.549 -1.720 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.748 -11.516 -4.561 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.604 -12.640 -4.923 1.00 0.00 C ATOM 1399 C GLU A 94 -8.781 -13.910 -5.116 1.00 0.00 C ATOM 1400 O GLU A 94 -7.666 -13.866 -5.635 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.385 -12.325 -6.201 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.375 -11.184 -6.043 1.00 0.00 C ATOM 1403 CD GLU A 94 -11.965 -10.736 -7.366 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -11.185 -10.484 -8.309 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.206 -10.637 -7.459 1.00 0.00 O ATOM 0 H GLU A 94 -7.880 -11.459 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.308 -12.805 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.681 -12.077 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.921 -13.219 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.180 -11.496 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.877 -10.339 -5.567 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.341 -15.040 -4.695 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.658 -16.323 -4.821 1.00 0.00 C ATOM 1414 C GLU A 95 -8.625 -16.781 -6.276 1.00 0.00 C ATOM 1415 O GLU A 95 -9.610 -16.650 -7.003 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.349 -17.380 -3.957 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.416 -18.481 -3.481 1.00 0.00 C ATOM 1418 CD GLU A 95 -7.990 -19.410 -4.601 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -8.877 -20.009 -5.244 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -6.770 -19.538 -4.835 1.00 0.00 O ATOM 0 H GLU A 95 -10.264 -15.093 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.632 -16.196 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.795 -16.893 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.164 -17.827 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.531 -18.032 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.912 -19.061 -2.702 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.484 -17.319 -6.695 1.00 0.00 N ATOM 1428 CA LYS A 96 -7.320 -17.798 -8.062 1.00 0.00 C ATOM 1429 C LYS A 96 -8.590 -18.487 -8.553 1.00 0.00 C ATOM 1430 O LYS A 96 -9.178 -19.303 -7.844 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.137 -18.764 -8.148 1.00 0.00 C ATOM 1432 CG LYS A 96 -4.808 -18.133 -7.772 1.00 0.00 C ATOM 1433 CD LYS A 96 -3.642 -19.052 -8.096 1.00 0.00 C ATOM 1434 CE LYS A 96 -2.307 -18.377 -7.823 1.00 0.00 C ATOM 1435 NZ LYS A 96 -1.163 -19.311 -8.016 1.00 0.00 N ATOM 0 H LYS A 96 -6.659 -17.434 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.124 -16.937 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.325 -19.614 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.070 -19.154 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.688 -17.190 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.803 -17.900 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.719 -19.962 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.693 -19.350 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.191 -17.519 -8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.295 -17.995 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.271 -18.813 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.259 -20.117 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.158 -19.656 -8.997 1.00 0.00 H new ATOM 1449 N ALA A 97 -9.005 -18.154 -9.771 1.00 0.00 N ATOM 1450 CA ALA A 97 -10.202 -18.743 -10.357 1.00 0.00 C ATOM 1451 C ALA A 97 -9.924 -20.150 -10.875 1.00 0.00 C ATOM 1452 O ALA A 97 -10.611 -21.104 -10.509 1.00 0.00 O ATOM 1453 CB ALA A 97 -10.730 -17.861 -11.478 1.00 0.00 C ATOM 0 H ALA A 97 -8.530 -17.480 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.961 -18.814 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.624 -18.313 -11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.976 -16.876 -11.081 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.968 -17.760 -12.251 1.00 0.00 H new ATOM 1459 N SER A 98 -8.913 -20.272 -11.729 1.00 0.00 N ATOM 1460 CA SER A 98 -8.547 -21.562 -12.302 1.00 0.00 C ATOM 1461 C SER A 98 -8.376 -22.613 -11.208 1.00 0.00 C ATOM 1462 O SER A 98 -8.264 -22.284 -10.028 1.00 0.00 O ATOM 1463 CB SER A 98 -7.254 -21.437 -13.111 1.00 0.00 C ATOM 1464 OG SER A 98 -6.158 -21.115 -12.273 1.00 0.00 O ATOM 0 H SER A 98 -8.333 -19.493 -12.040 1.00 0.00 H new ATOM 0 HA SER A 98 -9.352 -21.879 -12.965 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.055 -22.374 -13.632 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.371 -20.667 -13.874 1.00 0.00 H new ATOM 0 HG SER A 98 -5.344 -21.042 -12.813 1.00 0.00 H new ATOM 1470 N GLY A 99 -8.356 -23.880 -11.611 1.00 0.00 N ATOM 1471 CA GLY A 99 -8.199 -24.960 -10.654 1.00 0.00 C ATOM 1472 C GLY A 99 -9.312 -25.984 -10.748 1.00 0.00 C ATOM 1473 O GLY A 99 -10.452 -25.664 -11.088 1.00 0.00 O ATOM 0 H GLY A 99 -8.446 -24.178 -12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.241 -25.453 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.174 -24.547 -9.646 1.00 0.00 H new ATOM 1477 N PRO A 100 -8.985 -27.249 -10.444 1.00 0.00 N ATOM 1478 CA PRO A 100 -9.953 -28.349 -10.490 1.00 0.00 C ATOM 1479 C PRO A 100 -10.997 -28.250 -9.383 1.00 0.00 C ATOM 1480 O PRO A 100 -11.915 -29.067 -9.307 1.00 0.00 O ATOM 1481 CB PRO A 100 -9.083 -29.594 -10.294 1.00 0.00 C ATOM 1482 CG PRO A 100 -7.886 -29.107 -9.554 1.00 0.00 C ATOM 1483 CD PRO A 100 -7.646 -27.702 -10.032 1.00 0.00 C ATOM 0 HA PRO A 100 -10.523 -28.351 -11.419 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.612 -30.362 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.804 -30.037 -11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.057 -29.129 -8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.021 -29.740 -9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.234 -27.074 -9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.940 -27.675 -10.862 1.00 0.00 H new ATOM 1491 N SER A 101 -10.851 -27.244 -8.527 1.00 0.00 N ATOM 1492 CA SER A 101 -11.780 -27.039 -7.422 1.00 0.00 C ATOM 1493 C SER A 101 -13.222 -27.220 -7.884 1.00 0.00 C ATOM 1494 O SER A 101 -13.613 -26.729 -8.943 1.00 0.00 O ATOM 1495 CB SER A 101 -11.595 -25.643 -6.824 1.00 0.00 C ATOM 1496 OG SER A 101 -12.306 -25.512 -5.605 1.00 0.00 O ATOM 0 H SER A 101 -10.098 -26.558 -8.577 1.00 0.00 H new ATOM 0 HA SER A 101 -11.566 -27.785 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.535 -25.455 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.941 -24.891 -7.533 1.00 0.00 H new ATOM 0 HG SER A 101 -12.170 -24.612 -5.242 1.00 0.00 H new ATOM 1502 N SER A 102 -14.010 -27.930 -7.082 1.00 0.00 N ATOM 1503 CA SER A 102 -15.409 -28.180 -7.409 1.00 0.00 C ATOM 1504 C SER A 102 -16.227 -28.425 -6.145 1.00 0.00 C ATOM 1505 O SER A 102 -15.684 -28.488 -5.043 1.00 0.00 O ATOM 1506 CB SER A 102 -15.527 -29.382 -8.348 1.00 0.00 C ATOM 1507 OG SER A 102 -15.112 -30.575 -7.705 1.00 0.00 O ATOM 0 H SER A 102 -13.703 -28.342 -6.201 1.00 0.00 H new ATOM 0 HA SER A 102 -15.804 -27.296 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.559 -29.486 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.919 -29.214 -9.237 1.00 0.00 H new ATOM 0 HG SER A 102 -15.199 -31.328 -8.326 1.00 0.00 H new ATOM 1513 N GLY A 103 -17.539 -28.563 -6.314 1.00 0.00 N ATOM 1514 CA GLY A 103 -18.412 -28.799 -5.180 1.00 0.00 C ATOM 1515 C GLY A 103 -19.753 -29.375 -5.590 1.00 0.00 C ATOM 1516 O GLY A 103 -19.861 -30.567 -5.880 1.00 0.00 O ATOM 0 H GLY A 103 -18.012 -28.515 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.924 -29.483 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.571 -27.862 -4.646 1.00 0.00 H new TER 1520 GLY A 103