USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 466 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 19 ASN : amide:sc= 0.326 K(o=1.2,f=-0.55) USER MOD Set 1.2: A 53 THR OG1 : rot -53:sc= 0.865 USER MOD Single : A 1 MET CE :methyl -103:sc= -1.33 (180deg=-1.64) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.85 (180deg=0.715) USER MOD Single : A 2 ASN : amide:sc= 0.711 K(o=0.71,f=-0.61) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.189 F(o=-1.8!,f=-0.19) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc=-0.00759 (180deg=-0.0983) USER MOD Single : A 10 SER OG : rot 180:sc= -0.117 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -129:sc= 0.00227 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.31) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.301 USER MOD Single : A 40 ASN : amide:sc= 0.22 K(o=0.22,f=-0.55) USER MOD Single : A 52 THR OG1 : rot 76:sc= 1.04 USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.687) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.815 -11.181 -2.189 1.00 61.01 N ATOM 2 CA MET A 1 -1.988 -10.773 -1.017 1.00 61.30 C ATOM 3 C MET A 1 -2.354 -9.364 -0.521 1.00 4.23 C ATOM 4 O MET A 1 -2.607 -8.459 -1.317 1.00 71.11 O ATOM 5 CB MET A 1 -0.492 -10.841 -1.366 1.00 42.34 C ATOM 6 CG MET A 1 -0.084 -9.998 -2.570 1.00 34.14 C ATOM 7 SD MET A 1 1.688 -10.067 -2.901 1.00 65.22 S ATOM 8 CE MET A 1 1.929 -11.822 -3.174 1.00 31.03 C ATOM 0 H1 MET A 1 -2.391 -12.017 -2.639 1.00 61.01 H new ATOM 0 H2 MET A 1 -3.778 -11.410 -1.871 1.00 61.01 H new ATOM 0 H3 MET A 1 -2.854 -10.401 -2.875 1.00 61.01 H new ATOM 0 HA MET A 1 -2.199 -11.473 -0.209 1.00 61.30 H new ATOM 0 HB2 MET A 1 0.085 -10.518 -0.500 1.00 42.34 H new ATOM 0 HB3 MET A 1 -0.224 -11.880 -1.558 1.00 42.34 H new ATOM 0 HG2 MET A 1 -0.627 -10.342 -3.450 1.00 34.14 H new ATOM 0 HG3 MET A 1 -0.377 -8.962 -2.399 1.00 34.14 H new ATOM 0 HE1 MET A 1 2.381 -12.269 -2.289 1.00 31.03 H new ATOM 0 HE2 MET A 1 0.967 -12.295 -3.369 1.00 31.03 H new ATOM 0 HE3 MET A 1 2.586 -11.970 -4.031 1.00 31.03 H new ATOM 20 N ASN A 2 -2.372 -9.194 0.803 1.00 63.25 N ATOM 21 CA ASN A 2 -2.759 -7.925 1.436 1.00 24.52 C ATOM 22 C ASN A 2 -1.646 -6.874 1.332 1.00 64.21 C ATOM 23 O ASN A 2 -0.495 -7.143 1.670 1.00 34.35 O ATOM 24 CB ASN A 2 -3.121 -8.170 2.906 1.00 35.42 C ATOM 25 CG ASN A 2 -4.288 -9.132 3.049 1.00 52.51 C ATOM 26 OD1 ASN A 2 -5.441 -8.722 3.121 1.00 22.12 O ATOM 27 ND2 ASN A 2 -4.001 -10.418 3.085 1.00 45.43 N ATOM 0 H ASN A 2 -2.120 -9.927 1.466 1.00 63.25 H new ATOM 0 HA ASN A 2 -3.627 -7.535 0.905 1.00 24.52 H new ATOM 0 HB2 ASN A 2 -2.254 -8.570 3.432 1.00 35.42 H new ATOM 0 HB3 ASN A 2 -3.372 -7.222 3.381 1.00 35.42 H new ATOM 0 HD21 ASN A 2 -4.749 -11.105 3.175 1.00 45.43 H new ATOM 0 HD22 ASN A 2 -3.031 -10.726 3.023 1.00 45.43 H new ATOM 34 N LEU A 3 -2.001 -5.672 0.872 1.00 34.34 N ATOM 35 CA LEU A 3 -1.023 -4.595 0.652 1.00 64.22 C ATOM 36 C LEU A 3 -1.569 -3.231 1.106 1.00 32.14 C ATOM 37 O LEU A 3 -2.782 -3.007 1.123 1.00 64.13 O ATOM 38 CB LEU A 3 -0.643 -4.522 -0.836 1.00 1.43 C ATOM 39 CG LEU A 3 -0.010 -5.796 -1.421 1.00 33.20 C ATOM 40 CD1 LEU A 3 0.254 -5.628 -2.913 1.00 70.34 C ATOM 41 CD2 LEU A 3 1.277 -6.151 -0.681 1.00 54.34 C ATOM 0 H LEU A 3 -2.961 -5.416 0.643 1.00 34.34 H new ATOM 0 HA LEU A 3 -0.141 -4.826 1.249 1.00 64.22 H new ATOM 0 HB2 LEU A 3 -1.539 -4.285 -1.411 1.00 1.43 H new ATOM 0 HB3 LEU A 3 0.053 -3.695 -0.975 1.00 1.43 H new ATOM 0 HG LEU A 3 -0.714 -6.618 -1.289 1.00 33.20 H new ATOM 0 HD11 LEU A 3 0.702 -6.540 -3.308 1.00 70.34 H new ATOM 0 HD12 LEU A 3 -0.686 -5.432 -3.429 1.00 70.34 H new ATOM 0 HD13 LEU A 3 0.935 -4.792 -3.070 1.00 70.34 H new ATOM 0 HD21 LEU A 3 1.707 -7.055 -1.112 1.00 54.34 H new ATOM 0 HD22 LEU A 3 1.989 -5.331 -0.775 1.00 54.34 H new ATOM 0 HD23 LEU A 3 1.056 -6.321 0.373 1.00 54.34 H new ATOM 53 N THR A 4 -0.669 -2.322 1.480 1.00 13.54 N ATOM 54 CA THR A 4 -1.056 -0.950 1.848 1.00 43.41 C ATOM 55 C THR A 4 -0.607 0.063 0.782 1.00 70.11 C ATOM 56 O THR A 4 0.567 0.112 0.409 1.00 21.25 O ATOM 57 CB THR A 4 -0.467 -0.530 3.220 1.00 34.13 C ATOM 58 OG1 THR A 4 -0.879 -1.453 4.243 1.00 74.33 O ATOM 59 CG2 THR A 4 -0.912 0.883 3.604 1.00 44.31 C ATOM 0 H THR A 4 0.333 -2.505 1.538 1.00 13.54 H new ATOM 0 HA THR A 4 -2.144 -0.947 1.916 1.00 43.41 H new ATOM 0 HB THR A 4 0.619 -0.542 3.132 1.00 34.13 H new ATOM 0 HG1 THR A 4 -0.499 -1.178 5.104 1.00 74.33 H new ATOM 0 HG21 THR A 4 -0.483 1.149 4.570 1.00 44.31 H new ATOM 0 HG22 THR A 4 -0.570 1.590 2.848 1.00 44.31 H new ATOM 0 HG23 THR A 4 -2.000 0.917 3.668 1.00 44.31 H new ATOM 67 N VAL A 5 -1.548 0.868 0.294 1.00 32.40 N ATOM 68 CA VAL A 5 -1.255 1.911 -0.703 1.00 11.53 C ATOM 69 C VAL A 5 -1.921 3.244 -0.317 1.00 14.15 C ATOM 70 O VAL A 5 -3.128 3.294 -0.102 1.00 32.11 O ATOM 71 CB VAL A 5 -1.727 1.478 -2.122 1.00 1.22 C ATOM 72 CG1 VAL A 5 -3.201 1.070 -2.113 1.00 31.10 C ATOM 73 CG2 VAL A 5 -1.478 2.590 -3.143 1.00 32.42 C ATOM 0 H VAL A 5 -2.528 0.822 0.571 1.00 32.40 H new ATOM 0 HA VAL A 5 -0.174 2.050 -0.722 1.00 11.53 H new ATOM 0 HB VAL A 5 -1.140 0.608 -2.417 1.00 1.22 H new ATOM 0 HG11 VAL A 5 -3.502 0.773 -3.117 1.00 31.10 H new ATOM 0 HG12 VAL A 5 -3.343 0.233 -1.429 1.00 31.10 H new ATOM 0 HG13 VAL A 5 -3.810 1.913 -1.786 1.00 31.10 H new ATOM 0 HG21 VAL A 5 -1.816 2.263 -4.126 1.00 32.42 H new ATOM 0 HG22 VAL A 5 -2.028 3.484 -2.849 1.00 32.42 H new ATOM 0 HG23 VAL A 5 -0.412 2.816 -3.182 1.00 32.42 H new ATOM 83 N ASN A 6 -1.131 4.320 -0.204 1.00 52.13 N ATOM 84 CA ASN A 6 -1.663 5.644 0.178 1.00 32.22 C ATOM 85 C ASN A 6 -2.274 5.611 1.591 1.00 64.21 C ATOM 86 O ASN A 6 -3.143 6.420 1.930 1.00 74.14 O ATOM 87 CB ASN A 6 -2.717 6.121 -0.841 1.00 31.40 C ATOM 88 CG ASN A 6 -2.138 6.451 -2.209 1.00 51.53 C ATOM 89 OD1 ASN A 6 -1.059 5.800 -2.588 1.00 51.31 O flip ATOM 90 ND2 ASN A 6 -2.663 7.295 -2.925 1.00 34.23 N flip ATOM 0 H ASN A 6 -0.125 4.305 -0.370 1.00 52.13 H new ATOM 0 HA ASN A 6 -0.830 6.347 0.180 1.00 32.22 H new ATOM 0 HB2 ASN A 6 -3.476 5.347 -0.954 1.00 31.40 H new ATOM 0 HB3 ASN A 6 -3.218 7.004 -0.446 1.00 31.40 H new ATOM 0 HD21 ASN A 6 -3.499 7.785 -2.607 1.00 34.23 H new ATOM 0 HD22 ASN A 6 -2.264 7.508 -3.839 1.00 34.23 H new ATOM 97 N GLY A 7 -1.786 4.690 2.420 1.00 0.42 N ATOM 98 CA GLY A 7 -2.349 4.496 3.750 1.00 72.02 C ATOM 99 C GLY A 7 -3.686 3.763 3.723 1.00 12.40 C ATOM 100 O GLY A 7 -4.442 3.793 4.695 1.00 30.34 O ATOM 0 H GLY A 7 -1.007 4.071 2.194 1.00 0.42 H new ATOM 0 HA2 GLY A 7 -1.643 3.933 4.360 1.00 72.02 H new ATOM 0 HA3 GLY A 7 -2.481 5.466 4.229 1.00 72.02 H new ATOM 104 N LYS A 8 -3.982 3.111 2.599 1.00 53.45 N ATOM 105 CA LYS A 8 -5.231 2.363 2.433 1.00 3.14 C ATOM 106 C LYS A 8 -4.984 0.853 2.566 1.00 50.54 C ATOM 107 O LYS A 8 -4.226 0.272 1.782 1.00 43.52 O ATOM 108 CB LYS A 8 -5.847 2.647 1.053 1.00 61.12 C ATOM 109 CG LYS A 8 -6.079 4.127 0.752 1.00 41.33 C ATOM 110 CD LYS A 8 -6.575 4.333 -0.680 1.00 11.45 C ATOM 111 CE LYS A 8 -6.722 5.810 -1.031 1.00 64.13 C ATOM 112 NZ LYS A 8 -7.698 6.498 -0.148 1.00 14.42 N ATOM 0 H LYS A 8 -3.370 3.085 1.784 1.00 53.45 H new ATOM 0 HA LYS A 8 -5.918 2.686 3.215 1.00 3.14 H new ATOM 0 HB2 LYS A 8 -5.194 2.232 0.286 1.00 61.12 H new ATOM 0 HB3 LYS A 8 -6.799 2.121 0.980 1.00 61.12 H new ATOM 0 HG2 LYS A 8 -6.808 4.533 1.453 1.00 41.33 H new ATOM 0 HG3 LYS A 8 -5.152 4.680 0.901 1.00 41.33 H new ATOM 0 HD2 LYS A 8 -5.879 3.864 -1.375 1.00 11.45 H new ATOM 0 HD3 LYS A 8 -7.536 3.834 -0.805 1.00 11.45 H new ATOM 0 HE2 LYS A 8 -5.752 6.300 -0.950 1.00 64.13 H new ATOM 0 HE3 LYS A 8 -7.042 5.906 -2.069 1.00 64.13 H new ATOM 0 HZ1 LYS A 8 -7.869 7.460 -0.503 1.00 14.42 H new ATOM 0 HZ2 LYS A 8 -8.593 5.968 -0.140 1.00 14.42 H new ATOM 0 HZ3 LYS A 8 -7.316 6.549 0.818 1.00 14.42 H new ATOM 126 N PRO A 9 -5.598 0.198 3.566 1.00 33.43 N ATOM 127 CA PRO A 9 -5.541 -1.265 3.703 1.00 73.10 C ATOM 128 C PRO A 9 -6.292 -1.969 2.559 1.00 22.02 C ATOM 129 O PRO A 9 -7.504 -1.800 2.407 1.00 54.14 O ATOM 130 CB PRO A 9 -6.232 -1.538 5.054 1.00 21.24 C ATOM 131 CG PRO A 9 -6.306 -0.209 5.739 1.00 44.35 C ATOM 132 CD PRO A 9 -6.377 0.820 4.647 1.00 63.31 C ATOM 0 HA PRO A 9 -4.519 -1.643 3.661 1.00 73.10 H new ATOM 0 HB2 PRO A 9 -7.226 -1.961 4.908 1.00 21.24 H new ATOM 0 HB3 PRO A 9 -5.665 -2.255 5.648 1.00 21.24 H new ATOM 0 HG2 PRO A 9 -7.182 -0.152 6.385 1.00 44.35 H new ATOM 0 HG3 PRO A 9 -5.433 -0.047 6.371 1.00 44.35 H new ATOM 0 HD2 PRO A 9 -7.405 1.018 4.343 1.00 63.31 H new ATOM 0 HD3 PRO A 9 -5.948 1.772 4.959 1.00 63.31 H new ATOM 140 N SER A 10 -5.574 -2.734 1.742 1.00 63.23 N ATOM 141 CA SER A 10 -6.188 -3.427 0.597 1.00 75.13 C ATOM 142 C SER A 10 -5.588 -4.825 0.400 1.00 11.12 C ATOM 143 O SER A 10 -4.802 -5.299 1.223 1.00 54.22 O ATOM 144 CB SER A 10 -6.005 -2.591 -0.681 1.00 63.42 C ATOM 145 OG SER A 10 -6.663 -3.185 -1.791 1.00 42.51 O ATOM 0 H SER A 10 -4.572 -2.894 1.844 1.00 63.23 H new ATOM 0 HA SER A 10 -7.251 -3.545 0.805 1.00 75.13 H new ATOM 0 HB2 SER A 10 -6.397 -1.587 -0.519 1.00 63.42 H new ATOM 0 HB3 SER A 10 -4.942 -2.487 -0.900 1.00 63.42 H new ATOM 0 HG SER A 10 -6.529 -2.629 -2.587 1.00 42.51 H new ATOM 151 N THR A 11 -5.979 -5.491 -0.678 1.00 52.21 N ATOM 152 CA THR A 11 -5.423 -6.807 -1.019 1.00 52.24 C ATOM 153 C THR A 11 -5.626 -7.142 -2.499 1.00 11.21 C ATOM 154 O THR A 11 -6.740 -7.073 -3.022 1.00 32.23 O ATOM 155 CB THR A 11 -6.027 -7.949 -0.154 1.00 72.24 C ATOM 156 OG1 THR A 11 -5.476 -9.215 -0.557 1.00 65.25 O ATOM 157 CG2 THR A 11 -7.550 -7.996 -0.259 1.00 60.14 C ATOM 0 H THR A 11 -6.679 -5.147 -1.336 1.00 52.21 H new ATOM 0 HA THR A 11 -4.356 -6.739 -0.808 1.00 52.24 H new ATOM 0 HB THR A 11 -5.768 -7.746 0.885 1.00 72.24 H new ATOM 0 HG1 THR A 11 -5.860 -9.929 -0.006 1.00 65.25 H new ATOM 0 HG21 THR A 11 -7.933 -8.808 0.360 1.00 60.14 H new ATOM 0 HG22 THR A 11 -7.968 -7.050 0.085 1.00 60.14 H new ATOM 0 HG23 THR A 11 -7.838 -8.164 -1.297 1.00 60.14 H new ATOM 165 N VAL A 12 -4.537 -7.487 -3.178 1.00 54.14 N ATOM 166 CA VAL A 12 -4.610 -7.923 -4.571 1.00 32.21 C ATOM 167 C VAL A 12 -4.646 -9.459 -4.652 1.00 40.10 C ATOM 168 O VAL A 12 -3.622 -10.137 -4.531 1.00 33.31 O ATOM 169 CB VAL A 12 -3.437 -7.354 -5.419 1.00 41.32 C ATOM 170 CG1 VAL A 12 -3.574 -5.838 -5.569 1.00 54.24 C ATOM 171 CG2 VAL A 12 -2.082 -7.700 -4.800 1.00 15.21 C ATOM 0 H VAL A 12 -3.594 -7.474 -2.789 1.00 54.14 H new ATOM 0 HA VAL A 12 -5.534 -7.527 -4.992 1.00 32.21 H new ATOM 0 HB VAL A 12 -3.486 -7.816 -6.405 1.00 41.32 H new ATOM 0 HG11 VAL A 12 -2.746 -5.455 -6.165 1.00 54.24 H new ATOM 0 HG12 VAL A 12 -4.516 -5.605 -6.065 1.00 54.24 H new ATOM 0 HG13 VAL A 12 -3.558 -5.372 -4.584 1.00 54.24 H new ATOM 0 HG21 VAL A 12 -1.284 -7.288 -5.417 1.00 15.21 H new ATOM 0 HG22 VAL A 12 -2.021 -7.276 -3.798 1.00 15.21 H new ATOM 0 HG23 VAL A 12 -1.974 -8.783 -4.743 1.00 15.21 H new ATOM 181 N ASP A 13 -5.847 -10.006 -4.817 1.00 30.22 N ATOM 182 CA ASP A 13 -6.035 -11.456 -4.858 1.00 24.31 C ATOM 183 C ASP A 13 -5.781 -12.002 -6.274 1.00 54.52 C ATOM 184 O ASP A 13 -6.210 -11.407 -7.268 1.00 52.32 O ATOM 185 CB ASP A 13 -7.451 -11.810 -4.385 1.00 74.12 C ATOM 186 CG ASP A 13 -7.592 -13.281 -4.041 1.00 22.11 C ATOM 187 OD1 ASP A 13 -7.896 -14.084 -4.947 1.00 71.13 O ATOM 188 OD2 ASP A 13 -7.374 -13.644 -2.865 1.00 4.12 O ATOM 0 H ASP A 13 -6.707 -9.468 -4.925 1.00 30.22 H new ATOM 0 HA ASP A 13 -5.313 -11.922 -4.188 1.00 24.31 H new ATOM 0 HB2 ASP A 13 -7.700 -11.209 -3.510 1.00 74.12 H new ATOM 0 HB3 ASP A 13 -8.167 -11.551 -5.165 1.00 74.12 H new ATOM 193 N GLY A 14 -5.085 -13.135 -6.359 1.00 21.45 N ATOM 194 CA GLY A 14 -4.728 -13.711 -7.654 1.00 41.13 C ATOM 195 C GLY A 14 -3.313 -13.347 -8.106 1.00 12.21 C ATOM 196 O GLY A 14 -2.923 -13.633 -9.241 1.00 15.13 O ATOM 0 H GLY A 14 -4.759 -13.669 -5.553 1.00 21.45 H new ATOM 0 HA2 GLY A 14 -4.817 -14.796 -7.599 1.00 41.13 H new ATOM 0 HA3 GLY A 14 -5.441 -13.371 -8.405 1.00 41.13 H new ATOM 200 N ALA A 15 -2.537 -12.722 -7.220 1.00 1.51 N ATOM 201 CA ALA A 15 -1.155 -12.333 -7.526 1.00 2.54 C ATOM 202 C ALA A 15 -0.144 -13.332 -6.937 1.00 11.52 C ATOM 203 O ALA A 15 0.203 -13.264 -5.755 1.00 64.42 O ATOM 204 CB ALA A 15 -0.882 -10.925 -7.003 1.00 75.40 C ATOM 0 H ALA A 15 -2.842 -12.472 -6.279 1.00 1.51 H new ATOM 0 HA ALA A 15 -1.033 -12.342 -8.609 1.00 2.54 H new ATOM 0 HB1 ALA A 15 0.145 -10.644 -7.234 1.00 75.40 H new ATOM 0 HB2 ALA A 15 -1.566 -10.222 -7.478 1.00 75.40 H new ATOM 0 HB3 ALA A 15 -1.030 -10.903 -5.923 1.00 75.40 H new ATOM 210 N GLU A 16 0.321 -14.263 -7.764 1.00 53.43 N ATOM 211 CA GLU A 16 1.248 -15.307 -7.312 1.00 32.12 C ATOM 212 C GLU A 16 2.684 -14.769 -7.168 1.00 53.22 C ATOM 213 O GLU A 16 3.544 -15.003 -8.019 1.00 34.42 O ATOM 214 CB GLU A 16 1.217 -16.532 -8.256 1.00 1.03 C ATOM 215 CG GLU A 16 1.553 -16.241 -9.728 1.00 21.21 C ATOM 216 CD GLU A 16 0.413 -15.585 -10.494 1.00 52.11 C ATOM 217 OE1 GLU A 16 -0.479 -16.311 -10.979 1.00 11.42 O ATOM 218 OE2 GLU A 16 0.404 -14.341 -10.619 1.00 70.45 O ATOM 0 H GLU A 16 0.074 -14.320 -8.752 1.00 53.43 H new ATOM 0 HA GLU A 16 0.913 -15.628 -6.326 1.00 32.12 H new ATOM 0 HB2 GLU A 16 1.920 -17.276 -7.881 1.00 1.03 H new ATOM 0 HB3 GLU A 16 0.224 -16.980 -8.210 1.00 1.03 H new ATOM 0 HG2 GLU A 16 2.429 -15.594 -9.771 1.00 21.21 H new ATOM 0 HG3 GLU A 16 1.822 -17.175 -10.222 1.00 21.21 H new ATOM 225 N SER A 17 2.924 -14.031 -6.086 1.00 73.35 N ATOM 226 CA SER A 17 4.246 -13.437 -5.807 1.00 43.41 C ATOM 227 C SER A 17 4.751 -12.606 -6.996 1.00 72.34 C ATOM 228 O SER A 17 5.682 -13.004 -7.698 1.00 62.02 O ATOM 229 CB SER A 17 5.285 -14.519 -5.455 1.00 55.33 C ATOM 230 OG SER A 17 4.881 -15.298 -4.333 1.00 23.24 O ATOM 0 H SER A 17 2.219 -13.824 -5.378 1.00 73.35 H new ATOM 0 HA SER A 17 4.120 -12.778 -4.948 1.00 43.41 H new ATOM 0 HB2 SER A 17 5.435 -15.172 -6.315 1.00 55.33 H new ATOM 0 HB3 SER A 17 6.244 -14.046 -5.242 1.00 55.33 H new ATOM 0 HG SER A 17 5.564 -15.974 -4.141 1.00 23.24 H new ATOM 236 N LEU A 18 4.131 -11.458 -7.227 1.00 32.12 N ATOM 237 CA LEU A 18 4.480 -10.618 -8.374 1.00 31.43 C ATOM 238 C LEU A 18 5.522 -9.555 -8.014 1.00 30.44 C ATOM 239 O LEU A 18 5.549 -9.039 -6.896 1.00 62.11 O ATOM 240 CB LEU A 18 3.224 -9.939 -8.937 1.00 3.24 C ATOM 241 CG LEU A 18 2.154 -10.891 -9.501 1.00 61.22 C ATOM 242 CD1 LEU A 18 0.981 -10.104 -10.081 1.00 31.44 C ATOM 243 CD2 LEU A 18 2.755 -11.821 -10.555 1.00 51.35 C ATOM 0 H LEU A 18 3.385 -11.084 -6.640 1.00 32.12 H new ATOM 0 HA LEU A 18 4.917 -11.271 -9.130 1.00 31.43 H new ATOM 0 HB2 LEU A 18 2.772 -9.339 -8.148 1.00 3.24 H new ATOM 0 HB3 LEU A 18 3.527 -9.251 -9.727 1.00 3.24 H new ATOM 0 HG LEU A 18 1.781 -11.504 -8.681 1.00 61.22 H new ATOM 0 HD11 LEU A 18 0.237 -10.797 -10.474 1.00 31.44 H new ATOM 0 HD12 LEU A 18 0.531 -9.493 -9.299 1.00 31.44 H new ATOM 0 HD13 LEU A 18 1.337 -9.460 -10.885 1.00 31.44 H new ATOM 0 HD21 LEU A 18 1.980 -12.484 -10.939 1.00 51.35 H new ATOM 0 HD22 LEU A 18 3.163 -11.228 -11.373 1.00 51.35 H new ATOM 0 HD23 LEU A 18 3.551 -12.415 -10.105 1.00 51.35 H new ATOM 255 N ASN A 19 6.391 -9.247 -8.972 1.00 32.34 N ATOM 256 CA ASN A 19 7.346 -8.149 -8.828 1.00 72.42 C ATOM 257 C ASN A 19 6.611 -6.802 -8.882 1.00 33.33 C ATOM 258 O ASN A 19 5.468 -6.738 -9.339 1.00 31.14 O ATOM 259 CB ASN A 19 8.395 -8.195 -9.946 1.00 75.14 C ATOM 260 CG ASN A 19 8.984 -9.579 -10.146 1.00 0.31 C ATOM 261 OD1 ASN A 19 9.094 -10.368 -9.212 1.00 51.02 O ATOM 262 ND2 ASN A 19 9.369 -9.885 -11.369 1.00 72.13 N ATOM 0 H ASN A 19 6.455 -9.744 -9.861 1.00 32.34 H new ATOM 0 HA ASN A 19 7.846 -8.257 -7.865 1.00 72.42 H new ATOM 0 HB2 ASN A 19 7.940 -7.861 -10.878 1.00 75.14 H new ATOM 0 HB3 ASN A 19 9.197 -7.494 -9.714 1.00 75.14 H new ATOM 0 HD21 ASN A 19 9.773 -10.802 -11.562 1.00 72.13 H new ATOM 0 HD22 ASN A 19 9.263 -9.205 -12.122 1.00 72.13 H new ATOM 269 N VAL A 20 7.263 -5.725 -8.447 1.00 65.55 N ATOM 270 CA VAL A 20 6.647 -4.393 -8.514 1.00 64.52 C ATOM 271 C VAL A 20 6.211 -4.070 -9.953 1.00 62.03 C ATOM 272 O VAL A 20 5.125 -3.540 -10.178 1.00 71.33 O ATOM 273 CB VAL A 20 7.599 -3.281 -8.004 1.00 62.43 C ATOM 274 CG1 VAL A 20 6.922 -1.910 -8.082 1.00 1.11 C ATOM 275 CG2 VAL A 20 8.067 -3.585 -6.580 1.00 44.42 C ATOM 0 H VAL A 20 8.202 -5.742 -8.050 1.00 65.55 H new ATOM 0 HA VAL A 20 5.774 -4.417 -7.861 1.00 64.52 H new ATOM 0 HB VAL A 20 8.477 -3.257 -8.649 1.00 62.43 H new ATOM 0 HG11 VAL A 20 7.608 -1.144 -7.719 1.00 1.11 H new ATOM 0 HG12 VAL A 20 6.653 -1.695 -9.116 1.00 1.11 H new ATOM 0 HG13 VAL A 20 6.023 -1.913 -7.466 1.00 1.11 H new ATOM 0 HG21 VAL A 20 8.734 -2.793 -6.240 1.00 44.42 H new ATOM 0 HG22 VAL A 20 7.203 -3.642 -5.917 1.00 44.42 H new ATOM 0 HG23 VAL A 20 8.597 -4.537 -6.567 1.00 44.42 H new ATOM 285 N THR A 21 7.056 -4.419 -10.924 1.00 52.15 N ATOM 286 CA THR A 21 6.732 -4.231 -12.347 1.00 73.44 C ATOM 287 C THR A 21 5.492 -5.042 -12.764 1.00 12.21 C ATOM 288 O THR A 21 4.628 -4.549 -13.492 1.00 74.12 O ATOM 289 CB THR A 21 7.917 -4.627 -13.262 1.00 75.52 C ATOM 290 OG1 THR A 21 9.073 -3.844 -12.936 1.00 32.11 O ATOM 291 CG2 THR A 21 7.575 -4.423 -14.736 1.00 34.15 C ATOM 0 H THR A 21 7.972 -4.834 -10.755 1.00 52.15 H new ATOM 0 HA THR A 21 6.522 -3.168 -12.470 1.00 73.44 H new ATOM 0 HB THR A 21 8.124 -5.684 -13.096 1.00 75.52 H new ATOM 0 HG1 THR A 21 9.438 -3.444 -13.753 1.00 32.11 H new ATOM 0 HG21 THR A 21 8.428 -4.710 -15.351 1.00 34.15 H new ATOM 0 HG22 THR A 21 6.715 -5.039 -14.999 1.00 34.15 H new ATOM 0 HG23 THR A 21 7.338 -3.374 -14.913 1.00 34.15 H new ATOM 299 N GLU A 22 5.401 -6.286 -12.293 1.00 63.32 N ATOM 300 CA GLU A 22 4.265 -7.155 -12.629 1.00 63.15 C ATOM 301 C GLU A 22 2.965 -6.644 -11.982 1.00 51.50 C ATOM 302 O GLU A 22 1.913 -6.596 -12.620 1.00 60.05 O ATOM 303 CB GLU A 22 4.547 -8.599 -12.191 1.00 2.13 C ATOM 304 CG GLU A 22 5.835 -9.175 -12.772 1.00 71.34 C ATOM 305 CD GLU A 22 6.012 -10.652 -12.459 1.00 12.35 C ATOM 306 OE1 GLU A 22 6.146 -10.999 -11.270 1.00 11.10 O ATOM 307 OE2 GLU A 22 6.013 -11.469 -13.404 1.00 14.21 O ATOM 0 H GLU A 22 6.094 -6.716 -11.681 1.00 63.32 H new ATOM 0 HA GLU A 22 4.135 -7.135 -13.711 1.00 63.15 H new ATOM 0 HB2 GLU A 22 4.601 -8.635 -11.103 1.00 2.13 H new ATOM 0 HB3 GLU A 22 3.710 -9.230 -12.490 1.00 2.13 H new ATOM 0 HG2 GLU A 22 5.836 -9.034 -13.853 1.00 71.34 H new ATOM 0 HG3 GLU A 22 6.686 -8.620 -12.378 1.00 71.34 H new ATOM 314 N LEU A 23 3.052 -6.249 -10.713 1.00 41.41 N ATOM 315 CA LEU A 23 1.920 -5.643 -10.005 1.00 2.52 C ATOM 316 C LEU A 23 1.515 -4.327 -10.691 1.00 62.13 C ATOM 317 O LEU A 23 0.330 -4.003 -10.808 1.00 75.32 O ATOM 318 CB LEU A 23 2.303 -5.418 -8.529 1.00 45.54 C ATOM 319 CG LEU A 23 1.164 -5.000 -7.574 1.00 45.11 C ATOM 320 CD1 LEU A 23 1.527 -5.353 -6.136 1.00 63.22 C ATOM 321 CD2 LEU A 23 0.862 -3.503 -7.684 1.00 30.51 C ATOM 0 H LEU A 23 3.898 -6.337 -10.150 1.00 41.41 H new ATOM 0 HA LEU A 23 1.060 -6.311 -10.038 1.00 2.52 H new ATOM 0 HB2 LEU A 23 2.746 -6.338 -8.148 1.00 45.54 H new ATOM 0 HB3 LEU A 23 3.077 -4.652 -8.491 1.00 45.54 H new ATOM 0 HG LEU A 23 0.268 -5.547 -7.865 1.00 45.11 H new ATOM 0 HD11 LEU A 23 0.716 -5.053 -5.472 1.00 63.22 H new ATOM 0 HD12 LEU A 23 1.685 -6.428 -6.054 1.00 63.22 H new ATOM 0 HD13 LEU A 23 2.440 -4.830 -5.852 1.00 63.22 H new ATOM 0 HD21 LEU A 23 0.055 -3.243 -6.998 1.00 30.51 H new ATOM 0 HD22 LEU A 23 1.754 -2.932 -7.428 1.00 30.51 H new ATOM 0 HD23 LEU A 23 0.561 -3.267 -8.705 1.00 30.51 H new ATOM 333 N LEU A 24 2.518 -3.588 -11.160 1.00 30.13 N ATOM 334 CA LEU A 24 2.305 -2.370 -11.944 1.00 20.22 C ATOM 335 C LEU A 24 1.480 -2.670 -13.208 1.00 5.34 C ATOM 336 O LEU A 24 0.660 -1.859 -13.637 1.00 12.23 O ATOM 337 CB LEU A 24 3.668 -1.753 -12.302 1.00 64.04 C ATOM 338 CG LEU A 24 3.634 -0.468 -13.144 1.00 54.31 C ATOM 339 CD1 LEU A 24 2.801 0.615 -12.464 1.00 64.34 C ATOM 340 CD2 LEU A 24 5.053 0.029 -13.409 1.00 5.24 C ATOM 0 H LEU A 24 3.501 -3.815 -11.008 1.00 30.13 H new ATOM 0 HA LEU A 24 1.738 -1.653 -11.350 1.00 20.22 H new ATOM 0 HB2 LEU A 24 4.201 -1.541 -11.375 1.00 64.04 H new ATOM 0 HB3 LEU A 24 4.251 -2.500 -12.841 1.00 64.04 H new ATOM 0 HG LEU A 24 3.162 -0.700 -14.099 1.00 54.31 H new ATOM 0 HD11 LEU A 24 2.795 1.512 -13.083 1.00 64.34 H new ATOM 0 HD12 LEU A 24 1.779 0.259 -12.332 1.00 64.34 H new ATOM 0 HD13 LEU A 24 3.233 0.849 -11.491 1.00 64.34 H new ATOM 0 HD21 LEU A 24 5.014 0.940 -14.006 1.00 5.24 H new ATOM 0 HD22 LEU A 24 5.548 0.238 -12.461 1.00 5.24 H new ATOM 0 HD23 LEU A 24 5.611 -0.736 -13.949 1.00 5.24 H new ATOM 352 N SER A 25 1.692 -3.853 -13.787 1.00 32.32 N ATOM 353 CA SER A 25 0.891 -4.316 -14.932 1.00 24.44 C ATOM 354 C SER A 25 -0.517 -4.757 -14.489 1.00 72.22 C ATOM 355 O SER A 25 -1.491 -4.586 -15.224 1.00 72.31 O ATOM 356 CB SER A 25 1.590 -5.478 -15.649 1.00 61.51 C ATOM 357 OG SER A 25 0.824 -5.936 -16.754 1.00 21.11 O ATOM 0 H SER A 25 2.410 -4.511 -13.485 1.00 32.32 H new ATOM 0 HA SER A 25 0.792 -3.477 -15.620 1.00 24.44 H new ATOM 0 HB2 SER A 25 2.573 -5.158 -15.993 1.00 61.51 H new ATOM 0 HB3 SER A 25 1.749 -6.298 -14.949 1.00 61.51 H new ATOM 0 HG SER A 25 1.293 -6.675 -17.193 1.00 21.11 H new ATOM 363 N ALA A 26 -0.617 -5.319 -13.281 1.00 24.02 N ATOM 364 CA ALA A 26 -1.911 -5.731 -12.710 1.00 61.31 C ATOM 365 C ALA A 26 -2.837 -4.523 -12.474 1.00 3.10 C ATOM 366 O ALA A 26 -4.064 -4.640 -12.524 1.00 10.41 O ATOM 367 CB ALA A 26 -1.694 -6.503 -11.412 1.00 32.31 C ATOM 0 H ALA A 26 0.183 -5.501 -12.675 1.00 24.02 H new ATOM 0 HA ALA A 26 -2.402 -6.384 -13.431 1.00 61.31 H new ATOM 0 HB1 ALA A 26 -2.658 -6.801 -11.001 1.00 32.31 H new ATOM 0 HB2 ALA A 26 -1.095 -7.391 -11.613 1.00 32.31 H new ATOM 0 HB3 ALA A 26 -1.174 -5.869 -10.694 1.00 32.31 H new ATOM 373 N LEU A 27 -2.239 -3.368 -12.186 1.00 61.04 N ATOM 374 CA LEU A 27 -2.983 -2.102 -12.111 1.00 52.14 C ATOM 375 C LEU A 27 -3.001 -1.413 -13.488 1.00 61.31 C ATOM 376 O LEU A 27 -3.932 -0.678 -13.824 1.00 72.54 O ATOM 377 CB LEU A 27 -2.346 -1.173 -11.065 1.00 14.14 C ATOM 378 CG LEU A 27 -2.223 -1.761 -9.647 1.00 50.22 C ATOM 379 CD1 LEU A 27 -1.581 -0.754 -8.698 1.00 34.21 C ATOM 380 CD2 LEU A 27 -3.590 -2.204 -9.124 1.00 53.23 C ATOM 0 H LEU A 27 -1.240 -3.278 -12.000 1.00 61.04 H new ATOM 0 HA LEU A 27 -4.009 -2.317 -11.812 1.00 52.14 H new ATOM 0 HB2 LEU A 27 -1.351 -0.892 -11.411 1.00 14.14 H new ATOM 0 HB3 LEU A 27 -2.935 -0.257 -11.010 1.00 14.14 H new ATOM 0 HG LEU A 27 -1.578 -2.638 -9.698 1.00 50.22 H new ATOM 0 HD11 LEU A 27 -1.504 -1.190 -7.702 1.00 34.21 H new ATOM 0 HD12 LEU A 27 -0.585 -0.497 -9.059 1.00 34.21 H new ATOM 0 HD13 LEU A 27 -2.194 0.146 -8.653 1.00 34.21 H new ATOM 0 HD21 LEU A 27 -3.480 -2.616 -8.121 1.00 53.23 H new ATOM 0 HD22 LEU A 27 -4.263 -1.347 -9.092 1.00 53.23 H new ATOM 0 HD23 LEU A 27 -4.003 -2.965 -9.786 1.00 53.23 H new ATOM 392 N LYS A 28 -1.940 -1.660 -14.257 1.00 34.42 N ATOM 393 CA LYS A 28 -1.783 -1.159 -15.629 1.00 30.34 C ATOM 394 C LYS A 28 -1.863 0.375 -15.710 1.00 60.33 C ATOM 395 O LYS A 28 -2.932 0.957 -15.919 1.00 74.12 O ATOM 396 CB LYS A 28 -2.804 -1.822 -16.570 1.00 61.24 C ATOM 397 CG LYS A 28 -2.396 -1.782 -18.040 1.00 70.43 C ATOM 398 CD LYS A 28 -3.211 -2.764 -18.880 1.00 1.33 C ATOM 399 CE LYS A 28 -2.653 -2.897 -20.293 1.00 44.45 C ATOM 400 NZ LYS A 28 -3.344 -3.965 -21.067 1.00 63.24 N ATOM 0 H LYS A 28 -1.150 -2.223 -13.941 1.00 34.42 H new ATOM 0 HA LYS A 28 -0.781 -1.434 -15.958 1.00 30.34 H new ATOM 0 HB2 LYS A 28 -2.943 -2.860 -16.268 1.00 61.24 H new ATOM 0 HB3 LYS A 28 -3.767 -1.325 -16.455 1.00 61.24 H new ATOM 0 HG2 LYS A 28 -2.531 -0.772 -18.428 1.00 70.43 H new ATOM 0 HG3 LYS A 28 -1.336 -2.019 -18.130 1.00 70.43 H new ATOM 0 HD2 LYS A 28 -3.214 -3.741 -18.397 1.00 1.33 H new ATOM 0 HD3 LYS A 28 -4.247 -2.429 -18.928 1.00 1.33 H new ATOM 0 HE2 LYS A 28 -2.757 -1.946 -20.815 1.00 44.45 H new ATOM 0 HE3 LYS A 28 -1.587 -3.118 -20.243 1.00 44.45 H new ATOM 0 HZ1 LYS A 28 -2.935 -4.022 -22.021 1.00 63.24 H new ATOM 0 HZ2 LYS A 28 -3.223 -4.878 -20.583 1.00 63.24 H new ATOM 0 HZ3 LYS A 28 -4.357 -3.742 -21.138 1.00 63.24 H new ATOM 414 N VAL A 29 -0.718 1.020 -15.513 1.00 0.40 N ATOM 415 CA VAL A 29 -0.603 2.480 -15.612 1.00 53.12 C ATOM 416 C VAL A 29 -0.125 2.891 -17.020 1.00 53.12 C ATOM 417 O VAL A 29 0.440 2.074 -17.750 1.00 3.13 O ATOM 418 CB VAL A 29 0.381 3.016 -14.533 1.00 42.11 C ATOM 419 CG1 VAL A 29 0.516 4.539 -14.586 1.00 43.32 C ATOM 420 CG2 VAL A 29 -0.060 2.569 -13.138 1.00 32.42 C ATOM 0 H VAL A 29 0.158 0.551 -15.280 1.00 0.40 H new ATOM 0 HA VAL A 29 -1.587 2.917 -15.439 1.00 53.12 H new ATOM 0 HB VAL A 29 1.362 2.593 -14.749 1.00 42.11 H new ATOM 0 HG11 VAL A 29 1.212 4.870 -13.815 1.00 43.32 H new ATOM 0 HG12 VAL A 29 0.890 4.837 -15.565 1.00 43.32 H new ATOM 0 HG13 VAL A 29 -0.458 4.997 -14.415 1.00 43.32 H new ATOM 0 HG21 VAL A 29 0.639 2.953 -12.395 1.00 32.42 H new ATOM 0 HG22 VAL A 29 -1.058 2.955 -12.931 1.00 32.42 H new ATOM 0 HG23 VAL A 29 -0.076 1.480 -13.093 1.00 32.42 H new ATOM 430 N ALA A 30 -0.367 4.145 -17.408 1.00 65.10 N ATOM 431 CA ALA A 30 0.049 4.643 -18.731 1.00 23.11 C ATOM 432 C ALA A 30 1.560 4.455 -18.963 1.00 14.33 C ATOM 433 O ALA A 30 1.979 3.715 -19.855 1.00 64.20 O ATOM 434 CB ALA A 30 -0.338 6.111 -18.886 1.00 42.40 C ATOM 0 H ALA A 30 -0.847 4.836 -16.831 1.00 65.10 H new ATOM 0 HA ALA A 30 -0.472 4.055 -19.487 1.00 23.11 H new ATOM 0 HB1 ALA A 30 -0.026 6.468 -19.867 1.00 42.40 H new ATOM 0 HB2 ALA A 30 -1.419 6.215 -18.789 1.00 42.40 H new ATOM 0 HB3 ALA A 30 0.154 6.701 -18.112 1.00 42.40 H new ATOM 440 N GLN A 31 2.373 5.128 -18.156 1.00 21.41 N ATOM 441 CA GLN A 31 3.831 4.964 -18.204 1.00 63.40 C ATOM 442 C GLN A 31 4.315 4.075 -17.049 1.00 50.42 C ATOM 443 O GLN A 31 3.860 4.226 -15.919 1.00 41.05 O ATOM 444 CB GLN A 31 4.514 6.335 -18.137 1.00 2.20 C ATOM 445 CG GLN A 31 4.157 7.251 -19.301 1.00 2.43 C ATOM 446 CD GLN A 31 4.745 8.644 -19.158 1.00 34.05 C ATOM 447 OE1 GLN A 31 5.848 8.918 -19.615 1.00 53.42 O ATOM 448 NE2 GLN A 31 4.020 9.535 -18.519 1.00 75.34 N ATOM 0 H GLN A 31 2.050 5.796 -17.456 1.00 21.41 H new ATOM 0 HA GLN A 31 4.095 4.479 -19.144 1.00 63.40 H new ATOM 0 HB2 GLN A 31 4.238 6.824 -17.203 1.00 2.20 H new ATOM 0 HB3 GLN A 31 5.594 6.193 -18.115 1.00 2.20 H new ATOM 0 HG2 GLN A 31 4.513 6.805 -20.230 1.00 2.43 H new ATOM 0 HG3 GLN A 31 3.072 7.326 -19.378 1.00 2.43 H new ATOM 0 HE21 GLN A 31 3.105 9.278 -18.149 1.00 75.34 H new ATOM 0 HE22 GLN A 31 4.373 10.484 -18.393 1.00 75.34 H new ATOM 457 N ALA A 32 5.234 3.155 -17.337 1.00 50.11 N ATOM 458 CA ALA A 32 5.750 2.223 -16.321 1.00 75.41 C ATOM 459 C ALA A 32 7.160 2.620 -15.855 1.00 3.53 C ATOM 460 O ALA A 32 7.407 2.827 -14.664 1.00 74.53 O ATOM 461 CB ALA A 32 5.756 0.800 -16.875 1.00 45.42 C ATOM 0 H ALA A 32 5.640 3.030 -18.264 1.00 50.11 H new ATOM 0 HA ALA A 32 5.090 2.270 -15.454 1.00 75.41 H new ATOM 0 HB1 ALA A 32 6.139 0.116 -16.117 1.00 45.42 H new ATOM 0 HB2 ALA A 32 4.740 0.510 -17.145 1.00 45.42 H new ATOM 0 HB3 ALA A 32 6.393 0.756 -17.759 1.00 45.42 H new ATOM 467 N GLU A 33 8.073 2.741 -16.812 1.00 22.43 N ATOM 468 CA GLU A 33 9.471 3.111 -16.543 1.00 11.30 C ATOM 469 C GLU A 33 9.596 4.522 -15.934 1.00 41.40 C ATOM 470 O GLU A 33 10.666 4.908 -15.456 1.00 62.10 O ATOM 471 CB GLU A 33 10.306 3.024 -17.839 1.00 5.03 C ATOM 472 CG GLU A 33 9.839 3.955 -18.970 1.00 21.45 C ATOM 473 CD GLU A 33 8.512 3.533 -19.597 1.00 21.44 C ATOM 474 OE1 GLU A 33 8.527 2.731 -20.551 1.00 51.31 O ATOM 475 OE2 GLU A 33 7.445 3.984 -19.123 1.00 34.42 O ATOM 0 H GLU A 33 7.871 2.587 -17.800 1.00 22.43 H new ATOM 0 HA GLU A 33 9.855 2.401 -15.810 1.00 11.30 H new ATOM 0 HB2 GLU A 33 11.344 3.256 -17.602 1.00 5.03 H new ATOM 0 HB3 GLU A 33 10.284 1.996 -18.201 1.00 5.03 H new ATOM 0 HG2 GLU A 33 9.741 4.968 -18.579 1.00 21.45 H new ATOM 0 HG3 GLU A 33 10.605 3.985 -19.745 1.00 21.45 H new ATOM 482 N TYR A 34 8.506 5.288 -15.959 1.00 51.24 N ATOM 483 CA TYR A 34 8.494 6.649 -15.397 1.00 51.24 C ATOM 484 C TYR A 34 7.798 6.709 -14.025 1.00 4.52 C ATOM 485 O TYR A 34 7.656 7.786 -13.445 1.00 32.43 O ATOM 486 CB TYR A 34 7.795 7.615 -16.365 1.00 33.55 C ATOM 487 CG TYR A 34 8.507 7.786 -17.695 1.00 71.34 C ATOM 488 CD1 TYR A 34 9.590 8.650 -17.822 1.00 75.14 C ATOM 489 CD2 TYR A 34 8.095 7.089 -18.824 1.00 11.35 C ATOM 490 CE1 TYR A 34 10.231 8.818 -19.034 1.00 11.32 C ATOM 491 CE2 TYR A 34 8.734 7.249 -20.038 1.00 11.12 C ATOM 492 CZ TYR A 34 9.802 8.113 -20.138 1.00 31.54 C ATOM 493 OH TYR A 34 10.439 8.283 -21.351 1.00 61.30 O ATOM 0 H TYR A 34 7.616 4.994 -16.362 1.00 51.24 H new ATOM 0 HA TYR A 34 9.534 6.945 -15.257 1.00 51.24 H new ATOM 0 HB2 TYR A 34 6.783 7.256 -16.551 1.00 33.55 H new ATOM 0 HB3 TYR A 34 7.705 8.590 -15.886 1.00 33.55 H new ATOM 0 HD1 TYR A 34 9.935 9.199 -16.958 1.00 75.14 H new ATOM 0 HD2 TYR A 34 7.259 6.409 -18.751 1.00 11.35 H new ATOM 0 HE1 TYR A 34 11.065 9.499 -19.116 1.00 11.32 H new ATOM 0 HE2 TYR A 34 8.398 6.699 -20.905 1.00 11.12 H new ATOM 0 HH TYR A 34 10.015 7.713 -22.026 1.00 61.30 H new ATOM 503 N VAL A 35 7.366 5.560 -13.505 1.00 4.55 N ATOM 504 CA VAL A 35 6.640 5.519 -12.225 1.00 2.54 C ATOM 505 C VAL A 35 7.570 5.740 -11.017 1.00 71.02 C ATOM 506 O VAL A 35 8.685 5.218 -10.963 1.00 34.50 O ATOM 507 CB VAL A 35 5.883 4.172 -12.048 1.00 61.43 C ATOM 508 CG1 VAL A 35 5.237 4.070 -10.666 1.00 51.31 C ATOM 509 CG2 VAL A 35 4.827 4.006 -13.134 1.00 32.11 C ATOM 0 H VAL A 35 7.502 4.649 -13.943 1.00 4.55 H new ATOM 0 HA VAL A 35 5.921 6.338 -12.259 1.00 2.54 H new ATOM 0 HB VAL A 35 6.614 3.369 -12.138 1.00 61.43 H new ATOM 0 HG11 VAL A 35 4.717 3.116 -10.577 1.00 51.31 H new ATOM 0 HG12 VAL A 35 6.008 4.136 -9.898 1.00 51.31 H new ATOM 0 HG13 VAL A 35 4.525 4.885 -10.536 1.00 51.31 H new ATOM 0 HG21 VAL A 35 4.307 3.058 -12.994 1.00 32.11 H new ATOM 0 HG22 VAL A 35 4.110 4.825 -13.073 1.00 32.11 H new ATOM 0 HG23 VAL A 35 5.307 4.016 -14.113 1.00 32.11 H new ATOM 519 N THR A 36 7.100 6.533 -10.050 1.00 2.43 N ATOM 520 CA THR A 36 7.819 6.740 -8.784 1.00 71.03 C ATOM 521 C THR A 36 7.004 6.196 -7.607 1.00 72.34 C ATOM 522 O THR A 36 5.974 6.763 -7.238 1.00 23.15 O ATOM 523 CB THR A 36 8.120 8.239 -8.528 1.00 72.35 C ATOM 524 OG1 THR A 36 8.889 8.778 -9.613 1.00 52.14 O ATOM 525 CG2 THR A 36 8.884 8.440 -7.223 1.00 45.52 C ATOM 0 H THR A 36 6.221 7.046 -10.118 1.00 2.43 H new ATOM 0 HA THR A 36 8.763 6.202 -8.867 1.00 71.03 H new ATOM 0 HB THR A 36 7.165 8.760 -8.453 1.00 72.35 H new ATOM 0 HG1 THR A 36 9.073 9.726 -9.444 1.00 52.14 H new ATOM 0 HG21 THR A 36 9.078 9.502 -7.075 1.00 45.52 H new ATOM 0 HG22 THR A 36 8.290 8.060 -6.392 1.00 45.52 H new ATOM 0 HG23 THR A 36 9.830 7.901 -7.269 1.00 45.52 H new ATOM 533 N VAL A 37 7.457 5.086 -7.027 1.00 30.04 N ATOM 534 CA VAL A 37 6.768 4.471 -5.882 1.00 64.53 C ATOM 535 C VAL A 37 7.744 4.084 -4.770 1.00 71.14 C ATOM 536 O VAL A 37 8.954 3.977 -4.990 1.00 12.14 O ATOM 537 CB VAL A 37 5.966 3.210 -6.294 1.00 1.20 C ATOM 538 CG1 VAL A 37 4.832 3.573 -7.248 1.00 4.12 C ATOM 539 CG2 VAL A 37 6.887 2.154 -6.908 1.00 24.23 C ATOM 0 H VAL A 37 8.297 4.591 -7.327 1.00 30.04 H new ATOM 0 HA VAL A 37 6.079 5.230 -5.511 1.00 64.53 H new ATOM 0 HB VAL A 37 5.522 2.783 -5.395 1.00 1.20 H new ATOM 0 HG11 VAL A 37 4.285 2.671 -7.522 1.00 4.12 H new ATOM 0 HG12 VAL A 37 4.155 4.274 -6.759 1.00 4.12 H new ATOM 0 HG13 VAL A 37 5.245 4.034 -8.145 1.00 4.12 H new ATOM 0 HG21 VAL A 37 6.301 1.279 -7.189 1.00 24.23 H new ATOM 0 HG22 VAL A 37 7.372 2.565 -7.793 1.00 24.23 H new ATOM 0 HG23 VAL A 37 7.645 1.865 -6.180 1.00 24.23 H new ATOM 549 N GLU A 38 7.200 3.871 -3.579 1.00 14.01 N ATOM 550 CA GLU A 38 7.984 3.423 -2.430 1.00 12.15 C ATOM 551 C GLU A 38 7.202 2.386 -1.616 1.00 1.12 C ATOM 552 O GLU A 38 6.015 2.159 -1.854 1.00 12.11 O ATOM 553 CB GLU A 38 8.376 4.621 -1.549 1.00 72.21 C ATOM 554 CG GLU A 38 7.197 5.429 -1.022 1.00 74.15 C ATOM 555 CD GLU A 38 7.632 6.643 -0.214 1.00 5.51 C ATOM 556 OE1 GLU A 38 7.836 6.512 1.010 1.00 73.34 O ATOM 557 OE2 GLU A 38 7.775 7.736 -0.805 1.00 71.31 O ATOM 0 H GLU A 38 6.208 4.002 -3.380 1.00 14.01 H new ATOM 0 HA GLU A 38 8.896 2.952 -2.796 1.00 12.15 H new ATOM 0 HB2 GLU A 38 8.959 4.258 -0.703 1.00 72.21 H new ATOM 0 HB3 GLU A 38 9.025 5.282 -2.124 1.00 72.21 H new ATOM 0 HG2 GLU A 38 6.583 5.757 -1.861 1.00 74.15 H new ATOM 0 HG3 GLU A 38 6.572 4.789 -0.400 1.00 74.15 H new ATOM 564 N LEU A 39 7.871 1.740 -0.672 1.00 2.11 N ATOM 565 CA LEU A 39 7.217 0.757 0.193 1.00 31.12 C ATOM 566 C LEU A 39 7.782 0.811 1.611 1.00 72.03 C ATOM 567 O LEU A 39 8.999 0.793 1.808 1.00 5.45 O ATOM 568 CB LEU A 39 7.342 -0.670 -0.378 1.00 42.12 C ATOM 569 CG LEU A 39 8.767 -1.247 -0.499 1.00 12.42 C ATOM 570 CD1 LEU A 39 8.719 -2.742 -0.808 1.00 21.15 C ATOM 571 CD2 LEU A 39 9.569 -0.515 -1.574 1.00 15.43 C ATOM 0 H LEU A 39 8.864 1.875 -0.482 1.00 2.11 H new ATOM 0 HA LEU A 39 6.159 1.014 0.232 1.00 31.12 H new ATOM 0 HB2 LEU A 39 6.756 -1.340 0.251 1.00 42.12 H new ATOM 0 HB3 LEU A 39 6.886 -0.681 -1.368 1.00 42.12 H new ATOM 0 HG LEU A 39 9.266 -1.102 0.459 1.00 12.42 H new ATOM 0 HD11 LEU A 39 9.735 -3.130 -0.889 1.00 21.15 H new ATOM 0 HD12 LEU A 39 8.195 -3.263 -0.006 1.00 21.15 H new ATOM 0 HD13 LEU A 39 8.193 -2.902 -1.749 1.00 21.15 H new ATOM 0 HD21 LEU A 39 10.569 -0.943 -1.637 1.00 15.43 H new ATOM 0 HD22 LEU A 39 9.068 -0.620 -2.536 1.00 15.43 H new ATOM 0 HD23 LEU A 39 9.642 0.542 -1.317 1.00 15.43 H new ATOM 583 N ASN A 40 6.889 0.909 2.598 1.00 55.21 N ATOM 584 CA ASN A 40 7.282 0.937 4.010 1.00 11.54 C ATOM 585 C ASN A 40 8.190 2.147 4.307 1.00 13.05 C ATOM 586 O ASN A 40 8.913 2.173 5.307 1.00 2.51 O ATOM 587 CB ASN A 40 7.984 -0.381 4.378 1.00 5.52 C ATOM 588 CG ASN A 40 7.101 -1.586 4.091 1.00 53.32 C ATOM 589 OD1 ASN A 40 5.885 -1.527 4.235 1.00 54.34 O ATOM 590 ND2 ASN A 40 7.697 -2.680 3.659 1.00 50.41 N ATOM 0 H ASN A 40 5.882 0.971 2.445 1.00 55.21 H new ATOM 0 HA ASN A 40 6.386 1.042 4.622 1.00 11.54 H new ATOM 0 HB2 ASN A 40 8.913 -0.468 3.815 1.00 5.52 H new ATOM 0 HB3 ASN A 40 8.251 -0.369 5.435 1.00 5.52 H new ATOM 0 HD21 ASN A 40 7.144 -3.507 3.435 1.00 50.41 H new ATOM 0 HD22 ASN A 40 8.711 -2.699 3.549 1.00 50.41 H new ATOM 597 N GLY A 41 8.119 3.162 3.438 1.00 54.13 N ATOM 598 CA GLY A 41 8.973 4.340 3.567 1.00 60.41 C ATOM 599 C GLY A 41 10.373 4.143 2.978 1.00 74.40 C ATOM 600 O GLY A 41 11.375 4.330 3.672 1.00 3.41 O ATOM 0 H GLY A 41 7.481 3.188 2.643 1.00 54.13 H new ATOM 0 HA2 GLY A 41 8.493 5.184 3.071 1.00 60.41 H new ATOM 0 HA3 GLY A 41 9.064 4.600 4.622 1.00 60.41 H new ATOM 604 N GLU A 42 10.443 3.768 1.700 1.00 13.22 N ATOM 605 CA GLU A 42 11.733 3.542 1.022 1.00 11.12 C ATOM 606 C GLU A 42 11.544 3.505 -0.509 1.00 14.01 C ATOM 607 O GLU A 42 10.734 2.731 -1.019 1.00 42.44 O ATOM 608 CB GLU A 42 12.368 2.224 1.509 1.00 73.41 C ATOM 609 CG GLU A 42 13.883 2.289 1.700 1.00 10.44 C ATOM 610 CD GLU A 42 14.633 2.740 0.456 1.00 70.23 C ATOM 611 OE1 GLU A 42 14.909 1.897 -0.420 1.00 63.33 O ATOM 612 OE2 GLU A 42 14.957 3.945 0.356 1.00 10.42 O ATOM 0 H GLU A 42 9.626 3.613 1.109 1.00 13.22 H new ATOM 0 HA GLU A 42 12.400 4.368 1.269 1.00 11.12 H new ATOM 0 HB2 GLU A 42 11.906 1.939 2.454 1.00 73.41 H new ATOM 0 HB3 GLU A 42 12.137 1.436 0.792 1.00 73.41 H new ATOM 0 HG2 GLU A 42 14.109 2.972 2.518 1.00 10.44 H new ATOM 0 HG3 GLU A 42 14.246 1.305 1.997 1.00 10.44 H new ATOM 619 N VAL A 43 12.302 4.330 -1.237 1.00 35.40 N ATOM 620 CA VAL A 43 12.137 4.457 -2.698 1.00 52.15 C ATOM 621 C VAL A 43 13.122 3.562 -3.480 1.00 55.45 C ATOM 622 O VAL A 43 14.310 3.486 -3.158 1.00 74.31 O ATOM 623 CB VAL A 43 12.297 5.936 -3.151 1.00 32.21 C ATOM 624 CG1 VAL A 43 13.697 6.466 -2.834 1.00 33.21 C ATOM 625 CG2 VAL A 43 11.979 6.087 -4.640 1.00 31.42 C ATOM 0 H VAL A 43 13.035 4.921 -0.845 1.00 35.40 H new ATOM 0 HA VAL A 43 11.126 4.119 -2.926 1.00 52.15 H new ATOM 0 HB VAL A 43 11.581 6.536 -2.589 1.00 32.21 H new ATOM 0 HG11 VAL A 43 13.777 7.502 -3.163 1.00 33.21 H new ATOM 0 HG12 VAL A 43 13.872 6.412 -1.759 1.00 33.21 H new ATOM 0 HG13 VAL A 43 14.441 5.862 -3.354 1.00 33.21 H new ATOM 0 HG21 VAL A 43 12.098 7.130 -4.933 1.00 31.42 H new ATOM 0 HG22 VAL A 43 12.660 5.466 -5.222 1.00 31.42 H new ATOM 0 HG23 VAL A 43 10.952 5.772 -4.826 1.00 31.42 H new ATOM 635 N LEU A 44 12.615 2.885 -4.515 1.00 2.02 N ATOM 636 CA LEU A 44 13.423 1.948 -5.318 1.00 4.33 C ATOM 637 C LEU A 44 13.668 2.457 -6.749 1.00 13.23 C ATOM 638 O LEU A 44 13.036 3.408 -7.215 1.00 42.32 O ATOM 639 CB LEU A 44 12.743 0.563 -5.374 1.00 1.24 C ATOM 640 CG LEU A 44 13.044 -0.391 -4.199 1.00 73.03 C ATOM 641 CD1 LEU A 44 14.509 -0.830 -4.217 1.00 14.52 C ATOM 642 CD2 LEU A 44 12.693 0.252 -2.859 1.00 60.21 C ATOM 0 H LEU A 44 11.645 2.966 -4.821 1.00 2.02 H new ATOM 0 HA LEU A 44 14.392 1.867 -4.825 1.00 4.33 H new ATOM 0 HB2 LEU A 44 11.665 0.713 -5.426 1.00 1.24 H new ATOM 0 HB3 LEU A 44 13.042 0.072 -6.300 1.00 1.24 H new ATOM 0 HG LEU A 44 12.418 -1.275 -4.321 1.00 73.03 H new ATOM 0 HD11 LEU A 44 14.698 -1.502 -3.380 1.00 14.52 H new ATOM 0 HD12 LEU A 44 14.722 -1.347 -5.152 1.00 14.52 H new ATOM 0 HD13 LEU A 44 15.152 0.046 -4.132 1.00 14.52 H new ATOM 0 HD21 LEU A 44 12.916 -0.445 -2.051 1.00 60.21 H new ATOM 0 HD22 LEU A 44 13.280 1.161 -2.727 1.00 60.21 H new ATOM 0 HD23 LEU A 44 11.632 0.500 -2.841 1.00 60.21 H new ATOM 654 N GLU A 45 14.604 1.808 -7.435 1.00 4.01 N ATOM 655 CA GLU A 45 14.889 2.094 -8.845 1.00 24.24 C ATOM 656 C GLU A 45 13.834 1.449 -9.762 1.00 24.41 C ATOM 657 O GLU A 45 13.287 0.394 -9.444 1.00 11.31 O ATOM 658 CB GLU A 45 16.290 1.570 -9.194 1.00 14.13 C ATOM 659 CG GLU A 45 16.675 1.726 -10.662 1.00 12.34 C ATOM 660 CD GLU A 45 18.046 1.150 -10.962 1.00 34.20 C ATOM 661 OE1 GLU A 45 18.153 -0.081 -11.144 1.00 34.02 O ATOM 662 OE2 GLU A 45 19.026 1.922 -11.000 1.00 65.21 O ATOM 0 H GLU A 45 15.186 1.072 -7.035 1.00 4.01 H new ATOM 0 HA GLU A 45 14.852 3.172 -9.001 1.00 24.24 H new ATOM 0 HB2 GLU A 45 17.023 2.094 -8.581 1.00 14.13 H new ATOM 0 HB3 GLU A 45 16.347 0.515 -8.926 1.00 14.13 H new ATOM 0 HG2 GLU A 45 15.931 1.230 -11.285 1.00 12.34 H new ATOM 0 HG3 GLU A 45 16.661 2.783 -10.929 1.00 12.34 H new ATOM 669 N ARG A 46 13.563 2.072 -10.910 1.00 53.44 N ATOM 670 CA ARG A 46 12.521 1.575 -11.827 1.00 2.10 C ATOM 671 C ARG A 46 12.872 0.189 -12.396 1.00 51.54 C ATOM 672 O ARG A 46 12.008 -0.684 -12.496 1.00 14.00 O ATOM 673 CB ARG A 46 12.252 2.575 -12.964 1.00 45.52 C ATOM 674 CG ARG A 46 11.465 3.814 -12.526 1.00 34.10 C ATOM 675 CD ARG A 46 12.224 4.632 -11.488 1.00 24.42 C ATOM 676 NE ARG A 46 11.440 5.733 -10.942 1.00 72.43 N ATOM 677 CZ ARG A 46 11.848 6.488 -9.958 1.00 13.14 C ATOM 678 NH1 ARG A 46 13.002 6.285 -9.402 1.00 52.32 N ATOM 679 NH2 ARG A 46 11.109 7.454 -9.529 1.00 3.22 N ATOM 0 H ARG A 46 14.042 2.914 -11.230 1.00 53.44 H new ATOM 0 HA ARG A 46 11.608 1.471 -11.241 1.00 2.10 H new ATOM 0 HB2 ARG A 46 13.204 2.893 -13.388 1.00 45.52 H new ATOM 0 HB3 ARG A 46 11.702 2.069 -13.758 1.00 45.52 H new ATOM 0 HG2 ARG A 46 11.255 4.437 -13.396 1.00 34.10 H new ATOM 0 HG3 ARG A 46 10.504 3.507 -12.114 1.00 34.10 H new ATOM 0 HD2 ARG A 46 12.535 3.977 -10.674 1.00 24.42 H new ATOM 0 HD3 ARG A 46 13.132 5.030 -11.941 1.00 24.42 H new ATOM 0 HE ARG A 46 10.525 5.924 -11.350 1.00 72.43 H new ATOM 0 HH11 ARG A 46 13.602 5.529 -9.733 1.00 52.32 H new ATOM 0 HH12 ARG A 46 13.310 6.881 -8.634 1.00 52.32 H new ATOM 0 HH21 ARG A 46 10.201 7.631 -9.959 1.00 3.22 H new ATOM 0 HH22 ARG A 46 11.432 8.041 -8.760 1.00 3.22 H new ATOM 693 N GLU A 47 14.136 -0.016 -12.757 1.00 55.14 N ATOM 694 CA GLU A 47 14.598 -1.342 -13.188 1.00 62.24 C ATOM 695 C GLU A 47 14.570 -2.344 -12.020 1.00 42.34 C ATOM 696 O GLU A 47 14.371 -3.546 -12.214 1.00 74.30 O ATOM 697 CB GLU A 47 16.012 -1.260 -13.782 1.00 4.43 C ATOM 698 CG GLU A 47 16.080 -0.503 -15.104 1.00 42.22 C ATOM 699 CD GLU A 47 17.466 -0.539 -15.729 1.00 32.34 C ATOM 700 OE1 GLU A 47 17.748 -1.473 -16.509 1.00 74.12 O ATOM 701 OE2 GLU A 47 18.280 0.364 -15.442 1.00 45.20 O ATOM 0 H GLU A 47 14.855 0.707 -12.762 1.00 55.14 H new ATOM 0 HA GLU A 47 13.916 -1.696 -13.961 1.00 62.24 H new ATOM 0 HB2 GLU A 47 16.671 -0.775 -13.062 1.00 4.43 H new ATOM 0 HB3 GLU A 47 16.392 -2.270 -13.932 1.00 4.43 H new ATOM 0 HG2 GLU A 47 15.360 -0.932 -15.801 1.00 42.22 H new ATOM 0 HG3 GLU A 47 15.786 0.534 -14.940 1.00 42.22 H new ATOM 708 N ALA A 48 14.759 -1.837 -10.804 1.00 41.13 N ATOM 709 CA ALA A 48 14.708 -2.671 -9.597 1.00 73.44 C ATOM 710 C ALA A 48 13.290 -3.210 -9.341 1.00 71.31 C ATOM 711 O ALA A 48 13.110 -4.187 -8.613 1.00 31.42 O ATOM 712 CB ALA A 48 15.204 -1.882 -8.388 1.00 65.43 C ATOM 0 H ALA A 48 14.949 -0.851 -10.624 1.00 41.13 H new ATOM 0 HA ALA A 48 15.363 -3.527 -9.756 1.00 73.44 H new ATOM 0 HB1 ALA A 48 15.161 -2.512 -7.500 1.00 65.43 H new ATOM 0 HB2 ALA A 48 16.233 -1.564 -8.558 1.00 65.43 H new ATOM 0 HB3 ALA A 48 14.573 -1.005 -8.242 1.00 65.43 H new ATOM 718 N PHE A 49 12.285 -2.574 -9.943 1.00 43.31 N ATOM 719 CA PHE A 49 10.893 -3.028 -9.812 1.00 31.53 C ATOM 720 C PHE A 49 10.704 -4.444 -10.389 1.00 74.30 C ATOM 721 O PHE A 49 9.847 -5.202 -9.929 1.00 61.32 O ATOM 722 CB PHE A 49 9.933 -2.052 -10.514 1.00 44.35 C ATOM 723 CG PHE A 49 9.894 -0.661 -9.920 1.00 44.53 C ATOM 724 CD1 PHE A 49 10.353 -0.414 -8.632 1.00 64.15 C ATOM 725 CD2 PHE A 49 9.381 0.401 -10.654 1.00 24.05 C ATOM 726 CE1 PHE A 49 10.303 0.859 -8.095 1.00 12.14 C ATOM 727 CE2 PHE A 49 9.333 1.674 -10.120 1.00 25.24 C ATOM 728 CZ PHE A 49 9.793 1.904 -8.841 1.00 3.12 C ATOM 0 H PHE A 49 12.404 -1.745 -10.525 1.00 43.31 H new ATOM 0 HA PHE A 49 10.661 -3.056 -8.747 1.00 31.53 H new ATOM 0 HB2 PHE A 49 10.218 -1.976 -11.563 1.00 44.35 H new ATOM 0 HB3 PHE A 49 8.927 -2.471 -10.487 1.00 44.35 H new ATOM 0 HD1 PHE A 49 10.754 -1.226 -8.043 1.00 64.15 H new ATOM 0 HD2 PHE A 49 9.015 0.229 -11.655 1.00 24.05 H new ATOM 0 HE1 PHE A 49 10.663 1.037 -7.092 1.00 12.14 H new ATOM 0 HE2 PHE A 49 8.935 2.490 -10.705 1.00 25.24 H new ATOM 0 HZ PHE A 49 9.755 2.899 -8.423 1.00 3.12 H new ATOM 738 N ASP A 50 11.498 -4.786 -11.408 1.00 61.45 N ATOM 739 CA ASP A 50 11.472 -6.130 -12.000 1.00 10.12 C ATOM 740 C ASP A 50 12.072 -7.177 -11.049 1.00 31.42 C ATOM 741 O ASP A 50 11.612 -8.315 -10.993 1.00 65.25 O ATOM 742 CB ASP A 50 12.232 -6.140 -13.333 1.00 43.32 C ATOM 743 CG ASP A 50 11.544 -5.309 -14.399 1.00 15.33 C ATOM 744 OD1 ASP A 50 11.628 -4.067 -14.335 1.00 11.33 O ATOM 745 OD2 ASP A 50 10.912 -5.892 -15.306 1.00 70.43 O ATOM 0 H ASP A 50 12.168 -4.151 -11.842 1.00 61.45 H new ATOM 0 HA ASP A 50 10.429 -6.392 -12.177 1.00 10.12 H new ATOM 0 HB2 ASP A 50 13.241 -5.760 -13.175 1.00 43.32 H new ATOM 0 HB3 ASP A 50 12.330 -7.167 -13.684 1.00 43.32 H new ATOM 750 N ALA A 51 13.102 -6.787 -10.301 1.00 21.11 N ATOM 751 CA ALA A 51 13.783 -7.706 -9.380 1.00 43.12 C ATOM 752 C ALA A 51 13.079 -7.788 -8.014 1.00 54.41 C ATOM 753 O ALA A 51 13.119 -8.823 -7.345 1.00 73.31 O ATOM 754 CB ALA A 51 15.236 -7.280 -9.198 1.00 60.32 C ATOM 0 H ALA A 51 13.486 -5.842 -10.312 1.00 21.11 H new ATOM 0 HA ALA A 51 13.746 -8.701 -9.824 1.00 43.12 H new ATOM 0 HB1 ALA A 51 15.734 -7.967 -8.513 1.00 60.32 H new ATOM 0 HB2 ALA A 51 15.744 -7.297 -10.162 1.00 60.32 H new ATOM 0 HB3 ALA A 51 15.271 -6.271 -8.788 1.00 60.32 H new ATOM 760 N THR A 52 12.429 -6.699 -7.609 1.00 44.40 N ATOM 761 CA THR A 52 11.786 -6.616 -6.288 1.00 42.44 C ATOM 762 C THR A 52 10.400 -7.277 -6.285 1.00 44.34 C ATOM 763 O THR A 52 9.474 -6.801 -6.942 1.00 53.10 O ATOM 764 CB THR A 52 11.641 -5.144 -5.824 1.00 50.50 C ATOM 765 OG1 THR A 52 12.920 -4.491 -5.852 1.00 63.45 O ATOM 766 CG2 THR A 52 11.062 -5.060 -4.413 1.00 34.22 C ATOM 0 H THR A 52 12.330 -5.856 -8.175 1.00 44.40 H new ATOM 0 HA THR A 52 12.435 -7.153 -5.596 1.00 42.44 H new ATOM 0 HB THR A 52 10.956 -4.646 -6.509 1.00 50.50 H new ATOM 0 HG1 THR A 52 13.161 -4.283 -6.779 1.00 63.45 H new ATOM 0 HG21 THR A 52 10.973 -4.014 -4.118 1.00 34.22 H new ATOM 0 HG22 THR A 52 10.077 -5.527 -4.395 1.00 34.22 H new ATOM 0 HG23 THR A 52 11.722 -5.579 -3.717 1.00 34.22 H new ATOM 774 N THR A 53 10.268 -8.372 -5.540 1.00 3.31 N ATOM 775 CA THR A 53 9.000 -9.110 -5.452 1.00 3.32 C ATOM 776 C THR A 53 8.191 -8.712 -4.208 1.00 51.53 C ATOM 777 O THR A 53 8.744 -8.508 -3.123 1.00 73.04 O ATOM 778 CB THR A 53 9.242 -10.640 -5.432 1.00 42.13 C ATOM 779 OG1 THR A 53 9.968 -11.040 -6.607 1.00 13.54 O ATOM 780 CG2 THR A 53 7.927 -11.413 -5.364 1.00 54.35 C ATOM 0 H THR A 53 11.024 -8.773 -4.985 1.00 3.31 H new ATOM 0 HA THR A 53 8.426 -8.846 -6.341 1.00 3.32 H new ATOM 0 HB THR A 53 9.824 -10.871 -4.540 1.00 42.13 H new ATOM 0 HG1 THR A 53 9.504 -10.713 -7.406 1.00 13.54 H new ATOM 0 HG21 THR A 53 8.134 -12.483 -5.352 1.00 54.35 H new ATOM 0 HG22 THR A 53 7.389 -11.137 -4.457 1.00 54.35 H new ATOM 0 HG23 THR A 53 7.318 -11.172 -6.235 1.00 54.35 H new ATOM 788 N VAL A 54 6.875 -8.611 -4.373 1.00 62.51 N ATOM 789 CA VAL A 54 5.969 -8.223 -3.285 1.00 41.32 C ATOM 790 C VAL A 54 5.465 -9.461 -2.513 1.00 30.51 C ATOM 791 O VAL A 54 5.525 -10.590 -3.011 1.00 44.44 O ATOM 792 CB VAL A 54 4.762 -7.419 -3.839 1.00 44.31 C ATOM 793 CG1 VAL A 54 3.937 -6.807 -2.712 1.00 41.52 C ATOM 794 CG2 VAL A 54 5.237 -6.335 -4.807 1.00 21.45 C ATOM 0 H VAL A 54 6.404 -8.794 -5.259 1.00 62.51 H new ATOM 0 HA VAL A 54 6.530 -7.591 -2.596 1.00 41.32 H new ATOM 0 HB VAL A 54 4.121 -8.114 -4.382 1.00 44.31 H new ATOM 0 HG11 VAL A 54 3.100 -6.251 -3.134 1.00 41.52 H new ATOM 0 HG12 VAL A 54 3.558 -7.600 -2.067 1.00 41.52 H new ATOM 0 HG13 VAL A 54 4.563 -6.132 -2.128 1.00 41.52 H new ATOM 0 HG21 VAL A 54 4.377 -5.782 -5.185 1.00 21.45 H new ATOM 0 HG22 VAL A 54 5.908 -5.651 -4.287 1.00 21.45 H new ATOM 0 HG23 VAL A 54 5.765 -6.798 -5.641 1.00 21.45 H new ATOM 804 N LYS A 55 4.976 -9.245 -1.293 1.00 4.31 N ATOM 805 CA LYS A 55 4.528 -10.340 -0.425 1.00 34.32 C ATOM 806 C LYS A 55 3.265 -9.963 0.363 1.00 33.14 C ATOM 807 O LYS A 55 2.851 -8.801 0.381 1.00 2.15 O ATOM 808 CB LYS A 55 5.660 -10.716 0.540 1.00 20.35 C ATOM 809 CG LYS A 55 6.259 -9.512 1.262 1.00 72.13 C ATOM 810 CD LYS A 55 7.405 -9.903 2.190 1.00 50.23 C ATOM 811 CE LYS A 55 8.058 -8.677 2.820 1.00 34.33 C ATOM 812 NZ LYS A 55 8.614 -7.753 1.793 1.00 41.43 N ATOM 0 H LYS A 55 4.879 -8.318 -0.879 1.00 4.31 H new ATOM 0 HA LYS A 55 4.276 -11.193 -1.054 1.00 34.32 H new ATOM 0 HB2 LYS A 55 5.280 -11.422 1.278 1.00 20.35 H new ATOM 0 HB3 LYS A 55 6.447 -11.227 -0.015 1.00 20.35 H new ATOM 0 HG2 LYS A 55 6.620 -8.793 0.527 1.00 72.13 H new ATOM 0 HG3 LYS A 55 5.481 -9.014 1.840 1.00 72.13 H new ATOM 0 HD2 LYS A 55 7.031 -10.561 2.975 1.00 50.23 H new ATOM 0 HD3 LYS A 55 8.151 -10.467 1.630 1.00 50.23 H new ATOM 0 HE2 LYS A 55 7.324 -8.146 3.426 1.00 34.33 H new ATOM 0 HE3 LYS A 55 8.855 -8.995 3.491 1.00 34.33 H new ATOM 0 HZ1 LYS A 55 9.247 -7.066 2.250 1.00 41.43 H new ATOM 0 HZ2 LYS A 55 9.148 -8.299 1.087 1.00 41.43 H new ATOM 0 HZ3 LYS A 55 7.836 -7.247 1.323 1.00 41.43 H new ATOM 826 N ASP A 56 2.659 -10.951 1.020 1.00 63.34 N ATOM 827 CA ASP A 56 1.451 -10.724 1.815 1.00 31.34 C ATOM 828 C ASP A 56 1.773 -9.927 3.090 1.00 31.44 C ATOM 829 O ASP A 56 2.441 -10.424 4.002 1.00 23.43 O ATOM 830 CB ASP A 56 0.791 -12.063 2.174 1.00 3.43 C ATOM 831 CG ASP A 56 -0.531 -11.879 2.899 1.00 35.31 C ATOM 832 OD1 ASP A 56 -1.541 -11.586 2.229 1.00 20.43 O ATOM 833 OD2 ASP A 56 -0.568 -12.034 4.138 1.00 52.41 O ATOM 0 H ASP A 56 2.985 -11.918 1.018 1.00 63.34 H new ATOM 0 HA ASP A 56 0.754 -10.138 1.216 1.00 31.34 H new ATOM 0 HB2 ASP A 56 0.626 -12.640 1.264 1.00 3.43 H new ATOM 0 HB3 ASP A 56 1.469 -12.643 2.801 1.00 3.43 H new ATOM 838 N GLY A 57 1.294 -8.690 3.144 1.00 1.11 N ATOM 839 CA GLY A 57 1.603 -7.805 4.262 1.00 52.21 C ATOM 840 C GLY A 57 2.750 -6.853 3.940 1.00 31.31 C ATOM 841 O GLY A 57 3.618 -6.596 4.778 1.00 20.41 O ATOM 0 H GLY A 57 0.693 -8.278 2.431 1.00 1.11 H new ATOM 0 HA2 GLY A 57 0.716 -7.228 4.523 1.00 52.21 H new ATOM 0 HA3 GLY A 57 1.863 -8.403 5.136 1.00 52.21 H new ATOM 845 N ASP A 58 2.760 -6.344 2.711 1.00 30.43 N ATOM 846 CA ASP A 58 3.790 -5.407 2.254 1.00 11.15 C ATOM 847 C ASP A 58 3.135 -4.100 1.767 1.00 71.32 C ATOM 848 O ASP A 58 1.907 -3.992 1.715 1.00 13.43 O ATOM 849 CB ASP A 58 4.614 -6.059 1.127 1.00 25.32 C ATOM 850 CG ASP A 58 6.048 -5.552 1.051 1.00 51.14 C ATOM 851 OD1 ASP A 58 6.378 -4.559 1.734 1.00 64.24 O ATOM 852 OD2 ASP A 58 6.860 -6.166 0.323 1.00 50.34 O ATOM 0 H ASP A 58 2.059 -6.566 2.004 1.00 30.43 H new ATOM 0 HA ASP A 58 4.457 -5.166 3.082 1.00 11.15 H new ATOM 0 HB2 ASP A 58 4.626 -7.139 1.275 1.00 25.32 H new ATOM 0 HB3 ASP A 58 4.120 -5.873 0.173 1.00 25.32 H new ATOM 857 N ALA A 59 3.942 -3.109 1.408 1.00 52.23 N ATOM 858 CA ALA A 59 3.406 -1.815 0.967 1.00 53.24 C ATOM 859 C ALA A 59 3.679 -1.543 -0.517 1.00 52.52 C ATOM 860 O ALA A 59 4.717 -1.920 -1.053 1.00 13.31 O ATOM 861 CB ALA A 59 3.980 -0.691 1.823 1.00 12.31 C ATOM 0 H ALA A 59 4.960 -3.169 1.411 1.00 52.23 H new ATOM 0 HA ALA A 59 2.324 -1.854 1.092 1.00 53.24 H new ATOM 0 HB1 ALA A 59 3.576 0.264 1.488 1.00 12.31 H new ATOM 0 HB2 ALA A 59 3.709 -0.853 2.866 1.00 12.31 H new ATOM 0 HB3 ALA A 59 5.066 -0.679 1.728 1.00 12.31 H new ATOM 867 N VAL A 60 2.718 -0.901 -1.178 1.00 61.04 N ATOM 868 CA VAL A 60 2.892 -0.419 -2.552 1.00 41.13 C ATOM 869 C VAL A 60 2.454 1.052 -2.644 1.00 31.14 C ATOM 870 O VAL A 60 1.414 1.386 -3.217 1.00 33.34 O ATOM 871 CB VAL A 60 2.118 -1.289 -3.586 1.00 52.35 C ATOM 872 CG1 VAL A 60 2.712 -2.696 -3.664 1.00 75.24 C ATOM 873 CG2 VAL A 60 0.625 -1.353 -3.251 1.00 43.04 C ATOM 0 H VAL A 60 1.800 -0.700 -0.781 1.00 61.04 H new ATOM 0 HA VAL A 60 3.950 -0.500 -2.802 1.00 41.13 H new ATOM 0 HB VAL A 60 2.223 -0.816 -4.562 1.00 52.35 H new ATOM 0 HG11 VAL A 60 2.156 -3.286 -4.392 1.00 75.24 H new ATOM 0 HG12 VAL A 60 3.756 -2.634 -3.969 1.00 75.24 H new ATOM 0 HG13 VAL A 60 2.648 -3.173 -2.686 1.00 75.24 H new ATOM 0 HG21 VAL A 60 0.112 -1.967 -3.991 1.00 43.04 H new ATOM 0 HG22 VAL A 60 0.493 -1.790 -2.261 1.00 43.04 H new ATOM 0 HG23 VAL A 60 0.206 -0.347 -3.262 1.00 43.04 H new ATOM 883 N GLU A 61 3.251 1.937 -2.053 1.00 51.44 N ATOM 884 CA GLU A 61 2.875 3.345 -1.917 1.00 60.31 C ATOM 885 C GLU A 61 2.914 4.073 -3.269 1.00 41.22 C ATOM 886 O GLU A 61 3.908 4.699 -3.640 1.00 11.45 O ATOM 887 CB GLU A 61 3.773 4.031 -0.875 1.00 42.12 C ATOM 888 CG GLU A 61 3.684 3.376 0.505 1.00 3.43 C ATOM 889 CD GLU A 61 4.587 4.018 1.552 1.00 62.22 C ATOM 890 OE1 GLU A 61 4.175 5.035 2.153 1.00 35.13 O ATOM 891 OE2 GLU A 61 5.696 3.497 1.797 1.00 62.11 O ATOM 0 H GLU A 61 4.163 1.706 -1.659 1.00 51.44 H new ATOM 0 HA GLU A 61 1.844 3.395 -1.566 1.00 60.31 H new ATOM 0 HB2 GLU A 61 4.807 4.005 -1.219 1.00 42.12 H new ATOM 0 HB3 GLU A 61 3.491 5.081 -0.793 1.00 42.12 H new ATOM 0 HG2 GLU A 61 2.652 3.422 0.852 1.00 3.43 H new ATOM 0 HG3 GLU A 61 3.943 2.321 0.413 1.00 3.43 H new ATOM 898 N PHE A 62 1.823 3.930 -4.019 1.00 34.45 N ATOM 899 CA PHE A 62 1.657 4.587 -5.315 1.00 4.03 C ATOM 900 C PHE A 62 1.296 6.070 -5.159 1.00 73.45 C ATOM 901 O PHE A 62 0.121 6.427 -5.054 1.00 33.21 O ATOM 902 CB PHE A 62 0.568 3.868 -6.130 1.00 13.42 C ATOM 903 CG PHE A 62 1.113 2.918 -7.154 1.00 34.22 C ATOM 904 CD1 PHE A 62 1.498 3.389 -8.396 1.00 11.32 C ATOM 905 CD2 PHE A 62 1.233 1.565 -6.883 1.00 12.40 C ATOM 906 CE1 PHE A 62 1.998 2.530 -9.353 1.00 21.31 C ATOM 907 CE2 PHE A 62 1.732 0.698 -7.835 1.00 13.44 C ATOM 908 CZ PHE A 62 2.112 1.182 -9.075 1.00 0.21 C ATOM 0 H PHE A 62 1.027 3.354 -3.745 1.00 34.45 H new ATOM 0 HA PHE A 62 2.610 4.530 -5.841 1.00 4.03 H new ATOM 0 HB2 PHE A 62 -0.082 3.320 -5.448 1.00 13.42 H new ATOM 0 HB3 PHE A 62 -0.051 4.613 -6.631 1.00 13.42 H new ATOM 0 HD1 PHE A 62 1.406 4.442 -8.619 1.00 11.32 H new ATOM 0 HD2 PHE A 62 0.933 1.184 -5.918 1.00 12.40 H new ATOM 0 HE1 PHE A 62 2.300 2.911 -10.318 1.00 21.31 H new ATOM 0 HE2 PHE A 62 1.826 -0.355 -7.613 1.00 13.44 H new ATOM 0 HZ PHE A 62 2.497 0.506 -9.824 1.00 0.21 H new ATOM 918 N LEU A 63 2.298 6.937 -5.149 1.00 25.41 N ATOM 919 CA LEU A 63 2.048 8.362 -4.946 1.00 35.05 C ATOM 920 C LEU A 63 1.630 9.066 -6.249 1.00 73.24 C ATOM 921 O LEU A 63 2.464 9.566 -7.002 1.00 61.13 O ATOM 922 CB LEU A 63 3.255 9.075 -4.293 1.00 42.13 C ATOM 923 CG LEU A 63 4.647 8.755 -4.884 1.00 72.30 C ATOM 924 CD1 LEU A 63 5.566 9.975 -4.808 1.00 24.24 C ATOM 925 CD2 LEU A 63 5.294 7.569 -4.159 1.00 2.44 C ATOM 0 H LEU A 63 3.279 6.687 -5.277 1.00 25.41 H new ATOM 0 HA LEU A 63 1.210 8.432 -4.252 1.00 35.05 H new ATOM 0 HB2 LEU A 63 3.094 10.151 -4.362 1.00 42.13 H new ATOM 0 HB3 LEU A 63 3.268 8.822 -3.233 1.00 42.13 H new ATOM 0 HG LEU A 63 4.505 8.487 -5.931 1.00 72.30 H new ATOM 0 HD11 LEU A 63 6.539 9.724 -5.230 1.00 24.24 H new ATOM 0 HD12 LEU A 63 5.127 10.797 -5.373 1.00 24.24 H new ATOM 0 HD13 LEU A 63 5.688 10.274 -3.767 1.00 24.24 H new ATOM 0 HD21 LEU A 63 6.272 7.366 -4.595 1.00 2.44 H new ATOM 0 HD22 LEU A 63 5.411 7.808 -3.102 1.00 2.44 H new ATOM 0 HD23 LEU A 63 4.660 6.689 -4.264 1.00 2.44 H new