USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 61 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.5!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0489 K(o=-0.049,f=-1.8!) USER MOD Single : A 5 ASN : amide:sc= -0.428 K(o=-0.43,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.48) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 82 MET CE :methyl -135:sc= 0 (180deg=-0.591) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -147:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= 0.382 (180deg=-0.016) USER MOD Single : A 91 SER OG : rot -140:sc= -1.18 USER MOD Single : A 92 ASN : amide:sc= -2.57 K(o=-2.6,f=-3.7!) USER MOD Single : A 93 TYR OH : rot -60:sc= -0.753 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.195 -1.623 -1.338 1.00 74.23 N ATOM 9 CA SER A 2 5.423 -2.361 -1.603 1.00 11.03 C ATOM 10 C SER A 2 5.245 -3.844 -1.292 1.00 41.01 C ATOM 11 O SER A 2 4.803 -4.212 -0.204 1.00 44.32 O ATOM 12 CB SER A 2 6.575 -1.789 -0.774 1.00 22.12 C ATOM 13 OG SER A 2 7.620 -2.736 -0.631 1.00 73.30 O ATOM 0 HA SER A 2 5.659 -2.256 -2.662 1.00 11.03 H new ATOM 0 HB2 SER A 2 6.959 -0.888 -1.253 1.00 22.12 H new ATOM 0 HB3 SER A 2 6.209 -1.496 0.210 1.00 22.12 H new ATOM 0 HG SER A 2 8.345 -2.346 -0.099 1.00 73.30 H new ATOM 19 N ALA A 3 5.593 -4.691 -2.256 1.00 51.41 N ATOM 20 CA ALA A 3 5.474 -6.132 -2.085 1.00 32.33 C ATOM 21 C ALA A 3 4.077 -6.516 -1.609 1.00 62.44 C ATOM 22 O ALA A 3 3.908 -7.044 -0.511 1.00 51.42 O ATOM 23 CB ALA A 3 6.523 -6.637 -1.105 1.00 64.00 C ATOM 0 H ALA A 3 5.960 -4.403 -3.163 1.00 51.41 H new ATOM 0 HA ALA A 3 5.642 -6.601 -3.054 1.00 32.33 H new ATOM 0 HB1 ALA A 3 6.422 -7.716 -0.987 1.00 64.00 H new ATOM 0 HB2 ALA A 3 7.518 -6.405 -1.486 1.00 64.00 H new ATOM 0 HB3 ALA A 3 6.382 -6.152 -0.139 1.00 64.00 H new ATOM 29 N GLN A 4 3.078 -6.247 -2.445 1.00 3.32 N ATOM 30 CA GLN A 4 1.695 -6.563 -2.109 1.00 15.42 C ATOM 31 C GLN A 4 1.308 -7.940 -2.635 1.00 74.41 C ATOM 32 O GLN A 4 1.653 -8.306 -3.758 1.00 12.31 O ATOM 33 CB GLN A 4 0.753 -5.501 -2.681 1.00 3.24 C ATOM 34 CG GLN A 4 -0.707 -5.730 -2.327 1.00 64.51 C ATOM 35 CD GLN A 4 -1.077 -5.156 -0.973 1.00 23.21 C ATOM 36 OE1 GLN A 4 -0.258 -4.515 -0.314 1.00 54.34 O ATOM 37 NE2 GLN A 4 -2.314 -5.385 -0.551 1.00 70.23 N ATOM 0 H GLN A 4 3.201 -5.811 -3.359 1.00 3.32 H new ATOM 0 HA GLN A 4 1.604 -6.571 -1.023 1.00 15.42 H new ATOM 0 HB2 GLN A 4 1.058 -4.521 -2.314 1.00 3.24 H new ATOM 0 HB3 GLN A 4 0.857 -5.482 -3.766 1.00 3.24 H new ATOM 0 HG2 GLN A 4 -1.338 -5.279 -3.093 1.00 64.51 H new ATOM 0 HG3 GLN A 4 -0.915 -6.800 -2.333 1.00 64.51 H new ATOM 0 HE21 GLN A 4 -2.959 -5.922 -1.131 1.00 70.23 H new ATOM 0 HE22 GLN A 4 -2.619 -5.024 0.353 1.00 70.23 H new ATOM 46 N ASN A 5 0.589 -8.701 -1.816 1.00 53.21 N ATOM 47 CA ASN A 5 0.155 -10.040 -2.199 1.00 2.41 C ATOM 48 C ASN A 5 -1.205 -9.994 -2.889 1.00 52.23 C ATOM 49 O ASN A 5 -2.190 -9.531 -2.312 1.00 20.11 O ATOM 50 CB ASN A 5 0.085 -10.947 -0.969 1.00 25.21 C ATOM 51 CG ASN A 5 -1.022 -10.544 -0.015 1.00 0.10 C ATOM 52 OD1 ASN A 5 -0.896 -9.565 0.722 1.00 23.34 O ATOM 53 ND2 ASN A 5 -2.114 -11.298 -0.024 1.00 33.54 N ATOM 0 H ASN A 5 0.295 -8.413 -0.883 1.00 53.21 H new ATOM 0 HA ASN A 5 0.885 -10.445 -2.900 1.00 2.41 H new ATOM 0 HB2 ASN A 5 -0.072 -11.977 -1.289 1.00 25.21 H new ATOM 0 HB3 ASN A 5 1.040 -10.918 -0.445 1.00 25.21 H new ATOM 0 HD21 ASN A 5 -2.892 -11.076 0.596 1.00 33.54 H new ATOM 0 HD22 ASN A 5 -2.175 -12.100 -0.651 1.00 33.54 H new ATOM 60 N ILE A 6 -1.251 -10.478 -4.126 1.00 42.00 N ATOM 61 CA ILE A 6 -2.490 -10.494 -4.893 1.00 63.04 C ATOM 62 C ILE A 6 -2.810 -11.898 -5.392 1.00 32.33 C ATOM 63 O ILE A 6 -2.013 -12.515 -6.099 1.00 72.42 O ATOM 64 CB ILE A 6 -2.418 -9.538 -6.098 1.00 45.23 C ATOM 65 CG1 ILE A 6 -2.723 -8.105 -5.660 1.00 42.52 C ATOM 66 CG2 ILE A 6 -3.386 -9.982 -7.185 1.00 53.12 C ATOM 67 CD1 ILE A 6 -1.697 -7.533 -4.706 1.00 2.12 C ATOM 0 H ILE A 6 -0.445 -10.864 -4.618 1.00 42.00 H new ATOM 0 HA ILE A 6 -3.281 -10.161 -4.221 1.00 63.04 H new ATOM 0 HB ILE A 6 -1.407 -9.566 -6.504 1.00 45.23 H new ATOM 0 HG12 ILE A 6 -2.781 -7.468 -6.543 1.00 42.52 H new ATOM 0 HG13 ILE A 6 -3.703 -8.080 -5.184 1.00 42.52 H new ATOM 0 HG21 ILE A 6 -3.324 -9.296 -8.030 1.00 53.12 H new ATOM 0 HG22 ILE A 6 -3.127 -10.988 -7.514 1.00 53.12 H new ATOM 0 HG23 ILE A 6 -4.402 -9.980 -6.790 1.00 53.12 H new ATOM 0 HD11 ILE A 6 -1.977 -6.514 -4.438 1.00 2.12 H new ATOM 0 HD12 ILE A 6 -1.655 -8.147 -3.806 1.00 2.12 H new ATOM 0 HD13 ILE A 6 -0.718 -7.525 -5.186 1.00 2.12 H new ATOM 79 N THR A 7 -3.984 -12.400 -5.018 1.00 24.23 N ATOM 80 CA THR A 7 -4.410 -13.733 -5.428 1.00 11.11 C ATOM 81 C THR A 7 -5.290 -13.670 -6.671 1.00 32.14 C ATOM 82 O THR A 7 -6.106 -12.762 -6.819 1.00 64.43 O ATOM 83 CB THR A 7 -5.182 -14.446 -4.301 1.00 24.21 C ATOM 84 OG1 THR A 7 -5.959 -13.497 -3.563 1.00 41.12 O ATOM 85 CG2 THR A 7 -4.225 -15.166 -3.363 1.00 34.12 C ATOM 0 H THR A 7 -4.656 -11.904 -4.432 1.00 24.23 H new ATOM 0 HA THR A 7 -3.507 -14.299 -5.654 1.00 11.11 H new ATOM 0 HB THR A 7 -5.845 -15.183 -4.754 1.00 24.21 H new ATOM 0 HG1 THR A 7 -6.448 -13.958 -2.850 1.00 41.12 H new ATOM 0 HG21 THR A 7 -4.792 -15.662 -2.575 1.00 34.12 H new ATOM 0 HG22 THR A 7 -3.656 -15.908 -3.923 1.00 34.12 H new ATOM 0 HG23 THR A 7 -3.540 -14.444 -2.918 1.00 34.12 H new ATOM 93 N ALA A 8 -5.118 -14.643 -7.560 1.00 32.40 N ATOM 94 CA ALA A 8 -5.900 -14.700 -8.790 1.00 5.23 C ATOM 95 C ALA A 8 -6.121 -16.142 -9.234 1.00 14.33 C ATOM 96 O ALA A 8 -5.498 -17.065 -8.710 1.00 5.55 O ATOM 97 CB ALA A 8 -5.209 -13.908 -9.891 1.00 51.43 C ATOM 0 H ALA A 8 -4.445 -15.402 -7.452 1.00 32.40 H new ATOM 0 HA ALA A 8 -6.875 -14.254 -8.592 1.00 5.23 H new ATOM 0 HB1 ALA A 8 -5.803 -13.959 -10.803 1.00 51.43 H new ATOM 0 HB2 ALA A 8 -5.107 -12.868 -9.582 1.00 51.43 H new ATOM 0 HB3 ALA A 8 -4.221 -14.330 -10.077 1.00 51.43 H new ATOM 103 N ARG A 9 -7.014 -16.329 -10.199 1.00 61.23 N ATOM 104 CA ARG A 9 -7.320 -17.659 -10.710 1.00 64.42 C ATOM 105 C ARG A 9 -6.955 -17.771 -12.188 1.00 3.50 C ATOM 106 O ARG A 9 -7.030 -16.793 -12.932 1.00 50.22 O ATOM 107 CB ARG A 9 -8.804 -17.975 -10.517 1.00 33.44 C ATOM 108 CG ARG A 9 -9.090 -18.827 -9.291 1.00 34.44 C ATOM 109 CD ARG A 9 -9.562 -17.979 -8.120 1.00 64.00 C ATOM 110 NE ARG A 9 -10.358 -18.751 -7.170 1.00 40.32 N ATOM 111 CZ ARG A 9 -11.635 -19.061 -7.364 1.00 41.24 C ATOM 112 NH1 ARG A 9 -12.257 -18.668 -8.467 1.00 45.44 N ATOM 113 NH2 ARG A 9 -12.294 -19.767 -6.453 1.00 3.24 N ATOM 0 H ARG A 9 -7.539 -15.576 -10.643 1.00 61.23 H new ATOM 0 HA ARG A 9 -6.726 -18.381 -10.150 1.00 64.42 H new ATOM 0 HB2 ARG A 9 -9.359 -17.040 -10.437 1.00 33.44 H new ATOM 0 HB3 ARG A 9 -9.175 -18.491 -11.402 1.00 33.44 H new ATOM 0 HG2 ARG A 9 -9.850 -19.570 -9.533 1.00 34.44 H new ATOM 0 HG3 ARG A 9 -8.190 -19.372 -9.007 1.00 34.44 H new ATOM 0 HD2 ARG A 9 -8.698 -17.555 -7.608 1.00 64.00 H new ATOM 0 HD3 ARG A 9 -10.154 -17.143 -8.493 1.00 64.00 H new ATOM 0 HE ARG A 9 -9.909 -19.069 -6.311 1.00 40.32 H new ATOM 0 HH11 ARG A 9 -11.755 -18.126 -9.170 1.00 45.44 H new ATOM 0 HH12 ARG A 9 -13.238 -18.908 -8.613 1.00 45.44 H new ATOM 0 HH21 ARG A 9 -11.820 -20.072 -5.603 1.00 3.24 H new ATOM 0 HH22 ARG A 9 -13.275 -20.004 -6.603 1.00 3.24 H new ATOM 127 N ILE A 10 -6.558 -18.968 -12.605 1.00 60.12 N ATOM 128 CA ILE A 10 -6.180 -19.207 -13.993 1.00 73.31 C ATOM 129 C ILE A 10 -7.317 -18.840 -14.942 1.00 31.12 C ATOM 130 O ILE A 10 -8.420 -19.373 -14.841 1.00 73.20 O ATOM 131 CB ILE A 10 -5.788 -20.679 -14.224 1.00 74.11 C ATOM 132 CG1 ILE A 10 -4.533 -21.027 -13.424 1.00 2.44 C ATOM 133 CG2 ILE A 10 -5.568 -20.941 -15.706 1.00 63.13 C ATOM 134 CD1 ILE A 10 -4.407 -22.500 -13.104 1.00 64.25 C ATOM 0 H ILE A 10 -6.490 -19.788 -12.002 1.00 60.12 H new ATOM 0 HA ILE A 10 -5.318 -18.573 -14.200 1.00 73.31 H new ATOM 0 HB ILE A 10 -6.603 -21.315 -13.879 1.00 74.11 H new ATOM 0 HG12 ILE A 10 -3.655 -20.710 -13.986 1.00 2.44 H new ATOM 0 HG13 ILE A 10 -4.537 -20.461 -12.493 1.00 2.44 H new ATOM 0 HG21 ILE A 10 -5.292 -21.985 -15.854 1.00 63.13 H new ATOM 0 HG22 ILE A 10 -6.486 -20.728 -16.253 1.00 63.13 H new ATOM 0 HG23 ILE A 10 -4.768 -20.298 -16.074 1.00 63.13 H new ATOM 0 HD11 ILE A 10 -3.493 -22.672 -12.535 1.00 64.25 H new ATOM 0 HD12 ILE A 10 -5.267 -22.819 -12.515 1.00 64.25 H new ATOM 0 HD13 ILE A 10 -4.370 -23.072 -14.031 1.00 64.25 H new ATOM 146 N GLY A 11 -7.036 -17.926 -15.865 1.00 55.25 N ATOM 147 CA GLY A 11 -8.044 -17.503 -16.820 1.00 62.54 C ATOM 148 C GLY A 11 -8.927 -16.396 -16.281 1.00 22.50 C ATOM 149 O GLY A 11 -9.878 -15.976 -16.940 1.00 11.12 O ATOM 0 H GLY A 11 -6.129 -17.471 -15.969 1.00 55.25 H new ATOM 0 HA2 GLY A 11 -7.555 -17.161 -17.732 1.00 62.54 H new ATOM 0 HA3 GLY A 11 -8.664 -18.358 -17.092 1.00 62.54 H new ATOM 153 N GLU A 12 -8.614 -15.925 -15.078 1.00 43.13 N ATOM 154 CA GLU A 12 -9.389 -14.861 -14.450 1.00 35.15 C ATOM 155 C GLU A 12 -8.677 -13.518 -14.581 1.00 62.31 C ATOM 156 O GLU A 12 -7.452 -13.426 -14.502 1.00 42.11 O ATOM 157 CB GLU A 12 -9.631 -15.181 -12.973 1.00 51.43 C ATOM 158 CG GLU A 12 -10.461 -16.432 -12.748 1.00 20.55 C ATOM 159 CD GLU A 12 -11.640 -16.529 -13.698 1.00 13.15 C ATOM 160 OE1 GLU A 12 -12.476 -15.601 -13.702 1.00 45.31 O ATOM 161 OE2 GLU A 12 -11.727 -17.533 -14.435 1.00 25.05 O ATOM 0 H GLU A 12 -7.830 -16.263 -14.519 1.00 43.13 H new ATOM 0 HA GLU A 12 -10.349 -14.794 -14.963 1.00 35.15 H new ATOM 0 HB2 GLU A 12 -8.669 -15.299 -12.474 1.00 51.43 H new ATOM 0 HB3 GLU A 12 -10.132 -14.334 -12.504 1.00 51.43 H new ATOM 0 HG2 GLU A 12 -9.828 -17.311 -12.870 1.00 20.55 H new ATOM 0 HG3 GLU A 12 -10.825 -16.442 -11.721 1.00 20.55 H new ATOM 168 N PRO A 13 -9.462 -12.451 -14.790 1.00 14.12 N ATOM 169 CA PRO A 13 -8.930 -11.093 -14.937 1.00 51.01 C ATOM 170 C PRO A 13 -8.365 -10.546 -13.630 1.00 32.34 C ATOM 171 O PRO A 13 -8.895 -10.817 -12.551 1.00 31.23 O ATOM 172 CB PRO A 13 -10.150 -10.279 -15.374 1.00 62.11 C ATOM 173 CG PRO A 13 -11.320 -11.035 -14.845 1.00 4.54 C ATOM 174 CD PRO A 13 -10.931 -12.486 -14.895 1.00 22.14 C ATOM 0 HA PRO A 13 -8.100 -11.055 -15.643 1.00 51.01 H new ATOM 0 HB2 PRO A 13 -10.117 -9.268 -14.969 1.00 62.11 H new ATOM 0 HB3 PRO A 13 -10.196 -10.187 -16.459 1.00 62.11 H new ATOM 0 HG2 PRO A 13 -11.554 -10.729 -13.826 1.00 4.54 H new ATOM 0 HG3 PRO A 13 -12.210 -10.848 -15.446 1.00 4.54 H new ATOM 0 HD2 PRO A 13 -11.379 -13.050 -14.077 1.00 22.14 H new ATOM 0 HD3 PRO A 13 -11.256 -12.957 -15.823 1.00 22.14 H new ATOM 182 N LEU A 14 -7.288 -9.775 -13.732 1.00 72.52 N ATOM 183 CA LEU A 14 -6.652 -9.190 -12.558 1.00 52.15 C ATOM 184 C LEU A 14 -6.118 -7.794 -12.866 1.00 71.24 C ATOM 185 O LEU A 14 -5.626 -7.536 -13.964 1.00 44.31 O ATOM 186 CB LEU A 14 -5.514 -10.087 -12.070 1.00 4.24 C ATOM 187 CG LEU A 14 -4.652 -9.522 -10.940 1.00 5.04 C ATOM 188 CD1 LEU A 14 -5.470 -9.372 -9.668 1.00 14.52 C ATOM 189 CD2 LEU A 14 -3.442 -10.413 -10.696 1.00 15.12 C ATOM 0 H LEU A 14 -6.837 -9.541 -14.616 1.00 72.52 H new ATOM 0 HA LEU A 14 -7.403 -9.106 -11.773 1.00 52.15 H new ATOM 0 HB2 LEU A 14 -5.941 -11.033 -11.736 1.00 4.24 H new ATOM 0 HB3 LEU A 14 -4.866 -10.311 -12.917 1.00 4.24 H new ATOM 0 HG LEU A 14 -4.298 -8.535 -11.238 1.00 5.04 H new ATOM 0 HD11 LEU A 14 -4.840 -8.969 -8.875 1.00 14.52 H new ATOM 0 HD12 LEU A 14 -6.304 -8.693 -9.849 1.00 14.52 H new ATOM 0 HD13 LEU A 14 -5.854 -10.346 -9.366 1.00 14.52 H new ATOM 0 HD21 LEU A 14 -2.840 -9.996 -9.889 1.00 15.12 H new ATOM 0 HD22 LEU A 14 -3.776 -11.413 -10.420 1.00 15.12 H new ATOM 0 HD23 LEU A 14 -2.842 -10.469 -11.604 1.00 15.12 H new ATOM 201 N VAL A 15 -6.219 -6.899 -11.889 1.00 62.01 N ATOM 202 CA VAL A 15 -5.744 -5.531 -12.055 1.00 51.44 C ATOM 203 C VAL A 15 -4.681 -5.188 -11.017 1.00 34.44 C ATOM 204 O VAL A 15 -4.715 -5.685 -9.890 1.00 31.41 O ATOM 205 CB VAL A 15 -6.899 -4.518 -11.943 1.00 53.34 C ATOM 206 CG1 VAL A 15 -6.429 -3.125 -12.336 1.00 34.23 C ATOM 207 CG2 VAL A 15 -8.075 -4.954 -12.804 1.00 35.04 C ATOM 0 H VAL A 15 -6.625 -7.097 -10.975 1.00 62.01 H new ATOM 0 HA VAL A 15 -5.309 -5.467 -13.052 1.00 51.44 H new ATOM 0 HB VAL A 15 -7.230 -4.485 -10.905 1.00 53.34 H new ATOM 0 HG11 VAL A 15 -7.259 -2.423 -12.251 1.00 34.23 H new ATOM 0 HG12 VAL A 15 -5.621 -2.814 -11.674 1.00 34.23 H new ATOM 0 HG13 VAL A 15 -6.070 -3.139 -13.365 1.00 34.23 H new ATOM 0 HG21 VAL A 15 -8.882 -4.227 -12.713 1.00 35.04 H new ATOM 0 HG22 VAL A 15 -7.760 -5.017 -13.845 1.00 35.04 H new ATOM 0 HG23 VAL A 15 -8.427 -5.930 -12.471 1.00 35.04 H new ATOM 217 N LEU A 16 -3.739 -4.336 -11.403 1.00 1.54 N ATOM 218 CA LEU A 16 -2.663 -3.926 -10.505 1.00 53.12 C ATOM 219 C LEU A 16 -2.501 -2.409 -10.507 1.00 71.12 C ATOM 220 O LEU A 16 -2.756 -1.748 -11.515 1.00 42.40 O ATOM 221 CB LEU A 16 -1.348 -4.591 -10.914 1.00 71.42 C ATOM 222 CG LEU A 16 -1.274 -6.106 -10.718 1.00 64.45 C ATOM 223 CD1 LEU A 16 -0.289 -6.723 -11.701 1.00 73.23 C ATOM 224 CD2 LEU A 16 -0.882 -6.441 -9.287 1.00 61.15 C ATOM 0 H LEU A 16 -3.697 -3.915 -12.331 1.00 1.54 H new ATOM 0 HA LEU A 16 -2.925 -4.244 -9.496 1.00 53.12 H new ATOM 0 HB2 LEU A 16 -1.164 -4.371 -11.966 1.00 71.42 H new ATOM 0 HB3 LEU A 16 -0.539 -4.131 -10.346 1.00 71.42 H new ATOM 0 HG LEU A 16 -2.261 -6.527 -10.910 1.00 64.45 H new ATOM 0 HD11 LEU A 16 -0.249 -7.801 -11.547 1.00 73.23 H new ATOM 0 HD12 LEU A 16 -0.613 -6.513 -12.720 1.00 73.23 H new ATOM 0 HD13 LEU A 16 0.701 -6.297 -11.540 1.00 73.23 H new ATOM 0 HD21 LEU A 16 -0.834 -7.523 -9.167 1.00 61.15 H new ATOM 0 HD22 LEU A 16 0.094 -6.008 -9.066 1.00 61.15 H new ATOM 0 HD23 LEU A 16 -1.624 -6.032 -8.601 1.00 61.15 H new ATOM 236 N LYS A 17 -2.074 -1.863 -9.374 1.00 72.43 N ATOM 237 CA LYS A 17 -1.874 -0.425 -9.245 1.00 12.22 C ATOM 238 C LYS A 17 -0.388 -0.083 -9.215 1.00 24.30 C ATOM 239 O LYS A 17 0.437 -0.889 -8.783 1.00 21.44 O ATOM 240 CB LYS A 17 -2.553 0.093 -7.974 1.00 44.31 C ATOM 241 CG LYS A 17 -2.853 1.582 -8.010 1.00 11.44 C ATOM 242 CD LYS A 17 -4.123 1.912 -7.245 1.00 71.01 C ATOM 243 CE LYS A 17 -5.357 1.759 -8.121 1.00 53.24 C ATOM 244 NZ LYS A 17 -6.591 2.224 -7.427 1.00 21.15 N ATOM 0 H LYS A 17 -1.860 -2.395 -8.531 1.00 72.43 H new ATOM 0 HA LYS A 17 -2.323 0.058 -10.113 1.00 12.22 H new ATOM 0 HB2 LYS A 17 -3.484 -0.453 -7.821 1.00 44.31 H new ATOM 0 HB3 LYS A 17 -1.913 -0.120 -7.117 1.00 44.31 H new ATOM 0 HG2 LYS A 17 -2.016 2.133 -7.582 1.00 11.44 H new ATOM 0 HG3 LYS A 17 -2.955 1.909 -9.045 1.00 11.44 H new ATOM 0 HD2 LYS A 17 -4.207 1.257 -6.378 1.00 71.01 H new ATOM 0 HD3 LYS A 17 -4.067 2.933 -6.868 1.00 71.01 H new ATOM 0 HE2 LYS A 17 -5.222 2.327 -9.041 1.00 53.24 H new ATOM 0 HE3 LYS A 17 -5.473 0.713 -8.406 1.00 53.24 H new ATOM 0 HZ1 LYS A 17 -7.410 2.103 -8.057 1.00 21.15 H new ATOM 0 HZ2 LYS A 17 -6.734 1.665 -6.562 1.00 21.15 H new ATOM 0 HZ3 LYS A 17 -6.491 3.229 -7.177 1.00 21.15 H new ATOM 258 N CYS A 18 -0.052 1.117 -9.676 1.00 32.31 N ATOM 259 CA CYS A 18 1.335 1.566 -9.702 1.00 74.05 C ATOM 260 C CYS A 18 1.582 2.630 -8.635 1.00 0.14 C ATOM 261 O CYS A 18 1.253 3.801 -8.822 1.00 64.10 O ATOM 262 CB CYS A 18 1.687 2.123 -11.083 1.00 70.22 C ATOM 263 SG CYS A 18 3.471 2.375 -11.349 1.00 25.42 S ATOM 0 H CYS A 18 -0.722 1.796 -10.037 1.00 32.31 H new ATOM 0 HA CYS A 18 1.973 0.708 -9.490 1.00 74.05 H new ATOM 0 HB2 CYS A 18 1.309 1.441 -11.845 1.00 70.22 H new ATOM 0 HB3 CYS A 18 1.172 3.073 -11.222 1.00 70.22 H new ATOM 268 N LYS A 19 2.163 2.213 -7.515 1.00 24.45 N ATOM 269 CA LYS A 19 2.457 3.126 -6.418 1.00 73.24 C ATOM 270 C LYS A 19 3.393 4.241 -6.874 1.00 64.02 C ATOM 271 O LYS A 19 4.508 3.982 -7.325 1.00 43.41 O ATOM 272 CB LYS A 19 3.084 2.366 -5.248 1.00 11.21 C ATOM 273 CG LYS A 19 2.233 1.212 -4.746 1.00 41.23 C ATOM 274 CD LYS A 19 0.788 1.635 -4.537 1.00 62.01 C ATOM 275 CE LYS A 19 0.681 2.782 -3.544 1.00 72.50 C ATOM 276 NZ LYS A 19 -0.734 3.190 -3.320 1.00 13.30 N ATOM 0 H LYS A 19 2.440 1.246 -7.344 1.00 24.45 H new ATOM 0 HA LYS A 19 1.519 3.574 -6.091 1.00 73.24 H new ATOM 0 HB2 LYS A 19 4.057 1.982 -5.555 1.00 11.21 H new ATOM 0 HB3 LYS A 19 3.260 3.061 -4.427 1.00 11.21 H new ATOM 0 HG2 LYS A 19 2.273 0.391 -5.462 1.00 41.23 H new ATOM 0 HG3 LYS A 19 2.643 0.837 -3.808 1.00 41.23 H new ATOM 0 HD2 LYS A 19 0.354 1.936 -5.491 1.00 62.01 H new ATOM 0 HD3 LYS A 19 0.208 0.785 -4.177 1.00 62.01 H new ATOM 0 HE2 LYS A 19 1.128 2.484 -2.595 1.00 72.50 H new ATOM 0 HE3 LYS A 19 1.251 3.635 -3.911 1.00 72.50 H new ATOM 0 HZ1 LYS A 19 -0.765 3.974 -2.637 1.00 13.30 H new ATOM 0 HZ2 LYS A 19 -1.153 3.498 -4.221 1.00 13.30 H new ATOM 0 HZ3 LYS A 19 -1.273 2.383 -2.945 1.00 13.30 H new ATOM 290 N GLY A 20 2.932 5.482 -6.753 1.00 61.11 N ATOM 291 CA GLY A 20 3.743 6.617 -7.156 1.00 74.13 C ATOM 292 C GLY A 20 3.034 7.510 -8.155 1.00 35.32 C ATOM 293 O GLY A 20 3.130 8.735 -8.081 1.00 34.55 O ATOM 0 H GLY A 20 2.012 5.722 -6.383 1.00 61.11 H new ATOM 0 HA2 GLY A 20 4.008 7.201 -6.275 1.00 74.13 H new ATOM 0 HA3 GLY A 20 4.675 6.257 -7.592 1.00 74.13 H new ATOM 434 N LEU A 29 6.636 6.749 -18.060 1.00 54.41 N ATOM 435 CA LEU A 29 6.812 5.694 -17.069 1.00 31.11 C ATOM 436 C LEU A 29 7.070 4.351 -17.744 1.00 1.22 C ATOM 437 O LEU A 29 6.668 4.133 -18.887 1.00 1.04 O ATOM 438 CB LEU A 29 5.578 5.598 -16.171 1.00 32.44 C ATOM 439 CG LEU A 29 4.233 5.861 -16.850 1.00 14.14 C ATOM 440 CD1 LEU A 29 4.021 4.897 -18.007 1.00 71.02 C ATOM 441 CD2 LEU A 29 3.097 5.746 -15.843 1.00 73.33 C ATOM 0 HA LEU A 29 7.679 5.945 -16.458 1.00 31.11 H new ATOM 0 HB2 LEU A 29 5.551 4.602 -15.729 1.00 32.44 H new ATOM 0 HB3 LEU A 29 5.694 6.307 -15.351 1.00 32.44 H new ATOM 0 HG LEU A 29 4.240 6.876 -17.247 1.00 14.14 H new ATOM 0 HD11 LEU A 29 3.059 5.099 -18.478 1.00 71.02 H new ATOM 0 HD12 LEU A 29 4.818 5.027 -18.739 1.00 71.02 H new ATOM 0 HD13 LEU A 29 4.034 3.873 -17.634 1.00 71.02 H new ATOM 0 HD21 LEU A 29 2.147 5.936 -16.343 1.00 73.33 H new ATOM 0 HD22 LEU A 29 3.089 4.743 -15.417 1.00 73.33 H new ATOM 0 HD23 LEU A 29 3.241 6.477 -15.047 1.00 73.33 H new ATOM 453 N GLU A 30 7.742 3.453 -17.029 1.00 14.11 N ATOM 454 CA GLU A 30 8.051 2.130 -17.560 1.00 53.45 C ATOM 455 C GLU A 30 7.444 1.038 -16.685 1.00 74.24 C ATOM 456 O GLU A 30 7.317 1.198 -15.471 1.00 41.52 O ATOM 457 CB GLU A 30 9.566 1.938 -17.658 1.00 33.11 C ATOM 458 CG GLU A 30 9.981 0.899 -18.685 1.00 25.14 C ATOM 459 CD GLU A 30 11.365 1.158 -19.251 1.00 51.43 C ATOM 460 OE1 GLU A 30 11.516 2.122 -20.032 1.00 72.43 O ATOM 461 OE2 GLU A 30 12.296 0.399 -18.912 1.00 33.41 O ATOM 0 H GLU A 30 8.082 3.618 -16.082 1.00 14.11 H new ATOM 0 HA GLU A 30 7.617 2.055 -18.557 1.00 53.45 H new ATOM 0 HB2 GLU A 30 10.029 2.892 -17.910 1.00 33.11 H new ATOM 0 HB3 GLU A 30 9.951 1.645 -16.681 1.00 33.11 H new ATOM 0 HG2 GLU A 30 9.960 -0.089 -18.226 1.00 25.14 H new ATOM 0 HG3 GLU A 30 9.256 0.888 -19.499 1.00 25.14 H new ATOM 468 N TRP A 31 7.070 -0.072 -17.311 1.00 10.12 N ATOM 469 CA TRP A 31 6.475 -1.192 -16.590 1.00 64.21 C ATOM 470 C TRP A 31 7.253 -2.479 -16.847 1.00 74.01 C ATOM 471 O TRP A 31 7.739 -2.713 -17.954 1.00 73.24 O ATOM 472 CB TRP A 31 5.014 -1.373 -17.004 1.00 34.52 C ATOM 473 CG TRP A 31 4.151 -0.197 -16.665 1.00 54.02 C ATOM 474 CD1 TRP A 31 4.325 1.094 -17.077 1.00 31.43 C ATOM 475 CD2 TRP A 31 2.979 -0.202 -15.841 1.00 11.21 C ATOM 476 NE1 TRP A 31 3.331 1.891 -16.559 1.00 2.14 N ATOM 477 CE2 TRP A 31 2.494 1.119 -15.797 1.00 64.05 C ATOM 478 CE3 TRP A 31 2.293 -1.195 -15.137 1.00 53.54 C ATOM 479 CZ2 TRP A 31 1.355 1.471 -15.078 1.00 65.05 C ATOM 480 CZ3 TRP A 31 1.162 -0.844 -14.423 1.00 22.32 C ATOM 481 CH2 TRP A 31 0.702 0.479 -14.399 1.00 13.22 C ATOM 0 H TRP A 31 7.168 -0.221 -18.315 1.00 10.12 H new ATOM 0 HA TRP A 31 6.518 -0.970 -15.524 1.00 64.21 H new ATOM 0 HB2 TRP A 31 4.968 -1.551 -18.078 1.00 34.52 H new ATOM 0 HB3 TRP A 31 4.613 -2.261 -16.516 1.00 34.52 H new ATOM 0 HD1 TRP A 31 5.125 1.438 -17.715 1.00 31.43 H new ATOM 0 HE1 TRP A 31 3.233 2.894 -16.717 1.00 2.14 H new ATOM 0 HE3 TRP A 31 2.640 -2.218 -15.150 1.00 53.54 H new ATOM 0 HZ2 TRP A 31 1.000 2.491 -15.057 1.00 65.05 H new ATOM 0 HZ3 TRP A 31 0.624 -1.603 -13.874 1.00 22.32 H new ATOM 0 HH2 TRP A 31 -0.186 0.721 -13.833 1.00 13.22 H new ATOM 492 N LYS A 32 7.366 -3.312 -15.818 1.00 2.30 N ATOM 493 CA LYS A 32 8.083 -4.577 -15.932 1.00 52.44 C ATOM 494 C LYS A 32 7.381 -5.673 -15.138 1.00 73.43 C ATOM 495 O LYS A 32 6.828 -5.422 -14.066 1.00 64.22 O ATOM 496 CB LYS A 32 9.522 -4.416 -15.437 1.00 30.44 C ATOM 497 CG LYS A 32 10.566 -4.652 -16.516 1.00 41.44 C ATOM 498 CD LYS A 32 11.138 -3.342 -17.032 1.00 22.04 C ATOM 499 CE LYS A 32 12.068 -2.701 -16.014 1.00 45.21 C ATOM 500 NZ LYS A 32 13.389 -2.356 -16.608 1.00 63.15 N ATOM 0 H LYS A 32 6.970 -3.134 -14.895 1.00 2.30 H new ATOM 0 HA LYS A 32 8.096 -4.866 -16.983 1.00 52.44 H new ATOM 0 HB2 LYS A 32 9.649 -3.411 -15.034 1.00 30.44 H new ATOM 0 HB3 LYS A 32 9.695 -5.113 -14.617 1.00 30.44 H new ATOM 0 HG2 LYS A 32 11.371 -5.270 -16.117 1.00 41.44 H new ATOM 0 HG3 LYS A 32 10.119 -5.206 -17.342 1.00 41.44 H new ATOM 0 HD2 LYS A 32 11.681 -3.521 -17.960 1.00 22.04 H new ATOM 0 HD3 LYS A 32 10.324 -2.656 -17.266 1.00 22.04 H new ATOM 0 HE2 LYS A 32 11.603 -1.800 -15.615 1.00 45.21 H new ATOM 0 HE3 LYS A 32 12.214 -3.383 -15.176 1.00 45.21 H new ATOM 0 HZ1 LYS A 32 13.993 -1.921 -15.882 1.00 63.15 H new ATOM 0 HZ2 LYS A 32 13.845 -3.219 -16.966 1.00 63.15 H new ATOM 0 HZ3 LYS A 32 13.253 -1.686 -17.391 1.00 63.15 H new ATOM 514 N LEU A 33 7.406 -6.890 -15.670 1.00 34.31 N ATOM 515 CA LEU A 33 6.772 -8.027 -15.010 1.00 65.12 C ATOM 516 C LEU A 33 7.668 -9.260 -15.072 1.00 23.51 C ATOM 517 O LEU A 33 8.227 -9.581 -16.119 1.00 25.31 O ATOM 518 CB LEU A 33 5.421 -8.330 -15.659 1.00 12.12 C ATOM 519 CG LEU A 33 4.270 -8.639 -14.701 1.00 11.34 C ATOM 520 CD1 LEU A 33 2.994 -8.927 -15.474 1.00 30.54 C ATOM 521 CD2 LEU A 33 4.627 -9.812 -13.798 1.00 64.53 C ATOM 0 H LEU A 33 7.858 -7.115 -16.556 1.00 34.31 H new ATOM 0 HA LEU A 33 6.614 -7.767 -13.963 1.00 65.12 H new ATOM 0 HB2 LEU A 33 5.136 -7.476 -16.274 1.00 12.12 H new ATOM 0 HB3 LEU A 33 5.546 -9.179 -16.331 1.00 12.12 H new ATOM 0 HG LEU A 33 4.100 -7.763 -14.074 1.00 11.34 H new ATOM 0 HD11 LEU A 33 2.186 -9.145 -14.775 1.00 30.54 H new ATOM 0 HD12 LEU A 33 2.729 -8.058 -16.075 1.00 30.54 H new ATOM 0 HD13 LEU A 33 3.150 -9.786 -16.127 1.00 30.54 H new ATOM 0 HD21 LEU A 33 3.796 -10.018 -13.123 1.00 64.53 H new ATOM 0 HD22 LEU A 33 4.826 -10.693 -14.408 1.00 64.53 H new ATOM 0 HD23 LEU A 33 5.515 -9.566 -13.216 1.00 64.53 H new ATOM 533 N ASN A 34 7.796 -9.949 -13.943 1.00 0.55 N ATOM 534 CA ASN A 34 8.622 -11.149 -13.869 1.00 34.31 C ATOM 535 C ASN A 34 7.772 -12.375 -13.549 1.00 24.51 C ATOM 536 O ASN A 34 7.100 -12.428 -12.519 1.00 23.24 O ATOM 537 CB ASN A 34 9.711 -10.979 -12.808 1.00 24.14 C ATOM 538 CG ASN A 34 10.480 -12.262 -12.557 1.00 73.54 C ATOM 539 OD1 ASN A 34 10.047 -13.117 -11.785 1.00 1.33 O ATOM 540 ND2 ASN A 34 11.626 -12.402 -13.212 1.00 22.42 N ATOM 0 H ASN A 34 7.339 -9.697 -13.067 1.00 0.55 H new ATOM 0 HA ASN A 34 9.091 -11.298 -14.841 1.00 34.31 H new ATOM 0 HB2 ASN A 34 10.404 -10.199 -13.124 1.00 24.14 H new ATOM 0 HB3 ASN A 34 9.257 -10.643 -11.876 1.00 24.14 H new ATOM 0 HD21 ASN A 34 12.186 -13.245 -13.085 1.00 22.42 H new ATOM 0 HD22 ASN A 34 11.946 -11.667 -13.842 1.00 22.42 H new ATOM 547 N THR A 35 7.808 -13.361 -14.441 1.00 72.21 N ATOM 548 CA THR A 35 7.041 -14.586 -14.256 1.00 22.12 C ATOM 549 C THR A 35 7.851 -15.809 -14.672 1.00 32.42 C ATOM 550 O THR A 35 8.993 -15.690 -15.111 1.00 50.13 O ATOM 551 CB THR A 35 5.728 -14.555 -15.061 1.00 22.22 C ATOM 552 OG1 THR A 35 6.000 -14.781 -16.449 1.00 64.15 O ATOM 553 CG2 THR A 35 5.018 -13.222 -14.888 1.00 13.53 C ATOM 0 H THR A 35 8.360 -13.334 -15.298 1.00 72.21 H new ATOM 0 HA THR A 35 6.805 -14.654 -13.194 1.00 22.12 H new ATOM 0 HB THR A 35 5.078 -15.345 -14.685 1.00 22.22 H new ATOM 0 HG1 THR A 35 5.157 -14.921 -16.929 1.00 64.15 H new ATOM 0 HG21 THR A 35 4.094 -13.224 -15.466 1.00 13.53 H new ATOM 0 HG22 THR A 35 4.787 -13.067 -13.834 1.00 13.53 H new ATOM 0 HG23 THR A 35 5.664 -12.417 -15.240 1.00 13.53 H new ATOM 561 N GLY A 36 7.249 -16.987 -14.532 1.00 30.11 N ATOM 562 CA GLY A 36 7.930 -18.215 -14.898 1.00 31.55 C ATOM 563 C GLY A 36 8.993 -18.612 -13.893 1.00 75.12 C ATOM 564 O GLY A 36 8.751 -18.597 -12.685 1.00 2.11 O ATOM 0 H GLY A 36 6.303 -17.112 -14.172 1.00 30.11 H new ATOM 0 HA2 GLY A 36 7.200 -19.019 -14.986 1.00 31.55 H new ATOM 0 HA3 GLY A 36 8.390 -18.093 -15.879 1.00 31.55 H new ATOM 568 N ARG A 37 10.172 -18.969 -14.390 1.00 32.32 N ATOM 569 CA ARG A 37 11.275 -19.375 -13.526 1.00 62.22 C ATOM 570 C ARG A 37 12.408 -18.354 -13.577 1.00 4.01 C ATOM 571 O ARG A 37 13.052 -18.075 -12.566 1.00 40.14 O ATOM 572 CB ARG A 37 11.795 -20.752 -13.941 1.00 1.44 C ATOM 573 CG ARG A 37 10.753 -21.853 -13.840 1.00 35.52 C ATOM 574 CD ARG A 37 10.400 -22.155 -12.391 1.00 22.31 C ATOM 575 NE ARG A 37 11.570 -22.559 -11.617 1.00 11.45 N ATOM 576 CZ ARG A 37 12.087 -23.783 -11.649 1.00 54.24 C ATOM 577 NH1 ARG A 37 11.539 -24.716 -12.415 1.00 23.43 N ATOM 578 NH2 ARG A 37 13.152 -24.074 -10.915 1.00 44.30 N ATOM 0 H ARG A 37 10.389 -18.986 -15.387 1.00 32.32 H new ATOM 0 HA ARG A 37 10.903 -19.429 -12.503 1.00 62.22 H new ATOM 0 HB2 ARG A 37 12.157 -20.700 -14.968 1.00 1.44 H new ATOM 0 HB3 ARG A 37 12.648 -21.013 -13.315 1.00 1.44 H new ATOM 0 HG2 ARG A 37 9.854 -21.556 -14.380 1.00 35.52 H new ATOM 0 HG3 ARG A 37 11.129 -22.757 -14.320 1.00 35.52 H new ATOM 0 HD2 ARG A 37 9.951 -21.272 -11.936 1.00 22.31 H new ATOM 0 HD3 ARG A 37 9.652 -22.947 -12.357 1.00 22.31 H new ATOM 0 HE ARG A 37 12.015 -21.863 -11.019 1.00 11.45 H new ATOM 0 HH11 ARG A 37 10.720 -24.495 -12.981 1.00 23.43 H new ATOM 0 HH12 ARG A 37 11.937 -25.655 -12.439 1.00 23.43 H new ATOM 0 HH21 ARG A 37 13.576 -23.358 -10.325 1.00 44.30 H new ATOM 0 HH22 ARG A 37 13.548 -25.014 -10.941 1.00 44.30 H new ATOM 592 N THR A 38 12.647 -17.801 -14.762 1.00 22.42 N ATOM 593 CA THR A 38 13.703 -16.813 -14.946 1.00 24.13 C ATOM 594 C THR A 38 13.756 -16.327 -16.389 1.00 41.24 C ATOM 595 O THR A 38 14.144 -15.190 -16.656 1.00 53.22 O ATOM 596 CB THR A 38 15.080 -17.385 -14.559 1.00 55.12 C ATOM 597 OG1 THR A 38 16.007 -16.318 -14.334 1.00 0.42 O ATOM 598 CG2 THR A 38 15.611 -18.303 -15.648 1.00 33.21 C ATOM 0 H THR A 38 12.123 -18.021 -15.609 1.00 22.42 H new ATOM 0 HA THR A 38 13.468 -15.974 -14.291 1.00 24.13 H new ATOM 0 HB THR A 38 14.963 -17.965 -13.643 1.00 55.12 H new ATOM 0 HG1 THR A 38 16.880 -16.689 -14.087 1.00 0.42 H new ATOM 0 HG21 THR A 38 16.584 -18.694 -15.352 1.00 33.21 H new ATOM 0 HG22 THR A 38 14.917 -19.130 -15.797 1.00 33.21 H new ATOM 0 HG23 THR A 38 15.713 -17.743 -16.578 1.00 33.21 H new ATOM 606 N GLU A 39 13.362 -17.194 -17.316 1.00 64.24 N ATOM 607 CA GLU A 39 13.366 -16.851 -18.734 1.00 21.11 C ATOM 608 C GLU A 39 11.956 -16.520 -19.217 1.00 0.42 C ATOM 609 O GLU A 39 11.599 -16.799 -20.361 1.00 13.10 O ATOM 610 CB GLU A 39 13.942 -18.002 -19.559 1.00 21.43 C ATOM 611 CG GLU A 39 15.420 -18.252 -19.308 1.00 60.01 C ATOM 612 CD GLU A 39 15.846 -19.659 -19.682 1.00 14.31 C ATOM 613 OE1 GLU A 39 15.179 -20.617 -19.239 1.00 23.11 O ATOM 614 OE2 GLU A 39 16.845 -19.801 -20.416 1.00 45.25 O ATOM 0 H GLU A 39 13.036 -18.139 -17.111 1.00 64.24 H new ATOM 0 HA GLU A 39 13.994 -15.970 -18.866 1.00 21.11 H new ATOM 0 HB2 GLU A 39 13.385 -18.912 -19.335 1.00 21.43 H new ATOM 0 HB3 GLU A 39 13.793 -17.789 -20.618 1.00 21.43 H new ATOM 0 HG2 GLU A 39 16.008 -17.534 -19.880 1.00 60.01 H new ATOM 0 HG3 GLU A 39 15.640 -18.078 -18.255 1.00 60.01 H new ATOM 621 N ALA A 40 11.160 -15.924 -18.335 1.00 43.52 N ATOM 622 CA ALA A 40 9.791 -15.553 -18.671 1.00 34.41 C ATOM 623 C ALA A 40 9.545 -14.069 -18.416 1.00 31.43 C ATOM 624 O ALA A 40 8.487 -13.540 -18.755 1.00 51.03 O ATOM 625 CB ALA A 40 8.806 -16.397 -17.875 1.00 63.54 C ATOM 0 H ALA A 40 11.440 -15.688 -17.383 1.00 43.52 H new ATOM 0 HA ALA A 40 9.640 -15.742 -19.734 1.00 34.41 H new ATOM 0 HB1 ALA A 40 7.787 -16.110 -18.135 1.00 63.54 H new ATOM 0 HB2 ALA A 40 8.957 -17.451 -18.110 1.00 63.54 H new ATOM 0 HB3 ALA A 40 8.967 -16.236 -16.809 1.00 63.54 H new ATOM 631 N TRP A 41 10.528 -13.407 -17.817 1.00 41.22 N ATOM 632 CA TRP A 41 10.417 -11.984 -17.516 1.00 44.43 C ATOM 633 C TRP A 41 10.221 -11.171 -18.792 1.00 72.30 C ATOM 634 O TRP A 41 10.976 -11.316 -19.754 1.00 41.34 O ATOM 635 CB TRP A 41 11.665 -11.500 -16.775 1.00 71.15 C ATOM 636 CG TRP A 41 11.768 -10.006 -16.698 1.00 31.31 C ATOM 637 CD1 TRP A 41 11.088 -9.181 -15.849 1.00 63.11 C ATOM 638 CD2 TRP A 41 12.597 -9.162 -17.504 1.00 11.32 C ATOM 639 NE1 TRP A 41 11.445 -7.874 -16.078 1.00 3.22 N ATOM 640 CE2 TRP A 41 12.371 -7.836 -17.087 1.00 12.13 C ATOM 641 CE3 TRP A 41 13.511 -9.398 -18.534 1.00 0.11 C ATOM 642 CZ2 TRP A 41 13.024 -6.751 -17.667 1.00 22.55 C ATOM 643 CZ3 TRP A 41 14.159 -8.320 -19.109 1.00 35.43 C ATOM 644 CH2 TRP A 41 13.914 -7.011 -18.673 1.00 64.51 C ATOM 0 H TRP A 41 11.410 -13.832 -17.530 1.00 41.22 H new ATOM 0 HA TRP A 41 9.545 -11.840 -16.878 1.00 44.43 H new ATOM 0 HB2 TRP A 41 11.661 -11.909 -15.765 1.00 71.15 H new ATOM 0 HB3 TRP A 41 12.551 -11.893 -17.274 1.00 71.15 H new ATOM 0 HD1 TRP A 41 10.375 -9.507 -15.107 1.00 63.11 H new ATOM 0 HE1 TRP A 41 11.080 -7.064 -15.578 1.00 3.22 H new ATOM 0 HE3 TRP A 41 13.708 -10.404 -18.875 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 12.835 -5.741 -17.335 1.00 22.55 H new ATOM 0 HZ3 TRP A 41 14.866 -8.490 -19.908 1.00 35.43 H new ATOM 0 HH2 TRP A 41 14.438 -6.191 -19.141 1.00 64.51 H new ATOM 655 N LYS A 42 9.203 -10.318 -18.794 1.00 5.22 N ATOM 656 CA LYS A 42 8.909 -9.480 -19.950 1.00 60.53 C ATOM 657 C LYS A 42 8.732 -8.023 -19.536 1.00 65.43 C ATOM 658 O LYS A 42 8.409 -7.729 -18.385 1.00 24.10 O ATOM 659 CB LYS A 42 7.645 -9.978 -20.657 1.00 53.14 C ATOM 660 CG LYS A 42 6.411 -9.973 -19.771 1.00 30.45 C ATOM 661 CD LYS A 42 6.149 -11.346 -19.174 1.00 2.53 C ATOM 662 CE LYS A 42 5.063 -11.292 -18.110 1.00 33.42 C ATOM 663 NZ LYS A 42 4.086 -12.406 -18.258 1.00 23.34 N ATOM 0 H LYS A 42 8.567 -10.189 -18.007 1.00 5.22 H new ATOM 0 HA LYS A 42 9.753 -9.543 -20.637 1.00 60.53 H new ATOM 0 HB2 LYS A 42 7.457 -9.354 -21.531 1.00 53.14 H new ATOM 0 HB3 LYS A 42 7.817 -10.991 -21.020 1.00 53.14 H new ATOM 0 HG2 LYS A 42 6.540 -9.245 -18.970 1.00 30.45 H new ATOM 0 HG3 LYS A 42 5.545 -9.657 -20.353 1.00 30.45 H new ATOM 0 HD2 LYS A 42 5.853 -12.037 -19.963 1.00 2.53 H new ATOM 0 HD3 LYS A 42 7.069 -11.736 -18.738 1.00 2.53 H new ATOM 0 HE2 LYS A 42 5.520 -11.339 -17.122 1.00 33.42 H new ATOM 0 HE3 LYS A 42 4.539 -10.338 -18.174 1.00 33.42 H new ATOM 0 HZ1 LYS A 42 3.362 -12.334 -17.515 1.00 23.34 H new ATOM 0 HZ2 LYS A 42 3.631 -12.347 -19.191 1.00 23.34 H new ATOM 0 HZ3 LYS A 42 4.582 -13.316 -18.172 1.00 23.34 H new ATOM 677 N VAL A 43 8.945 -7.114 -20.483 1.00 34.41 N ATOM 678 CA VAL A 43 8.806 -5.687 -20.217 1.00 24.14 C ATOM 679 C VAL A 43 7.407 -5.195 -20.568 1.00 62.51 C ATOM 680 O VAL A 43 6.948 -5.351 -21.701 1.00 53.41 O ATOM 681 CB VAL A 43 9.841 -4.866 -21.009 1.00 71.51 C ATOM 682 CG1 VAL A 43 9.841 -3.417 -20.546 1.00 32.44 C ATOM 683 CG2 VAL A 43 11.226 -5.480 -20.872 1.00 53.44 C ATOM 0 H VAL A 43 9.214 -7.341 -21.440 1.00 34.41 H new ATOM 0 HA VAL A 43 8.979 -5.546 -19.150 1.00 24.14 H new ATOM 0 HB VAL A 43 9.564 -4.884 -22.063 1.00 71.51 H new ATOM 0 HG11 VAL A 43 10.578 -2.853 -21.117 1.00 32.44 H new ATOM 0 HG12 VAL A 43 8.853 -2.985 -20.703 1.00 32.44 H new ATOM 0 HG13 VAL A 43 10.092 -3.374 -19.486 1.00 32.44 H new ATOM 0 HG21 VAL A 43 11.944 -4.887 -21.438 1.00 53.44 H new ATOM 0 HG22 VAL A 43 11.515 -5.495 -19.821 1.00 53.44 H new ATOM 0 HG23 VAL A 43 11.212 -6.499 -21.259 1.00 53.44 H new ATOM 693 N LEU A 44 6.731 -4.602 -19.590 1.00 44.55 N ATOM 694 CA LEU A 44 5.382 -4.085 -19.795 1.00 4.11 C ATOM 695 C LEU A 44 5.421 -2.644 -20.292 1.00 14.52 C ATOM 696 O LEU A 44 6.274 -1.858 -19.881 1.00 54.21 O ATOM 697 CB LEU A 44 4.581 -4.168 -18.495 1.00 32.33 C ATOM 698 CG LEU A 44 4.005 -5.541 -18.147 1.00 24.11 C ATOM 699 CD1 LEU A 44 3.337 -5.511 -16.782 1.00 43.23 C ATOM 700 CD2 LEU A 44 3.020 -5.992 -19.215 1.00 32.30 C ATOM 0 H LEU A 44 7.095 -4.467 -18.647 1.00 44.55 H new ATOM 0 HA LEU A 44 4.895 -4.698 -20.554 1.00 4.11 H new ATOM 0 HB2 LEU A 44 5.224 -3.848 -17.675 1.00 32.33 H new ATOM 0 HB3 LEU A 44 3.758 -3.455 -18.553 1.00 32.33 H new ATOM 0 HG LEU A 44 4.825 -6.258 -18.111 1.00 24.11 H new ATOM 0 HD11 LEU A 44 2.933 -6.497 -16.553 1.00 43.23 H new ATOM 0 HD12 LEU A 44 4.070 -5.234 -16.024 1.00 43.23 H new ATOM 0 HD13 LEU A 44 2.528 -4.781 -16.789 1.00 43.23 H new ATOM 0 HD21 LEU A 44 2.620 -6.971 -18.951 1.00 32.30 H new ATOM 0 HD22 LEU A 44 2.204 -5.273 -19.284 1.00 32.30 H new ATOM 0 HD23 LEU A 44 3.530 -6.056 -20.176 1.00 32.30 H new ATOM 712 N SER A 45 4.489 -2.303 -21.176 1.00 72.32 N ATOM 713 CA SER A 45 4.417 -0.956 -21.730 1.00 43.20 C ATOM 714 C SER A 45 3.008 -0.388 -21.595 1.00 75.30 C ATOM 715 O SER A 45 2.036 -1.113 -21.379 1.00 52.11 O ATOM 716 CB SER A 45 4.837 -0.964 -23.202 1.00 0.53 C ATOM 717 OG SER A 45 6.169 -0.504 -23.353 1.00 42.03 O ATOM 0 H SER A 45 3.773 -2.941 -21.524 1.00 72.32 H new ATOM 0 HA SER A 45 5.102 -0.321 -21.167 1.00 43.20 H new ATOM 0 HB2 SER A 45 4.750 -1.974 -23.603 1.00 0.53 H new ATOM 0 HB3 SER A 45 4.163 -0.332 -23.780 1.00 0.53 H new ATOM 0 HG SER A 45 6.415 -0.520 -24.301 1.00 42.03 H new ATOM 723 N PRO A 46 2.891 0.942 -21.725 1.00 41.53 N ATOM 724 CA PRO A 46 1.606 1.639 -21.622 1.00 13.44 C ATOM 725 C PRO A 46 0.691 1.345 -22.805 1.00 43.22 C ATOM 726 O PRO A 46 -0.455 1.792 -22.840 1.00 73.11 O ATOM 727 CB PRO A 46 2.003 3.116 -21.606 1.00 40.44 C ATOM 728 CG PRO A 46 3.316 3.163 -22.309 1.00 72.22 C ATOM 729 CD PRO A 46 4.007 1.868 -21.983 1.00 54.54 C ATOM 0 HA PRO A 46 1.042 1.327 -20.743 1.00 13.44 H new ATOM 0 HB2 PRO A 46 1.260 3.731 -22.114 1.00 40.44 H new ATOM 0 HB3 PRO A 46 2.086 3.493 -20.587 1.00 40.44 H new ATOM 0 HG2 PRO A 46 3.179 3.272 -23.385 1.00 72.22 H new ATOM 0 HG3 PRO A 46 3.907 4.016 -21.975 1.00 72.22 H new ATOM 0 HD2 PRO A 46 4.630 1.526 -22.809 1.00 54.54 H new ATOM 0 HD3 PRO A 46 4.657 1.967 -21.113 1.00 54.54 H new ATOM 737 N GLN A 47 1.205 0.591 -23.771 1.00 63.23 N ATOM 738 CA GLN A 47 0.432 0.239 -24.957 1.00 22.01 C ATOM 739 C GLN A 47 0.378 -1.274 -25.142 1.00 12.44 C ATOM 740 O GLN A 47 1.159 -1.845 -25.902 1.00 72.13 O ATOM 741 CB GLN A 47 1.038 0.895 -26.200 1.00 54.00 C ATOM 742 CG GLN A 47 0.096 0.923 -27.393 1.00 3.23 C ATOM 743 CD GLN A 47 -1.115 1.804 -27.160 1.00 3.11 C ATOM 744 OE1 GLN A 47 -1.038 3.028 -27.279 1.00 34.12 O ATOM 745 NE2 GLN A 47 -2.242 1.186 -26.828 1.00 43.24 N ATOM 0 H GLN A 47 2.152 0.212 -23.756 1.00 63.23 H new ATOM 0 HA GLN A 47 -0.585 0.607 -24.820 1.00 22.01 H new ATOM 0 HB2 GLN A 47 1.332 1.916 -25.955 1.00 54.00 H new ATOM 0 HB3 GLN A 47 1.946 0.360 -26.477 1.00 54.00 H new ATOM 0 HG2 GLN A 47 0.637 1.280 -28.270 1.00 3.23 H new ATOM 0 HG3 GLN A 47 -0.235 -0.092 -27.614 1.00 3.23 H new ATOM 0 HE21 GLN A 47 -2.260 0.170 -26.741 1.00 43.24 H new ATOM 0 HE22 GLN A 47 -3.090 1.727 -26.660 1.00 43.24 H new ATOM 852 N ALA A 56 -0.568 -8.579 -20.852 1.00 13.04 N ATOM 853 CA ALA A 56 -1.665 -7.744 -20.380 1.00 1.44 C ATOM 854 C ALA A 56 -1.575 -6.338 -20.964 1.00 60.33 C ATOM 855 O ALA A 56 -0.621 -6.008 -21.668 1.00 11.12 O ATOM 856 CB ALA A 56 -1.667 -7.687 -18.859 1.00 52.54 C ATOM 0 HA ALA A 56 -2.601 -8.190 -20.718 1.00 1.44 H new ATOM 0 HB1 ALA A 56 -2.491 -7.060 -18.519 1.00 52.54 H new ATOM 0 HB2 ALA A 56 -1.787 -8.693 -18.457 1.00 52.54 H new ATOM 0 HB3 ALA A 56 -0.724 -7.267 -18.509 1.00 52.54 H new ATOM 862 N ARG A 57 -2.576 -5.515 -20.669 1.00 61.20 N ATOM 863 CA ARG A 57 -2.612 -4.145 -21.167 1.00 25.23 C ATOM 864 C ARG A 57 -2.489 -3.147 -20.020 1.00 61.14 C ATOM 865 O ARG A 57 -2.715 -3.487 -18.859 1.00 72.01 O ATOM 866 CB ARG A 57 -3.907 -3.894 -21.940 1.00 64.40 C ATOM 867 CG ARG A 57 -4.494 -5.148 -22.567 1.00 35.30 C ATOM 868 CD ARG A 57 -5.522 -5.798 -21.653 1.00 52.22 C ATOM 869 NE ARG A 57 -6.674 -6.302 -22.396 1.00 54.35 N ATOM 870 CZ ARG A 57 -7.561 -5.516 -22.998 1.00 11.23 C ATOM 871 NH1 ARG A 57 -7.426 -4.199 -22.947 1.00 55.20 N ATOM 872 NH2 ARG A 57 -8.583 -6.049 -23.654 1.00 21.42 N ATOM 0 H ARG A 57 -3.373 -5.773 -20.087 1.00 61.20 H new ATOM 0 HA ARG A 57 -1.765 -4.007 -21.839 1.00 25.23 H new ATOM 0 HB2 ARG A 57 -4.643 -3.456 -21.266 1.00 64.40 H new ATOM 0 HB3 ARG A 57 -3.716 -3.161 -22.724 1.00 64.40 H new ATOM 0 HG2 ARG A 57 -4.960 -4.896 -23.520 1.00 35.30 H new ATOM 0 HG3 ARG A 57 -3.695 -5.858 -22.781 1.00 35.30 H new ATOM 0 HD2 ARG A 57 -5.055 -6.618 -21.108 1.00 52.22 H new ATOM 0 HD3 ARG A 57 -5.858 -5.073 -20.912 1.00 52.22 H new ATOM 0 HE ARG A 57 -6.805 -7.312 -22.456 1.00 54.35 H new ATOM 0 HH11 ARG A 57 -6.640 -3.786 -22.445 1.00 55.20 H new ATOM 0 HH12 ARG A 57 -8.108 -3.598 -23.410 1.00 55.20 H new ATOM 0 HH21 ARG A 57 -8.689 -7.063 -23.697 1.00 21.42 H new ATOM 0 HH22 ARG A 57 -9.263 -5.445 -24.116 1.00 21.42 H new ATOM 886 N VAL A 58 -2.130 -1.910 -20.354 1.00 22.34 N ATOM 887 CA VAL A 58 -1.979 -0.862 -19.353 1.00 2.44 C ATOM 888 C VAL A 58 -3.105 0.160 -19.452 1.00 62.13 C ATOM 889 O VAL A 58 -3.404 0.667 -20.534 1.00 70.44 O ATOM 890 CB VAL A 58 -0.628 -0.136 -19.500 1.00 33.34 C ATOM 891 CG1 VAL A 58 -0.671 1.217 -18.807 1.00 24.11 C ATOM 892 CG2 VAL A 58 0.501 -0.993 -18.945 1.00 75.41 C ATOM 0 H VAL A 58 -1.939 -1.611 -21.310 1.00 22.34 H new ATOM 0 HA VAL A 58 -2.018 -1.348 -18.378 1.00 2.44 H new ATOM 0 HB VAL A 58 -0.439 0.031 -20.560 1.00 33.34 H new ATOM 0 HG11 VAL A 58 0.292 1.715 -18.921 1.00 24.11 H new ATOM 0 HG12 VAL A 58 -1.453 1.831 -19.255 1.00 24.11 H new ATOM 0 HG13 VAL A 58 -0.883 1.076 -17.747 1.00 24.11 H new ATOM 0 HG21 VAL A 58 1.448 -0.465 -19.057 1.00 75.41 H new ATOM 0 HG22 VAL A 58 0.320 -1.194 -17.889 1.00 75.41 H new ATOM 0 HG23 VAL A 58 0.545 -1.935 -19.491 1.00 75.41 H new ATOM 902 N LEU A 59 -3.728 0.459 -18.318 1.00 14.33 N ATOM 903 CA LEU A 59 -4.823 1.422 -18.276 1.00 21.12 C ATOM 904 C LEU A 59 -4.317 2.834 -18.548 1.00 44.24 C ATOM 905 O LEU A 59 -3.138 3.142 -18.371 1.00 44.43 O ATOM 906 CB LEU A 59 -5.521 1.371 -16.916 1.00 15.13 C ATOM 907 CG LEU A 59 -6.457 0.184 -16.685 1.00 71.41 C ATOM 908 CD1 LEU A 59 -6.965 0.175 -15.252 1.00 41.45 C ATOM 909 CD2 LEU A 59 -7.621 0.225 -17.665 1.00 60.01 C ATOM 0 H LEU A 59 -3.494 0.048 -17.414 1.00 14.33 H new ATOM 0 HA LEU A 59 -5.538 1.156 -19.055 1.00 21.12 H new ATOM 0 HB2 LEU A 59 -4.757 1.362 -16.138 1.00 15.13 H new ATOM 0 HB3 LEU A 59 -6.094 2.290 -16.790 1.00 15.13 H new ATOM 0 HG LEU A 59 -5.896 -0.735 -16.855 1.00 71.41 H new ATOM 0 HD11 LEU A 59 -7.629 -0.677 -15.107 1.00 41.45 H new ATOM 0 HD12 LEU A 59 -6.121 0.097 -14.567 1.00 41.45 H new ATOM 0 HD13 LEU A 59 -7.510 1.098 -15.053 1.00 41.45 H new ATOM 0 HD21 LEU A 59 -8.277 -0.627 -17.486 1.00 60.01 H new ATOM 0 HD22 LEU A 59 -8.181 1.150 -17.526 1.00 60.01 H new ATOM 0 HD23 LEU A 59 -7.239 0.182 -18.685 1.00 60.01 H new ATOM 921 N PRO A 60 -5.228 3.715 -18.988 1.00 20.33 N ATOM 922 CA PRO A 60 -4.897 5.111 -19.291 1.00 23.21 C ATOM 923 C PRO A 60 -4.579 5.917 -18.036 1.00 5.04 C ATOM 924 O PRO A 60 -3.917 6.952 -18.104 1.00 73.32 O ATOM 925 CB PRO A 60 -6.169 5.639 -19.958 1.00 71.34 C ATOM 926 CG PRO A 60 -7.261 4.774 -19.430 1.00 53.43 C ATOM 927 CD PRO A 60 -6.651 3.417 -19.221 1.00 22.20 C ATOM 0 HA PRO A 60 -4.006 5.193 -19.914 1.00 23.21 H new ATOM 0 HB2 PRO A 60 -6.340 6.687 -19.711 1.00 71.34 H new ATOM 0 HB3 PRO A 60 -6.103 5.574 -21.044 1.00 71.34 H new ATOM 0 HG2 PRO A 60 -7.656 5.172 -18.495 1.00 53.43 H new ATOM 0 HG3 PRO A 60 -8.093 4.724 -20.132 1.00 53.43 H new ATOM 0 HD2 PRO A 60 -7.098 2.902 -18.371 1.00 22.20 H new ATOM 0 HD3 PRO A 60 -6.790 2.776 -20.091 1.00 22.20 H new ATOM 935 N ASN A 61 -5.054 5.435 -16.892 1.00 63.21 N ATOM 936 CA ASN A 61 -4.819 6.112 -15.622 1.00 32.10 C ATOM 937 C ASN A 61 -3.480 5.695 -15.023 1.00 10.22 C ATOM 938 O ASN A 61 -3.112 6.134 -13.934 1.00 42.32 O ATOM 939 CB ASN A 61 -5.950 5.802 -14.639 1.00 35.34 C ATOM 940 CG ASN A 61 -6.436 4.370 -14.750 1.00 0.24 C ATOM 941 OD1 ASN A 61 -7.113 4.005 -15.712 1.00 55.30 O ATOM 942 ND2 ASN A 61 -6.091 3.550 -13.763 1.00 62.23 N ATOM 0 H ASN A 61 -5.604 4.579 -16.819 1.00 63.21 H new ATOM 0 HA ASN A 61 -4.794 7.185 -15.810 1.00 32.10 H new ATOM 0 HB2 ASN A 61 -5.605 5.988 -13.622 1.00 35.34 H new ATOM 0 HB3 ASN A 61 -6.783 6.481 -14.822 1.00 35.34 H new ATOM 0 HD21 ASN A 61 -6.388 2.574 -13.783 1.00 62.23 H new ATOM 0 HD22 ASN A 61 -5.529 3.896 -12.985 1.00 62.23 H new ATOM 949 N GLY A 62 -2.755 4.843 -15.742 1.00 34.22 N ATOM 950 CA GLY A 62 -1.465 4.380 -15.266 1.00 55.30 C ATOM 951 C GLY A 62 -1.568 3.099 -14.463 1.00 20.43 C ATOM 952 O GLY A 62 -0.777 2.864 -13.549 1.00 62.05 O ATOM 0 H GLY A 62 -3.039 4.465 -16.646 1.00 34.22 H new ATOM 0 HA2 GLY A 62 -0.804 4.219 -16.117 1.00 55.30 H new ATOM 0 HA3 GLY A 62 -1.009 5.155 -14.650 1.00 55.30 H new ATOM 956 N SER A 63 -2.547 2.266 -14.804 1.00 12.22 N ATOM 957 CA SER A 63 -2.755 1.004 -14.105 1.00 32.11 C ATOM 958 C SER A 63 -2.468 -0.179 -15.024 1.00 23.54 C ATOM 959 O SER A 63 -2.094 -0.003 -16.185 1.00 73.34 O ATOM 960 CB SER A 63 -4.188 0.918 -13.577 1.00 21.20 C ATOM 961 OG SER A 63 -4.273 1.402 -12.248 1.00 25.41 O ATOM 0 H SER A 63 -3.208 2.443 -15.560 1.00 12.22 H new ATOM 0 HA SER A 63 -2.063 0.965 -13.264 1.00 32.11 H new ATOM 0 HB2 SER A 63 -4.851 1.496 -14.221 1.00 21.20 H new ATOM 0 HB3 SER A 63 -4.530 -0.116 -13.613 1.00 21.20 H new ATOM 0 HG SER A 63 -5.199 1.338 -11.935 1.00 25.41 H new ATOM 967 N LEU A 64 -2.644 -1.386 -14.498 1.00 74.12 N ATOM 968 CA LEU A 64 -2.405 -2.601 -15.270 1.00 0.41 C ATOM 969 C LEU A 64 -3.591 -3.553 -15.169 1.00 73.42 C ATOM 970 O LEU A 64 -4.055 -3.871 -14.074 1.00 33.52 O ATOM 971 CB LEU A 64 -1.134 -3.298 -14.779 1.00 2.32 C ATOM 972 CG LEU A 64 -1.010 -4.783 -15.119 1.00 4.14 C ATOM 973 CD1 LEU A 64 -1.199 -5.007 -16.612 1.00 13.33 C ATOM 974 CD2 LEU A 64 0.338 -5.324 -14.663 1.00 61.45 C ATOM 0 H LEU A 64 -2.952 -1.550 -13.539 1.00 74.12 H new ATOM 0 HA LEU A 64 -2.278 -2.319 -16.315 1.00 0.41 H new ATOM 0 HB2 LEU A 64 -0.273 -2.777 -15.197 1.00 2.32 H new ATOM 0 HB3 LEU A 64 -1.078 -3.188 -13.696 1.00 2.32 H new ATOM 0 HG LEU A 64 -1.794 -5.324 -14.589 1.00 4.14 H new ATOM 0 HD11 LEU A 64 -1.107 -6.070 -16.835 1.00 13.33 H new ATOM 0 HD12 LEU A 64 -2.188 -4.658 -16.910 1.00 13.33 H new ATOM 0 HD13 LEU A 64 -0.438 -4.454 -17.162 1.00 13.33 H new ATOM 0 HD21 LEU A 64 0.409 -6.383 -14.913 1.00 61.45 H new ATOM 0 HD22 LEU A 64 1.137 -4.778 -15.164 1.00 61.45 H new ATOM 0 HD23 LEU A 64 0.434 -5.199 -13.584 1.00 61.45 H new ATOM 986 N PHE A 65 -4.078 -4.006 -16.320 1.00 72.11 N ATOM 987 CA PHE A 65 -5.211 -4.923 -16.362 1.00 33.32 C ATOM 988 C PHE A 65 -4.873 -6.170 -17.176 1.00 51.55 C ATOM 989 O PHE A 65 -4.283 -6.079 -18.253 1.00 4.41 O ATOM 990 CB PHE A 65 -6.436 -4.228 -16.959 1.00 13.22 C ATOM 991 CG PHE A 65 -7.572 -5.165 -17.258 1.00 3.24 C ATOM 992 CD1 PHE A 65 -7.999 -6.081 -16.310 1.00 42.21 C ATOM 993 CD2 PHE A 65 -8.211 -5.130 -18.486 1.00 44.32 C ATOM 994 CE1 PHE A 65 -9.044 -6.944 -16.581 1.00 31.10 C ATOM 995 CE2 PHE A 65 -9.256 -5.990 -18.763 1.00 61.14 C ATOM 996 CZ PHE A 65 -9.673 -6.899 -17.810 1.00 62.25 C ATOM 0 H PHE A 65 -3.706 -3.753 -17.235 1.00 72.11 H new ATOM 0 HA PHE A 65 -5.437 -5.228 -15.340 1.00 33.32 H new ATOM 0 HB2 PHE A 65 -6.782 -3.460 -16.266 1.00 13.22 H new ATOM 0 HB3 PHE A 65 -6.143 -3.720 -17.878 1.00 13.22 H new ATOM 0 HD1 PHE A 65 -7.510 -6.121 -15.348 1.00 42.21 H new ATOM 0 HD2 PHE A 65 -7.889 -4.422 -19.236 1.00 44.32 H new ATOM 0 HE1 PHE A 65 -9.368 -7.652 -15.833 1.00 31.10 H new ATOM 0 HE2 PHE A 65 -9.747 -5.952 -19.724 1.00 61.14 H new ATOM 0 HZ PHE A 65 -10.489 -7.573 -18.025 1.00 62.25 H new ATOM 1006 N LEU A 66 -5.250 -7.331 -16.653 1.00 62.25 N ATOM 1007 CA LEU A 66 -4.986 -8.596 -17.330 1.00 33.04 C ATOM 1008 C LEU A 66 -6.288 -9.268 -17.755 1.00 41.53 C ATOM 1009 O LEU A 66 -7.214 -9.443 -16.961 1.00 44.22 O ATOM 1010 CB LEU A 66 -4.192 -9.530 -16.416 1.00 74.23 C ATOM 1011 CG LEU A 66 -2.792 -9.057 -16.026 1.00 14.43 C ATOM 1012 CD1 LEU A 66 -2.694 -8.863 -14.520 1.00 71.21 C ATOM 1013 CD2 LEU A 66 -1.740 -10.046 -16.507 1.00 52.00 C ATOM 0 H LEU A 66 -5.739 -7.423 -15.763 1.00 62.25 H new ATOM 0 HA LEU A 66 -4.398 -8.386 -18.224 1.00 33.04 H new ATOM 0 HB2 LEU A 66 -4.767 -9.689 -15.504 1.00 74.23 H new ATOM 0 HB3 LEU A 66 -4.102 -10.498 -16.909 1.00 74.23 H new ATOM 0 HG LEU A 66 -2.607 -8.097 -16.509 1.00 14.43 H new ATOM 0 HD11 LEU A 66 -1.690 -8.526 -14.261 1.00 71.21 H new ATOM 0 HD12 LEU A 66 -3.421 -8.116 -14.201 1.00 71.21 H new ATOM 0 HD13 LEU A 66 -2.901 -9.808 -14.017 1.00 71.21 H new ATOM 0 HD21 LEU A 66 -0.750 -9.692 -16.220 1.00 52.00 H new ATOM 0 HD22 LEU A 66 -1.923 -11.020 -16.054 1.00 52.00 H new ATOM 0 HD23 LEU A 66 -1.793 -10.135 -17.592 1.00 52.00 H new ATOM 1025 N PRO A 67 -6.364 -9.655 -19.037 1.00 5.42 N ATOM 1026 CA PRO A 67 -7.546 -10.317 -19.596 1.00 42.04 C ATOM 1027 C PRO A 67 -7.730 -11.730 -19.056 1.00 3.32 C ATOM 1028 O PRO A 67 -8.854 -12.206 -18.905 1.00 12.22 O ATOM 1029 CB PRO A 67 -7.255 -10.351 -21.099 1.00 73.20 C ATOM 1030 CG PRO A 67 -5.770 -10.312 -21.198 1.00 33.43 C ATOM 1031 CD PRO A 67 -5.299 -9.478 -20.039 1.00 1.04 C ATOM 0 HA PRO A 67 -8.467 -9.794 -19.338 1.00 42.04 H new ATOM 0 HB2 PRO A 67 -7.659 -11.252 -21.560 1.00 73.20 H new ATOM 0 HB3 PRO A 67 -7.708 -9.501 -21.609 1.00 73.20 H new ATOM 0 HG2 PRO A 67 -5.349 -11.317 -21.152 1.00 33.43 H new ATOM 0 HG3 PRO A 67 -5.453 -9.877 -22.146 1.00 33.43 H new ATOM 0 HD2 PRO A 67 -4.334 -9.819 -19.664 1.00 1.04 H new ATOM 0 HD3 PRO A 67 -5.180 -8.431 -20.319 1.00 1.04 H new ATOM 1039 N ALA A 68 -6.617 -12.397 -18.765 1.00 61.52 N ATOM 1040 CA ALA A 68 -6.656 -13.756 -18.239 1.00 2.31 C ATOM 1041 C ALA A 68 -5.289 -14.180 -17.714 1.00 14.21 C ATOM 1042 O ALA A 68 -4.403 -14.547 -18.485 1.00 22.22 O ATOM 1043 CB ALA A 68 -7.135 -14.723 -19.311 1.00 60.42 C ATOM 0 H ALA A 68 -5.678 -12.018 -18.885 1.00 61.52 H new ATOM 0 HA ALA A 68 -7.359 -13.777 -17.406 1.00 2.31 H new ATOM 0 HB1 ALA A 68 -7.159 -15.734 -18.904 1.00 60.42 H new ATOM 0 HB2 ALA A 68 -8.136 -14.439 -19.637 1.00 60.42 H new ATOM 0 HB3 ALA A 68 -6.454 -14.690 -20.161 1.00 60.42 H new ATOM 1049 N VAL A 69 -5.124 -14.128 -16.396 1.00 52.54 N ATOM 1050 CA VAL A 69 -3.864 -14.507 -15.767 1.00 64.25 C ATOM 1051 C VAL A 69 -3.665 -16.018 -15.804 1.00 12.34 C ATOM 1052 O VAL A 69 -4.401 -16.767 -15.163 1.00 35.33 O ATOM 1053 CB VAL A 69 -3.799 -14.026 -14.306 1.00 33.03 C ATOM 1054 CG1 VAL A 69 -3.688 -12.511 -14.246 1.00 13.44 C ATOM 1055 CG2 VAL A 69 -5.015 -14.511 -13.531 1.00 73.43 C ATOM 0 H VAL A 69 -5.847 -13.827 -15.743 1.00 52.54 H new ATOM 0 HA VAL A 69 -3.068 -14.025 -16.335 1.00 64.25 H new ATOM 0 HB VAL A 69 -2.908 -14.449 -13.842 1.00 33.03 H new ATOM 0 HG11 VAL A 69 -3.643 -12.190 -13.205 1.00 13.44 H new ATOM 0 HG12 VAL A 69 -2.783 -12.192 -14.763 1.00 13.44 H new ATOM 0 HG13 VAL A 69 -4.558 -12.063 -14.727 1.00 13.44 H new ATOM 0 HG21 VAL A 69 -4.953 -14.162 -12.500 1.00 73.43 H new ATOM 0 HG22 VAL A 69 -5.921 -14.119 -13.993 1.00 73.43 H new ATOM 0 HG23 VAL A 69 -5.044 -15.601 -13.544 1.00 73.43 H new ATOM 1065 N GLY A 70 -2.664 -16.460 -16.559 1.00 10.22 N ATOM 1066 CA GLY A 70 -2.385 -17.881 -16.664 1.00 42.44 C ATOM 1067 C GLY A 70 -1.454 -18.372 -15.574 1.00 44.23 C ATOM 1068 O GLY A 70 -0.721 -17.585 -14.974 1.00 54.54 O ATOM 0 H GLY A 70 -2.041 -15.860 -17.100 1.00 10.22 H new ATOM 0 HA2 GLY A 70 -3.322 -18.436 -16.615 1.00 42.44 H new ATOM 0 HA3 GLY A 70 -1.941 -18.090 -17.637 1.00 42.44 H new ATOM 1072 N ILE A 71 -1.483 -19.674 -15.316 1.00 30.21 N ATOM 1073 CA ILE A 71 -0.636 -20.269 -14.289 1.00 43.15 C ATOM 1074 C ILE A 71 0.835 -19.948 -14.538 1.00 61.42 C ATOM 1075 O ILE A 71 1.621 -19.832 -13.599 1.00 63.31 O ATOM 1076 CB ILE A 71 -0.814 -21.797 -14.228 1.00 11.53 C ATOM 1077 CG1 ILE A 71 -0.584 -22.301 -12.801 1.00 25.32 C ATOM 1078 CG2 ILE A 71 0.139 -22.481 -15.197 1.00 10.32 C ATOM 1079 CD1 ILE A 71 0.173 -23.609 -12.738 1.00 32.05 C ATOM 0 H ILE A 71 -2.084 -20.338 -15.804 1.00 30.21 H new ATOM 0 HA ILE A 71 -0.944 -19.838 -13.336 1.00 43.15 H new ATOM 0 HB ILE A 71 -1.835 -22.042 -14.521 1.00 11.53 H new ATOM 0 HG12 ILE A 71 -0.034 -21.545 -12.241 1.00 25.32 H new ATOM 0 HG13 ILE A 71 -1.548 -22.424 -12.308 1.00 25.32 H new ATOM 0 HG21 ILE A 71 0.001 -23.561 -15.142 1.00 10.32 H new ATOM 0 HG22 ILE A 71 -0.067 -22.140 -16.212 1.00 10.32 H new ATOM 0 HG23 ILE A 71 1.167 -22.233 -14.933 1.00 10.32 H new ATOM 0 HD11 ILE A 71 0.300 -23.906 -11.697 1.00 32.05 H new ATOM 0 HD12 ILE A 71 -0.386 -24.379 -13.270 1.00 32.05 H new ATOM 0 HD13 ILE A 71 1.152 -23.486 -13.202 1.00 32.05 H new ATOM 1091 N GLN A 72 1.197 -19.806 -15.809 1.00 61.32 N ATOM 1092 CA GLN A 72 2.573 -19.498 -16.181 1.00 53.01 C ATOM 1093 C GLN A 72 2.891 -18.029 -15.922 1.00 32.21 C ATOM 1094 O GLN A 72 4.055 -17.649 -15.798 1.00 64.05 O ATOM 1095 CB GLN A 72 2.812 -19.832 -17.654 1.00 22.53 C ATOM 1096 CG GLN A 72 2.931 -21.324 -17.928 1.00 41.53 C ATOM 1097 CD GLN A 72 2.737 -21.664 -19.392 1.00 23.44 C ATOM 1098 OE1 GLN A 72 1.710 -22.221 -19.781 1.00 71.41 O ATOM 1099 NE2 GLN A 72 3.726 -21.332 -20.214 1.00 61.33 N ATOM 0 H GLN A 72 0.557 -19.899 -16.598 1.00 61.32 H new ATOM 0 HA GLN A 72 3.235 -20.108 -15.566 1.00 53.01 H new ATOM 0 HB2 GLN A 72 1.993 -19.426 -18.248 1.00 22.53 H new ATOM 0 HB3 GLN A 72 3.724 -19.336 -17.987 1.00 22.53 H new ATOM 0 HG2 GLN A 72 3.912 -21.672 -17.605 1.00 41.53 H new ATOM 0 HG3 GLN A 72 2.191 -21.859 -17.333 1.00 41.53 H new ATOM 0 HE21 GLN A 72 4.560 -20.871 -19.849 1.00 61.33 H new ATOM 0 HE22 GLN A 72 3.652 -21.538 -21.210 1.00 61.33 H new ATOM 1108 N ASP A 73 1.849 -17.209 -15.841 1.00 2.40 N ATOM 1109 CA ASP A 73 2.017 -15.782 -15.596 1.00 43.42 C ATOM 1110 C ASP A 73 2.395 -15.520 -14.142 1.00 0.35 C ATOM 1111 O ASP A 73 2.636 -14.379 -13.749 1.00 30.14 O ATOM 1112 CB ASP A 73 0.734 -15.028 -15.946 1.00 42.25 C ATOM 1113 CG ASP A 73 0.839 -14.284 -17.264 1.00 35.41 C ATOM 1114 OD1 ASP A 73 1.584 -14.751 -18.150 1.00 72.43 O ATOM 1115 OD2 ASP A 73 0.176 -13.236 -17.408 1.00 13.33 O ATOM 0 H ASP A 73 0.879 -17.508 -15.941 1.00 2.40 H new ATOM 0 HA ASP A 73 2.826 -15.423 -16.233 1.00 43.42 H new ATOM 0 HB2 ASP A 73 -0.096 -15.733 -15.995 1.00 42.25 H new ATOM 0 HB3 ASP A 73 0.504 -14.320 -15.150 1.00 42.25 H new ATOM 1120 N GLU A 74 2.444 -16.585 -13.348 1.00 12.13 N ATOM 1121 CA GLU A 74 2.791 -16.470 -11.936 1.00 41.31 C ATOM 1122 C GLU A 74 4.162 -15.821 -11.764 1.00 13.12 C ATOM 1123 O GLU A 74 5.078 -16.063 -12.549 1.00 53.34 O ATOM 1124 CB GLU A 74 2.779 -17.848 -11.271 1.00 43.54 C ATOM 1125 CG GLU A 74 1.410 -18.264 -10.759 1.00 61.21 C ATOM 1126 CD GLU A 74 1.429 -19.621 -10.081 1.00 44.23 C ATOM 1127 OE1 GLU A 74 1.787 -20.614 -10.750 1.00 53.33 O ATOM 1128 OE2 GLU A 74 1.086 -19.689 -8.882 1.00 64.43 O ATOM 0 H GLU A 74 2.248 -17.537 -13.658 1.00 12.13 H new ATOM 0 HA GLU A 74 2.046 -15.837 -11.455 1.00 41.31 H new ATOM 0 HB2 GLU A 74 3.131 -18.591 -11.987 1.00 43.54 H new ATOM 0 HB3 GLU A 74 3.484 -17.847 -10.440 1.00 43.54 H new ATOM 0 HG2 GLU A 74 1.046 -17.515 -10.055 1.00 61.21 H new ATOM 0 HG3 GLU A 74 0.707 -18.287 -11.591 1.00 61.21 H new ATOM 1135 N GLY A 75 4.294 -14.995 -10.730 1.00 34.35 N ATOM 1136 CA GLY A 75 5.555 -14.325 -10.473 1.00 54.13 C ATOM 1137 C GLY A 75 5.373 -13.016 -9.730 1.00 44.25 C ATOM 1138 O GLY A 75 4.434 -12.862 -8.950 1.00 32.12 O ATOM 0 H GLY A 75 3.550 -14.778 -10.066 1.00 34.35 H new ATOM 0 HA2 GLY A 75 6.201 -14.983 -9.892 1.00 54.13 H new ATOM 0 HA3 GLY A 75 6.062 -14.135 -11.419 1.00 54.13 H new ATOM 1142 N ILE A 76 6.276 -12.070 -9.972 1.00 22.51 N ATOM 1143 CA ILE A 76 6.211 -10.769 -9.320 1.00 0.31 C ATOM 1144 C ILE A 76 6.191 -9.641 -10.346 1.00 74.24 C ATOM 1145 O ILE A 76 6.986 -9.627 -11.286 1.00 54.15 O ATOM 1146 CB ILE A 76 7.401 -10.558 -8.366 1.00 13.55 C ATOM 1147 CG1 ILE A 76 7.626 -11.807 -7.511 1.00 53.44 C ATOM 1148 CG2 ILE A 76 7.164 -9.341 -7.484 1.00 32.15 C ATOM 1149 CD1 ILE A 76 8.800 -11.689 -6.564 1.00 54.54 C ATOM 0 H ILE A 76 7.060 -12.181 -10.615 1.00 22.51 H new ATOM 0 HA ILE A 76 5.286 -10.750 -8.744 1.00 0.31 H new ATOM 0 HB ILE A 76 8.297 -10.382 -8.961 1.00 13.55 H new ATOM 0 HG12 ILE A 76 6.724 -12.010 -6.934 1.00 53.44 H new ATOM 0 HG13 ILE A 76 7.784 -12.663 -8.167 1.00 53.44 H new ATOM 0 HG21 ILE A 76 8.014 -9.205 -6.815 1.00 32.15 H new ATOM 0 HG22 ILE A 76 7.049 -8.455 -8.109 1.00 32.15 H new ATOM 0 HG23 ILE A 76 6.259 -9.489 -6.895 1.00 32.15 H new ATOM 0 HD11 ILE A 76 8.899 -12.611 -5.991 1.00 54.54 H new ATOM 0 HD12 ILE A 76 9.712 -11.517 -7.135 1.00 54.54 H new ATOM 0 HD13 ILE A 76 8.636 -10.854 -5.883 1.00 54.54 H new ATOM 1161 N PHE A 77 5.277 -8.695 -10.157 1.00 41.24 N ATOM 1162 CA PHE A 77 5.152 -7.561 -11.066 1.00 50.30 C ATOM 1163 C PHE A 77 5.761 -6.303 -10.453 1.00 54.22 C ATOM 1164 O PHE A 77 5.595 -6.037 -9.261 1.00 64.43 O ATOM 1165 CB PHE A 77 3.681 -7.314 -11.409 1.00 3.21 C ATOM 1166 CG PHE A 77 3.389 -5.896 -11.809 1.00 42.51 C ATOM 1167 CD1 PHE A 77 3.979 -5.343 -12.935 1.00 31.34 C ATOM 1168 CD2 PHE A 77 2.523 -5.116 -11.060 1.00 43.41 C ATOM 1169 CE1 PHE A 77 3.712 -4.040 -13.305 1.00 65.14 C ATOM 1170 CE2 PHE A 77 2.252 -3.811 -11.427 1.00 52.54 C ATOM 1171 CZ PHE A 77 2.848 -3.272 -12.550 1.00 44.44 C ATOM 0 H PHE A 77 4.612 -8.691 -9.383 1.00 41.24 H new ATOM 0 HA PHE A 77 5.696 -7.799 -11.980 1.00 50.30 H new ATOM 0 HB2 PHE A 77 3.389 -7.980 -12.221 1.00 3.21 H new ATOM 0 HB3 PHE A 77 3.067 -7.574 -10.547 1.00 3.21 H new ATOM 0 HD1 PHE A 77 4.656 -5.939 -13.530 1.00 31.34 H new ATOM 0 HD2 PHE A 77 2.055 -5.532 -10.180 1.00 43.41 H new ATOM 0 HE1 PHE A 77 4.179 -3.622 -14.185 1.00 65.14 H new ATOM 0 HE2 PHE A 77 1.574 -3.213 -10.836 1.00 52.54 H new ATOM 0 HZ PHE A 77 2.639 -2.252 -12.837 1.00 44.44 H new ATOM 1181 N ARG A 78 6.466 -5.532 -11.275 1.00 34.01 N ATOM 1182 CA ARG A 78 7.101 -4.303 -10.814 1.00 35.33 C ATOM 1183 C ARG A 78 6.705 -3.123 -11.695 1.00 32.22 C ATOM 1184 O ARG A 78 6.594 -3.254 -12.914 1.00 72.33 O ATOM 1185 CB ARG A 78 8.622 -4.462 -10.808 1.00 4.21 C ATOM 1186 CG ARG A 78 9.092 -5.815 -10.300 1.00 64.41 C ATOM 1187 CD ARG A 78 9.659 -6.666 -11.426 1.00 3.55 C ATOM 1188 NE ARG A 78 10.806 -7.457 -10.989 1.00 3.35 N ATOM 1189 CZ ARG A 78 11.711 -7.963 -11.821 1.00 70.11 C ATOM 1190 NH1 ARG A 78 11.602 -7.760 -13.126 1.00 71.14 N ATOM 1191 NH2 ARG A 78 12.727 -8.673 -11.347 1.00 70.00 N ATOM 0 H ARG A 78 6.612 -5.737 -12.264 1.00 34.01 H new ATOM 0 HA ARG A 78 6.759 -4.105 -9.798 1.00 35.33 H new ATOM 0 HB2 ARG A 78 8.998 -4.313 -11.820 1.00 4.21 H new ATOM 0 HB3 ARG A 78 9.058 -3.679 -10.187 1.00 4.21 H new ATOM 0 HG2 ARG A 78 9.852 -5.673 -9.532 1.00 64.41 H new ATOM 0 HG3 ARG A 78 8.259 -6.338 -9.831 1.00 64.41 H new ATOM 0 HD2 ARG A 78 8.883 -7.331 -11.804 1.00 3.55 H new ATOM 0 HD3 ARG A 78 9.957 -6.021 -12.253 1.00 3.55 H new ATOM 0 HE ARG A 78 10.919 -7.631 -9.990 1.00 3.35 H new ATOM 0 HH11 ARG A 78 10.823 -7.215 -13.494 1.00 71.14 H new ATOM 0 HH12 ARG A 78 12.298 -8.149 -13.763 1.00 71.14 H new ATOM 0 HH21 ARG A 78 12.814 -8.831 -10.343 1.00 70.00 H new ATOM 0 HH22 ARG A 78 13.421 -9.061 -11.987 1.00 70.00 H new ATOM 1205 N CYS A 79 6.492 -1.970 -11.070 1.00 61.10 N ATOM 1206 CA CYS A 79 6.107 -0.766 -11.795 1.00 61.34 C ATOM 1207 C CYS A 79 7.054 0.387 -11.478 1.00 51.20 C ATOM 1208 O CYS A 79 7.664 0.426 -10.410 1.00 32.42 O ATOM 1209 CB CYS A 79 4.670 -0.371 -11.446 1.00 31.12 C ATOM 1210 SG CYS A 79 3.947 0.871 -12.565 1.00 11.41 S ATOM 0 H CYS A 79 6.580 -1.844 -10.062 1.00 61.10 H new ATOM 0 HA CYS A 79 6.168 -0.981 -12.862 1.00 61.34 H new ATOM 0 HB2 CYS A 79 4.046 -1.264 -11.460 1.00 31.12 H new ATOM 0 HB3 CYS A 79 4.648 0.017 -10.428 1.00 31.12 H new ATOM 1215 N GLN A 80 7.171 1.325 -12.411 1.00 61.45 N ATOM 1216 CA GLN A 80 8.043 2.479 -12.231 1.00 0.24 C ATOM 1217 C GLN A 80 7.385 3.749 -12.762 1.00 72.10 C ATOM 1218 O GLN A 80 6.889 3.777 -13.888 1.00 43.45 O ATOM 1219 CB GLN A 80 9.381 2.250 -12.938 1.00 74.13 C ATOM 1220 CG GLN A 80 9.886 3.468 -13.692 1.00 25.40 C ATOM 1221 CD GLN A 80 11.269 3.259 -14.278 1.00 21.01 C ATOM 1222 OE1 GLN A 80 11.959 2.296 -13.942 1.00 3.32 O ATOM 1223 NE2 GLN A 80 11.681 4.162 -15.160 1.00 45.01 N ATOM 0 H GLN A 80 6.672 1.309 -13.301 1.00 61.45 H new ATOM 0 HA GLN A 80 8.221 2.604 -11.163 1.00 0.24 H new ATOM 0 HB2 GLN A 80 10.127 1.955 -12.200 1.00 74.13 H new ATOM 0 HB3 GLN A 80 9.276 1.419 -13.635 1.00 74.13 H new ATOM 0 HG2 GLN A 80 9.188 3.709 -14.494 1.00 25.40 H new ATOM 0 HG3 GLN A 80 9.906 4.325 -13.019 1.00 25.40 H new ATOM 0 HE21 GLN A 80 11.076 4.944 -15.409 1.00 45.01 H new ATOM 0 HE22 GLN A 80 12.602 4.073 -15.588 1.00 45.01 H new ATOM 1232 N ALA A 81 7.385 4.796 -11.944 1.00 51.31 N ATOM 1233 CA ALA A 81 6.789 6.068 -12.333 1.00 51.30 C ATOM 1234 C ALA A 81 7.735 7.229 -12.043 1.00 12.24 C ATOM 1235 O ALA A 81 8.691 7.086 -11.281 1.00 11.35 O ATOM 1236 CB ALA A 81 5.464 6.272 -11.613 1.00 3.51 C ATOM 0 H ALA A 81 7.791 4.789 -11.008 1.00 51.31 H new ATOM 0 HA ALA A 81 6.606 6.042 -13.407 1.00 51.30 H new ATOM 0 HB1 ALA A 81 5.030 7.226 -11.913 1.00 3.51 H new ATOM 0 HB2 ALA A 81 4.780 5.464 -11.874 1.00 3.51 H new ATOM 0 HB3 ALA A 81 5.631 6.272 -10.536 1.00 3.51 H new ATOM 1242 N MET A 82 7.463 8.375 -12.656 1.00 54.21 N ATOM 1243 CA MET A 82 8.291 9.561 -12.462 1.00 34.12 C ATOM 1244 C MET A 82 7.434 10.765 -12.082 1.00 3.02 C ATOM 1245 O MET A 82 6.497 11.121 -12.794 1.00 73.21 O ATOM 1246 CB MET A 82 9.087 9.866 -13.731 1.00 41.02 C ATOM 1247 CG MET A 82 9.799 11.208 -13.694 1.00 43.21 C ATOM 1248 SD MET A 82 11.337 11.204 -14.636 1.00 53.43 S ATOM 1249 CE MET A 82 12.417 10.318 -13.516 1.00 41.52 C ATOM 0 H MET A 82 6.676 8.509 -13.291 1.00 54.21 H new ATOM 0 HA MET A 82 8.986 9.360 -11.646 1.00 34.12 H new ATOM 0 HB2 MET A 82 9.823 9.078 -13.886 1.00 41.02 H new ATOM 0 HB3 MET A 82 8.412 9.845 -14.587 1.00 41.02 H new ATOM 0 HG2 MET A 82 9.137 11.978 -14.090 1.00 43.21 H new ATOM 0 HG3 MET A 82 10.012 11.473 -12.659 1.00 43.21 H new ATOM 0 HE1 MET A 82 13.375 10.833 -13.451 1.00 41.52 H new ATOM 0 HE2 MET A 82 11.960 10.275 -12.527 1.00 41.52 H new ATOM 0 HE3 MET A 82 12.574 9.305 -13.887 1.00 41.52 H new ATOM 1259 N ASN A 83 7.765 11.389 -10.956 1.00 71.10 N ATOM 1260 CA ASN A 83 7.026 12.553 -10.482 1.00 50.22 C ATOM 1261 C ASN A 83 7.584 13.837 -11.090 1.00 24.23 C ATOM 1262 O ASN A 83 8.609 13.818 -11.773 1.00 60.50 O ATOM 1263 CB ASN A 83 7.082 12.632 -8.956 1.00 53.41 C ATOM 1264 CG ASN A 83 6.035 11.759 -8.292 1.00 45.20 C ATOM 1265 OD1 ASN A 83 5.011 12.249 -7.818 1.00 70.35 O ATOM 1266 ND2 ASN A 83 6.290 10.456 -8.256 1.00 33.10 N ATOM 0 H ASN A 83 8.540 11.108 -10.355 1.00 71.10 H new ATOM 0 HA ASN A 83 5.988 12.445 -10.796 1.00 50.22 H new ATOM 0 HB2 ASN A 83 8.072 12.329 -8.616 1.00 53.41 H new ATOM 0 HB3 ASN A 83 6.940 13.666 -8.643 1.00 53.41 H new ATOM 0 HD21 ASN A 83 5.623 9.818 -7.822 1.00 33.10 H new ATOM 0 HD22 ASN A 83 7.153 10.094 -8.662 1.00 33.10 H new ATOM 1273 N ARG A 84 6.904 14.950 -10.837 1.00 41.32 N ATOM 1274 CA ARG A 84 7.331 16.243 -11.359 1.00 23.34 C ATOM 1275 C ARG A 84 8.615 16.706 -10.678 1.00 2.51 C ATOM 1276 O ARG A 84 9.324 17.572 -11.190 1.00 64.33 O ATOM 1277 CB ARG A 84 6.230 17.286 -11.161 1.00 61.23 C ATOM 1278 CG ARG A 84 5.930 17.585 -9.701 1.00 42.43 C ATOM 1279 CD ARG A 84 4.551 18.203 -9.531 1.00 62.11 C ATOM 1280 NE ARG A 84 4.228 18.443 -8.127 1.00 64.23 N ATOM 1281 CZ ARG A 84 3.856 17.486 -7.285 1.00 32.21 C ATOM 1282 NH1 ARG A 84 3.760 16.231 -7.702 1.00 60.31 N ATOM 1283 NH2 ARG A 84 3.578 17.783 -6.022 1.00 44.12 N ATOM 0 H ARG A 84 6.054 14.983 -10.273 1.00 41.32 H new ATOM 0 HA ARG A 84 7.526 16.130 -12.425 1.00 23.34 H new ATOM 0 HB2 ARG A 84 6.523 18.210 -11.660 1.00 61.23 H new ATOM 0 HB3 ARG A 84 5.319 16.937 -11.646 1.00 61.23 H new ATOM 0 HG2 ARG A 84 5.992 16.665 -9.120 1.00 42.43 H new ATOM 0 HG3 ARG A 84 6.685 18.264 -9.305 1.00 42.43 H new ATOM 0 HD2 ARG A 84 4.505 19.144 -10.079 1.00 62.11 H new ATOM 0 HD3 ARG A 84 3.802 17.543 -9.968 1.00 62.11 H new ATOM 0 HE ARG A 84 4.292 19.398 -7.774 1.00 64.23 H new ATOM 0 HH11 ARG A 84 3.972 15.998 -8.672 1.00 60.31 H new ATOM 0 HH12 ARG A 84 3.474 15.498 -7.053 1.00 60.31 H new ATOM 0 HH21 ARG A 84 3.650 18.747 -5.697 1.00 44.12 H new ATOM 0 HH22 ARG A 84 3.292 17.047 -5.376 1.00 44.12 H new ATOM 1297 N ASN A 85 8.907 16.125 -9.518 1.00 44.32 N ATOM 1298 CA ASN A 85 10.106 16.480 -8.766 1.00 74.23 C ATOM 1299 C ASN A 85 11.352 15.894 -9.420 1.00 65.41 C ATOM 1300 O ASN A 85 12.467 16.359 -9.185 1.00 71.04 O ATOM 1301 CB ASN A 85 9.992 15.984 -7.323 1.00 34.21 C ATOM 1302 CG ASN A 85 9.036 16.823 -6.497 1.00 20.21 C ATOM 1303 OD1 ASN A 85 8.060 16.312 -5.948 1.00 73.41 O ATOM 1304 ND2 ASN A 85 9.313 18.118 -6.405 1.00 40.54 N ATOM 0 H ASN A 85 8.331 15.407 -9.079 1.00 44.32 H new ATOM 0 HA ASN A 85 10.196 17.566 -8.764 1.00 74.23 H new ATOM 0 HB2 ASN A 85 9.654 14.948 -7.324 1.00 34.21 H new ATOM 0 HB3 ASN A 85 10.978 15.998 -6.858 1.00 34.21 H new ATOM 0 HD21 ASN A 85 8.706 18.732 -5.862 1.00 40.54 H new ATOM 0 HD22 ASN A 85 10.133 18.499 -6.877 1.00 40.54 H new ATOM 1311 N GLY A 86 11.156 14.869 -10.244 1.00 61.53 N ATOM 1312 CA GLY A 86 12.273 14.236 -10.921 1.00 42.10 C ATOM 1313 C GLY A 86 12.619 12.885 -10.328 1.00 11.32 C ATOM 1314 O GLY A 86 13.431 12.143 -10.884 1.00 51.34 O ATOM 0 H GLY A 86 10.243 14.466 -10.455 1.00 61.53 H new ATOM 0 HA2 GLY A 86 12.033 14.115 -11.977 1.00 42.10 H new ATOM 0 HA3 GLY A 86 13.145 14.888 -10.865 1.00 42.10 H new ATOM 1318 N LYS A 87 12.005 12.563 -9.195 1.00 32.03 N ATOM 1319 CA LYS A 87 12.252 11.291 -8.525 1.00 52.14 C ATOM 1320 C LYS A 87 11.369 10.190 -9.104 1.00 15.33 C ATOM 1321 O LYS A 87 10.249 10.449 -9.546 1.00 4.34 O ATOM 1322 CB LYS A 87 11.998 11.427 -7.022 1.00 20.55 C ATOM 1323 CG LYS A 87 12.634 12.660 -6.405 1.00 4.23 C ATOM 1324 CD LYS A 87 13.087 12.400 -4.978 1.00 63.33 C ATOM 1325 CE LYS A 87 14.527 11.915 -4.929 1.00 31.31 C ATOM 1326 NZ LYS A 87 15.162 12.193 -3.611 1.00 63.55 N ATOM 0 H LYS A 87 11.332 13.165 -8.721 1.00 32.03 H new ATOM 0 HA LYS A 87 13.295 11.018 -8.688 1.00 52.14 H new ATOM 0 HB2 LYS A 87 10.923 11.457 -6.845 1.00 20.55 H new ATOM 0 HB3 LYS A 87 12.380 10.540 -6.516 1.00 20.55 H new ATOM 0 HG2 LYS A 87 13.488 12.970 -7.008 1.00 4.23 H new ATOM 0 HG3 LYS A 87 11.920 13.483 -6.416 1.00 4.23 H new ATOM 0 HD2 LYS A 87 12.990 13.314 -4.392 1.00 63.33 H new ATOM 0 HD3 LYS A 87 12.436 11.656 -4.518 1.00 63.33 H new ATOM 0 HE2 LYS A 87 14.556 10.844 -5.127 1.00 31.31 H new ATOM 0 HE3 LYS A 87 15.101 12.401 -5.718 1.00 31.31 H new ATOM 0 HZ1 LYS A 87 16.143 11.847 -3.618 1.00 63.55 H new ATOM 0 HZ2 LYS A 87 15.157 13.218 -3.433 1.00 63.55 H new ATOM 0 HZ3 LYS A 87 14.630 11.709 -2.860 1.00 63.55 H new ATOM 1340 N GLU A 88 11.879 8.963 -9.095 1.00 3.42 N ATOM 1341 CA GLU A 88 11.135 7.823 -9.618 1.00 25.01 C ATOM 1342 C GLU A 88 10.558 6.982 -8.483 1.00 65.23 C ATOM 1343 O GLU A 88 11.207 6.770 -7.459 1.00 3.42 O ATOM 1344 CB GLU A 88 12.038 6.959 -10.500 1.00 63.33 C ATOM 1345 CG GLU A 88 11.410 5.634 -10.900 1.00 64.13 C ATOM 1346 CD GLU A 88 12.033 4.453 -10.181 1.00 4.01 C ATOM 1347 OE1 GLU A 88 12.302 4.572 -8.967 1.00 50.24 O ATOM 1348 OE2 GLU A 88 12.252 3.409 -10.832 1.00 42.43 O ATOM 0 H GLU A 88 12.804 8.733 -8.732 1.00 3.42 H new ATOM 0 HA GLU A 88 10.310 8.205 -10.219 1.00 25.01 H new ATOM 0 HB2 GLU A 88 12.294 7.517 -11.401 1.00 63.33 H new ATOM 0 HB3 GLU A 88 12.971 6.764 -9.970 1.00 63.33 H new ATOM 0 HG2 GLU A 88 10.342 5.663 -10.685 1.00 64.13 H new ATOM 0 HG3 GLU A 88 11.515 5.496 -11.976 1.00 64.13 H new ATOM 1355 N THR A 89 9.332 6.505 -8.674 1.00 11.13 N ATOM 1356 CA THR A 89 8.666 5.688 -7.667 1.00 73.04 C ATOM 1357 C THR A 89 8.641 4.221 -8.077 1.00 2.01 C ATOM 1358 O THR A 89 8.300 3.888 -9.212 1.00 34.31 O ATOM 1359 CB THR A 89 7.221 6.165 -7.422 1.00 44.23 C ATOM 1360 OG1 THR A 89 7.072 7.521 -7.860 1.00 2.52 O ATOM 1361 CG2 THR A 89 6.858 6.059 -5.950 1.00 54.53 C ATOM 0 H THR A 89 8.781 6.670 -9.516 1.00 11.13 H new ATOM 0 HA THR A 89 9.238 5.795 -6.745 1.00 73.04 H new ATOM 0 HB THR A 89 6.549 5.524 -7.992 1.00 44.23 H new ATOM 0 HG1 THR A 89 6.421 7.980 -7.289 1.00 2.52 H new ATOM 0 HG21 THR A 89 5.834 6.401 -5.802 1.00 54.53 H new ATOM 0 HG22 THR A 89 6.944 5.021 -5.628 1.00 54.53 H new ATOM 0 HG23 THR A 89 7.536 6.678 -5.363 1.00 54.53 H new ATOM 1369 N LYS A 90 9.006 3.345 -7.146 1.00 61.54 N ATOM 1370 CA LYS A 90 9.024 1.911 -7.410 1.00 1.33 C ATOM 1371 C LYS A 90 7.845 1.219 -6.734 1.00 74.52 C ATOM 1372 O LYS A 90 7.427 1.606 -5.642 1.00 62.25 O ATOM 1373 CB LYS A 90 10.338 1.298 -6.919 1.00 51.41 C ATOM 1374 CG LYS A 90 11.569 2.079 -7.345 1.00 70.20 C ATOM 1375 CD LYS A 90 12.757 1.161 -7.580 1.00 41.02 C ATOM 1376 CE LYS A 90 13.175 1.155 -9.043 1.00 33.03 C ATOM 1377 NZ LYS A 90 14.302 2.094 -9.301 1.00 61.33 N ATOM 0 H LYS A 90 9.293 3.603 -6.202 1.00 61.54 H new ATOM 0 HA LYS A 90 8.941 1.764 -8.487 1.00 1.33 H new ATOM 0 HB2 LYS A 90 10.316 1.235 -5.831 1.00 51.41 H new ATOM 0 HB3 LYS A 90 10.417 0.278 -7.295 1.00 51.41 H new ATOM 0 HG2 LYS A 90 11.351 2.635 -8.257 1.00 70.20 H new ATOM 0 HG3 LYS A 90 11.820 2.812 -6.578 1.00 70.20 H new ATOM 0 HD2 LYS A 90 13.595 1.483 -6.962 1.00 41.02 H new ATOM 0 HD3 LYS A 90 12.503 0.148 -7.269 1.00 41.02 H new ATOM 0 HE2 LYS A 90 13.469 0.146 -9.333 1.00 33.03 H new ATOM 0 HE3 LYS A 90 12.323 1.430 -9.665 1.00 33.03 H new ATOM 0 HZ1 LYS A 90 14.012 2.799 -10.009 1.00 61.33 H new ATOM 0 HZ2 LYS A 90 14.561 2.577 -8.417 1.00 61.33 H new ATOM 0 HZ3 LYS A 90 15.122 1.563 -9.658 1.00 61.33 H new ATOM 1391 N SER A 91 7.313 0.192 -7.389 1.00 35.43 N ATOM 1392 CA SER A 91 6.180 -0.553 -6.852 1.00 32.22 C ATOM 1393 C SER A 91 6.286 -2.034 -7.206 1.00 3.31 C ATOM 1394 O SER A 91 6.445 -2.395 -8.371 1.00 62.13 O ATOM 1395 CB SER A 91 4.866 0.018 -7.389 1.00 63.33 C ATOM 1396 OG SER A 91 3.750 -0.627 -6.800 1.00 21.55 O ATOM 0 H SER A 91 7.648 -0.143 -8.292 1.00 35.43 H new ATOM 0 HA SER A 91 6.194 -0.455 -5.767 1.00 32.22 H new ATOM 0 HB2 SER A 91 4.821 1.088 -7.185 1.00 63.33 H new ATOM 0 HB3 SER A 91 4.829 -0.102 -8.472 1.00 63.33 H new ATOM 0 HG SER A 91 3.059 -0.770 -7.480 1.00 21.55 H new ATOM 1402 N ASN A 92 6.197 -2.886 -6.190 1.00 40.02 N ATOM 1403 CA ASN A 92 6.284 -4.328 -6.392 1.00 3.33 C ATOM 1404 C ASN A 92 5.003 -5.019 -5.936 1.00 34.00 C ATOM 1405 O ASN A 92 4.580 -4.871 -4.789 1.00 21.43 O ATOM 1406 CB ASN A 92 7.483 -4.898 -5.632 1.00 25.53 C ATOM 1407 CG ASN A 92 7.894 -6.266 -6.145 1.00 61.21 C ATOM 1408 OD1 ASN A 92 7.897 -7.245 -5.399 1.00 23.13 O ATOM 1409 ND2 ASN A 92 8.245 -6.338 -7.424 1.00 51.13 N ATOM 0 H ASN A 92 6.065 -2.603 -5.219 1.00 40.02 H new ATOM 0 HA ASN A 92 6.416 -4.514 -7.458 1.00 3.33 H new ATOM 0 HB2 ASN A 92 8.325 -4.212 -5.720 1.00 25.53 H new ATOM 0 HB3 ASN A 92 7.238 -4.969 -4.572 1.00 25.53 H new ATOM 0 HD21 ASN A 92 8.532 -7.231 -7.825 1.00 51.13 H new ATOM 0 HD22 ASN A 92 8.227 -5.500 -8.006 1.00 51.13 H new ATOM 1416 N TYR A 93 4.391 -5.774 -6.841 1.00 74.23 N ATOM 1417 CA TYR A 93 3.157 -6.488 -6.532 1.00 42.22 C ATOM 1418 C TYR A 93 3.269 -7.960 -6.914 1.00 12.25 C ATOM 1419 O TYR A 93 3.475 -8.298 -8.079 1.00 41.21 O ATOM 1420 CB TYR A 93 1.976 -5.848 -7.266 1.00 3.05 C ATOM 1421 CG TYR A 93 1.380 -4.665 -6.538 1.00 61.33 C ATOM 1422 CD1 TYR A 93 2.133 -3.524 -6.291 1.00 71.33 C ATOM 1423 CD2 TYR A 93 0.062 -4.688 -6.097 1.00 30.14 C ATOM 1424 CE1 TYR A 93 1.592 -2.441 -5.626 1.00 74.42 C ATOM 1425 CE2 TYR A 93 -0.488 -3.610 -5.432 1.00 62.31 C ATOM 1426 CZ TYR A 93 0.280 -2.489 -5.199 1.00 4.53 C ATOM 1427 OH TYR A 93 -0.261 -1.412 -4.536 1.00 73.45 O ATOM 0 H TYR A 93 4.729 -5.908 -7.794 1.00 74.23 H new ATOM 0 HA TYR A 93 2.988 -6.422 -5.457 1.00 42.22 H new ATOM 0 HB2 TYR A 93 2.304 -5.528 -8.255 1.00 3.05 H new ATOM 0 HB3 TYR A 93 1.201 -6.600 -7.415 1.00 3.05 H new ATOM 0 HD1 TYR A 93 3.159 -3.483 -6.625 1.00 71.33 H new ATOM 0 HD2 TYR A 93 -0.543 -5.564 -6.278 1.00 30.14 H new ATOM 0 HE1 TYR A 93 2.192 -1.562 -5.441 1.00 74.42 H new ATOM 0 HE2 TYR A 93 -1.514 -3.645 -5.096 1.00 62.31 H new ATOM 0 HH TYR A 93 0.250 -1.242 -3.717 1.00 73.45 H new ATOM 1437 N ARG A 94 3.132 -8.834 -5.921 1.00 3.12 N ATOM 1438 CA ARG A 94 3.219 -10.271 -6.151 1.00 34.05 C ATOM 1439 C ARG A 94 1.874 -10.831 -6.605 1.00 61.22 C ATOM 1440 O ARG A 94 0.831 -10.511 -6.035 1.00 44.31 O ATOM 1441 CB ARG A 94 3.676 -10.986 -4.877 1.00 53.21 C ATOM 1442 CG ARG A 94 4.944 -10.405 -4.275 1.00 53.32 C ATOM 1443 CD ARG A 94 4.657 -9.666 -2.977 1.00 35.02 C ATOM 1444 NE ARG A 94 5.754 -9.792 -2.021 1.00 41.10 N ATOM 1445 CZ ARG A 94 5.926 -10.848 -1.234 1.00 51.43 C ATOM 1446 NH1 ARG A 94 5.078 -11.865 -1.289 1.00 73.03 N ATOM 1447 NH2 ARG A 94 6.949 -10.889 -0.390 1.00 44.14 N ATOM 0 H ARG A 94 2.960 -8.572 -4.950 1.00 3.12 H new ATOM 0 HA ARG A 94 3.951 -10.444 -6.940 1.00 34.05 H new ATOM 0 HB2 ARG A 94 2.877 -10.938 -4.137 1.00 53.21 H new ATOM 0 HB3 ARG A 94 3.840 -12.040 -5.101 1.00 53.21 H new ATOM 0 HG2 ARG A 94 5.659 -11.206 -4.088 1.00 53.32 H new ATOM 0 HG3 ARG A 94 5.407 -9.723 -4.988 1.00 53.32 H new ATOM 0 HD2 ARG A 94 4.482 -8.612 -3.191 1.00 35.02 H new ATOM 0 HD3 ARG A 94 3.742 -10.057 -2.532 1.00 35.02 H new ATOM 0 HE ARG A 94 6.425 -9.027 -1.954 1.00 41.10 H new ATOM 0 HH11 ARG A 94 4.291 -11.838 -1.937 1.00 73.03 H new ATOM 0 HH12 ARG A 94 5.213 -12.675 -0.683 1.00 73.03 H new ATOM 0 HH21 ARG A 94 7.605 -10.109 -0.345 1.00 44.14 H new ATOM 0 HH22 ARG A 94 7.080 -11.701 0.214 1.00 44.14 H new ATOM 1461 N VAL A 95 1.907 -11.668 -7.638 1.00 40.15 N ATOM 1462 CA VAL A 95 0.692 -12.273 -8.170 1.00 53.23 C ATOM 1463 C VAL A 95 0.779 -13.794 -8.146 1.00 70.41 C ATOM 1464 O VAL A 95 1.803 -14.373 -8.507 1.00 22.53 O ATOM 1465 CB VAL A 95 0.419 -11.808 -9.613 1.00 34.22 C ATOM 1466 CG1 VAL A 95 -0.727 -12.601 -10.222 1.00 32.01 C ATOM 1467 CG2 VAL A 95 0.121 -10.317 -9.645 1.00 40.12 C ATOM 0 H VAL A 95 2.762 -11.942 -8.122 1.00 40.15 H new ATOM 0 HA VAL A 95 -0.129 -11.949 -7.530 1.00 53.23 H new ATOM 0 HB VAL A 95 1.313 -11.990 -10.209 1.00 34.22 H new ATOM 0 HG11 VAL A 95 -0.905 -12.258 -11.241 1.00 32.01 H new ATOM 0 HG12 VAL A 95 -0.470 -13.660 -10.235 1.00 32.01 H new ATOM 0 HG13 VAL A 95 -1.628 -12.453 -9.627 1.00 32.01 H new ATOM 0 HG21 VAL A 95 -0.069 -10.006 -10.672 1.00 40.12 H new ATOM 0 HG22 VAL A 95 -0.757 -10.108 -9.034 1.00 40.12 H new ATOM 0 HG23 VAL A 95 0.976 -9.767 -9.252 1.00 40.12 H new ATOM 1477 N ARG A 96 -0.303 -14.438 -7.717 1.00 43.43 N ATOM 1478 CA ARG A 96 -0.348 -15.893 -7.645 1.00 71.02 C ATOM 1479 C ARG A 96 -1.632 -16.428 -8.272 1.00 44.00 C ATOM 1480 O ARG A 96 -2.677 -15.778 -8.225 1.00 3.12 O ATOM 1481 CB ARG A 96 -0.245 -16.356 -6.191 1.00 61.43 C ATOM 1482 CG ARG A 96 1.007 -17.164 -5.896 1.00 3.42 C ATOM 1483 CD ARG A 96 2.235 -16.273 -5.800 1.00 15.43 C ATOM 1484 NE ARG A 96 2.170 -15.375 -4.650 1.00 44.42 N ATOM 1485 CZ ARG A 96 3.233 -14.778 -4.122 1.00 11.12 C ATOM 1486 NH1 ARG A 96 4.438 -14.984 -4.638 1.00 13.21 N ATOM 1487 NH2 ARG A 96 3.094 -13.973 -3.077 1.00 33.25 N ATOM 0 H ARG A 96 -1.160 -13.974 -7.414 1.00 43.43 H new ATOM 0 HA ARG A 96 0.500 -16.287 -8.205 1.00 71.02 H new ATOM 0 HB2 ARG A 96 -0.266 -15.483 -5.538 1.00 61.43 H new ATOM 0 HB3 ARG A 96 -1.121 -16.957 -5.947 1.00 61.43 H new ATOM 0 HG2 ARG A 96 0.878 -17.709 -4.961 1.00 3.42 H new ATOM 0 HG3 ARG A 96 1.155 -17.907 -6.680 1.00 3.42 H new ATOM 0 HD2 ARG A 96 3.128 -16.893 -5.726 1.00 15.43 H new ATOM 0 HD3 ARG A 96 2.330 -15.686 -6.714 1.00 15.43 H new ATOM 0 HE ARG A 96 1.258 -15.196 -4.229 1.00 44.42 H new ATOM 0 HH11 ARG A 96 4.550 -15.602 -5.442 1.00 13.21 H new ATOM 0 HH12 ARG A 96 5.253 -14.524 -4.231 1.00 13.21 H new ATOM 0 HH21 ARG A 96 2.170 -13.811 -2.677 1.00 33.25 H new ATOM 0 HH22 ARG A 96 3.911 -13.516 -2.673 1.00 33.25 H new ATOM 1501 N VAL A 97 -1.546 -17.618 -8.859 1.00 54.23 N ATOM 1502 CA VAL A 97 -2.701 -18.241 -9.494 1.00 60.20 C ATOM 1503 C VAL A 97 -3.167 -19.463 -8.709 1.00 61.23 C ATOM 1504 O VAL A 97 -2.645 -19.760 -7.635 1.00 21.11 O ATOM 1505 CB VAL A 97 -2.385 -18.664 -10.941 1.00 61.44 C ATOM 1506 CG1 VAL A 97 -1.734 -17.519 -11.702 1.00 22.13 C ATOM 1507 CG2 VAL A 97 -1.496 -19.898 -10.954 1.00 14.12 C ATOM 0 H VAL A 97 -0.689 -18.169 -8.908 1.00 54.23 H new ATOM 0 HA VAL A 97 -3.496 -17.496 -9.506 1.00 60.20 H new ATOM 0 HB VAL A 97 -3.321 -18.914 -11.440 1.00 61.44 H new ATOM 0 HG11 VAL A 97 -1.518 -17.836 -12.722 1.00 22.13 H new ATOM 0 HG12 VAL A 97 -2.411 -16.665 -11.723 1.00 22.13 H new ATOM 0 HG13 VAL A 97 -0.806 -17.234 -11.207 1.00 22.13 H new ATOM 0 HG21 VAL A 97 -1.283 -20.182 -11.985 1.00 14.12 H new ATOM 0 HG22 VAL A 97 -0.561 -19.679 -10.438 1.00 14.12 H new ATOM 0 HG23 VAL A 97 -2.005 -20.719 -10.449 1.00 14.12 H new ATOM 1517 N TYR A 98 -4.152 -20.168 -9.254 1.00 72.40 N ATOM 1518 CA TYR A 98 -4.691 -21.357 -8.604 1.00 72.25 C ATOM 1519 C TYR A 98 -3.655 -22.476 -8.571 1.00 31.33 C ATOM 1520 O TYR A 98 -3.026 -22.724 -7.543 1.00 14.30 O ATOM 1521 CB TYR A 98 -5.950 -21.834 -9.330 1.00 4.12 C ATOM 1522 CG TYR A 98 -6.517 -23.122 -8.776 1.00 15.11 C ATOM 1523 CD1 TYR A 98 -6.961 -23.200 -7.461 1.00 44.55 C ATOM 1524 CD2 TYR A 98 -6.610 -24.260 -9.567 1.00 63.20 C ATOM 1525 CE1 TYR A 98 -7.479 -24.375 -6.951 1.00 43.54 C ATOM 1526 CE2 TYR A 98 -7.128 -25.439 -9.065 1.00 51.31 C ATOM 1527 CZ TYR A 98 -7.560 -25.491 -7.756 1.00 51.25 C ATOM 1528 OH TYR A 98 -8.077 -26.662 -7.252 1.00 72.33 O ATOM 0 H TYR A 98 -4.593 -19.937 -10.144 1.00 72.40 H new ATOM 0 HA TYR A 98 -4.949 -21.094 -7.578 1.00 72.25 H new ATOM 0 HB2 TYR A 98 -6.711 -21.056 -9.269 1.00 4.12 H new ATOM 0 HB3 TYR A 98 -5.720 -21.973 -10.386 1.00 4.12 H new ATOM 0 HD1 TYR A 98 -6.900 -22.328 -6.827 1.00 44.55 H new ATOM 0 HD2 TYR A 98 -6.272 -24.223 -10.592 1.00 63.20 H new ATOM 0 HE1 TYR A 98 -7.819 -24.419 -5.927 1.00 43.54 H new ATOM 0 HE2 TYR A 98 -7.194 -26.314 -9.694 1.00 51.31 H new ATOM 0 HH TYR A 98 -8.065 -27.351 -7.948 1.00 72.33 H new ATOM 1538 N GLN A 99 -3.483 -23.148 -9.705 1.00 5.05 N ATOM 1539 CA GLN A 99 -2.523 -24.241 -9.806 1.00 24.15 C ATOM 1540 C GLN A 99 -1.100 -23.739 -9.579 1.00 1.44 C ATOM 1541 O GLN A 99 -0.764 -22.612 -9.942 1.00 51.13 O ATOM 1542 CB GLN A 99 -2.626 -24.914 -11.176 1.00 2.20 C ATOM 1543 CG GLN A 99 -1.914 -26.254 -11.250 1.00 30.43 C ATOM 1544 CD GLN A 99 -2.686 -27.364 -10.563 1.00 73.44 C ATOM 1545 OE1 GLN A 99 -3.425 -28.112 -11.204 1.00 64.41 O ATOM 1546 NE2 GLN A 99 -2.521 -27.476 -9.250 1.00 51.21 N ATOM 0 H GLN A 99 -3.995 -22.955 -10.566 1.00 5.05 H new ATOM 0 HA GLN A 99 -2.759 -24.971 -9.032 1.00 24.15 H new ATOM 0 HB2 GLN A 99 -3.678 -25.057 -11.423 1.00 2.20 H new ATOM 0 HB3 GLN A 99 -2.209 -24.248 -11.931 1.00 2.20 H new ATOM 0 HG2 GLN A 99 -1.756 -26.520 -12.295 1.00 30.43 H new ATOM 0 HG3 GLN A 99 -0.929 -26.164 -10.791 1.00 30.43 H new ATOM 0 HE21 GLN A 99 -1.899 -26.835 -8.758 1.00 51.21 H new ATOM 0 HE22 GLN A 99 -3.016 -28.203 -8.734 1.00 51.21 H new ATOM 1555 N ILE A 100 -0.269 -24.583 -8.976 1.00 71.01 N ATOM 1556 CA ILE A 100 1.116 -24.225 -8.701 1.00 43.32 C ATOM 1557 C ILE A 100 2.079 -25.201 -9.367 1.00 44.01 C ATOM 1558 O ILE A 100 1.720 -26.327 -9.713 1.00 20.11 O ATOM 1559 CB ILE A 100 1.400 -24.193 -7.188 1.00 43.31 C ATOM 1560 CG1 ILE A 100 0.320 -24.964 -6.428 1.00 31.54 C ATOM 1561 CG2 ILE A 100 1.480 -22.756 -6.694 1.00 3.21 C ATOM 1562 CD1 ILE A 100 0.572 -25.048 -4.939 1.00 15.23 C ATOM 0 H ILE A 100 -0.532 -25.520 -8.669 1.00 71.01 H new ATOM 0 HA ILE A 100 1.271 -23.228 -9.112 1.00 43.32 H new ATOM 0 HB ILE A 100 2.361 -24.674 -7.003 1.00 43.31 H new ATOM 0 HG12 ILE A 100 -0.644 -24.486 -6.599 1.00 31.54 H new ATOM 0 HG13 ILE A 100 0.252 -25.973 -6.834 1.00 31.54 H new ATOM 0 HG21 ILE A 100 1.681 -22.750 -5.623 1.00 3.21 H new ATOM 0 HG22 ILE A 100 2.283 -22.236 -7.217 1.00 3.21 H new ATOM 0 HG23 ILE A 100 0.534 -22.251 -6.888 1.00 3.21 H new ATOM 0 HD11 ILE A 100 -0.234 -25.608 -4.465 1.00 15.23 H new ATOM 0 HD12 ILE A 100 1.521 -25.553 -4.758 1.00 15.23 H new ATOM 0 HD13 ILE A 100 0.611 -24.043 -4.519 1.00 15.23 H new ATOM 1574 N PRO A 101 3.334 -24.762 -9.552 1.00 33.31 N ATOM 1575 CA PRO A 101 4.375 -25.584 -10.176 1.00 44.31 C ATOM 1576 C PRO A 101 4.807 -26.745 -9.288 1.00 24.31 C ATOM 1577 O PRO A 101 5.275 -27.773 -9.777 1.00 5.41 O ATOM 1578 CB PRO A 101 5.532 -24.601 -10.372 1.00 55.10 C ATOM 1579 CG PRO A 101 5.320 -23.555 -9.331 1.00 44.21 C ATOM 1580 CD PRO A 101 3.831 -23.432 -9.165 1.00 51.30 C ATOM 0 HA PRO A 101 4.029 -26.047 -11.100 1.00 44.31 H new ATOM 0 HB2 PRO A 101 6.496 -25.094 -10.247 1.00 55.10 H new ATOM 0 HB3 PRO A 101 5.521 -24.171 -11.374 1.00 55.10 H new ATOM 0 HG2 PRO A 101 5.795 -23.837 -8.392 1.00 44.21 H new ATOM 0 HG3 PRO A 101 5.758 -22.605 -9.637 1.00 44.21 H new ATOM 0 HD2 PRO A 101 3.560 -23.185 -8.139 1.00 51.30 H new ATOM 0 HD3 PRO A 101 3.419 -22.648 -9.801 1.00 51.30 H new