USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 69 SER OG : rot -85:sc= 0.749 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 GLN : amide:sc= -0.0419 K(o=-0.042,f=-2.1!) USER MOD Set 2.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.232 (180deg=-0.243) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.74) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 149:sc= -3.01! (180deg=-5.17!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.6!) USER MOD Single : A 53 THR OG1 : rot -170:sc= 0.258 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.326 F(o=-1.8,f=-0.33) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -161:sc= -1.34 (180deg=-1.96) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.075 -2.428 -19.047 1.00 0.00 N ATOM 47 CA ILE A 4 7.331 -3.438 -18.285 1.00 0.00 C ATOM 48 C ILE A 4 5.905 -2.950 -18.011 1.00 0.00 C ATOM 49 O ILE A 4 4.985 -3.752 -17.861 1.00 0.00 O ATOM 50 CB ILE A 4 8.029 -3.783 -16.954 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.756 -2.692 -15.895 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.538 -3.945 -17.177 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.644 -1.463 -16.128 1.00 0.00 C ATOM 0 HA ILE A 4 7.298 -4.344 -18.890 1.00 0.00 H new ATOM 0 HB ILE A 4 7.624 -4.725 -16.585 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.707 -2.399 -15.932 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.940 -3.094 -14.899 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.022 -4.188 -16.231 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.716 -4.748 -17.893 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.950 -3.014 -17.566 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.431 -0.711 -15.368 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.692 -1.755 -16.066 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.440 -1.049 -17.116 1.00 0.00 H new ATOM 65 N TYR A 5 5.737 -1.621 -17.965 1.00 0.00 N ATOM 66 CA TYR A 5 4.420 -1.025 -17.730 1.00 0.00 C ATOM 67 C TYR A 5 3.528 -1.257 -18.945 1.00 0.00 C ATOM 68 O TYR A 5 2.333 -1.525 -18.813 1.00 0.00 O ATOM 69 CB TYR A 5 4.540 0.485 -17.486 1.00 0.00 C ATOM 70 CG TYR A 5 5.598 0.752 -16.442 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.488 0.175 -15.173 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.692 1.571 -16.747 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.471 0.417 -14.207 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.675 1.813 -15.781 1.00 0.00 C ATOM 75 CZ TYR A 5 7.564 1.236 -14.511 1.00 0.00 C ATOM 76 OH TYR A 5 8.535 1.474 -13.560 1.00 0.00 O ATOM 0 H TYR A 5 6.491 -0.945 -18.087 1.00 0.00 H new ATOM 0 HA TYR A 5 3.986 -1.495 -16.848 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.797 0.994 -18.415 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.582 0.887 -17.157 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.644 -0.457 -14.939 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.777 2.016 -17.727 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.386 -0.028 -13.227 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.519 2.445 -16.015 1.00 0.00 H new ATOM 0 HH TYR A 5 9.223 2.062 -13.935 1.00 0.00 H new ATOM 86 N LYS A 6 4.138 -1.166 -20.130 1.00 0.00 N ATOM 87 CA LYS A 6 3.408 -1.385 -21.384 1.00 0.00 C ATOM 88 C LYS A 6 3.144 -2.875 -21.562 1.00 0.00 C ATOM 89 O LYS A 6 2.060 -3.286 -21.980 1.00 0.00 O ATOM 90 CB LYS A 6 4.210 -0.871 -22.591 1.00 0.00 C ATOM 91 CG LYS A 6 4.803 0.517 -22.296 1.00 0.00 C ATOM 92 CD LYS A 6 3.746 1.410 -21.637 1.00 0.00 C ATOM 93 CE LYS A 6 4.412 2.676 -21.092 1.00 0.00 C ATOM 94 NZ LYS A 6 3.408 3.778 -21.018 1.00 0.00 N ATOM 0 H LYS A 6 5.127 -0.944 -20.249 1.00 0.00 H new ATOM 0 HA LYS A 6 2.468 -0.836 -21.331 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.011 -1.572 -22.827 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.564 -0.818 -23.467 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.669 0.420 -21.641 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.153 0.976 -23.221 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.976 1.675 -22.362 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.252 0.870 -20.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.829 2.483 -20.103 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.241 2.969 -21.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.862 4.637 -20.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.031 3.968 -21.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.631 3.498 -20.386 1.00 0.00 H new ATOM 108 N ALA A 7 4.154 -3.677 -21.214 1.00 0.00 N ATOM 109 CA ALA A 7 4.042 -5.132 -21.306 1.00 0.00 C ATOM 110 C ALA A 7 3.011 -5.654 -20.301 1.00 0.00 C ATOM 111 O ALA A 7 2.377 -6.682 -20.530 1.00 0.00 O ATOM 112 CB ALA A 7 5.395 -5.793 -21.024 1.00 0.00 C ATOM 0 H ALA A 7 5.054 -3.344 -20.868 1.00 0.00 H new ATOM 0 HA ALA A 7 3.721 -5.381 -22.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.293 -6.876 -21.097 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.128 -5.448 -21.753 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.728 -5.526 -20.021 1.00 0.00 H new ATOM 118 N ALA A 8 2.846 -4.927 -19.187 1.00 0.00 N ATOM 119 CA ALA A 8 1.884 -5.319 -18.158 1.00 0.00 C ATOM 120 C ALA A 8 0.465 -4.917 -18.561 1.00 0.00 C ATOM 121 O ALA A 8 -0.488 -5.642 -18.289 1.00 0.00 O ATOM 122 CB ALA A 8 2.224 -4.657 -16.823 1.00 0.00 C ATOM 0 H ALA A 8 3.363 -4.072 -18.980 1.00 0.00 H new ATOM 0 HA ALA A 8 1.938 -6.403 -18.052 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.497 -4.961 -16.070 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.222 -4.964 -16.508 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.197 -3.573 -16.937 1.00 0.00 H new ATOM 128 N VAL A 9 0.336 -3.751 -19.210 1.00 0.00 N ATOM 129 CA VAL A 9 -0.977 -3.260 -19.644 1.00 0.00 C ATOM 130 C VAL A 9 -1.694 -4.317 -20.490 1.00 0.00 C ATOM 131 O VAL A 9 -2.848 -4.659 -20.227 1.00 0.00 O ATOM 132 CB VAL A 9 -0.818 -1.964 -20.459 1.00 0.00 C ATOM 133 CG1 VAL A 9 -2.085 -1.694 -21.277 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.572 -0.789 -19.506 1.00 0.00 C ATOM 0 H VAL A 9 1.116 -3.137 -19.443 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.575 -3.054 -18.757 1.00 0.00 H new ATOM 0 HB VAL A 9 0.028 -2.075 -21.137 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.960 -0.775 -21.849 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.261 -2.525 -21.960 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.937 -1.590 -20.605 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.459 0.129 -20.082 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.418 -0.689 -18.826 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.336 -0.971 -18.931 1.00 0.00 H new ATOM 144 N GLU A 10 -0.994 -4.831 -21.505 1.00 0.00 N ATOM 145 CA GLU A 10 -1.560 -5.851 -22.387 1.00 0.00 C ATOM 146 C GLU A 10 -1.848 -7.154 -21.625 1.00 0.00 C ATOM 147 O GLU A 10 -2.655 -7.972 -22.072 1.00 0.00 O ATOM 148 CB GLU A 10 -0.601 -6.141 -23.548 1.00 0.00 C ATOM 149 CG GLU A 10 0.679 -6.795 -23.018 1.00 0.00 C ATOM 150 CD GLU A 10 1.701 -6.909 -24.143 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.448 -5.963 -24.337 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.723 -7.940 -24.794 1.00 0.00 O ATOM 0 H GLU A 10 -0.038 -4.558 -21.734 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.501 -5.464 -22.777 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.082 -6.798 -24.273 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.357 -5.215 -24.070 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.089 -6.203 -22.200 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.455 -7.783 -22.616 1.00 0.00 H new ATOM 159 N GLN A 11 -1.187 -7.339 -20.472 1.00 0.00 N ATOM 160 CA GLN A 11 -1.394 -8.546 -19.672 1.00 0.00 C ATOM 161 C GLN A 11 -2.617 -8.387 -18.775 1.00 0.00 C ATOM 162 O GLN A 11 -3.446 -9.294 -18.668 1.00 0.00 O ATOM 163 CB GLN A 11 -0.167 -8.839 -18.800 1.00 0.00 C ATOM 164 CG GLN A 11 1.033 -9.157 -19.693 1.00 0.00 C ATOM 165 CD GLN A 11 1.017 -10.636 -20.067 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.511 -11.477 -19.317 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.471 -11.009 -21.194 1.00 0.00 N ATOM 0 H GLN A 11 -0.516 -6.678 -20.081 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.551 -9.378 -20.359 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.055 -7.980 -18.167 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.372 -9.679 -18.136 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.001 -8.544 -20.594 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.960 -8.913 -19.174 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.061 -10.313 -21.817 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.455 -11.996 -21.451 1.00 0.00 H new ATOM 176 N LEU A 12 -2.715 -7.222 -18.135 1.00 0.00 N ATOM 177 CA LEU A 12 -3.837 -6.934 -17.243 1.00 0.00 C ATOM 178 C LEU A 12 -5.023 -6.389 -18.042 1.00 0.00 C ATOM 179 O LEU A 12 -4.963 -6.272 -19.269 1.00 0.00 O ATOM 180 CB LEU A 12 -3.440 -5.904 -16.174 1.00 0.00 C ATOM 181 CG LEU A 12 -2.004 -5.998 -15.631 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.931 -5.306 -14.268 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.591 -7.468 -15.476 1.00 0.00 C ATOM 0 H LEU A 12 -2.035 -6.466 -18.217 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.119 -7.866 -16.753 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.583 -4.907 -16.591 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.129 -6.000 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.327 -5.510 -16.332 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.914 -5.371 -13.881 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.212 -4.258 -14.376 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.615 -5.795 -13.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.573 -7.521 -15.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.268 -7.965 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.639 -7.963 -16.446 1.00 0.00 H new ATOM 195 N THR A 13 -6.103 -6.058 -17.332 1.00 0.00 N ATOM 196 CA THR A 13 -7.303 -5.523 -17.981 1.00 0.00 C ATOM 197 C THR A 13 -7.665 -4.157 -17.401 1.00 0.00 C ATOM 198 O THR A 13 -7.167 -3.761 -16.345 1.00 0.00 O ATOM 199 CB THR A 13 -8.499 -6.471 -17.790 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.334 -7.224 -16.594 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.598 -7.420 -18.984 1.00 0.00 C ATOM 0 H THR A 13 -6.173 -6.149 -16.318 1.00 0.00 H new ATOM 0 HA THR A 13 -7.083 -5.425 -19.044 1.00 0.00 H new ATOM 0 HB THR A 13 -9.413 -5.882 -17.718 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.100 -7.824 -16.477 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.446 -8.091 -18.846 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.737 -6.842 -19.898 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.682 -8.005 -19.061 1.00 0.00 H new ATOM 209 N ASP A 14 -8.556 -3.452 -18.103 1.00 0.00 N ATOM 210 CA ASP A 14 -9.008 -2.133 -17.652 1.00 0.00 C ATOM 211 C ASP A 14 -9.705 -2.251 -16.295 1.00 0.00 C ATOM 212 O ASP A 14 -9.639 -1.338 -15.471 1.00 0.00 O ATOM 213 CB ASP A 14 -9.988 -1.525 -18.661 1.00 0.00 C ATOM 214 CG ASP A 14 -9.219 -1.008 -19.874 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.805 0.139 -19.844 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.056 -1.769 -20.815 1.00 0.00 O ATOM 0 H ASP A 14 -8.975 -3.768 -18.977 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.134 -1.488 -17.564 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.717 -2.274 -18.972 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.545 -0.711 -18.197 1.00 0.00 H new ATOM 221 N GLU A 15 -10.368 -3.396 -16.077 1.00 0.00 N ATOM 222 CA GLU A 15 -11.075 -3.647 -14.818 1.00 0.00 C ATOM 223 C GLU A 15 -10.114 -3.580 -13.628 1.00 0.00 C ATOM 224 O GLU A 15 -10.459 -3.046 -12.576 1.00 0.00 O ATOM 225 CB GLU A 15 -11.740 -5.028 -14.841 1.00 0.00 C ATOM 226 CG GLU A 15 -13.052 -4.952 -15.628 1.00 0.00 C ATOM 227 CD GLU A 15 -14.025 -6.007 -15.105 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.737 -5.710 -14.159 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.042 -7.094 -15.658 1.00 0.00 O ATOM 0 H GLU A 15 -10.428 -4.157 -16.753 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.836 -2.875 -14.709 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.071 -5.757 -15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.933 -5.367 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.490 -3.959 -15.530 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.861 -5.113 -16.689 1.00 0.00 H new ATOM 236 N GLN A 16 -8.901 -4.122 -13.810 1.00 0.00 N ATOM 237 CA GLN A 16 -7.893 -4.109 -12.742 1.00 0.00 C ATOM 238 C GLN A 16 -7.581 -2.674 -12.324 1.00 0.00 C ATOM 239 O GLN A 16 -7.573 -2.352 -11.136 1.00 0.00 O ATOM 240 CB GLN A 16 -6.598 -4.789 -13.204 1.00 0.00 C ATOM 241 CG GLN A 16 -6.781 -6.310 -13.194 1.00 0.00 C ATOM 242 CD GLN A 16 -6.407 -6.865 -11.822 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.014 -6.507 -10.812 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.432 -7.728 -11.723 1.00 0.00 N ATOM 0 H GLN A 16 -8.597 -4.569 -14.675 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.301 -4.658 -11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.336 -4.451 -14.207 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.774 -4.508 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.815 -6.563 -13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.158 -6.766 -13.963 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.928 -8.026 -12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.175 -8.104 -10.811 1.00 0.00 H new ATOM 253 N LYS A 17 -7.344 -1.812 -13.318 1.00 0.00 N ATOM 254 CA LYS A 17 -7.054 -0.404 -13.046 1.00 0.00 C ATOM 255 C LYS A 17 -8.301 0.303 -12.507 1.00 0.00 C ATOM 256 O LYS A 17 -8.199 1.245 -11.722 1.00 0.00 O ATOM 257 CB LYS A 17 -6.570 0.309 -14.313 1.00 0.00 C ATOM 258 CG LYS A 17 -5.037 0.333 -14.332 1.00 0.00 C ATOM 259 CD LYS A 17 -4.502 -1.022 -14.814 1.00 0.00 C ATOM 260 CE LYS A 17 -4.441 -1.039 -16.344 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.148 -2.422 -16.819 1.00 0.00 N ATOM 0 H LYS A 17 -7.347 -2.062 -14.307 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.264 -0.364 -12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.947 -0.203 -15.198 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.961 1.326 -14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.685 1.128 -14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.655 0.551 -13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.510 -1.200 -14.399 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.146 -1.826 -14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.388 -0.694 -16.759 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.670 -0.353 -16.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.956 -2.405 -17.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.316 -2.793 -16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.967 -3.035 -16.631 1.00 0.00 H new ATOM 275 N ASN A 18 -9.482 -0.178 -12.926 1.00 0.00 N ATOM 276 CA ASN A 18 -10.747 0.396 -12.464 1.00 0.00 C ATOM 277 C ASN A 18 -10.911 0.143 -10.965 1.00 0.00 C ATOM 278 O ASN A 18 -11.263 1.047 -10.206 1.00 0.00 O ATOM 279 CB ASN A 18 -11.932 -0.225 -13.214 1.00 0.00 C ATOM 280 CG ASN A 18 -12.875 0.876 -13.686 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.914 1.117 -13.070 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.575 1.569 -14.752 1.00 0.00 N ATOM 0 H ASN A 18 -9.583 -0.956 -13.578 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.729 1.468 -12.660 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.573 -0.801 -14.067 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.464 -0.918 -12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.201 2.308 -15.073 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.715 1.371 -15.264 1.00 0.00 H new ATOM 289 N GLU A 19 -10.625 -1.099 -10.549 1.00 0.00 N ATOM 290 CA GLU A 19 -10.713 -1.470 -9.134 1.00 0.00 C ATOM 291 C GLU A 19 -9.667 -0.691 -8.343 1.00 0.00 C ATOM 292 O GLU A 19 -9.944 -0.177 -7.261 1.00 0.00 O ATOM 293 CB GLU A 19 -10.462 -2.970 -8.940 1.00 0.00 C ATOM 294 CG GLU A 19 -11.486 -3.778 -9.741 1.00 0.00 C ATOM 295 CD GLU A 19 -11.989 -4.945 -8.898 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.314 -5.963 -8.866 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.044 -4.808 -8.298 1.00 0.00 O ATOM 0 H GLU A 19 -10.334 -1.856 -11.168 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.717 -1.233 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.452 -3.223 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.531 -3.225 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.321 -3.140 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.033 -4.149 -10.660 1.00 0.00 H new ATOM 304 N PHE A 20 -8.461 -0.605 -8.917 1.00 0.00 N ATOM 305 CA PHE A 20 -7.358 0.125 -8.288 1.00 0.00 C ATOM 306 C PHE A 20 -7.730 1.598 -8.107 1.00 0.00 C ATOM 307 O PHE A 20 -7.433 2.200 -7.074 1.00 0.00 O ATOM 308 CB PHE A 20 -6.094 0.033 -9.153 1.00 0.00 C ATOM 309 CG PHE A 20 -5.329 -1.238 -8.842 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.982 -2.354 -8.299 1.00 0.00 C ATOM 311 CD2 PHE A 20 -3.956 -1.296 -9.108 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.261 -3.520 -8.022 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.237 -2.461 -8.832 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.889 -3.575 -8.290 1.00 0.00 C ATOM 0 H PHE A 20 -8.226 -1.031 -9.813 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.166 -0.325 -7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.366 0.052 -10.208 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.459 0.900 -8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.042 -2.313 -8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.452 -0.438 -9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.764 -4.378 -7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.177 -2.503 -9.037 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.333 -4.477 -8.079 1.00 0.00 H new ATOM 324 N LYS A 21 -8.394 2.165 -9.123 1.00 0.00 N ATOM 325 CA LYS A 21 -8.818 3.567 -9.071 1.00 0.00 C ATOM 326 C LYS A 21 -9.861 3.763 -7.971 1.00 0.00 C ATOM 327 O LYS A 21 -9.808 4.738 -7.224 1.00 0.00 O ATOM 328 CB LYS A 21 -9.411 4.005 -10.418 1.00 0.00 C ATOM 329 CG LYS A 21 -9.636 5.522 -10.420 1.00 0.00 C ATOM 330 CD LYS A 21 -8.303 6.244 -10.205 1.00 0.00 C ATOM 331 CE LYS A 21 -8.445 7.713 -10.611 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.213 8.461 -10.227 1.00 0.00 N ATOM 0 H LYS A 21 -8.647 1.678 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.942 4.178 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.738 3.727 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.354 3.488 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.079 5.832 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.339 5.796 -9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.003 6.172 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.520 5.767 -10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.608 7.789 -11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.316 8.152 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.312 9.459 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.076 8.399 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.391 8.047 -10.711 1.00 0.00 H new ATOM 346 N ALA A 22 -10.799 2.813 -7.872 1.00 0.00 N ATOM 347 CA ALA A 22 -11.840 2.882 -6.845 1.00 0.00 C ATOM 348 C ALA A 22 -11.215 2.718 -5.459 1.00 0.00 C ATOM 349 O ALA A 22 -11.532 3.462 -4.532 1.00 0.00 O ATOM 350 CB ALA A 22 -12.886 1.785 -7.058 1.00 0.00 C ATOM 0 H ALA A 22 -10.857 1.998 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.327 3.854 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.650 1.855 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.349 1.909 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.405 0.808 -7.006 1.00 0.00 H new ATOM 356 N ALA A 23 -10.304 1.743 -5.343 1.00 0.00 N ATOM 357 CA ALA A 23 -9.605 1.483 -4.080 1.00 0.00 C ATOM 358 C ALA A 23 -8.764 2.698 -3.670 1.00 0.00 C ATOM 359 O ALA A 23 -8.488 2.906 -2.486 1.00 0.00 O ATOM 360 CB ALA A 23 -8.687 0.263 -4.217 1.00 0.00 C ATOM 0 H ALA A 23 -10.035 1.123 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.356 1.288 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.176 0.084 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.282 -0.612 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.950 0.448 -4.998 1.00 0.00 H new ATOM 366 N PHE A 24 -8.367 3.499 -4.664 1.00 0.00 N ATOM 367 CA PHE A 24 -7.571 4.695 -4.411 1.00 0.00 C ATOM 368 C PHE A 24 -8.485 5.860 -4.020 1.00 0.00 C ATOM 369 O PHE A 24 -8.314 6.466 -2.964 1.00 0.00 O ATOM 370 CB PHE A 24 -6.782 5.074 -5.674 1.00 0.00 C ATOM 371 CG PHE A 24 -5.550 5.867 -5.307 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.613 7.264 -5.228 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.339 5.209 -5.058 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.470 8.000 -4.897 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.196 5.945 -4.729 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.262 7.341 -4.646 1.00 0.00 C ATOM 0 H PHE A 24 -8.585 3.338 -5.647 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.878 4.488 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.494 4.172 -6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.413 5.659 -6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.545 7.774 -5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.288 4.132 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.520 9.077 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.262 5.436 -4.539 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.380 7.909 -4.388 1.00 0.00 H new ATOM 386 N ASP A 25 -9.452 6.159 -4.897 1.00 0.00 N ATOM 387 CA ASP A 25 -10.401 7.261 -4.675 1.00 0.00 C ATOM 388 C ASP A 25 -11.079 7.188 -3.302 1.00 0.00 C ATOM 389 O ASP A 25 -11.242 8.215 -2.639 1.00 0.00 O ATOM 390 CB ASP A 25 -11.483 7.257 -5.761 1.00 0.00 C ATOM 391 CG ASP A 25 -12.145 8.631 -5.829 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.634 9.480 -6.541 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.154 8.815 -5.167 1.00 0.00 O ATOM 0 H ASP A 25 -9.599 5.652 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.821 8.183 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.043 7.006 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.229 6.493 -5.542 1.00 0.00 H new ATOM 398 N ILE A 26 -11.484 5.983 -2.884 1.00 0.00 N ATOM 399 CA ILE A 26 -12.154 5.820 -1.583 1.00 0.00 C ATOM 400 C ILE A 26 -11.298 6.397 -0.448 1.00 0.00 C ATOM 401 O ILE A 26 -11.824 6.978 0.503 1.00 0.00 O ATOM 402 CB ILE A 26 -12.456 4.343 -1.290 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.168 3.515 -1.404 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.494 3.828 -2.291 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.467 2.043 -1.114 1.00 0.00 C ATOM 0 H ILE A 26 -11.364 5.120 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.095 6.367 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.850 4.248 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.746 3.619 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.422 3.889 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.710 2.780 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.410 4.412 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.103 3.925 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.548 1.462 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.869 1.945 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.197 1.672 -1.833 1.00 0.00 H new ATOM 417 N PHE A 27 -9.976 6.243 -0.569 1.00 0.00 N ATOM 418 CA PHE A 27 -9.053 6.761 0.443 1.00 0.00 C ATOM 419 C PHE A 27 -8.731 8.236 0.179 1.00 0.00 C ATOM 420 O PHE A 27 -8.459 8.995 1.112 1.00 0.00 O ATOM 421 CB PHE A 27 -7.750 5.954 0.449 1.00 0.00 C ATOM 422 CG PHE A 27 -7.895 4.776 1.385 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.436 3.573 0.917 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.492 4.887 2.722 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.574 2.482 1.782 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.631 3.794 3.587 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.173 2.593 3.118 1.00 0.00 C ATOM 0 H PHE A 27 -9.525 5.768 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.539 6.668 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.520 5.606 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.920 6.585 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.747 3.487 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.075 5.814 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.990 1.554 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.319 3.879 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.282 1.752 3.787 1.00 0.00 H new ATOM 437 N ILE A 28 -8.766 8.637 -1.100 1.00 0.00 N ATOM 438 CA ILE A 28 -8.478 10.028 -1.475 1.00 0.00 C ATOM 439 C ILE A 28 -9.771 10.853 -1.532 1.00 0.00 C ATOM 440 O ILE A 28 -9.945 11.709 -2.403 1.00 0.00 O ATOM 441 CB ILE A 28 -7.776 10.092 -2.847 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.677 9.027 -2.946 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.136 11.466 -3.050 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.920 8.906 -1.618 1.00 0.00 C ATOM 0 H ILE A 28 -8.989 8.025 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.817 10.445 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.529 9.912 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.118 8.065 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.982 9.287 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.644 11.498 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.906 12.236 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.401 11.645 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.145 8.145 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.461 9.864 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.615 8.623 -0.828 1.00 0.00 H new ATOM 456 N GLN A 29 -10.672 10.594 -0.580 1.00 0.00 N ATOM 457 CA GLN A 29 -11.940 11.326 -0.520 1.00 0.00 C ATOM 458 C GLN A 29 -11.721 12.725 0.071 1.00 0.00 C ATOM 459 O GLN A 29 -12.430 13.670 -0.275 1.00 0.00 O ATOM 460 CB GLN A 29 -12.981 10.569 0.323 1.00 0.00 C ATOM 461 CG GLN A 29 -12.385 10.171 1.681 1.00 0.00 C ATOM 462 CD GLN A 29 -13.426 10.361 2.784 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.133 11.370 2.816 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.557 9.447 3.706 1.00 0.00 N ATOM 0 H GLN A 29 -10.550 9.893 0.151 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.318 11.417 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.860 11.195 0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.312 9.678 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.058 9.132 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.504 10.777 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.973 8.611 3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.243 9.569 4.451 1.00 0.00 H new ATOM 473 N ASP A 30 -10.722 12.844 0.956 1.00 0.00 N ATOM 474 CA ASP A 30 -10.405 14.132 1.579 1.00 0.00 C ATOM 475 C ASP A 30 -8.901 14.247 1.872 1.00 0.00 C ATOM 476 O ASP A 30 -8.488 14.884 2.846 1.00 0.00 O ATOM 477 CB ASP A 30 -11.207 14.310 2.880 1.00 0.00 C ATOM 478 CG ASP A 30 -10.752 13.302 3.940 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.056 12.132 3.789 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.114 13.720 4.892 1.00 0.00 O ATOM 0 H ASP A 30 -10.126 12.071 1.253 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.681 14.921 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.077 15.325 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.270 14.178 2.678 1.00 0.00 H new ATOM 485 N ALA A 31 -8.087 13.625 1.012 1.00 0.00 N ATOM 486 CA ALA A 31 -6.631 13.661 1.178 1.00 0.00 C ATOM 487 C ALA A 31 -6.094 15.082 1.007 1.00 0.00 C ATOM 488 O ALA A 31 -6.681 15.907 0.302 1.00 0.00 O ATOM 489 CB ALA A 31 -5.953 12.749 0.154 1.00 0.00 C ATOM 0 H ALA A 31 -8.408 13.096 0.202 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.407 13.313 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.872 12.788 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.300 11.725 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.203 13.083 -0.853 1.00 0.00 H new ATOM 495 N GLU A 32 -4.964 15.350 1.663 1.00 0.00 N ATOM 496 CA GLU A 32 -4.334 16.673 1.590 1.00 0.00 C ATOM 497 C GLU A 32 -3.629 16.861 0.247 1.00 0.00 C ATOM 498 O GLU A 32 -3.798 17.885 -0.418 1.00 0.00 O ATOM 499 CB GLU A 32 -3.308 16.845 2.716 1.00 0.00 C ATOM 500 CG GLU A 32 -4.014 16.781 4.074 1.00 0.00 C ATOM 501 CD GLU A 32 -3.118 17.396 5.146 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.275 16.683 5.667 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.289 18.570 5.433 1.00 0.00 O ATOM 0 H GLU A 32 -4.468 14.676 2.247 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.120 17.420 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.550 16.064 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.792 17.799 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.963 17.316 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.244 15.746 4.327 1.00 0.00 H new ATOM 510 N ASP A 33 -2.837 15.858 -0.140 1.00 0.00 N ATOM 511 CA ASP A 33 -2.101 15.908 -1.405 1.00 0.00 C ATOM 512 C ASP A 33 -2.833 15.126 -2.500 1.00 0.00 C ATOM 513 O ASP A 33 -2.742 15.463 -3.682 1.00 0.00 O ATOM 514 CB ASP A 33 -0.696 15.320 -1.226 1.00 0.00 C ATOM 515 CG ASP A 33 0.194 15.742 -2.393 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.723 16.841 -2.343 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.334 14.960 -3.321 1.00 0.00 O ATOM 0 H ASP A 33 -2.690 15.006 0.401 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.029 16.954 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.265 15.663 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.751 14.233 -1.173 1.00 0.00 H new ATOM 522 N GLY A 34 -3.556 14.076 -2.094 1.00 0.00 N ATOM 523 CA GLY A 34 -4.296 13.245 -3.045 1.00 0.00 C ATOM 524 C GLY A 34 -3.644 11.869 -3.192 1.00 0.00 C ATOM 525 O GLY A 34 -3.593 11.309 -4.289 1.00 0.00 O ATOM 0 H GLY A 34 -3.643 13.785 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.326 13.129 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.332 13.740 -4.015 1.00 0.00 H new ATOM 529 N CYS A 35 -3.145 11.336 -2.072 1.00 0.00 N ATOM 530 CA CYS A 35 -2.490 10.028 -2.070 1.00 0.00 C ATOM 531 C CYS A 35 -2.847 9.262 -0.794 1.00 0.00 C ATOM 532 O CYS A 35 -3.440 9.821 0.133 1.00 0.00 O ATOM 533 CB CYS A 35 -0.969 10.189 -2.140 1.00 0.00 C ATOM 534 SG CYS A 35 -0.539 11.501 -3.311 1.00 0.00 S ATOM 0 H CYS A 35 -3.183 11.790 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.837 9.475 -2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.574 10.428 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.509 9.250 -2.448 1.00 0.00 H new ATOM 0 HG CYS A 35 0.754 11.631 -3.362 1.00 0.00 H new ATOM 540 N ILE A 36 -2.477 7.980 -0.750 1.00 0.00 N ATOM 541 CA ILE A 36 -2.764 7.156 0.425 1.00 0.00 C ATOM 542 C ILE A 36 -1.512 7.021 1.295 1.00 0.00 C ATOM 543 O ILE A 36 -0.433 7.478 0.921 1.00 0.00 O ATOM 544 CB ILE A 36 -3.260 5.761 0.013 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.206 5.061 -0.853 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.564 5.890 -0.780 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.584 3.911 -0.063 1.00 0.00 C ATOM 0 H ILE A 36 -1.986 7.496 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.551 7.649 0.997 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.435 5.170 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.663 4.683 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.435 5.771 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.913 4.899 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.320 6.374 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.389 6.489 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.834 3.412 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.113 4.302 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.360 3.198 0.213 1.00 0.00 H new ATOM 559 N SER A 37 -1.668 6.394 2.460 1.00 0.00 N ATOM 560 CA SER A 37 -0.542 6.207 3.373 1.00 0.00 C ATOM 561 C SER A 37 0.105 4.845 3.153 1.00 0.00 C ATOM 562 O SER A 37 -0.549 3.888 2.733 1.00 0.00 O ATOM 563 CB SER A 37 -1.002 6.312 4.830 1.00 0.00 C ATOM 564 OG SER A 37 0.111 6.638 5.652 1.00 0.00 O ATOM 0 H SER A 37 -2.553 6.011 2.791 1.00 0.00 H new ATOM 0 HA SER A 37 0.186 6.992 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.775 7.075 4.925 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.443 5.369 5.153 1.00 0.00 H new ATOM 0 HG SER A 37 -0.181 6.708 6.585 1.00 0.00 H new ATOM 570 N THR A 38 1.398 4.768 3.461 1.00 0.00 N ATOM 571 CA THR A 38 2.139 3.512 3.315 1.00 0.00 C ATOM 572 C THR A 38 1.517 2.430 4.203 1.00 0.00 C ATOM 573 O THR A 38 1.281 1.306 3.763 1.00 0.00 O ATOM 574 CB THR A 38 3.615 3.699 3.700 1.00 0.00 C ATOM 575 OG1 THR A 38 3.704 4.190 5.031 1.00 0.00 O ATOM 576 CG2 THR A 38 4.280 4.694 2.745 1.00 0.00 C ATOM 0 H THR A 38 1.952 5.550 3.810 1.00 0.00 H new ATOM 0 HA THR A 38 2.084 3.206 2.270 1.00 0.00 H new ATOM 0 HB THR A 38 4.125 2.738 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.646 4.307 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.326 4.822 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.220 4.315 1.725 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.768 5.654 2.806 1.00 0.00 H new ATOM 584 N LYS A 39 1.239 2.795 5.458 1.00 0.00 N ATOM 585 CA LYS A 39 0.629 1.861 6.410 1.00 0.00 C ATOM 586 C LYS A 39 -0.826 1.553 6.029 1.00 0.00 C ATOM 587 O LYS A 39 -1.384 0.538 6.455 1.00 0.00 O ATOM 588 CB LYS A 39 0.659 2.444 7.827 1.00 0.00 C ATOM 589 CG LYS A 39 2.112 2.597 8.291 1.00 0.00 C ATOM 590 CD LYS A 39 2.480 4.082 8.347 1.00 0.00 C ATOM 591 CE LYS A 39 3.988 4.228 8.570 1.00 0.00 C ATOM 592 NZ LYS A 39 4.329 5.668 8.757 1.00 0.00 N ATOM 0 H LYS A 39 1.425 3.724 5.837 1.00 0.00 H new ATOM 0 HA LYS A 39 1.208 0.938 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.158 3.412 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.115 1.792 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.240 2.143 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.780 2.072 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.190 4.574 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.934 4.573 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.294 3.655 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.533 3.823 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.353 5.765 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.052 6.203 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.820 6.041 9.584 1.00 0.00 H new ATOM 606 N GLU A 40 -1.436 2.435 5.223 1.00 0.00 N ATOM 607 CA GLU A 40 -2.824 2.243 4.792 1.00 0.00 C ATOM 608 C GLU A 40 -2.927 1.231 3.639 1.00 0.00 C ATOM 609 O GLU A 40 -4.033 0.886 3.214 1.00 0.00 O ATOM 610 CB GLU A 40 -3.430 3.576 4.339 1.00 0.00 C ATOM 611 CG GLU A 40 -3.684 4.467 5.561 1.00 0.00 C ATOM 612 CD GLU A 40 -5.167 4.435 5.923 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.612 3.419 6.431 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.833 5.431 5.691 1.00 0.00 O ATOM 0 H GLU A 40 -0.993 3.279 4.861 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.376 1.853 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.755 4.077 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.363 3.400 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.086 4.122 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.374 5.490 5.348 1.00 0.00 H new ATOM 621 N LEU A 41 -1.776 0.753 3.138 1.00 0.00 N ATOM 622 CA LEU A 41 -1.771 -0.223 2.043 1.00 0.00 C ATOM 623 C LEU A 41 -2.480 -1.514 2.467 1.00 0.00 C ATOM 624 O LEU A 41 -3.248 -2.093 1.701 1.00 0.00 O ATOM 625 CB LEU A 41 -0.336 -0.553 1.622 1.00 0.00 C ATOM 626 CG LEU A 41 -0.157 -0.990 0.162 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.795 -2.367 -0.052 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.821 0.031 -0.768 1.00 0.00 C ATOM 0 H LEU A 41 -0.850 1.024 3.470 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.302 0.219 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.286 0.324 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.040 -1.346 2.269 1.00 0.00 H new ATOM 0 HG LEU A 41 0.908 -1.048 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.664 -2.671 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.316 -3.095 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.859 -2.315 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.692 -0.283 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.885 0.095 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.359 1.008 -0.624 1.00 0.00 H new ATOM 640 N GLY A 42 -2.225 -1.954 3.700 1.00 0.00 N ATOM 641 CA GLY A 42 -2.860 -3.170 4.214 1.00 0.00 C ATOM 642 C GLY A 42 -4.378 -2.992 4.356 1.00 0.00 C ATOM 643 O GLY A 42 -5.119 -3.973 4.454 1.00 0.00 O ATOM 0 H GLY A 42 -1.592 -1.494 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.651 -4.003 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.430 -3.425 5.182 1.00 0.00 H new ATOM 647 N LYS A 43 -4.834 -1.730 4.370 1.00 0.00 N ATOM 648 CA LYS A 43 -6.262 -1.431 4.503 1.00 0.00 C ATOM 649 C LYS A 43 -6.964 -1.454 3.141 1.00 0.00 C ATOM 650 O LYS A 43 -8.118 -1.873 3.040 1.00 0.00 O ATOM 651 CB LYS A 43 -6.465 -0.051 5.142 1.00 0.00 C ATOM 652 CG LYS A 43 -5.737 0.011 6.491 1.00 0.00 C ATOM 653 CD LYS A 43 -6.530 -0.768 7.544 1.00 0.00 C ATOM 654 CE LYS A 43 -6.277 -0.164 8.929 1.00 0.00 C ATOM 655 NZ LYS A 43 -4.941 -0.600 9.432 1.00 0.00 N ATOM 0 H LYS A 43 -4.236 -0.907 4.291 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.697 -2.201 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.086 0.726 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.529 0.141 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.735 -0.407 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.620 1.048 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.594 -0.735 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.234 -1.817 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.319 0.924 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.057 -0.479 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.773 -0.188 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.917 -1.638 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.201 -0.278 8.776 1.00 0.00 H new ATOM 669 N VAL A 44 -6.259 -1.000 2.094 1.00 0.00 N ATOM 670 CA VAL A 44 -6.840 -0.982 0.747 1.00 0.00 C ATOM 671 C VAL A 44 -6.991 -2.405 0.205 1.00 0.00 C ATOM 672 O VAL A 44 -7.928 -2.695 -0.538 1.00 0.00 O ATOM 673 CB VAL A 44 -5.988 -0.148 -0.227 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.006 1.320 0.202 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.542 -0.648 -0.240 1.00 0.00 C ATOM 0 H VAL A 44 -5.304 -0.647 2.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.824 -0.519 0.826 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.408 -0.249 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.402 1.908 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.032 1.689 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.597 1.410 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.955 -0.046 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.119 -0.563 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.520 -1.691 -0.556 1.00 0.00 H new ATOM 685 N MET A 45 -6.065 -3.292 0.597 1.00 0.00 N ATOM 686 CA MET A 45 -6.112 -4.690 0.156 1.00 0.00 C ATOM 687 C MET A 45 -7.391 -5.368 0.650 1.00 0.00 C ATOM 688 O MET A 45 -7.950 -6.224 -0.033 1.00 0.00 O ATOM 689 CB MET A 45 -4.905 -5.483 0.684 1.00 0.00 C ATOM 690 CG MET A 45 -3.596 -4.758 0.349 1.00 0.00 C ATOM 691 SD MET A 45 -2.911 -5.422 -1.187 1.00 0.00 S ATOM 692 CE MET A 45 -4.196 -4.783 -2.285 1.00 0.00 C ATOM 0 H MET A 45 -5.283 -3.068 1.212 1.00 0.00 H new ATOM 0 HA MET A 45 -6.090 -4.683 -0.934 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.991 -5.611 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.898 -6.480 0.244 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.777 -3.688 0.246 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.881 -4.883 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.766 -4.572 -3.264 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.988 -5.525 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.610 -3.866 -1.866 1.00 0.00 H new ATOM 702 N ARG A 46 -7.846 -4.972 1.842 1.00 0.00 N ATOM 703 CA ARG A 46 -9.066 -5.547 2.421 1.00 0.00 C ATOM 704 C ARG A 46 -10.273 -5.294 1.513 1.00 0.00 C ATOM 705 O ARG A 46 -11.124 -6.168 1.339 1.00 0.00 O ATOM 706 CB ARG A 46 -9.347 -4.942 3.801 1.00 0.00 C ATOM 707 CG ARG A 46 -8.578 -5.721 4.873 1.00 0.00 C ATOM 708 CD ARG A 46 -9.450 -5.875 6.122 1.00 0.00 C ATOM 709 NE ARG A 46 -8.703 -5.514 7.330 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.313 -5.343 8.512 1.00 0.00 C ATOM 711 NH1 ARG A 46 -10.611 -5.498 8.626 1.00 0.00 N ATOM 712 NH2 ARG A 46 -8.605 -5.018 9.563 1.00 0.00 N ATOM 0 H ARG A 46 -7.395 -4.263 2.421 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.908 -6.621 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.050 -3.893 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.416 -4.973 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.296 -6.702 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.655 -5.199 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.334 -5.243 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.801 -6.904 6.201 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.692 -5.390 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.168 -5.751 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.063 -5.365 9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.596 -4.896 9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.062 -4.886 10.465 1.00 0.00 H new ATOM 726 N MET A 47 -10.333 -4.090 0.937 1.00 0.00 N ATOM 727 CA MET A 47 -11.438 -3.725 0.044 1.00 0.00 C ATOM 728 C MET A 47 -11.200 -4.254 -1.373 1.00 0.00 C ATOM 729 O MET A 47 -12.140 -4.664 -2.056 1.00 0.00 O ATOM 730 CB MET A 47 -11.600 -2.202 -0.011 1.00 0.00 C ATOM 731 CG MET A 47 -12.350 -1.720 1.234 1.00 0.00 C ATOM 732 SD MET A 47 -11.772 -0.067 1.691 1.00 0.00 S ATOM 733 CE MET A 47 -12.906 0.195 3.077 1.00 0.00 C ATOM 0 H MET A 47 -9.637 -3.357 1.071 1.00 0.00 H new ATOM 0 HA MET A 47 -12.346 -4.177 0.443 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.622 -1.724 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.146 -1.916 -0.910 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.422 -1.700 1.040 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.188 -2.414 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.722 1.175 3.518 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.935 0.145 2.720 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.745 -0.577 3.829 1.00 0.00 H new ATOM 743 N LEU A 48 -9.935 -4.234 -1.809 1.00 0.00 N ATOM 744 CA LEU A 48 -9.579 -4.709 -3.150 1.00 0.00 C ATOM 745 C LEU A 48 -9.828 -6.214 -3.282 1.00 0.00 C ATOM 746 O LEU A 48 -10.551 -6.658 -4.175 1.00 0.00 O ATOM 747 CB LEU A 48 -8.103 -4.418 -3.446 1.00 0.00 C ATOM 748 CG LEU A 48 -7.846 -3.512 -4.651 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.348 -3.217 -4.760 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.323 -4.213 -5.925 1.00 0.00 C ATOM 0 H LEU A 48 -9.146 -3.897 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.207 -4.180 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.656 -3.958 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.588 -5.365 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.390 -2.576 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.166 -2.571 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.008 -2.718 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.801 -4.152 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.141 -3.569 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.779 -5.149 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.390 -4.422 -5.848 1.00 0.00 H new ATOM 762 N GLY A 49 -9.213 -6.987 -2.383 1.00 0.00 N ATOM 763 CA GLY A 49 -9.361 -8.444 -2.395 1.00 0.00 C ATOM 764 C GLY A 49 -8.024 -9.122 -2.101 1.00 0.00 C ATOM 765 O GLY A 49 -7.562 -9.969 -2.867 1.00 0.00 O ATOM 0 H GLY A 49 -8.611 -6.630 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.099 -8.746 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.734 -8.769 -3.366 1.00 0.00 H new ATOM 769 N GLN A 50 -7.411 -8.729 -0.981 1.00 0.00 N ATOM 770 CA GLN A 50 -6.119 -9.285 -0.570 1.00 0.00 C ATOM 771 C GLN A 50 -5.940 -9.146 0.944 1.00 0.00 C ATOM 772 O GLN A 50 -6.653 -8.381 1.599 1.00 0.00 O ATOM 773 CB GLN A 50 -4.973 -8.546 -1.270 1.00 0.00 C ATOM 774 CG GLN A 50 -4.527 -9.332 -2.505 1.00 0.00 C ATOM 775 CD GLN A 50 -4.134 -8.358 -3.612 1.00 0.00 C ATOM 776 OE1 GLN A 50 -4.991 -7.875 -4.354 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.878 -8.035 -3.770 1.00 0.00 N ATOM 0 H GLN A 50 -7.788 -8.028 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.100 -10.339 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.297 -7.547 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.135 -8.423 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.683 -9.975 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.333 -9.982 -2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.168 -8.434 -3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.608 -7.384 -4.507 1.00 0.00 H new ATOM 786 N ASN A 51 -4.979 -9.893 1.493 1.00 0.00 N ATOM 787 CA ASN A 51 -4.714 -9.842 2.932 1.00 0.00 C ATOM 788 C ASN A 51 -3.242 -10.165 3.226 1.00 0.00 C ATOM 789 O ASN A 51 -2.913 -11.260 3.691 1.00 0.00 O ATOM 790 CB ASN A 51 -5.616 -10.834 3.679 1.00 0.00 C ATOM 791 CG ASN A 51 -5.814 -10.370 5.123 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.864 -9.944 5.782 1.00 0.00 O ATOM 793 ND2 ASN A 51 -7.002 -10.431 5.660 1.00 0.00 N ATOM 0 H ASN A 51 -4.379 -10.532 0.971 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.929 -8.831 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.580 -10.912 3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.169 -11.828 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.143 -10.126 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.790 -10.783 5.116 1.00 0.00 H new ATOM 800 N PRO A 52 -2.343 -9.206 2.965 1.00 0.00 N ATOM 801 CA PRO A 52 -0.899 -9.385 3.214 1.00 0.00 C ATOM 802 C PRO A 52 -0.520 -9.101 4.668 1.00 0.00 C ATOM 803 O PRO A 52 -1.383 -8.947 5.536 1.00 0.00 O ATOM 804 CB PRO A 52 -0.281 -8.340 2.294 1.00 0.00 C ATOM 805 CG PRO A 52 -1.340 -7.272 2.060 1.00 0.00 C ATOM 806 CD PRO A 52 -2.703 -7.887 2.405 1.00 0.00 C ATOM 0 HA PRO A 52 -0.565 -10.406 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.611 -7.906 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.027 -8.791 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.146 -6.398 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.323 -6.936 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.249 -7.278 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.337 -7.983 1.523 1.00 0.00 H new ATOM 814 N THR A 53 0.786 -9.017 4.914 1.00 0.00 N ATOM 815 CA THR A 53 1.297 -8.732 6.252 1.00 0.00 C ATOM 816 C THR A 53 1.799 -7.289 6.302 1.00 0.00 C ATOM 817 O THR A 53 1.966 -6.650 5.261 1.00 0.00 O ATOM 818 CB THR A 53 2.449 -9.688 6.603 1.00 0.00 C ATOM 819 OG1 THR A 53 3.626 -9.296 5.911 1.00 0.00 O ATOM 820 CG2 THR A 53 2.074 -11.110 6.194 1.00 0.00 C ATOM 0 H THR A 53 1.508 -9.142 4.205 1.00 0.00 H new ATOM 0 HA THR A 53 0.494 -8.872 6.975 1.00 0.00 H new ATOM 0 HB THR A 53 2.631 -9.651 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.310 -9.991 6.010 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.891 -11.788 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.173 -11.416 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.890 -11.143 5.120 1.00 0.00 H new ATOM 828 N PRO A 54 2.063 -6.761 7.502 1.00 0.00 N ATOM 829 CA PRO A 54 2.565 -5.381 7.649 1.00 0.00 C ATOM 830 C PRO A 54 4.001 -5.223 7.151 1.00 0.00 C ATOM 831 O PRO A 54 4.399 -4.143 6.715 1.00 0.00 O ATOM 832 CB PRO A 54 2.462 -5.147 9.150 1.00 0.00 C ATOM 833 CG PRO A 54 2.458 -6.517 9.808 1.00 0.00 C ATOM 834 CD PRO A 54 1.898 -7.497 8.774 1.00 0.00 C ATOM 0 HA PRO A 54 2.001 -4.662 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.301 -4.549 9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.553 -4.598 9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.465 -6.805 10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.845 -6.512 10.709 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.447 -8.439 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.853 -7.738 8.969 1.00 0.00 H new ATOM 842 N GLU A 55 4.763 -6.318 7.200 1.00 0.00 N ATOM 843 CA GLU A 55 6.148 -6.294 6.729 1.00 0.00 C ATOM 844 C GLU A 55 6.201 -6.486 5.210 1.00 0.00 C ATOM 845 O GLU A 55 7.078 -5.941 4.537 1.00 0.00 O ATOM 846 CB GLU A 55 6.985 -7.386 7.412 1.00 0.00 C ATOM 847 CG GLU A 55 6.360 -8.768 7.183 1.00 0.00 C ATOM 848 CD GLU A 55 7.302 -9.849 7.704 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.137 -10.299 6.937 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.174 -10.212 8.863 1.00 0.00 O ATOM 0 H GLU A 55 4.449 -7.221 7.556 1.00 0.00 H new ATOM 0 HA GLU A 55 6.567 -5.321 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.002 -7.371 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.053 -7.184 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.399 -8.833 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.168 -8.920 6.121 1.00 0.00 H new ATOM 857 N GLU A 56 5.252 -7.268 4.677 1.00 0.00 N ATOM 858 CA GLU A 56 5.197 -7.530 3.237 1.00 0.00 C ATOM 859 C GLU A 56 4.748 -6.285 2.472 1.00 0.00 C ATOM 860 O GLU A 56 5.441 -5.830 1.560 1.00 0.00 O ATOM 861 CB GLU A 56 4.232 -8.679 2.931 1.00 0.00 C ATOM 862 CG GLU A 56 4.960 -10.017 3.091 1.00 0.00 C ATOM 863 CD GLU A 56 4.107 -11.135 2.503 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.253 -11.638 3.215 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.319 -11.473 1.350 1.00 0.00 O ATOM 0 H GLU A 56 4.519 -7.726 5.218 1.00 0.00 H new ATOM 0 HA GLU A 56 6.202 -7.805 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.375 -8.637 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.846 -8.583 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.926 -9.980 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.157 -10.212 4.145 1.00 0.00 H new ATOM 872 N LEU A 57 3.580 -5.741 2.845 1.00 0.00 N ATOM 873 CA LEU A 57 3.056 -4.548 2.174 1.00 0.00 C ATOM 874 C LEU A 57 4.053 -3.389 2.250 1.00 0.00 C ATOM 875 O LEU A 57 4.210 -2.634 1.289 1.00 0.00 O ATOM 876 CB LEU A 57 1.720 -4.110 2.790 1.00 0.00 C ATOM 877 CG LEU A 57 1.761 -3.733 4.278 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.968 -2.223 4.428 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.437 -4.128 4.936 1.00 0.00 C ATOM 0 H LEU A 57 2.991 -6.103 3.595 1.00 0.00 H new ATOM 0 HA LEU A 57 2.897 -4.811 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.346 -3.254 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.999 -4.917 2.659 1.00 0.00 H new ATOM 0 HG LEU A 57 2.586 -4.259 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.996 -1.963 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.909 -1.936 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.146 -1.693 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.462 -3.862 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.383 -3.601 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.288 -5.203 4.836 1.00 0.00 H new ATOM 891 N GLN A 58 4.724 -3.259 3.401 1.00 0.00 N ATOM 892 CA GLN A 58 5.707 -2.188 3.600 1.00 0.00 C ATOM 893 C GLN A 58 6.807 -2.246 2.539 1.00 0.00 C ATOM 894 O GLN A 58 7.184 -1.222 1.966 1.00 0.00 O ATOM 895 CB GLN A 58 6.347 -2.292 4.989 1.00 0.00 C ATOM 896 CG GLN A 58 7.044 -0.973 5.339 1.00 0.00 C ATOM 897 CD GLN A 58 5.998 0.098 5.635 1.00 0.00 C ATOM 898 OE1 GLN A 58 5.531 0.831 4.659 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 5.590 0.274 6.783 1.00 0.00 N flip ATOM 0 H GLN A 58 4.605 -3.878 4.203 1.00 0.00 H new ATOM 0 HA GLN A 58 5.177 -1.239 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.585 -2.520 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.067 -3.110 5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.692 -1.111 6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.680 -0.656 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.953 -0.297 7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.889 0.991 6.971 1.00 0.00 H new ATOM 908 N GLU A 59 7.314 -3.456 2.287 1.00 0.00 N ATOM 909 CA GLU A 59 8.373 -3.645 1.292 1.00 0.00 C ATOM 910 C GLU A 59 7.896 -3.224 -0.100 1.00 0.00 C ATOM 911 O GLU A 59 8.629 -2.571 -0.842 1.00 0.00 O ATOM 912 CB GLU A 59 8.812 -5.112 1.244 1.00 0.00 C ATOM 913 CG GLU A 59 9.627 -5.446 2.497 1.00 0.00 C ATOM 914 CD GLU A 59 9.847 -6.954 2.578 1.00 0.00 C ATOM 915 OE1 GLU A 59 8.974 -7.636 3.093 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.886 -7.405 2.124 1.00 0.00 O ATOM 0 H GLU A 59 7.012 -4.312 2.753 1.00 0.00 H new ATOM 0 HA GLU A 59 9.216 -3.021 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.939 -5.761 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.409 -5.294 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.586 -4.929 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.104 -5.096 3.387 1.00 0.00 H new ATOM 923 N MET A 60 6.657 -3.600 -0.441 1.00 0.00 N ATOM 924 CA MET A 60 6.086 -3.254 -1.747 1.00 0.00 C ATOM 925 C MET A 60 5.970 -1.738 -1.904 1.00 0.00 C ATOM 926 O MET A 60 6.307 -1.187 -2.951 1.00 0.00 O ATOM 927 CB MET A 60 4.698 -3.880 -1.912 1.00 0.00 C ATOM 928 CG MET A 60 4.842 -5.351 -2.308 1.00 0.00 C ATOM 929 SD MET A 60 3.235 -5.992 -2.839 1.00 0.00 S ATOM 930 CE MET A 60 3.545 -7.731 -2.447 1.00 0.00 C ATOM 0 H MET A 60 6.036 -4.139 0.163 1.00 0.00 H new ATOM 0 HA MET A 60 6.755 -3.645 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.137 -3.797 -0.981 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.133 -3.342 -2.673 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.570 -5.453 -3.113 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.216 -5.931 -1.464 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.666 -8.323 -2.700 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.400 -8.087 -3.022 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.756 -7.832 -1.382 1.00 0.00 H new ATOM 940 N ILE A 61 5.487 -1.074 -0.848 1.00 0.00 N ATOM 941 CA ILE A 61 5.325 0.381 -0.864 1.00 0.00 C ATOM 942 C ILE A 61 6.654 1.072 -1.169 1.00 0.00 C ATOM 943 O ILE A 61 6.824 1.664 -2.233 1.00 0.00 O ATOM 944 CB ILE A 61 4.808 0.861 0.493 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.381 0.352 0.697 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.827 2.388 0.547 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.179 0.005 2.168 1.00 0.00 C ATOM 0 H ILE A 61 5.203 -1.520 0.024 1.00 0.00 H new ATOM 0 HA ILE A 61 4.608 0.636 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 61 5.450 0.473 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.663 1.112 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.203 -0.526 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.457 2.722 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.847 2.744 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.190 2.788 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.163 -0.359 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.889 -0.769 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.341 0.894 2.777 1.00 0.00 H new ATOM 959 N ASP A 62 7.585 0.994 -0.215 1.00 0.00 N ATOM 960 CA ASP A 62 8.907 1.615 -0.372 1.00 0.00 C ATOM 961 C ASP A 62 9.533 1.272 -1.730 1.00 0.00 C ATOM 962 O ASP A 62 10.211 2.105 -2.336 1.00 0.00 O ATOM 963 CB ASP A 62 9.849 1.146 0.742 1.00 0.00 C ATOM 964 CG ASP A 62 9.498 1.859 2.046 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.640 1.364 2.759 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.095 2.890 2.314 1.00 0.00 O ATOM 0 H ASP A 62 7.451 0.509 0.672 1.00 0.00 H new ATOM 0 HA ASP A 62 8.768 2.695 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.765 0.067 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.883 1.355 0.469 1.00 0.00 H new ATOM 971 N GLU A 63 9.295 0.040 -2.204 1.00 0.00 N ATOM 972 CA GLU A 63 9.835 -0.403 -3.494 1.00 0.00 C ATOM 973 C GLU A 63 9.307 0.468 -4.637 1.00 0.00 C ATOM 974 O GLU A 63 10.079 0.969 -5.457 1.00 0.00 O ATOM 975 CB GLU A 63 9.441 -1.858 -3.771 1.00 0.00 C ATOM 976 CG GLU A 63 10.496 -2.803 -3.191 1.00 0.00 C ATOM 977 CD GLU A 63 10.096 -4.248 -3.479 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.344 -4.804 -2.693 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.544 -4.778 -4.483 1.00 0.00 O ATOM 0 H GLU A 63 8.737 -0.661 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 63 10.920 -0.315 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.468 -2.071 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.346 -2.020 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.471 -2.590 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.588 -2.647 -2.116 1.00 0.00 H new ATOM 986 N VAL A 64 7.981 0.634 -4.684 1.00 0.00 N ATOM 987 CA VAL A 64 7.348 1.437 -5.737 1.00 0.00 C ATOM 988 C VAL A 64 7.479 2.941 -5.471 1.00 0.00 C ATOM 989 O VAL A 64 7.340 3.748 -6.391 1.00 0.00 O ATOM 990 CB VAL A 64 5.858 1.092 -5.872 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.696 -0.408 -6.125 1.00 0.00 C ATOM 992 CG2 VAL A 64 5.113 1.478 -4.589 1.00 0.00 C ATOM 0 H VAL A 64 7.330 0.228 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 64 7.871 1.196 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 64 5.440 1.649 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.637 -0.649 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.214 -0.680 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.121 -0.966 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.057 1.230 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.533 0.930 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.219 2.549 -4.415 1.00 0.00 H new ATOM 1002 N ASP A 65 7.734 3.313 -4.208 1.00 0.00 N ATOM 1003 CA ASP A 65 7.866 4.725 -3.849 1.00 0.00 C ATOM 1004 C ASP A 65 9.117 5.313 -4.503 1.00 0.00 C ATOM 1005 O ASP A 65 10.214 5.277 -3.940 1.00 0.00 O ATOM 1006 CB ASP A 65 7.950 4.893 -2.325 1.00 0.00 C ATOM 1007 CG ASP A 65 7.122 6.103 -1.889 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.327 7.173 -2.438 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.289 5.939 -1.012 1.00 0.00 O ATOM 0 H ASP A 65 7.851 2.663 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 65 6.985 5.256 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.584 3.993 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.989 5.023 -2.021 1.00 0.00 H new ATOM 1014 N GLU A 66 8.932 5.838 -5.716 1.00 0.00 N ATOM 1015 CA GLU A 66 10.040 6.426 -6.478 1.00 0.00 C ATOM 1016 C GLU A 66 10.552 7.707 -5.817 1.00 0.00 C ATOM 1017 O GLU A 66 11.758 7.955 -5.775 1.00 0.00 O ATOM 1018 CB GLU A 66 9.594 6.750 -7.907 1.00 0.00 C ATOM 1019 CG GLU A 66 9.672 5.488 -8.770 1.00 0.00 C ATOM 1020 CD GLU A 66 9.564 5.866 -10.245 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.583 6.194 -10.830 1.00 0.00 O ATOM 1022 OE2 GLU A 66 8.462 5.821 -10.769 1.00 0.00 O ATOM 0 H GLU A 66 8.030 5.869 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 66 10.846 5.692 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.575 7.136 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.228 7.530 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.612 4.967 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.869 4.801 -8.501 1.00 0.00 H new ATOM 1029 N ASP A 67 9.622 8.519 -5.311 1.00 0.00 N ATOM 1030 CA ASP A 67 9.986 9.785 -4.663 1.00 0.00 C ATOM 1031 C ASP A 67 10.428 9.563 -3.213 1.00 0.00 C ATOM 1032 O ASP A 67 11.389 10.181 -2.750 1.00 0.00 O ATOM 1033 CB ASP A 67 8.810 10.780 -4.683 1.00 0.00 C ATOM 1034 CG ASP A 67 7.498 10.071 -4.334 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.876 9.534 -5.237 1.00 0.00 O ATOM 1036 OD2 ASP A 67 7.137 10.076 -3.170 1.00 0.00 O ATOM 0 H ASP A 67 8.620 8.328 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 67 10.819 10.201 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.995 11.585 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.731 11.238 -5.669 1.00 0.00 H new ATOM 1041 N GLY A 68 9.713 8.689 -2.499 1.00 0.00 N ATOM 1042 CA GLY A 68 10.037 8.409 -1.100 1.00 0.00 C ATOM 1043 C GLY A 68 9.604 9.574 -0.215 1.00 0.00 C ATOM 1044 O GLY A 68 10.397 10.111 0.561 1.00 0.00 O ATOM 0 H GLY A 68 8.915 8.169 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.538 7.494 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.109 8.241 -0.994 1.00 0.00 H new ATOM 1048 N SER A 69 8.334 9.964 -0.355 1.00 0.00 N ATOM 1049 CA SER A 69 7.787 11.079 0.419 1.00 0.00 C ATOM 1050 C SER A 69 7.103 10.584 1.695 1.00 0.00 C ATOM 1051 O SER A 69 7.322 11.123 2.780 1.00 0.00 O ATOM 1052 CB SER A 69 6.769 11.860 -0.419 1.00 0.00 C ATOM 1053 OG SER A 69 5.746 10.977 -0.874 1.00 0.00 O ATOM 0 H SER A 69 7.670 9.526 -0.993 1.00 0.00 H new ATOM 0 HA SER A 69 8.619 11.728 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.333 12.663 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.265 12.327 -1.270 1.00 0.00 H new ATOM 0 HG SER A 69 6.036 10.539 -1.702 1.00 0.00 H new ATOM 1059 N GLY A 70 6.262 9.560 1.540 1.00 0.00 N ATOM 1060 CA GLY A 70 5.525 8.997 2.673 1.00 0.00 C ATOM 1061 C GLY A 70 4.145 8.519 2.223 1.00 0.00 C ATOM 1062 O GLY A 70 3.588 7.574 2.787 1.00 0.00 O ATOM 0 H GLY A 70 6.075 9.106 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.084 8.165 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.420 9.748 3.456 1.00 0.00 H new ATOM 1066 N THR A 71 3.603 9.182 1.197 1.00 0.00 N ATOM 1067 CA THR A 71 2.292 8.822 0.664 1.00 0.00 C ATOM 1068 C THR A 71 2.451 8.065 -0.654 1.00 0.00 C ATOM 1069 O THR A 71 3.419 8.271 -1.392 1.00 0.00 O ATOM 1070 CB THR A 71 1.435 10.073 0.425 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.990 10.847 -0.636 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.382 10.915 1.703 1.00 0.00 C ATOM 0 H THR A 71 4.051 9.966 0.723 1.00 0.00 H new ATOM 0 HA THR A 71 1.794 8.187 1.397 1.00 0.00 H new ATOM 0 HB THR A 71 0.425 9.766 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.437 11.643 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.773 11.802 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.944 10.326 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.392 11.217 1.982 1.00 0.00 H new ATOM 1080 N VAL A 72 1.490 7.189 -0.941 1.00 0.00 N ATOM 1081 CA VAL A 72 1.528 6.404 -2.173 1.00 0.00 C ATOM 1082 C VAL A 72 0.566 6.992 -3.199 1.00 0.00 C ATOM 1083 O VAL A 72 -0.643 7.058 -2.971 1.00 0.00 O ATOM 1084 CB VAL A 72 1.139 4.945 -1.906 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.425 4.100 -3.150 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.950 4.402 -0.726 1.00 0.00 C ATOM 0 H VAL A 72 0.683 7.006 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 72 2.547 6.436 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 72 0.076 4.896 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.148 3.064 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.844 4.481 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.487 4.153 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.671 3.365 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.013 4.455 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.744 4.999 0.162 1.00 0.00 H new ATOM 1096 N ASP A 73 1.119 7.406 -4.336 1.00 0.00 N ATOM 1097 CA ASP A 73 0.309 7.980 -5.409 1.00 0.00 C ATOM 1098 C ASP A 73 -0.260 6.858 -6.273 1.00 0.00 C ATOM 1099 O ASP A 73 -0.014 5.677 -6.016 1.00 0.00 O ATOM 1100 CB ASP A 73 1.158 8.902 -6.295 1.00 0.00 C ATOM 1101 CG ASP A 73 1.494 10.191 -5.545 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.169 10.112 -4.530 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.076 11.241 -6.003 1.00 0.00 O ATOM 0 H ASP A 73 2.117 7.356 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.498 8.559 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.076 8.393 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.617 9.136 -7.212 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.014 7.231 -7.305 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.598 6.235 -8.201 1.00 0.00 C ATOM 1110 C PHE A 74 -0.513 5.581 -9.059 1.00 0.00 C ATOM 1111 O PHE A 74 -0.621 4.409 -9.417 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.650 6.866 -9.114 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.585 5.791 -9.612 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.184 4.911 -8.704 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -3.854 5.678 -10.979 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.053 3.915 -9.163 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.723 4.683 -11.439 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.325 3.802 -10.532 1.00 0.00 C ATOM 0 H PHE A 74 -1.233 8.199 -7.539 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.077 5.477 -7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.209 7.628 -8.572 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.167 7.363 -9.955 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.975 5.001 -7.648 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.392 6.358 -11.679 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.513 3.234 -8.462 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.930 4.594 -12.495 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.998 3.036 -10.888 1.00 0.00 H new ATOM 1128 N ASP A 75 0.543 6.344 -9.364 1.00 0.00 N ATOM 1129 CA ASP A 75 1.653 5.815 -10.158 1.00 0.00 C ATOM 1130 C ASP A 75 2.373 4.725 -9.368 1.00 0.00 C ATOM 1131 O ASP A 75 2.778 3.707 -9.925 1.00 0.00 O ATOM 1132 CB ASP A 75 2.651 6.925 -10.509 1.00 0.00 C ATOM 1133 CG ASP A 75 2.330 7.481 -11.893 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.860 6.956 -12.860 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.559 8.424 -11.967 1.00 0.00 O ATOM 0 H ASP A 75 0.650 7.317 -9.077 1.00 0.00 H new ATOM 0 HA ASP A 75 1.248 5.402 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.602 7.721 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.668 6.533 -10.490 1.00 0.00 H new ATOM 1140 N GLU A 76 2.498 4.950 -8.055 1.00 0.00 N ATOM 1141 CA GLU A 76 3.143 3.985 -7.160 1.00 0.00 C ATOM 1142 C GLU A 76 2.173 2.844 -6.834 1.00 0.00 C ATOM 1143 O GLU A 76 2.585 1.715 -6.566 1.00 0.00 O ATOM 1144 CB GLU A 76 3.575 4.664 -5.852 1.00 0.00 C ATOM 1145 CG GLU A 76 4.254 6.006 -6.162 1.00 0.00 C ATOM 1146 CD GLU A 76 4.460 6.812 -4.875 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.837 6.227 -3.872 1.00 0.00 O ATOM 1148 OE2 GLU A 76 4.236 8.010 -4.913 1.00 0.00 O ATOM 0 H GLU A 76 2.161 5.792 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 76 4.024 3.589 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.708 4.824 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.261 4.017 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.215 5.831 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.643 6.576 -6.862 1.00 0.00 H new ATOM 1155 N PHE A 77 0.873 3.163 -6.868 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.173 2.178 -6.584 1.00 0.00 C ATOM 1157 C PHE A 77 -0.314 1.183 -7.746 1.00 0.00 C ATOM 1158 O PHE A 77 -0.553 -0.008 -7.531 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.508 2.901 -6.361 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.544 1.944 -5.824 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.436 1.447 -4.516 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.616 1.558 -6.634 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.404 0.563 -4.025 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.584 0.674 -6.141 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.476 0.175 -4.837 1.00 0.00 C ATOM 0 H PHE A 77 0.523 4.095 -7.089 1.00 0.00 H new ATOM 0 HA PHE A 77 0.103 1.625 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.369 3.726 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.855 3.333 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.608 1.746 -3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.698 1.942 -7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.324 0.180 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.413 0.377 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.220 -0.510 -4.458 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.169 1.688 -8.975 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.288 0.851 -10.174 1.00 0.00 C ATOM 1177 C LEU A 78 0.979 0.024 -10.419 1.00 0.00 C ATOM 1178 O LEU A 78 0.897 -1.158 -10.761 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.552 1.725 -11.408 1.00 0.00 C ATOM 1180 CG LEU A 78 -1.952 2.355 -11.497 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.344 2.523 -12.967 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -2.974 1.454 -10.798 1.00 0.00 C ATOM 0 H LEU A 78 0.030 2.670 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.123 0.170 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.188 2.526 -11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.390 1.120 -12.300 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.938 3.329 -11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.336 2.970 -13.030 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.622 3.171 -13.464 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.353 1.548 -13.455 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.964 1.906 -10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.988 0.477 -11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.699 1.337 -9.750 1.00 0.00 H new ATOM 1194 N VAL A 79 2.149 0.655 -10.253 1.00 0.00 N ATOM 1195 CA VAL A 79 3.427 -0.042 -10.474 1.00 0.00 C ATOM 1196 C VAL A 79 3.579 -1.247 -9.543 1.00 0.00 C ATOM 1197 O VAL A 79 4.267 -2.205 -9.877 1.00 0.00 O ATOM 1198 CB VAL A 79 4.628 0.887 -10.263 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.665 1.948 -11.365 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.533 1.567 -8.896 1.00 0.00 C ATOM 0 H VAL A 79 2.240 1.631 -9.971 1.00 0.00 H new ATOM 0 HA VAL A 79 3.410 -0.380 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 79 5.542 0.295 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.521 2.605 -11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.754 1.461 -12.336 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.747 2.535 -11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.391 2.225 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.615 2.152 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.525 0.809 -8.112 1.00 0.00 H new ATOM 1210 N MET A 80 2.937 -1.186 -8.375 1.00 0.00 N ATOM 1211 CA MET A 80 3.008 -2.284 -7.398 1.00 0.00 C ATOM 1212 C MET A 80 2.788 -3.650 -8.063 1.00 0.00 C ATOM 1213 O MET A 80 3.378 -4.651 -7.651 1.00 0.00 O ATOM 1214 CB MET A 80 1.952 -2.086 -6.305 1.00 0.00 C ATOM 1215 CG MET A 80 2.591 -1.419 -5.085 1.00 0.00 C ATOM 1216 SD MET A 80 1.300 -0.971 -3.898 1.00 0.00 S ATOM 1217 CE MET A 80 2.364 -0.102 -2.720 1.00 0.00 C ATOM 0 H MET A 80 2.364 -0.395 -8.080 1.00 0.00 H new ATOM 0 HA MET A 80 4.007 -2.268 -6.962 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.135 -1.470 -6.682 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.522 -3.047 -6.023 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.308 -2.096 -4.621 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.143 -0.530 -5.390 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.859 -0.031 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.298 -0.651 -2.600 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.577 0.900 -3.093 1.00 0.00 H new ATOM 1227 N MET A 81 1.931 -3.683 -9.090 1.00 0.00 N ATOM 1228 CA MET A 81 1.639 -4.933 -9.799 1.00 0.00 C ATOM 1229 C MET A 81 2.729 -5.274 -10.827 1.00 0.00 C ATOM 1230 O MET A 81 3.162 -6.424 -10.922 1.00 0.00 O ATOM 1231 CB MET A 81 0.291 -4.836 -10.522 1.00 0.00 C ATOM 1232 CG MET A 81 -0.849 -5.038 -9.519 1.00 0.00 C ATOM 1233 SD MET A 81 -1.144 -6.809 -9.286 1.00 0.00 S ATOM 1234 CE MET A 81 -2.507 -6.969 -10.466 1.00 0.00 C ATOM 0 H MET A 81 1.432 -2.867 -9.446 1.00 0.00 H new ATOM 0 HA MET A 81 1.606 -5.724 -9.050 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.196 -3.863 -11.005 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.234 -5.589 -11.308 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.596 -4.573 -8.566 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.755 -4.552 -9.880 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.852 -8.003 -10.485 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.328 -6.318 -10.164 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.163 -6.683 -11.460 1.00 0.00 H new ATOM 1244 N VAL A 82 3.148 -4.273 -11.612 1.00 0.00 N ATOM 1245 CA VAL A 82 4.166 -4.490 -12.654 1.00 0.00 C ATOM 1246 C VAL A 82 5.589 -4.593 -12.081 1.00 0.00 C ATOM 1247 O VAL A 82 6.459 -5.212 -12.694 1.00 0.00 O ATOM 1248 CB VAL A 82 4.133 -3.360 -13.695 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.717 -3.208 -14.256 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.567 -2.040 -13.051 1.00 0.00 C ATOM 0 H VAL A 82 2.804 -3.315 -11.549 1.00 0.00 H new ATOM 0 HA VAL A 82 3.918 -5.442 -13.124 1.00 0.00 H new ATOM 0 HB VAL A 82 4.819 -3.610 -14.504 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.702 -2.405 -14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.411 -4.141 -14.729 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.028 -2.969 -13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.540 -1.245 -13.797 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.889 -1.794 -12.234 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.581 -2.140 -12.664 1.00 0.00 H new ATOM 1260 N ARG A 83 5.827 -3.980 -10.914 1.00 0.00 N ATOM 1261 CA ARG A 83 7.160 -4.015 -10.292 1.00 0.00 C ATOM 1262 C ARG A 83 7.573 -5.447 -9.936 1.00 0.00 C ATOM 1263 O ARG A 83 8.764 -5.748 -9.831 1.00 0.00 O ATOM 1264 CB ARG A 83 7.206 -3.143 -9.026 1.00 0.00 C ATOM 1265 CG ARG A 83 6.234 -3.681 -7.967 1.00 0.00 C ATOM 1266 CD ARG A 83 6.890 -3.621 -6.585 1.00 0.00 C ATOM 1267 NE ARG A 83 6.669 -4.873 -5.854 1.00 0.00 N ATOM 1268 CZ ARG A 83 7.487 -5.929 -5.989 1.00 0.00 C ATOM 1269 NH1 ARG A 83 8.525 -5.880 -6.790 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.240 -7.022 -5.314 1.00 0.00 N ATOM 0 H ARG A 83 5.126 -3.460 -10.386 1.00 0.00 H new ATOM 0 HA ARG A 83 7.862 -3.617 -11.025 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.219 -3.128 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.947 -2.114 -9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.316 -3.093 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.956 -4.708 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.960 -3.440 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.480 -2.785 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 83 5.870 -4.944 -5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.720 -5.031 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.137 -6.691 -6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.432 -7.066 -4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.855 -7.830 -5.409 1.00 0.00 H new ATOM 1284 N CYS A 84 6.580 -6.327 -9.757 1.00 0.00 N ATOM 1285 CA CYS A 84 6.853 -7.725 -9.419 1.00 0.00 C ATOM 1286 C CYS A 84 7.487 -8.473 -10.601 1.00 0.00 C ATOM 1287 O CYS A 84 8.096 -9.529 -10.414 1.00 0.00 O ATOM 1288 CB CYS A 84 5.559 -8.440 -9.013 1.00 0.00 C ATOM 1289 SG CYS A 84 5.954 -9.821 -7.911 1.00 0.00 S ATOM 0 H CYS A 84 5.590 -6.097 -9.840 1.00 0.00 H new ATOM 0 HA CYS A 84 7.554 -7.727 -8.584 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.887 -7.743 -8.513 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.039 -8.805 -9.899 1.00 0.00 H new ATOM 0 HG CYS A 84 4.857 -10.427 -7.564 1.00 0.00 H new