USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 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 83 SER OG : rot -149:sc= -0.703! USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= -5.37! (180deg=-5.85!) USER MOD Set 2.1: A 17 GLN : amide:sc= 0.682 K(o=-0.16,f=-1.4) USER MOD Set 2.2: A 30 THR OG1 : rot 110:sc= -0.838! USER MOD Set 3.1: A 3 HIS :FLIP no HD1:sc= -3.44! C(o=-8.5!,f=-7!) USER MOD Set 3.2: A 13 SER OG : rot 11:sc= -3.54! USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 8 SER OG : rot -58:sc= 0.997 USER MOD Single : A 12 TYR OH : rot -132:sc= 0.386 USER MOD Single : A 16 MET CE :methyl 147:sc= 0 (180deg=-0.063) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -7.65! C(o=-7.7!,f=-9.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0728 K(o=-0.073,f=-1) USER MOD Single : A 46 THR OG1 : rot -130:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.17! C(o=-3.2!,f=-6.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.57! USER MOD Single : A 63 ASN :FLIP amide:sc= 1.08 F(o=-0.11,f=1.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -66:sc= -0.626! USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.117 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-0.95) USER MOD Single : A 84 THR OG1 : rot 145:sc= -7.43! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.164 USER MOD Single : A 87 ASN : amide:sc= -0.324 K(o=-0.32,f=-3!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -3.15! C(o=-3.1!,f=-11!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 174:sc= 0.00438 USER MOD Single : A 98 THR OG1 : rot 130:sc= -0.0338 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 43.591 2.286 -41.318 1.00 0.00 N ATOM 32 CA HIS A 3 42.719 2.239 -40.152 1.00 0.00 C ATOM 33 C HIS A 3 43.432 2.784 -38.919 1.00 0.00 C ATOM 34 O HIS A 3 44.647 2.981 -38.930 1.00 0.00 O ATOM 35 CB HIS A 3 42.251 0.806 -39.898 1.00 0.00 C ATOM 36 CG HIS A 3 41.030 0.429 -40.677 1.00 0.00 C ATOM 37 ND1 HIS A 3 39.920 -0.253 -40.311 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 40.854 0.760 -42.005 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 39.103 -0.322 -41.412 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 39.688 0.298 -42.420 1.00 0.00 N flip ATOM 0 HA HIS A 3 41.850 2.866 -40.351 1.00 0.00 H new ATOM 0 HB2 HIS A 3 43.059 0.119 -40.149 1.00 0.00 H new ATOM 0 HB3 HIS A 3 42.046 0.682 -38.835 1.00 0.00 H new ATOM 0 HD2 HIS A 3 41.559 1.310 -42.610 1.00 0.00 H new ATOM 0 HE1 HIS A 3 38.138 -0.805 -41.448 1.00 0.00 H new ATOM 0 HE2 HIS A 3 39.305 0.403 -43.360 1.00 0.00 H new ATOM 49 N CYS A 4 42.670 3.026 -37.857 1.00 0.00 N ATOM 50 CA CYS A 4 43.233 3.550 -36.618 1.00 0.00 C ATOM 51 C CYS A 4 43.090 2.544 -35.483 1.00 0.00 C ATOM 52 O CYS A 4 41.983 2.122 -35.147 1.00 0.00 O ATOM 53 CB CYS A 4 42.552 4.865 -36.242 1.00 0.00 C ATOM 54 SG CYS A 4 40.857 5.036 -36.899 1.00 0.00 S ATOM 0 H CYS A 4 41.663 2.868 -37.830 1.00 0.00 H new ATOM 0 HA CYS A 4 44.295 3.732 -36.780 1.00 0.00 H new ATOM 0 HB2 CYS A 4 42.520 4.948 -35.156 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.158 5.694 -36.608 1.00 0.00 H new ATOM 59 N VAL A 5 44.220 2.166 -34.894 1.00 0.00 N ATOM 60 CA VAL A 5 44.231 1.211 -33.794 1.00 0.00 C ATOM 61 C VAL A 5 44.914 1.806 -32.567 1.00 0.00 C ATOM 62 O VAL A 5 46.113 1.614 -32.360 1.00 0.00 O ATOM 63 CB VAL A 5 44.955 -0.090 -34.188 1.00 0.00 C ATOM 64 CG1 VAL A 5 44.126 -0.883 -35.185 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.333 0.216 -34.755 1.00 0.00 C ATOM 0 H VAL A 5 45.143 2.509 -35.162 1.00 0.00 H new ATOM 0 HA VAL A 5 43.192 0.982 -33.558 1.00 0.00 H new ATOM 0 HB VAL A 5 45.082 -0.698 -33.292 1.00 0.00 H new ATOM 0 HG11 VAL A 5 44.654 -1.798 -35.451 1.00 0.00 H new ATOM 0 HG12 VAL A 5 43.164 -1.136 -34.739 1.00 0.00 H new ATOM 0 HG13 VAL A 5 43.964 -0.284 -36.081 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.829 -0.715 -35.028 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.231 0.845 -35.639 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.927 0.738 -34.005 1.00 0.00 H new ATOM 75 N THR A 6 44.146 2.533 -31.761 1.00 0.00 N ATOM 76 CA THR A 6 44.676 3.163 -30.558 1.00 0.00 C ATOM 77 C THR A 6 45.767 2.309 -29.917 1.00 0.00 C ATOM 78 O THR A 6 46.957 2.567 -30.100 1.00 0.00 O ATOM 79 CB THR A 6 43.568 3.427 -29.519 1.00 0.00 C ATOM 80 OG1 THR A 6 44.128 3.463 -28.201 1.00 0.00 O ATOM 81 CG2 THR A 6 42.487 2.357 -29.587 1.00 0.00 C ATOM 0 H THR A 6 43.153 2.700 -31.920 1.00 0.00 H new ATOM 0 HA THR A 6 45.103 4.116 -30.870 1.00 0.00 H new ATOM 0 HB THR A 6 43.114 4.391 -29.748 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.417 3.633 -27.548 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.719 2.568 -28.843 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.039 2.355 -30.581 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.928 1.381 -29.386 1.00 0.00 H new ATOM 89 N ASP A 7 45.356 1.293 -29.166 1.00 0.00 N ATOM 90 CA ASP A 7 46.302 0.406 -28.500 1.00 0.00 C ATOM 91 C ASP A 7 46.298 -0.975 -29.145 1.00 0.00 C ATOM 92 O ASP A 7 47.300 -1.415 -29.707 1.00 0.00 O ATOM 93 CB ASP A 7 45.965 0.290 -27.013 1.00 0.00 C ATOM 94 CG ASP A 7 44.473 0.349 -26.749 1.00 0.00 C ATOM 95 OD1 ASP A 7 43.741 -0.510 -27.284 1.00 0.00 O ATOM 96 OD2 ASP A 7 44.036 1.254 -26.008 1.00 0.00 O ATOM 0 H ASP A 7 44.375 1.064 -29.004 1.00 0.00 H new ATOM 0 HA ASP A 7 47.299 0.833 -28.606 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.362 -0.648 -26.626 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.459 1.094 -26.468 1.00 0.00 H new ATOM 101 N SER A 8 45.161 -1.652 -29.059 1.00 0.00 N ATOM 102 CA SER A 8 45.018 -2.984 -29.632 1.00 0.00 C ATOM 103 C SER A 8 43.711 -3.631 -29.185 1.00 0.00 C ATOM 104 O SER A 8 43.652 -4.837 -28.950 1.00 0.00 O ATOM 105 CB SER A 8 46.202 -3.864 -29.228 1.00 0.00 C ATOM 106 OG SER A 8 45.907 -5.237 -29.417 1.00 0.00 O ATOM 0 H SER A 8 44.322 -1.300 -28.597 1.00 0.00 H new ATOM 0 HA SER A 8 45.000 -2.887 -30.717 1.00 0.00 H new ATOM 0 HB2 SER A 8 47.078 -3.593 -29.817 1.00 0.00 H new ATOM 0 HB3 SER A 8 46.453 -3.684 -28.183 1.00 0.00 H new ATOM 0 HG SER A 8 45.118 -5.478 -28.888 1.00 0.00 H new ATOM 112 N GLY A 9 42.665 -2.819 -29.065 1.00 0.00 N ATOM 113 CA GLY A 9 41.375 -3.331 -28.642 1.00 0.00 C ATOM 114 C GLY A 9 40.248 -2.931 -29.576 1.00 0.00 C ATOM 115 O GLY A 9 39.227 -3.616 -29.653 1.00 0.00 O ATOM 0 H GLY A 9 42.688 -1.817 -29.253 1.00 0.00 H new ATOM 0 HA2 GLY A 9 41.423 -4.418 -28.583 1.00 0.00 H new ATOM 0 HA3 GLY A 9 41.156 -2.966 -27.639 1.00 0.00 H new ATOM 119 N VAL A 10 40.427 -1.820 -30.285 1.00 0.00 N ATOM 120 CA VAL A 10 39.410 -1.337 -31.211 1.00 0.00 C ATOM 121 C VAL A 10 40.034 -0.829 -32.508 1.00 0.00 C ATOM 122 O VAL A 10 40.510 0.304 -32.577 1.00 0.00 O ATOM 123 CB VAL A 10 38.572 -0.208 -30.584 1.00 0.00 C ATOM 124 CG1 VAL A 10 37.174 -0.185 -31.182 1.00 0.00 C ATOM 125 CG2 VAL A 10 38.510 -0.366 -29.072 1.00 0.00 C ATOM 0 H VAL A 10 41.264 -1.240 -30.236 1.00 0.00 H new ATOM 0 HA VAL A 10 38.762 -2.185 -31.433 1.00 0.00 H new ATOM 0 HB VAL A 10 39.053 0.744 -30.808 1.00 0.00 H new ATOM 0 HG11 VAL A 10 36.597 0.619 -30.726 1.00 0.00 H new ATOM 0 HG12 VAL A 10 37.241 -0.020 -32.257 1.00 0.00 H new ATOM 0 HG13 VAL A 10 36.681 -1.138 -30.991 1.00 0.00 H new ATOM 0 HG21 VAL A 10 37.914 0.441 -28.646 1.00 0.00 H new ATOM 0 HG22 VAL A 10 38.053 -1.324 -28.825 1.00 0.00 H new ATOM 0 HG23 VAL A 10 39.519 -0.328 -28.661 1.00 0.00 H new ATOM 135 N VAL A 11 40.024 -1.674 -33.534 1.00 0.00 N ATOM 136 CA VAL A 11 40.583 -1.312 -34.830 1.00 0.00 C ATOM 137 C VAL A 11 39.701 -0.290 -35.540 1.00 0.00 C ATOM 138 O VAL A 11 38.911 -0.638 -36.416 1.00 0.00 O ATOM 139 CB VAL A 11 40.748 -2.545 -35.738 1.00 0.00 C ATOM 140 CG1 VAL A 11 41.249 -2.134 -37.113 1.00 0.00 C ATOM 141 CG2 VAL A 11 41.687 -3.556 -35.099 1.00 0.00 C ATOM 0 H VAL A 11 39.634 -2.616 -33.492 1.00 0.00 H new ATOM 0 HA VAL A 11 41.564 -0.877 -34.640 1.00 0.00 H new ATOM 0 HB VAL A 11 39.773 -3.016 -35.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 41.359 -3.019 -37.740 1.00 0.00 H new ATOM 0 HG12 VAL A 11 40.534 -1.451 -37.572 1.00 0.00 H new ATOM 0 HG13 VAL A 11 42.214 -1.637 -37.015 1.00 0.00 H new ATOM 0 HG21 VAL A 11 41.792 -4.420 -35.755 1.00 0.00 H new ATOM 0 HG22 VAL A 11 42.664 -3.098 -34.944 1.00 0.00 H new ATOM 0 HG23 VAL A 11 41.280 -3.875 -34.140 1.00 0.00 H new ATOM 151 N TYR A 12 39.841 0.972 -35.149 1.00 0.00 N ATOM 152 CA TYR A 12 39.055 2.049 -35.741 1.00 0.00 C ATOM 153 C TYR A 12 39.382 2.219 -37.222 1.00 0.00 C ATOM 154 O TYR A 12 40.115 1.421 -37.805 1.00 0.00 O ATOM 155 CB TYR A 12 39.316 3.361 -35.001 1.00 0.00 C ATOM 156 CG TYR A 12 38.785 3.377 -33.590 1.00 0.00 C ATOM 157 CD1 TYR A 12 37.420 3.396 -33.342 1.00 0.00 C ATOM 158 CD2 TYR A 12 39.651 3.367 -32.506 1.00 0.00 C ATOM 159 CE1 TYR A 12 36.930 3.406 -32.050 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.171 3.377 -31.211 1.00 0.00 C ATOM 161 CZ TYR A 12 37.810 3.395 -30.987 1.00 0.00 C ATOM 162 OH TYR A 12 37.328 3.404 -29.699 1.00 0.00 O ATOM 0 H TYR A 12 40.492 1.275 -34.424 1.00 0.00 H new ATOM 0 HA TYR A 12 38.001 1.785 -35.649 1.00 0.00 H new ATOM 0 HB2 TYR A 12 40.390 3.547 -34.978 1.00 0.00 H new ATOM 0 HB3 TYR A 12 38.862 4.180 -35.560 1.00 0.00 H new ATOM 0 HD1 TYR A 12 36.729 3.403 -34.172 1.00 0.00 H new ATOM 0 HD2 TYR A 12 40.717 3.351 -32.678 1.00 0.00 H new ATOM 0 HE1 TYR A 12 35.865 3.422 -31.873 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.858 3.371 -30.378 1.00 0.00 H new ATOM 0 HH TYR A 12 37.806 4.081 -29.176 1.00 0.00 H new ATOM 172 N SER A 13 38.833 3.272 -37.819 1.00 0.00 N ATOM 173 CA SER A 13 39.061 3.562 -39.229 1.00 0.00 C ATOM 174 C SER A 13 39.199 5.063 -39.451 1.00 0.00 C ATOM 175 O SER A 13 38.443 5.852 -38.888 1.00 0.00 O ATOM 176 CB SER A 13 37.916 3.010 -40.079 1.00 0.00 C ATOM 177 OG SER A 13 38.108 1.635 -40.364 1.00 0.00 O ATOM 0 H SER A 13 38.225 3.940 -37.346 1.00 0.00 H new ATOM 0 HA SER A 13 39.989 3.078 -39.532 1.00 0.00 H new ATOM 0 HB2 SER A 13 36.971 3.147 -39.554 1.00 0.00 H new ATOM 0 HB3 SER A 13 37.847 3.571 -41.011 1.00 0.00 H new ATOM 0 HG SER A 13 38.836 1.284 -39.809 1.00 0.00 H new ATOM 183 N VAL A 14 40.172 5.446 -40.272 1.00 0.00 N ATOM 184 CA VAL A 14 40.421 6.852 -40.570 1.00 0.00 C ATOM 185 C VAL A 14 39.128 7.660 -40.586 1.00 0.00 C ATOM 186 O VAL A 14 38.495 7.819 -41.629 1.00 0.00 O ATOM 187 CB VAL A 14 41.133 7.022 -41.926 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.395 6.260 -43.016 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.256 8.495 -42.283 1.00 0.00 C ATOM 0 H VAL A 14 40.803 4.799 -40.745 1.00 0.00 H new ATOM 0 HA VAL A 14 41.066 7.227 -39.775 1.00 0.00 H new ATOM 0 HB VAL A 14 42.138 6.608 -41.843 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.912 6.392 -43.966 1.00 0.00 H new ATOM 0 HG12 VAL A 14 40.366 5.200 -42.763 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.377 6.641 -43.101 1.00 0.00 H new ATOM 0 HG21 VAL A 14 41.761 8.596 -43.244 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.262 8.938 -42.348 1.00 0.00 H new ATOM 0 HG23 VAL A 14 41.833 9.009 -41.514 1.00 0.00 H new ATOM 199 N GLY A 15 38.744 8.171 -39.421 1.00 0.00 N ATOM 200 CA GLY A 15 37.531 8.961 -39.317 1.00 0.00 C ATOM 201 C GLY A 15 36.406 8.222 -38.621 1.00 0.00 C ATOM 202 O GLY A 15 35.248 8.317 -39.030 1.00 0.00 O ATOM 0 H GLY A 15 39.253 8.052 -38.545 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.747 9.880 -38.772 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.205 9.251 -40.316 1.00 0.00 H new ATOM 206 N MET A 16 36.741 7.485 -37.568 1.00 0.00 N ATOM 207 CA MET A 16 35.743 6.731 -36.819 1.00 0.00 C ATOM 208 C MET A 16 35.425 7.409 -35.490 1.00 0.00 C ATOM 209 O MET A 16 34.315 7.289 -34.971 1.00 0.00 O ATOM 210 CB MET A 16 36.232 5.303 -36.572 1.00 0.00 C ATOM 211 CG MET A 16 35.744 4.306 -37.610 1.00 0.00 C ATOM 212 SD MET A 16 34.151 3.580 -37.181 1.00 0.00 S ATOM 213 CE MET A 16 34.672 2.180 -36.194 1.00 0.00 C ATOM 0 H MET A 16 37.693 7.394 -37.214 1.00 0.00 H new ATOM 0 HA MET A 16 34.830 6.699 -37.414 1.00 0.00 H new ATOM 0 HB2 MET A 16 37.322 5.298 -36.559 1.00 0.00 H new ATOM 0 HB3 MET A 16 35.900 4.980 -35.585 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.664 4.804 -38.576 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.483 3.512 -37.721 1.00 0.00 H new ATOM 0 HE1 MET A 16 33.934 1.989 -35.415 1.00 0.00 H new ATOM 0 HE2 MET A 16 34.764 1.300 -36.831 1.00 0.00 H new ATOM 0 HE3 MET A 16 35.636 2.398 -35.734 1.00 0.00 H new ATOM 223 N GLN A 17 36.406 8.121 -34.941 1.00 0.00 N ATOM 224 CA GLN A 17 36.225 8.814 -33.670 1.00 0.00 C ATOM 225 C GLN A 17 35.801 7.838 -32.577 1.00 0.00 C ATOM 226 O GLN A 17 35.182 6.811 -32.858 1.00 0.00 O ATOM 227 CB GLN A 17 35.181 9.924 -33.812 1.00 0.00 C ATOM 228 CG GLN A 17 35.733 11.207 -34.412 1.00 0.00 C ATOM 229 CD GLN A 17 34.979 12.438 -33.949 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.850 12.685 -34.375 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.600 13.218 -33.072 1.00 0.00 N ATOM 0 H GLN A 17 37.331 8.233 -35.355 1.00 0.00 H new ATOM 0 HA GLN A 17 37.179 9.259 -33.388 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.363 9.564 -34.436 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.761 10.143 -32.831 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.784 11.307 -34.143 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.687 11.145 -35.499 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.535 12.975 -32.746 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.142 14.060 -32.724 1.00 0.00 H new ATOM 240 N TRP A 18 36.138 8.161 -31.334 1.00 0.00 N ATOM 241 CA TRP A 18 35.788 7.307 -30.205 1.00 0.00 C ATOM 242 C TRP A 18 36.157 7.969 -28.881 1.00 0.00 C ATOM 243 O TRP A 18 36.642 9.101 -28.854 1.00 0.00 O ATOM 244 CB TRP A 18 36.494 5.958 -30.329 1.00 0.00 C ATOM 245 CG TRP A 18 37.963 6.039 -30.061 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.573 6.009 -28.842 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.007 6.172 -31.033 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.931 6.111 -28.994 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.223 6.215 -30.329 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.033 6.260 -32.428 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.452 6.341 -30.970 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.254 6.383 -33.065 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.449 6.425 -32.335 1.00 0.00 C ATOM 0 H TRP A 18 36.652 9.006 -31.083 1.00 0.00 H new ATOM 0 HA TRP A 18 34.709 7.151 -30.219 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.042 5.252 -29.632 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.335 5.562 -31.332 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.061 5.918 -27.895 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.614 6.110 -28.236 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.116 6.232 -32.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.375 6.371 -30.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.287 6.448 -34.143 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.387 6.526 -32.861 1.00 0.00 H new ATOM 264 N LEU A 19 35.923 7.256 -27.782 1.00 0.00 N ATOM 265 CA LEU A 19 36.226 7.771 -26.449 1.00 0.00 C ATOM 266 C LEU A 19 37.264 6.895 -25.763 1.00 0.00 C ATOM 267 O LEU A 19 36.958 5.790 -25.317 1.00 0.00 O ATOM 268 CB LEU A 19 34.960 7.833 -25.587 1.00 0.00 C ATOM 269 CG LEU A 19 33.839 8.727 -26.122 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.221 10.196 -26.013 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.513 8.362 -27.559 1.00 0.00 C ATOM 0 H LEU A 19 35.523 6.318 -27.788 1.00 0.00 H new ATOM 0 HA LEU A 19 36.625 8.779 -26.563 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.570 6.822 -25.472 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.236 8.183 -24.592 1.00 0.00 H new ATOM 0 HG LEU A 19 32.949 8.564 -25.514 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.409 10.813 -26.399 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.403 10.448 -24.968 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.125 10.381 -26.593 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.714 9.006 -27.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.400 8.495 -28.178 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.191 7.322 -27.606 1.00 0.00 H new ATOM 283 N LYS A 20 38.491 7.390 -25.683 1.00 0.00 N ATOM 284 CA LYS A 20 39.568 6.641 -25.051 1.00 0.00 C ATOM 285 C LYS A 20 39.612 6.902 -23.550 1.00 0.00 C ATOM 286 O LYS A 20 38.942 7.802 -23.043 1.00 0.00 O ATOM 287 CB LYS A 20 40.908 7.010 -25.681 1.00 0.00 C ATOM 288 CG LYS A 20 41.512 8.284 -25.123 1.00 0.00 C ATOM 289 CD LYS A 20 42.745 8.695 -25.904 1.00 0.00 C ATOM 290 CE LYS A 20 44.018 8.318 -25.167 1.00 0.00 C ATOM 291 NZ LYS A 20 44.892 7.428 -25.980 1.00 0.00 N ATOM 0 H LYS A 20 38.765 8.303 -26.046 1.00 0.00 H new ATOM 0 HA LYS A 20 39.376 5.580 -25.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.609 6.189 -25.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.775 7.122 -26.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.773 9.085 -25.157 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.774 8.137 -24.075 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.734 8.216 -26.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.727 9.771 -26.076 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.566 9.223 -24.905 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.761 7.819 -24.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.749 7.195 -25.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.379 6.553 -26.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.159 7.913 -26.860 1.00 0.00 H new ATOM 379 N GLN A 26 38.382 10.068 -18.589 1.00 0.00 N ATOM 380 CA GLN A 26 37.910 9.796 -19.941 1.00 0.00 C ATOM 381 C GLN A 26 38.474 10.816 -20.923 1.00 0.00 C ATOM 382 O GLN A 26 38.813 11.936 -20.541 1.00 0.00 O ATOM 383 CB GLN A 26 36.381 9.819 -19.986 1.00 0.00 C ATOM 384 CG GLN A 26 35.748 8.442 -19.872 1.00 0.00 C ATOM 385 CD GLN A 26 34.239 8.481 -20.009 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.629 9.550 -19.976 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.627 7.313 -20.163 1.00 0.00 N ATOM 0 HA GLN A 26 38.258 8.804 -20.230 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.011 10.448 -19.176 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.060 10.281 -20.920 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.162 7.791 -20.642 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.011 8.004 -18.909 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.172 6.451 -20.185 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.612 7.278 -20.260 1.00 0.00 H new ATOM 396 N MET A 27 38.575 10.424 -22.187 1.00 0.00 N ATOM 397 CA MET A 27 39.101 11.310 -23.217 1.00 0.00 C ATOM 398 C MET A 27 38.640 10.875 -24.603 1.00 0.00 C ATOM 399 O MET A 27 38.612 9.685 -24.913 1.00 0.00 O ATOM 400 CB MET A 27 40.629 11.338 -23.159 1.00 0.00 C ATOM 401 CG MET A 27 41.209 12.742 -23.149 1.00 0.00 C ATOM 402 SD MET A 27 42.383 13.018 -24.491 1.00 0.00 S ATOM 403 CE MET A 27 43.856 13.450 -23.568 1.00 0.00 C ATOM 0 H MET A 27 38.300 9.501 -22.523 1.00 0.00 H new ATOM 0 HA MET A 27 38.717 12.312 -23.029 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.961 10.810 -22.265 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.027 10.795 -24.016 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.398 13.466 -23.226 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.705 12.919 -22.195 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.674 13.650 -24.260 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.662 14.340 -22.969 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.130 12.623 -22.912 1.00 0.00 H new ATOM 413 N LEU A 28 38.285 11.848 -25.434 1.00 0.00 N ATOM 414 CA LEU A 28 37.834 11.569 -26.790 1.00 0.00 C ATOM 415 C LEU A 28 39.020 11.512 -27.742 1.00 0.00 C ATOM 416 O LEU A 28 39.724 12.504 -27.929 1.00 0.00 O ATOM 417 CB LEU A 28 36.854 12.643 -27.257 1.00 0.00 C ATOM 418 CG LEU A 28 36.556 12.617 -28.753 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.133 12.151 -29.001 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.788 13.987 -29.370 1.00 0.00 C ATOM 0 H LEU A 28 38.301 12.838 -25.191 1.00 0.00 H new ATOM 0 HA LEU A 28 37.330 10.603 -26.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.918 12.526 -26.710 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.255 13.622 -26.996 1.00 0.00 H new ATOM 0 HG LEU A 28 37.237 11.911 -29.228 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.936 12.138 -30.073 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.003 11.147 -28.596 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.437 12.832 -28.512 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.570 13.947 -30.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.133 14.716 -28.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.827 14.281 -29.223 1.00 0.00 H new ATOM 432 N CYS A 29 39.244 10.349 -28.340 1.00 0.00 N ATOM 433 CA CYS A 29 40.352 10.178 -29.267 1.00 0.00 C ATOM 434 C CYS A 29 39.851 9.936 -30.682 1.00 0.00 C ATOM 435 O CYS A 29 38.923 9.158 -30.904 1.00 0.00 O ATOM 436 CB CYS A 29 41.253 9.032 -28.815 1.00 0.00 C ATOM 437 SG CYS A 29 42.943 9.110 -29.493 1.00 0.00 S ATOM 0 H CYS A 29 38.675 9.514 -28.200 1.00 0.00 H new ATOM 0 HA CYS A 29 40.934 11.099 -29.270 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.308 9.034 -27.726 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.797 8.087 -29.109 1.00 0.00 H new ATOM 442 N THR A 30 40.471 10.620 -31.635 1.00 0.00 N ATOM 443 CA THR A 30 40.089 10.494 -33.037 1.00 0.00 C ATOM 444 C THR A 30 41.285 10.150 -33.913 1.00 0.00 C ATOM 445 O THR A 30 42.433 10.394 -33.542 1.00 0.00 O ATOM 446 CB THR A 30 39.449 11.790 -33.568 1.00 0.00 C ATOM 447 OG1 THR A 30 38.278 12.106 -32.806 1.00 0.00 O ATOM 448 CG2 THR A 30 39.082 11.649 -35.038 1.00 0.00 C ATOM 0 H THR A 30 41.240 11.268 -31.464 1.00 0.00 H new ATOM 0 HA THR A 30 39.360 9.685 -33.084 1.00 0.00 H new ATOM 0 HB THR A 30 40.176 12.596 -33.467 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.449 12.900 -32.257 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.632 12.577 -35.391 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.980 11.438 -35.619 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.371 10.832 -35.159 1.00 0.00 H new ATOM 456 N CYS A 31 41.004 9.594 -35.085 1.00 0.00 N ATOM 457 CA CYS A 31 42.052 9.229 -36.028 1.00 0.00 C ATOM 458 C CYS A 31 41.868 9.975 -37.342 1.00 0.00 C ATOM 459 O CYS A 31 40.992 9.644 -38.141 1.00 0.00 O ATOM 460 CB CYS A 31 42.059 7.721 -36.273 1.00 0.00 C ATOM 461 SG CYS A 31 40.433 7.004 -36.648 1.00 0.00 S ATOM 0 H CYS A 31 40.058 9.386 -35.405 1.00 0.00 H new ATOM 0 HA CYS A 31 43.012 9.512 -35.596 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.736 7.504 -37.100 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.465 7.225 -35.391 1.00 0.00 H new ATOM 466 N LEU A 32 42.693 10.992 -37.549 1.00 0.00 N ATOM 467 CA LEU A 32 42.620 11.803 -38.760 1.00 0.00 C ATOM 468 C LEU A 32 43.299 11.102 -39.936 1.00 0.00 C ATOM 469 O LEU A 32 42.700 10.242 -40.582 1.00 0.00 O ATOM 470 CB LEU A 32 43.259 13.174 -38.519 1.00 0.00 C ATOM 471 CG LEU A 32 44.399 13.189 -37.499 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.517 14.111 -37.960 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.884 13.615 -36.132 1.00 0.00 C ATOM 0 H LEU A 32 43.422 11.277 -36.894 1.00 0.00 H new ATOM 0 HA LEU A 32 41.568 11.941 -39.011 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.637 13.553 -39.468 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.485 13.865 -38.185 1.00 0.00 H new ATOM 0 HG LEU A 32 44.801 12.179 -37.417 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.319 14.108 -37.221 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.904 13.763 -38.917 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.130 15.124 -38.072 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.708 13.620 -35.418 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.456 14.615 -36.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.118 12.915 -35.797 1.00 0.00 H new ATOM 485 N GLY A 33 44.547 11.471 -40.215 1.00 0.00 N ATOM 486 CA GLY A 33 45.268 10.860 -41.317 1.00 0.00 C ATOM 487 C GLY A 33 46.723 10.602 -40.987 1.00 0.00 C ATOM 488 O GLY A 33 47.261 9.543 -41.311 1.00 0.00 O ATOM 0 H GLY A 33 45.069 12.179 -39.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 44.787 9.919 -41.584 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.207 11.509 -42.191 1.00 0.00 H new ATOM 492 N ASN A 34 47.360 11.570 -40.340 1.00 0.00 N ATOM 493 CA ASN A 34 48.762 11.440 -39.965 1.00 0.00 C ATOM 494 C ASN A 34 48.911 10.493 -38.780 1.00 0.00 C ATOM 495 O ASN A 34 49.939 9.833 -38.625 1.00 0.00 O ATOM 496 CB ASN A 34 49.351 12.807 -39.616 1.00 0.00 C ATOM 497 CG ASN A 34 48.541 13.538 -38.567 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.888 14.541 -38.855 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.580 13.035 -37.340 1.00 0.00 N ATOM 0 H ASN A 34 46.929 12.452 -40.064 1.00 0.00 H new ATOM 0 HA ASN A 34 49.306 11.029 -40.815 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.372 12.678 -39.257 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.405 13.416 -40.518 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.055 13.482 -36.589 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.135 12.201 -37.148 1.00 0.00 H new ATOM 506 N GLY A 35 47.876 10.429 -37.949 1.00 0.00 N ATOM 507 CA GLY A 35 47.910 9.558 -36.792 1.00 0.00 C ATOM 508 C GLY A 35 46.608 9.571 -36.017 1.00 0.00 C ATOM 509 O GLY A 35 45.529 9.476 -36.602 1.00 0.00 O ATOM 0 H GLY A 35 47.015 10.965 -38.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.127 8.540 -37.114 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.724 9.864 -36.134 1.00 0.00 H new ATOM 513 N VAL A 36 46.709 9.690 -34.698 1.00 0.00 N ATOM 514 CA VAL A 36 45.532 9.716 -33.841 1.00 0.00 C ATOM 515 C VAL A 36 45.685 10.769 -32.743 1.00 0.00 C ATOM 516 O VAL A 36 46.687 10.797 -32.030 1.00 0.00 O ATOM 517 CB VAL A 36 45.263 8.320 -33.220 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.660 8.426 -31.824 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.353 7.513 -34.123 1.00 0.00 C ATOM 0 H VAL A 36 47.595 9.770 -34.199 1.00 0.00 H new ATOM 0 HA VAL A 36 44.675 9.983 -34.459 1.00 0.00 H new ATOM 0 HB VAL A 36 46.222 7.811 -33.126 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.487 7.426 -31.425 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.347 8.963 -31.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.714 8.964 -31.876 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.171 6.535 -33.677 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.405 8.037 -34.247 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.827 7.385 -35.096 1.00 0.00 H new ATOM 529 N SER A 37 44.680 11.629 -32.616 1.00 0.00 N ATOM 530 CA SER A 37 44.696 12.681 -31.607 1.00 0.00 C ATOM 531 C SER A 37 43.472 12.584 -30.702 1.00 0.00 C ATOM 532 O SER A 37 42.371 12.281 -31.161 1.00 0.00 O ATOM 533 CB SER A 37 44.749 14.057 -32.274 1.00 0.00 C ATOM 534 OG SER A 37 44.608 15.094 -31.319 1.00 0.00 O ATOM 0 H SER A 37 43.844 11.618 -33.200 1.00 0.00 H new ATOM 0 HA SER A 37 45.588 12.550 -30.994 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.695 14.172 -32.803 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.957 14.134 -33.018 1.00 0.00 H new ATOM 0 HG SER A 37 44.647 15.963 -31.771 1.00 0.00 H new ATOM 540 N CYS A 38 43.675 12.837 -29.414 1.00 0.00 N ATOM 541 CA CYS A 38 42.591 12.774 -28.438 1.00 0.00 C ATOM 542 C CYS A 38 42.623 13.986 -27.514 1.00 0.00 C ATOM 543 O CYS A 38 43.691 14.486 -27.164 1.00 0.00 O ATOM 544 CB CYS A 38 42.693 11.492 -27.609 1.00 0.00 C ATOM 545 SG CYS A 38 43.948 10.305 -28.195 1.00 0.00 S ATOM 0 H CYS A 38 44.582 13.088 -29.020 1.00 0.00 H new ATOM 0 HA CYS A 38 41.647 12.774 -28.983 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.919 11.760 -26.577 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.721 11.000 -27.605 1.00 0.00 H new ATOM 550 N GLN A 39 41.442 14.451 -27.121 1.00 0.00 N ATOM 551 CA GLN A 39 41.331 15.602 -26.235 1.00 0.00 C ATOM 552 C GLN A 39 40.259 15.368 -25.176 1.00 0.00 C ATOM 553 O GLN A 39 39.300 14.630 -25.402 1.00 0.00 O ATOM 554 CB GLN A 39 41.005 16.861 -27.039 1.00 0.00 C ATOM 555 CG GLN A 39 42.236 17.603 -27.535 1.00 0.00 C ATOM 556 CD GLN A 39 41.888 18.782 -28.422 1.00 0.00 C ATOM 557 OE1 GLN A 39 42.235 18.808 -29.603 1.00 0.00 O ATOM 558 NE2 GLN A 39 41.198 19.765 -27.856 1.00 0.00 N ATOM 0 H GLN A 39 40.548 14.048 -27.403 1.00 0.00 H new ATOM 0 HA GLN A 39 42.289 15.739 -25.734 1.00 0.00 H new ATOM 0 HB2 GLN A 39 40.388 16.586 -27.894 1.00 0.00 H new ATOM 0 HB3 GLN A 39 40.411 17.533 -26.420 1.00 0.00 H new ATOM 0 HG2 GLN A 39 42.813 17.954 -26.680 1.00 0.00 H new ATOM 0 HG3 GLN A 39 42.873 16.913 -28.088 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.932 19.701 -26.873 1.00 0.00 H new ATOM 0 HE22 GLN A 39 40.934 20.584 -28.404 1.00 0.00 H new ATOM 636 N GLN A 45 30.094 18.270 -14.374 1.00 0.00 N ATOM 637 CA GLN A 45 29.207 17.800 -13.317 1.00 0.00 C ATOM 638 C GLN A 45 27.745 17.939 -13.730 1.00 0.00 C ATOM 639 O GLN A 45 27.370 18.893 -14.411 1.00 0.00 O ATOM 640 CB GLN A 45 29.457 18.581 -12.025 1.00 0.00 C ATOM 641 CG GLN A 45 30.921 18.906 -11.781 1.00 0.00 C ATOM 642 CD GLN A 45 31.268 18.967 -10.306 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.387 19.084 -9.454 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.557 18.887 -9.998 1.00 0.00 N ATOM 0 HA GLN A 45 29.420 16.745 -13.144 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.888 19.510 -12.057 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.077 18.003 -11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.542 18.153 -12.265 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.159 19.863 -12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.253 18.791 -10.737 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.851 18.922 -9.022 1.00 0.00 H new ATOM 653 N THR A 46 26.925 16.982 -13.309 1.00 0.00 N ATOM 654 CA THR A 46 25.504 16.996 -13.632 1.00 0.00 C ATOM 655 C THR A 46 24.673 17.395 -12.417 1.00 0.00 C ATOM 656 O THR A 46 24.959 16.977 -11.295 1.00 0.00 O ATOM 657 CB THR A 46 25.027 15.624 -14.140 1.00 0.00 C ATOM 658 OG1 THR A 46 25.498 14.587 -13.272 1.00 0.00 O ATOM 659 CG2 THR A 46 25.522 15.369 -15.556 1.00 0.00 C ATOM 0 H THR A 46 27.221 16.187 -12.743 1.00 0.00 H new ATOM 0 HA THR A 46 25.366 17.732 -14.424 1.00 0.00 H new ATOM 0 HB THR A 46 23.937 15.624 -14.146 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.924 13.883 -13.804 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.172 14.393 -15.893 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.137 16.142 -16.221 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.612 15.388 -15.570 1.00 0.00 H new ATOM 667 N TYR A 47 23.647 18.204 -12.648 1.00 0.00 N ATOM 668 CA TYR A 47 22.776 18.661 -11.569 1.00 0.00 C ATOM 669 C TYR A 47 21.323 18.726 -12.031 1.00 0.00 C ATOM 670 O TYR A 47 21.035 19.143 -13.153 1.00 0.00 O ATOM 671 CB TYR A 47 23.228 20.036 -11.073 1.00 0.00 C ATOM 672 CG TYR A 47 23.384 21.057 -12.176 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.278 21.535 -12.865 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.637 21.542 -12.529 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.415 22.468 -13.876 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.782 22.475 -13.538 1.00 0.00 C ATOM 677 CZ TYR A 47 23.668 22.934 -14.209 1.00 0.00 C ATOM 678 OH TYR A 47 23.807 23.862 -15.214 1.00 0.00 O ATOM 0 H TYR A 47 23.396 18.558 -13.571 1.00 0.00 H new ATOM 0 HA TYR A 47 22.845 17.944 -10.751 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.505 20.406 -10.346 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.179 19.930 -10.551 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.294 21.172 -12.607 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.512 21.184 -12.006 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.544 22.830 -14.402 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.763 22.843 -13.800 1.00 0.00 H new ATOM 0 HH TYR A 47 24.755 24.087 -15.323 1.00 0.00 H new ATOM 688 N GLY A 48 20.412 18.314 -11.156 1.00 0.00 N ATOM 689 CA GLY A 48 18.999 18.333 -11.488 1.00 0.00 C ATOM 690 C GLY A 48 18.720 17.798 -12.878 1.00 0.00 C ATOM 691 O GLY A 48 19.003 16.636 -13.171 1.00 0.00 O ATOM 0 H GLY A 48 20.627 17.967 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.450 17.739 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.626 19.354 -11.414 1.00 0.00 H new ATOM 695 N GLY A 49 18.165 18.647 -13.736 1.00 0.00 N ATOM 696 CA GLY A 49 17.856 18.233 -15.093 1.00 0.00 C ATOM 697 C GLY A 49 16.513 17.537 -15.194 1.00 0.00 C ATOM 698 O GLY A 49 15.493 18.076 -14.768 1.00 0.00 O ATOM 0 H GLY A 49 17.924 19.613 -13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.860 19.106 -15.746 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.637 17.563 -15.452 1.00 0.00 H new ATOM 702 N ASN A 50 16.515 16.335 -15.758 1.00 0.00 N ATOM 703 CA ASN A 50 15.290 15.561 -15.913 1.00 0.00 C ATOM 704 C ASN A 50 15.201 14.473 -14.847 1.00 0.00 C ATOM 705 O ASN A 50 14.124 13.944 -14.573 1.00 0.00 O ATOM 706 CB ASN A 50 15.233 14.939 -17.311 1.00 0.00 C ATOM 707 CG ASN A 50 14.289 13.754 -17.386 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.514 12.725 -16.747 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.227 13.891 -18.171 1.00 0.00 N ATOM 0 H ASN A 50 17.352 15.875 -16.116 1.00 0.00 H new ATOM 0 HA ASN A 50 14.440 16.232 -15.790 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.917 15.696 -18.029 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.234 14.620 -17.604 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.559 13.126 -18.263 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.080 14.761 -18.682 1.00 0.00 H new ATOM 716 N SER A 51 16.342 14.147 -14.248 1.00 0.00 N ATOM 717 CA SER A 51 16.395 13.124 -13.211 1.00 0.00 C ATOM 718 C SER A 51 16.809 13.724 -11.874 1.00 0.00 C ATOM 719 O SER A 51 16.009 13.811 -10.943 1.00 0.00 O ATOM 720 CB SER A 51 17.369 12.014 -13.608 1.00 0.00 C ATOM 721 OG SER A 51 17.464 11.031 -12.591 1.00 0.00 O ATOM 0 H SER A 51 17.242 14.577 -14.463 1.00 0.00 H new ATOM 0 HA SER A 51 15.396 12.701 -13.104 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.037 11.550 -14.537 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.354 12.441 -13.799 1.00 0.00 H new ATOM 0 HG SER A 51 18.091 10.332 -12.870 1.00 0.00 H new ATOM 727 N ASN A 52 18.067 14.136 -11.792 1.00 0.00 N ATOM 728 CA ASN A 52 18.609 14.730 -10.577 1.00 0.00 C ATOM 729 C ASN A 52 20.100 15.005 -10.738 1.00 0.00 C ATOM 730 O ASN A 52 20.635 15.950 -10.160 1.00 0.00 O ATOM 731 CB ASN A 52 18.378 13.807 -9.378 1.00 0.00 C ATOM 732 CG ASN A 52 18.584 14.517 -8.055 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.785 15.731 -8.013 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.537 13.762 -6.963 1.00 0.00 N ATOM 0 H ASN A 52 18.736 14.069 -12.559 1.00 0.00 H new ATOM 0 HA ASN A 52 18.092 15.673 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.364 13.409 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.057 12.957 -9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.670 14.185 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.368 12.759 -7.043 1.00 0.00 H new ATOM 741 N GLY A 53 20.762 14.168 -11.531 1.00 0.00 N ATOM 742 CA GLY A 53 22.185 14.332 -11.761 1.00 0.00 C ATOM 743 C GLY A 53 22.882 13.014 -12.034 1.00 0.00 C ATOM 744 O GLY A 53 23.881 12.687 -11.394 1.00 0.00 O ATOM 0 H GLY A 53 20.338 13.379 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.339 15.003 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.639 14.806 -10.891 1.00 0.00 H new ATOM 748 N GLU A 54 22.354 12.255 -12.989 1.00 0.00 N ATOM 749 CA GLU A 54 22.931 10.965 -13.346 1.00 0.00 C ATOM 750 C GLU A 54 24.129 11.138 -14.274 1.00 0.00 C ATOM 751 O GLU A 54 24.344 12.214 -14.832 1.00 0.00 O ATOM 752 CB GLU A 54 21.880 10.080 -14.010 1.00 0.00 C ATOM 753 CG GLU A 54 21.128 9.207 -13.023 1.00 0.00 C ATOM 754 CD GLU A 54 21.918 7.984 -12.602 1.00 0.00 C ATOM 755 OE1 GLU A 54 21.958 7.006 -13.378 1.00 0.00 O ATOM 756 OE2 GLU A 54 22.498 8.004 -11.496 1.00 0.00 O ATOM 0 H GLU A 54 21.528 12.511 -13.529 1.00 0.00 H new ATOM 0 HA GLU A 54 23.274 10.485 -12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.169 10.710 -14.545 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.364 9.445 -14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.880 9.796 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.186 8.890 -13.470 1.00 0.00 H new ATOM 763 N PRO A 55 24.924 10.073 -14.450 1.00 0.00 N ATOM 764 CA PRO A 55 26.106 10.102 -15.314 1.00 0.00 C ATOM 765 C PRO A 55 25.741 10.120 -16.794 1.00 0.00 C ATOM 766 O PRO A 55 24.916 9.328 -17.249 1.00 0.00 O ATOM 767 CB PRO A 55 26.835 8.806 -14.959 1.00 0.00 C ATOM 768 CG PRO A 55 25.762 7.887 -14.485 1.00 0.00 C ATOM 769 CD PRO A 55 24.729 8.756 -13.818 1.00 0.00 C ATOM 0 HA PRO A 55 26.704 11.000 -15.158 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.355 8.395 -15.824 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.585 8.972 -14.185 1.00 0.00 H new ATOM 0 HG2 PRO A 55 25.327 7.334 -15.318 1.00 0.00 H new ATOM 0 HG3 PRO A 55 26.160 7.151 -13.787 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.720 8.378 -13.983 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.880 8.802 -12.740 1.00 0.00 H new ATOM 777 N CYS A 56 26.358 11.030 -17.541 1.00 0.00 N ATOM 778 CA CYS A 56 26.098 11.150 -18.970 1.00 0.00 C ATOM 779 C CYS A 56 26.432 9.851 -19.697 1.00 0.00 C ATOM 780 O CYS A 56 27.383 9.155 -19.340 1.00 0.00 O ATOM 781 CB CYS A 56 26.910 12.302 -19.563 1.00 0.00 C ATOM 782 SG CYS A 56 26.810 13.853 -18.611 1.00 0.00 S ATOM 0 H CYS A 56 27.042 11.695 -17.180 1.00 0.00 H new ATOM 0 HA CYS A 56 25.036 11.356 -19.103 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.954 11.998 -19.632 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.565 12.490 -20.580 1.00 0.00 H new ATOM 787 N VAL A 57 25.647 9.534 -20.720 1.00 0.00 N ATOM 788 CA VAL A 57 25.860 8.322 -21.502 1.00 0.00 C ATOM 789 C VAL A 57 26.231 8.661 -22.940 1.00 0.00 C ATOM 790 O VAL A 57 25.523 8.296 -23.878 1.00 0.00 O ATOM 791 CB VAL A 57 24.610 7.425 -21.505 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.495 8.069 -22.312 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.944 6.045 -22.051 1.00 0.00 C ATOM 0 H VAL A 57 24.856 10.100 -21.028 1.00 0.00 H new ATOM 0 HA VAL A 57 26.681 7.781 -21.032 1.00 0.00 H new ATOM 0 HB VAL A 57 24.265 7.310 -20.478 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.619 7.421 -22.303 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.238 9.033 -21.873 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.828 8.216 -23.340 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.048 5.425 -22.045 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.315 6.138 -23.072 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.709 5.582 -21.428 1.00 0.00 H new ATOM 803 N LEU A 58 27.345 9.365 -23.105 1.00 0.00 N ATOM 804 CA LEU A 58 27.811 9.761 -24.429 1.00 0.00 C ATOM 805 C LEU A 58 28.927 8.840 -24.914 1.00 0.00 C ATOM 806 O LEU A 58 29.583 8.168 -24.119 1.00 0.00 O ATOM 807 CB LEU A 58 28.303 11.212 -24.408 1.00 0.00 C ATOM 808 CG LEU A 58 29.208 11.581 -23.231 1.00 0.00 C ATOM 809 CD1 LEU A 58 28.381 11.872 -21.989 1.00 0.00 C ATOM 810 CD2 LEU A 58 30.214 10.472 -22.961 1.00 0.00 C ATOM 0 H LEU A 58 27.943 9.673 -22.338 1.00 0.00 H new ATOM 0 HA LEU A 58 26.972 9.679 -25.120 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.842 11.408 -25.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.435 11.872 -24.398 1.00 0.00 H new ATOM 0 HG LEU A 58 29.759 12.485 -23.492 1.00 0.00 H new ATOM 0 HD11 LEU A 58 29.043 12.132 -21.164 1.00 0.00 H new ATOM 0 HD12 LEU A 58 27.705 12.704 -22.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.800 10.989 -21.723 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.849 10.753 -22.120 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.684 9.550 -22.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.831 10.317 -23.846 1.00 0.00 H new ATOM 822 N PRO A 59 29.148 8.796 -26.237 1.00 0.00 N ATOM 823 CA PRO A 59 28.378 9.585 -27.198 1.00 0.00 C ATOM 824 C PRO A 59 27.018 8.973 -27.512 1.00 0.00 C ATOM 825 O PRO A 59 26.912 7.781 -27.802 1.00 0.00 O ATOM 826 CB PRO A 59 29.264 9.572 -28.438 1.00 0.00 C ATOM 827 CG PRO A 59 30.000 8.280 -28.364 1.00 0.00 C ATOM 828 CD PRO A 59 30.178 7.974 -26.898 1.00 0.00 C ATOM 0 HA PRO A 59 28.152 10.581 -26.818 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.670 9.638 -29.350 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.950 10.419 -28.443 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.442 7.486 -28.861 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.965 8.354 -28.865 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.036 6.913 -26.691 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.179 8.235 -26.554 1.00 0.00 H new ATOM 836 N PHE A 60 25.982 9.802 -27.466 1.00 0.00 N ATOM 837 CA PHE A 60 24.626 9.351 -27.759 1.00 0.00 C ATOM 838 C PHE A 60 24.117 10.003 -29.039 1.00 0.00 C ATOM 839 O PHE A 60 24.825 10.786 -29.670 1.00 0.00 O ATOM 840 CB PHE A 60 23.686 9.677 -26.596 1.00 0.00 C ATOM 841 CG PHE A 60 23.876 11.057 -26.037 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.261 12.150 -26.629 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.667 11.264 -24.920 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.433 13.421 -26.117 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.843 12.533 -24.402 1.00 0.00 C ATOM 846 CZ PHE A 60 24.224 13.613 -25.001 1.00 0.00 C ATOM 0 H PHE A 60 26.055 10.791 -27.228 1.00 0.00 H new ATOM 0 HA PHE A 60 24.647 8.270 -27.897 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.655 9.569 -26.932 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.840 8.948 -25.801 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.640 12.005 -27.501 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.153 10.423 -24.447 1.00 0.00 H new ATOM 0 HE1 PHE A 60 22.950 14.264 -26.589 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.463 12.680 -23.530 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.358 14.606 -24.597 1.00 0.00 H new ATOM 856 N THR A 61 22.886 9.680 -29.416 1.00 0.00 N ATOM 857 CA THR A 61 22.292 10.240 -30.621 1.00 0.00 C ATOM 858 C THR A 61 21.056 11.063 -30.284 1.00 0.00 C ATOM 859 O THR A 61 20.074 10.543 -29.754 1.00 0.00 O ATOM 860 CB THR A 61 21.909 9.138 -31.626 1.00 0.00 C ATOM 861 OG1 THR A 61 22.762 8.000 -31.455 1.00 0.00 O ATOM 862 CG2 THR A 61 22.020 9.650 -33.055 1.00 0.00 C ATOM 0 H THR A 61 22.282 9.035 -28.906 1.00 0.00 H new ATOM 0 HA THR A 61 23.043 10.885 -31.078 1.00 0.00 H new ATOM 0 HB THR A 61 20.875 8.848 -31.438 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.511 7.303 -32.097 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.745 8.855 -33.749 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.349 10.498 -33.191 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.045 9.963 -33.251 1.00 0.00 H new ATOM 870 N TYR A 62 21.113 12.354 -30.591 1.00 0.00 N ATOM 871 CA TYR A 62 20.000 13.252 -30.317 1.00 0.00 C ATOM 872 C TYR A 62 19.759 14.197 -31.490 1.00 0.00 C ATOM 873 O TYR A 62 20.702 14.727 -32.078 1.00 0.00 O ATOM 874 CB TYR A 62 20.269 14.059 -29.047 1.00 0.00 C ATOM 875 CG TYR A 62 19.247 15.142 -28.789 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.921 14.823 -28.526 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.608 16.483 -28.813 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.983 15.810 -28.292 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.675 17.476 -28.580 1.00 0.00 C ATOM 880 CZ TYR A 62 17.365 17.135 -28.320 1.00 0.00 C ATOM 881 OH TYR A 62 16.434 18.120 -28.088 1.00 0.00 O ATOM 0 H TYR A 62 21.918 12.801 -31.030 1.00 0.00 H new ATOM 0 HA TYR A 62 19.106 12.645 -30.173 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.291 13.381 -28.194 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.257 14.513 -29.118 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.618 13.787 -28.504 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.633 16.754 -29.017 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.956 15.545 -28.088 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.971 18.514 -28.602 1.00 0.00 H new ATOM 0 HH TYR A 62 15.740 17.779 -27.486 1.00 0.00 H new ATOM 891 N ASN A 63 18.490 14.406 -31.821 1.00 0.00 N ATOM 892 CA ASN A 63 18.122 15.290 -32.919 1.00 0.00 C ATOM 893 C ASN A 63 18.589 14.727 -34.259 1.00 0.00 C ATOM 894 O ASN A 63 18.509 15.401 -35.286 1.00 0.00 O ATOM 895 CB ASN A 63 18.715 16.682 -32.698 1.00 0.00 C ATOM 896 CG ASN A 63 17.855 17.776 -33.298 1.00 0.00 C ATOM 897 OD1 ASN A 63 17.321 18.643 -32.447 1.00 0.00 O flip ATOM 898 ND2 ASN A 63 17.672 17.841 -34.514 1.00 0.00 N flip ATOM 0 H ASN A 63 17.698 13.975 -31.344 1.00 0.00 H new ATOM 0 HA ASN A 63 17.035 15.365 -32.943 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.831 16.859 -31.629 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.711 16.724 -33.138 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.102 17.153 -35.132 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.090 18.583 -34.903 1.00 0.00 H new ATOM 905 N GLY A 64 19.072 13.488 -34.242 1.00 0.00 N ATOM 906 CA GLY A 64 19.537 12.859 -35.465 1.00 0.00 C ATOM 907 C GLY A 64 21.048 12.794 -35.553 1.00 0.00 C ATOM 908 O GLY A 64 21.598 12.062 -36.376 1.00 0.00 O ATOM 0 H GLY A 64 19.149 12.910 -33.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.130 11.850 -35.527 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.151 13.411 -36.322 1.00 0.00 H new ATOM 912 N ARG A 65 21.725 13.560 -34.703 1.00 0.00 N ATOM 913 CA ARG A 65 23.181 13.581 -34.693 1.00 0.00 C ATOM 914 C ARG A 65 23.725 12.832 -33.484 1.00 0.00 C ATOM 915 O ARG A 65 23.037 11.997 -32.899 1.00 0.00 O ATOM 916 CB ARG A 65 23.696 15.023 -34.689 1.00 0.00 C ATOM 917 CG ARG A 65 23.437 15.764 -33.388 1.00 0.00 C ATOM 918 CD ARG A 65 23.525 17.267 -33.584 1.00 0.00 C ATOM 919 NE ARG A 65 22.674 17.714 -34.678 1.00 0.00 N ATOM 920 CZ ARG A 65 22.729 18.930 -35.212 1.00 0.00 C ATOM 921 NH1 ARG A 65 23.598 19.820 -34.754 1.00 0.00 N ATOM 922 NH2 ARG A 65 21.917 19.255 -36.210 1.00 0.00 N ATOM 0 H ARG A 65 21.288 14.173 -34.014 1.00 0.00 H new ATOM 0 HA ARG A 65 23.532 13.083 -35.597 1.00 0.00 H new ATOM 0 HB2 ARG A 65 24.768 15.016 -34.885 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.226 15.569 -35.507 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.450 15.502 -33.008 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.162 15.450 -32.637 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.232 17.773 -32.664 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.558 17.548 -33.787 1.00 0.00 H new ATOM 0 HE ARG A 65 21.995 17.054 -35.057 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.227 19.572 -33.990 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.638 20.752 -35.166 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.250 18.571 -36.568 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.960 20.188 -36.619 1.00 0.00 H new ATOM 936 N THR A 66 24.962 13.136 -33.113 1.00 0.00 N ATOM 937 CA THR A 66 25.595 12.488 -31.973 1.00 0.00 C ATOM 938 C THR A 66 26.422 13.483 -31.168 1.00 0.00 C ATOM 939 O THR A 66 26.959 14.446 -31.715 1.00 0.00 O ATOM 940 CB THR A 66 26.499 11.323 -32.416 1.00 0.00 C ATOM 941 OG1 THR A 66 25.814 10.504 -33.372 1.00 0.00 O ATOM 942 CG2 THR A 66 26.912 10.479 -31.220 1.00 0.00 C ATOM 0 H THR A 66 25.546 13.827 -33.585 1.00 0.00 H new ATOM 0 HA THR A 66 24.794 12.094 -31.348 1.00 0.00 H new ATOM 0 HB THR A 66 27.395 11.740 -32.876 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.397 9.767 -33.649 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.550 9.661 -31.555 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.459 11.098 -30.509 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.023 10.072 -30.738 1.00 0.00 H new ATOM 950 N PHE A 67 26.518 13.245 -29.865 1.00 0.00 N ATOM 951 CA PHE A 67 27.278 14.121 -28.982 1.00 0.00 C ATOM 952 C PHE A 67 28.116 13.306 -28.001 1.00 0.00 C ATOM 953 O PHE A 67 27.580 12.551 -27.190 1.00 0.00 O ATOM 954 CB PHE A 67 26.331 15.054 -28.226 1.00 0.00 C ATOM 955 CG PHE A 67 25.208 15.583 -29.075 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.229 14.730 -29.565 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.129 16.932 -29.381 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.196 15.214 -30.345 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.098 17.421 -30.160 1.00 0.00 C ATOM 960 CZ PHE A 67 23.130 16.562 -30.642 1.00 0.00 C ATOM 0 H PHE A 67 26.079 12.452 -29.397 1.00 0.00 H new ATOM 0 HA PHE A 67 27.955 14.722 -29.590 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.911 14.520 -27.373 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.901 15.893 -27.827 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.275 13.676 -29.334 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.882 17.609 -29.006 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.441 14.540 -30.722 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.049 18.475 -30.392 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.323 16.943 -31.250 1.00 0.00 H new ATOM 970 N TYR A 68 29.434 13.459 -28.093 1.00 0.00 N ATOM 971 CA TYR A 68 30.358 12.734 -27.230 1.00 0.00 C ATOM 972 C TYR A 68 30.482 13.391 -25.857 1.00 0.00 C ATOM 973 O TYR A 68 31.351 13.026 -25.064 1.00 0.00 O ATOM 974 CB TYR A 68 31.733 12.663 -27.894 1.00 0.00 C ATOM 975 CG TYR A 68 31.817 11.648 -29.013 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.935 11.684 -30.085 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.778 10.653 -28.991 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.012 10.751 -31.103 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.866 9.718 -30.001 1.00 0.00 C ATOM 980 CZ TYR A 68 31.980 9.770 -31.057 1.00 0.00 C ATOM 981 OH TYR A 68 32.061 8.839 -32.067 1.00 0.00 O ATOM 0 H TYR A 68 29.887 14.083 -28.761 1.00 0.00 H new ATOM 0 HA TYR A 68 29.962 11.729 -27.085 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.987 13.647 -28.288 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.480 12.420 -27.138 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.177 12.452 -30.124 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.474 10.608 -28.166 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.318 10.791 -31.929 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.624 8.950 -29.965 1.00 0.00 H new ATOM 0 HH TYR A 68 32.798 8.219 -31.883 1.00 0.00 H new ATOM 991 N SER A 69 29.614 14.356 -25.577 1.00 0.00 N ATOM 992 CA SER A 69 29.640 15.051 -24.295 1.00 0.00 C ATOM 993 C SER A 69 28.445 15.986 -24.155 1.00 0.00 C ATOM 994 O SER A 69 27.704 16.212 -25.113 1.00 0.00 O ATOM 995 CB SER A 69 30.940 15.844 -24.147 1.00 0.00 C ATOM 996 OG SER A 69 31.856 15.520 -25.179 1.00 0.00 O ATOM 0 H SER A 69 28.886 14.674 -26.217 1.00 0.00 H new ATOM 0 HA SER A 69 29.586 14.301 -23.505 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.723 16.912 -24.171 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.390 15.632 -23.177 1.00 0.00 H new ATOM 0 HG SER A 69 32.139 14.586 -25.084 1.00 0.00 H new ATOM 1002 N CYS A 70 28.265 16.531 -22.956 1.00 0.00 N ATOM 1003 CA CYS A 70 27.163 17.444 -22.692 1.00 0.00 C ATOM 1004 C CYS A 70 26.947 18.371 -23.881 1.00 0.00 C ATOM 1005 O CYS A 70 27.864 18.607 -24.668 1.00 0.00 O ATOM 1006 CB CYS A 70 27.443 18.265 -21.432 1.00 0.00 C ATOM 1007 SG CYS A 70 28.181 17.313 -20.064 1.00 0.00 S ATOM 0 H CYS A 70 28.869 16.355 -22.153 1.00 0.00 H new ATOM 0 HA CYS A 70 26.258 16.857 -22.535 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.111 19.087 -21.689 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.509 18.710 -21.087 1.00 0.00 H new ATOM 1012 N THR A 71 25.733 18.891 -24.015 1.00 0.00 N ATOM 1013 CA THR A 71 25.412 19.786 -25.119 1.00 0.00 C ATOM 1014 C THR A 71 24.173 20.620 -24.823 1.00 0.00 C ATOM 1015 O THR A 71 23.515 20.439 -23.798 1.00 0.00 O ATOM 1016 CB THR A 71 25.179 19.003 -26.425 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.050 19.914 -27.524 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.929 18.142 -26.322 1.00 0.00 C ATOM 0 H THR A 71 24.959 18.709 -23.377 1.00 0.00 H new ATOM 0 HA THR A 71 26.270 20.448 -25.239 1.00 0.00 H new ATOM 0 HB THR A 71 26.036 18.351 -26.593 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.048 19.413 -28.366 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.784 17.598 -27.255 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.042 17.432 -25.502 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.064 18.778 -26.134 1.00 0.00 H new ATOM 1026 N THR A 72 23.864 21.534 -25.735 1.00 0.00 N ATOM 1027 CA THR A 72 22.704 22.405 -25.593 1.00 0.00 C ATOM 1028 C THR A 72 21.922 22.469 -26.901 1.00 0.00 C ATOM 1029 O THR A 72 22.009 23.451 -27.639 1.00 0.00 O ATOM 1030 CB THR A 72 23.120 23.829 -25.182 1.00 0.00 C ATOM 1031 OG1 THR A 72 24.372 24.171 -25.791 1.00 0.00 O ATOM 1032 CG2 THR A 72 23.241 23.944 -23.669 1.00 0.00 C ATOM 0 H THR A 72 24.404 21.691 -26.586 1.00 0.00 H new ATOM 0 HA THR A 72 22.074 21.984 -24.809 1.00 0.00 H new ATOM 0 HB THR A 72 22.349 24.519 -25.523 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.628 25.079 -25.525 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.536 24.959 -23.404 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.280 23.713 -23.209 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.993 23.242 -23.310 1.00 0.00 H new ATOM 1040 N GLU A 73 21.171 21.410 -27.190 1.00 0.00 N ATOM 1041 CA GLU A 73 20.386 21.341 -28.418 1.00 0.00 C ATOM 1042 C GLU A 73 18.949 20.906 -28.141 1.00 0.00 C ATOM 1043 O GLU A 73 18.196 20.606 -29.069 1.00 0.00 O ATOM 1044 CB GLU A 73 21.034 20.360 -29.396 1.00 0.00 C ATOM 1045 CG GLU A 73 22.209 20.942 -30.164 1.00 0.00 C ATOM 1046 CD GLU A 73 21.889 21.180 -31.628 1.00 0.00 C ATOM 1047 OE1 GLU A 73 21.046 20.442 -32.178 1.00 0.00 O ATOM 1048 OE2 GLU A 73 22.483 22.104 -32.222 1.00 0.00 O ATOM 0 H GLU A 73 21.090 20.589 -26.591 1.00 0.00 H new ATOM 0 HA GLU A 73 20.363 22.340 -28.854 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.372 19.482 -28.845 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.281 20.020 -30.107 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.509 21.884 -29.704 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.060 20.265 -30.087 1.00 0.00 H new ATOM 1055 N GLY A 74 18.572 20.863 -26.869 1.00 0.00 N ATOM 1056 CA GLY A 74 17.224 20.452 -26.518 1.00 0.00 C ATOM 1057 C GLY A 74 16.759 20.996 -25.181 1.00 0.00 C ATOM 1058 O GLY A 74 15.977 20.349 -24.481 1.00 0.00 O ATOM 0 H GLY A 74 19.170 21.103 -26.078 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.536 20.784 -27.296 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.178 19.363 -26.495 1.00 0.00 H new ATOM 1122 N HIS A 79 21.502 25.681 -20.924 1.00 0.00 N ATOM 1123 CA HIS A 79 22.178 24.797 -19.976 1.00 0.00 C ATOM 1124 C HIS A 79 22.599 23.493 -20.646 1.00 0.00 C ATOM 1125 O HIS A 79 21.829 22.892 -21.395 1.00 0.00 O ATOM 1126 CB HIS A 79 21.271 24.491 -18.782 1.00 0.00 C ATOM 1127 CG HIS A 79 20.553 25.694 -18.258 1.00 0.00 C ATOM 1128 ND1 HIS A 79 21.001 26.981 -18.460 1.00 0.00 N ATOM 1129 CD2 HIS A 79 19.395 25.804 -17.564 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.150 27.831 -17.919 1.00 0.00 C ATOM 1131 NE2 HIS A 79 19.168 27.145 -17.367 1.00 0.00 N ATOM 0 HA HIS A 79 23.071 25.313 -19.624 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.539 23.739 -19.075 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.870 24.057 -17.981 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.768 24.991 -17.229 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.242 28.907 -17.927 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.370 27.545 -16.874 1.00 0.00 H new ATOM 1140 N LEU A 80 23.822 23.058 -20.364 1.00 0.00 N ATOM 1141 CA LEU A 80 24.341 21.822 -20.931 1.00 0.00 C ATOM 1142 C LEU A 80 23.615 20.622 -20.337 1.00 0.00 C ATOM 1143 O LEU A 80 23.171 20.661 -19.189 1.00 0.00 O ATOM 1144 CB LEU A 80 25.843 21.709 -20.665 1.00 0.00 C ATOM 1145 CG LEU A 80 26.729 22.571 -21.565 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.153 23.971 -21.699 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.147 22.625 -21.016 1.00 0.00 C ATOM 0 H LEU A 80 24.472 23.544 -19.746 1.00 0.00 H new ATOM 0 HA LEU A 80 24.173 21.836 -22.008 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.034 21.981 -19.627 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.139 20.666 -20.781 1.00 0.00 H new ATOM 0 HG LEU A 80 26.759 22.119 -22.556 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.797 24.569 -22.343 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.156 23.914 -22.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.092 24.435 -20.715 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.766 23.242 -21.667 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.133 23.055 -20.014 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.559 21.617 -20.973 1.00 0.00 H new ATOM 1159 N TRP A 81 23.494 19.556 -21.119 1.00 0.00 N ATOM 1160 CA TRP A 81 22.815 18.354 -20.655 1.00 0.00 C ATOM 1161 C TRP A 81 23.305 17.118 -21.400 1.00 0.00 C ATOM 1162 O TRP A 81 23.902 17.217 -22.471 1.00 0.00 O ATOM 1163 CB TRP A 81 21.302 18.498 -20.831 1.00 0.00 C ATOM 1164 CG TRP A 81 20.884 18.640 -22.262 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.842 19.793 -22.991 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.447 17.594 -23.138 1.00 0.00 C ATOM 1167 NE1 TRP A 81 20.407 19.529 -24.266 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.157 18.186 -24.382 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.273 16.214 -22.993 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.705 17.447 -25.472 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 19.823 15.483 -24.075 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.543 16.100 -25.300 1.00 0.00 C ATOM 0 H TRP A 81 23.855 19.500 -22.071 1.00 0.00 H new ATOM 0 HA TRP A 81 23.046 18.230 -19.597 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.808 17.627 -20.400 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.959 19.368 -20.271 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.112 20.770 -22.619 1.00 0.00 H new ATOM 0 HE1 TRP A 81 20.289 20.220 -25.007 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.487 15.729 -22.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.490 17.920 -26.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.685 14.417 -23.974 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.192 15.500 -26.126 1.00 0.00 H new ATOM 1183 N CYS A 82 23.037 15.955 -20.821 1.00 0.00 N ATOM 1184 CA CYS A 82 23.433 14.686 -21.413 1.00 0.00 C ATOM 1185 C CYS A 82 22.357 13.634 -21.168 1.00 0.00 C ATOM 1186 O CYS A 82 21.289 13.942 -20.644 1.00 0.00 O ATOM 1187 CB CYS A 82 24.767 14.217 -20.828 1.00 0.00 C ATOM 1188 SG CYS A 82 24.966 14.578 -19.053 1.00 0.00 S ATOM 0 H CYS A 82 22.542 15.866 -19.934 1.00 0.00 H new ATOM 0 HA CYS A 82 23.553 14.827 -22.487 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.862 13.142 -20.982 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.580 14.691 -21.378 1.00 0.00 H new ATOM 1193 N SER A 83 22.644 12.394 -21.540 1.00 0.00 N ATOM 1194 CA SER A 83 21.692 11.307 -21.348 1.00 0.00 C ATOM 1195 C SER A 83 22.161 10.371 -20.239 1.00 0.00 C ATOM 1196 O SER A 83 23.349 10.065 -20.138 1.00 0.00 O ATOM 1197 CB SER A 83 21.499 10.528 -22.650 1.00 0.00 C ATOM 1198 OG SER A 83 20.724 9.364 -22.433 1.00 0.00 O ATOM 0 H SER A 83 23.524 12.116 -21.975 1.00 0.00 H new ATOM 0 HA SER A 83 20.735 11.740 -21.055 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.010 11.163 -23.389 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.470 10.252 -23.060 1.00 0.00 H new ATOM 0 HG SER A 83 20.996 8.667 -23.066 1.00 0.00 H new ATOM 1204 N THR A 84 21.228 9.926 -19.402 1.00 0.00 N ATOM 1205 CA THR A 84 21.565 9.033 -18.300 1.00 0.00 C ATOM 1206 C THR A 84 21.688 7.586 -18.768 1.00 0.00 C ATOM 1207 O THR A 84 22.064 6.706 -17.994 1.00 0.00 O ATOM 1208 CB THR A 84 20.526 9.112 -17.166 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.500 8.135 -17.370 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.907 10.500 -17.095 1.00 0.00 C ATOM 0 H THR A 84 20.239 10.168 -19.466 1.00 0.00 H new ATOM 0 HA THR A 84 22.530 9.366 -17.918 1.00 0.00 H new ATOM 0 HB THR A 84 21.035 8.910 -16.223 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.201 7.789 -16.503 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.176 10.532 -16.287 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.688 11.237 -16.908 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.413 10.727 -18.040 1.00 0.00 H new ATOM 1218 N THR A 85 21.377 7.344 -20.038 1.00 0.00 N ATOM 1219 CA THR A 85 21.466 6.000 -20.596 1.00 0.00 C ATOM 1220 C THR A 85 21.452 6.033 -22.124 1.00 0.00 C ATOM 1221 O THR A 85 21.173 7.066 -22.729 1.00 0.00 O ATOM 1222 CB THR A 85 20.328 5.091 -20.072 1.00 0.00 C ATOM 1223 OG1 THR A 85 20.786 3.737 -19.993 1.00 0.00 O ATOM 1224 CG2 THR A 85 19.090 5.155 -20.960 1.00 0.00 C ATOM 0 H THR A 85 21.063 8.057 -20.696 1.00 0.00 H new ATOM 0 HA THR A 85 22.416 5.580 -20.267 1.00 0.00 H new ATOM 0 HB THR A 85 20.050 5.453 -19.082 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.063 3.166 -19.659 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.317 4.502 -20.555 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.719 6.179 -20.993 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.348 4.830 -21.968 1.00 0.00 H new ATOM 1232 N SER A 86 21.759 4.895 -22.738 1.00 0.00 N ATOM 1233 CA SER A 86 21.788 4.796 -24.192 1.00 0.00 C ATOM 1234 C SER A 86 20.457 5.222 -24.800 1.00 0.00 C ATOM 1235 O SER A 86 20.356 6.279 -25.424 1.00 0.00 O ATOM 1236 CB SER A 86 22.119 3.364 -24.620 1.00 0.00 C ATOM 1237 OG SER A 86 22.165 2.496 -23.502 1.00 0.00 O ATOM 0 H SER A 86 21.991 4.029 -22.251 1.00 0.00 H new ATOM 0 HA SER A 86 22.563 5.469 -24.557 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.370 3.010 -25.328 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.079 3.348 -25.137 1.00 0.00 H new ATOM 0 HG SER A 86 22.376 1.587 -23.802 1.00 0.00 H new ATOM 1243 N ASN A 87 19.439 4.389 -24.616 1.00 0.00 N ATOM 1244 CA ASN A 87 18.113 4.673 -25.150 1.00 0.00 C ATOM 1245 C ASN A 87 17.466 5.849 -24.425 1.00 0.00 C ATOM 1246 O ASN A 87 16.641 5.661 -23.531 1.00 0.00 O ATOM 1247 CB ASN A 87 17.223 3.436 -25.032 1.00 0.00 C ATOM 1248 CG ASN A 87 16.724 2.951 -26.379 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.947 3.595 -27.405 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.045 1.810 -26.383 1.00 0.00 N ATOM 0 H ASN A 87 19.507 3.511 -24.101 1.00 0.00 H new ATOM 0 HA ASN A 87 18.223 4.940 -26.201 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.781 2.636 -24.545 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.370 3.665 -24.393 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.685 1.434 -27.260 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.884 1.309 -25.509 1.00 0.00 H new ATOM 1257 N TYR A 88 17.838 7.062 -24.820 1.00 0.00 N ATOM 1258 CA TYR A 88 17.285 8.264 -24.211 1.00 0.00 C ATOM 1259 C TYR A 88 15.923 8.589 -24.809 1.00 0.00 C ATOM 1260 O TYR A 88 15.030 9.082 -24.119 1.00 0.00 O ATOM 1261 CB TYR A 88 18.235 9.445 -24.402 1.00 0.00 C ATOM 1262 CG TYR A 88 17.568 10.792 -24.244 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.222 11.275 -22.988 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.290 11.583 -25.350 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.616 12.508 -22.839 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.684 12.817 -25.210 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.350 13.275 -23.953 1.00 0.00 C ATOM 1268 OH TYR A 88 15.747 14.504 -23.809 1.00 0.00 O ATOM 0 H TYR A 88 18.519 7.238 -25.558 1.00 0.00 H new ATOM 0 HA TYR A 88 17.163 8.080 -23.144 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.049 9.366 -23.681 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.681 9.384 -25.395 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.430 10.677 -22.113 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.552 11.228 -26.336 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.352 12.868 -21.856 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.473 13.420 -26.081 1.00 0.00 H new ATOM 0 HH TYR A 88 15.631 14.917 -24.690 1.00 0.00 H new ATOM 1278 N GLU A 89 15.769 8.305 -26.096 1.00 0.00 N ATOM 1279 CA GLU A 89 14.515 8.562 -26.789 1.00 0.00 C ATOM 1280 C GLU A 89 13.421 7.621 -26.292 1.00 0.00 C ATOM 1281 O GLU A 89 12.252 7.770 -26.648 1.00 0.00 O ATOM 1282 CB GLU A 89 14.698 8.403 -28.299 1.00 0.00 C ATOM 1283 CG GLU A 89 15.501 9.526 -28.935 1.00 0.00 C ATOM 1284 CD GLU A 89 16.506 9.020 -29.953 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.097 8.733 -31.098 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.700 8.910 -29.604 1.00 0.00 O ATOM 0 H GLU A 89 16.498 7.896 -26.681 1.00 0.00 H new ATOM 0 HA GLU A 89 14.213 9.588 -26.577 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.195 7.454 -28.499 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.717 8.355 -28.773 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.820 10.226 -29.419 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.026 10.079 -28.156 1.00 0.00 H new ATOM 1293 N GLN A 90 13.808 6.653 -25.466 1.00 0.00 N ATOM 1294 CA GLN A 90 12.860 5.690 -24.919 1.00 0.00 C ATOM 1295 C GLN A 90 12.590 5.972 -23.446 1.00 0.00 C ATOM 1296 O GLN A 90 11.439 6.074 -23.021 1.00 0.00 O ATOM 1297 CB GLN A 90 13.389 4.265 -25.089 1.00 0.00 C ATOM 1298 CG GLN A 90 12.730 3.258 -24.161 1.00 0.00 C ATOM 1299 CD GLN A 90 11.216 3.295 -24.242 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.633 4.256 -24.744 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.570 2.246 -23.746 1.00 0.00 N ATOM 0 H GLN A 90 14.772 6.516 -25.161 1.00 0.00 H new ATOM 0 HA GLN A 90 11.924 5.788 -25.468 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.236 3.950 -26.121 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.464 4.262 -24.911 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.079 2.256 -24.411 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.040 3.457 -23.135 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.093 1.471 -23.339 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.551 2.216 -23.772 1.00 0.00 H new ATOM 1310 N ASP A 91 13.660 6.100 -22.674 1.00 0.00 N ATOM 1311 CA ASP A 91 13.546 6.376 -21.246 1.00 0.00 C ATOM 1312 C ASP A 91 13.209 7.843 -21.008 1.00 0.00 C ATOM 1313 O ASP A 91 12.588 8.195 -20.005 1.00 0.00 O ATOM 1314 CB ASP A 91 14.849 6.017 -20.529 1.00 0.00 C ATOM 1315 CG ASP A 91 14.785 4.657 -19.859 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.704 4.034 -19.883 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.817 4.218 -19.309 1.00 0.00 O ATOM 0 H ASP A 91 14.619 6.017 -23.012 1.00 0.00 H new ATOM 0 HA ASP A 91 12.740 5.763 -20.843 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.670 6.027 -21.246 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.070 6.778 -19.780 1.00 0.00 H new ATOM 1322 N GLN A 92 13.623 8.692 -21.941 1.00 0.00 N ATOM 1323 CA GLN A 92 13.368 10.124 -21.843 1.00 0.00 C ATOM 1324 C GLN A 92 13.899 10.686 -20.529 1.00 0.00 C ATOM 1325 O GLN A 92 13.234 11.488 -19.871 1.00 0.00 O ATOM 1326 CB GLN A 92 11.870 10.407 -21.963 1.00 0.00 C ATOM 1327 CG GLN A 92 11.547 11.862 -22.262 1.00 0.00 C ATOM 1328 CD GLN A 92 10.701 12.028 -23.508 1.00 0.00 C ATOM 1329 OE1 GLN A 92 9.519 12.367 -23.430 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.301 11.788 -24.668 1.00 0.00 N ATOM 0 H GLN A 92 14.138 8.413 -22.776 1.00 0.00 H new ATOM 0 HA GLN A 92 13.891 10.615 -22.664 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.453 9.781 -22.752 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.379 10.118 -21.034 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.022 12.296 -21.411 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.476 12.419 -22.382 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.282 11.509 -24.687 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.781 11.882 -25.540 1.00 0.00 H new ATOM 1339 N LYS A 93 15.104 10.269 -20.156 1.00 0.00 N ATOM 1340 CA LYS A 93 15.726 10.740 -18.925 1.00 0.00 C ATOM 1341 C LYS A 93 17.114 11.310 -19.212 1.00 0.00 C ATOM 1342 O LYS A 93 18.028 10.593 -19.631 1.00 0.00 O ATOM 1343 CB LYS A 93 15.791 9.614 -17.885 1.00 0.00 C ATOM 1344 CG LYS A 93 17.081 8.808 -17.903 1.00 0.00 C ATOM 1345 CD LYS A 93 17.162 7.913 -19.128 1.00 0.00 C ATOM 1346 CE LYS A 93 18.551 7.934 -19.742 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.499 8.008 -21.227 1.00 0.00 N ATOM 0 H LYS A 93 15.668 9.607 -20.688 1.00 0.00 H new ATOM 0 HA LYS A 93 15.113 11.540 -18.510 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.662 10.046 -16.893 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.953 8.937 -18.049 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.935 9.486 -17.889 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.143 8.199 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.901 6.892 -18.851 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.431 8.240 -19.868 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.106 8.788 -19.355 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.094 7.038 -19.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.467 8.020 -21.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.991 7.180 -21.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.003 8.876 -21.514 1.00 0.00 H new ATOM 1361 N TYR A 94 17.252 12.615 -19.006 1.00 0.00 N ATOM 1362 CA TYR A 94 18.511 13.304 -19.257 1.00 0.00 C ATOM 1363 C TYR A 94 19.002 14.034 -18.011 1.00 0.00 C ATOM 1364 O TYR A 94 18.283 14.147 -17.019 1.00 0.00 O ATOM 1365 CB TYR A 94 18.337 14.299 -20.407 1.00 0.00 C ATOM 1366 CG TYR A 94 17.584 15.553 -20.018 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.186 16.543 -19.248 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.269 15.749 -20.423 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.497 17.690 -18.893 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.576 16.892 -20.074 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.195 17.859 -19.309 1.00 0.00 C ATOM 1372 OH TYR A 94 15.507 18.998 -18.960 1.00 0.00 O ATOM 0 H TYR A 94 16.504 13.218 -18.664 1.00 0.00 H new ATOM 0 HA TYR A 94 19.258 12.557 -19.528 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.320 14.579 -20.785 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.809 13.808 -21.224 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.208 16.415 -18.922 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.780 14.994 -21.021 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.978 18.448 -18.293 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.555 17.028 -20.398 1.00 0.00 H new ATOM 0 HH TYR A 94 14.602 18.961 -19.334 1.00 0.00 H new ATOM 1382 N SER A 95 20.233 14.531 -18.077 1.00 0.00 N ATOM 1383 CA SER A 95 20.832 15.258 -16.965 1.00 0.00 C ATOM 1384 C SER A 95 21.560 16.498 -17.470 1.00 0.00 C ATOM 1385 O SER A 95 22.053 16.521 -18.597 1.00 0.00 O ATOM 1386 CB SER A 95 21.800 14.355 -16.198 1.00 0.00 C ATOM 1387 OG SER A 95 22.185 13.239 -16.980 1.00 0.00 O ATOM 0 H SER A 95 20.837 14.442 -18.894 1.00 0.00 H new ATOM 0 HA SER A 95 20.036 15.572 -16.290 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.684 14.925 -15.912 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.330 14.012 -15.276 1.00 0.00 H new ATOM 0 HG SER A 95 22.881 12.734 -16.509 1.00 0.00 H new ATOM 1393 N PHE A 96 21.620 17.532 -16.638 1.00 0.00 N ATOM 1394 CA PHE A 96 22.285 18.772 -17.019 1.00 0.00 C ATOM 1395 C PHE A 96 23.796 18.658 -16.866 1.00 0.00 C ATOM 1396 O PHE A 96 24.314 17.620 -16.453 1.00 0.00 O ATOM 1397 CB PHE A 96 21.759 19.938 -16.182 1.00 0.00 C ATOM 1398 CG PHE A 96 20.464 20.495 -16.700 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.275 20.681 -18.059 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.438 20.827 -15.831 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.087 21.188 -18.544 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.245 21.334 -16.310 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.070 21.514 -17.669 1.00 0.00 C ATOM 0 H PHE A 96 21.218 17.536 -15.700 1.00 0.00 H new ATOM 0 HA PHE A 96 22.063 18.960 -18.070 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.620 19.606 -15.153 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.507 20.731 -16.162 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.067 20.426 -18.748 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.572 20.688 -14.768 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.953 21.330 -19.606 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.451 21.589 -15.624 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.138 21.909 -18.046 1.00 0.00 H new ATOM 1413 N CYS A 97 24.499 19.733 -17.206 1.00 0.00 N ATOM 1414 CA CYS A 97 25.953 19.757 -17.113 1.00 0.00 C ATOM 1415 C CYS A 97 26.452 21.152 -16.752 1.00 0.00 C ATOM 1416 O CYS A 97 26.023 22.146 -17.339 1.00 0.00 O ATOM 1417 CB CYS A 97 26.576 19.305 -18.434 1.00 0.00 C ATOM 1418 SG CYS A 97 26.840 17.507 -18.554 1.00 0.00 S ATOM 0 H CYS A 97 24.084 20.600 -17.549 1.00 0.00 H new ATOM 0 HA CYS A 97 26.254 19.068 -16.323 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.932 19.623 -19.254 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.532 19.811 -18.565 1.00 0.00 H new ATOM 1423 N THR A 98 27.359 21.218 -15.784 1.00 0.00 N ATOM 1424 CA THR A 98 27.915 22.491 -15.346 1.00 0.00 C ATOM 1425 C THR A 98 28.740 23.141 -16.450 1.00 0.00 C ATOM 1426 O THR A 98 29.661 22.530 -16.992 1.00 0.00 O ATOM 1427 CB THR A 98 28.797 22.312 -14.098 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.400 21.013 -14.106 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.977 22.488 -12.830 1.00 0.00 C ATOM 0 H THR A 98 27.724 20.405 -15.288 1.00 0.00 H new ATOM 0 HA THR A 98 27.073 23.138 -15.100 1.00 0.00 H new ATOM 0 HB THR A 98 29.577 23.073 -14.118 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.364 21.099 -13.950 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.620 22.357 -11.960 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.543 23.488 -12.813 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.179 21.745 -12.806 1.00 0.00 H new