USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 379 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 46 TYR OH : rot 30:sc=-0.000293 USER MOD Set 1.2: A 50 MET CE :methyl -168:sc= -0.022 (180deg=-0.197) USER MOD Set 2.1: A 15 THR OG1 : rot -68:sc= 1.37 USER MOD Set 2.2: A 42 GLN : amide:sc= 0.35 K(o=1.7,f=-0.0089) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.782 K(o=0.78,f=-0.041) USER MOD Single : A 13 SER OG : rot 73:sc= 0.928 USER MOD Single : A 14 GLN : amide:sc= -0.0985 X(o=-0.098,f=-0.057) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.053) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 34 GLN : amide:sc= 0.842 K(o=0.84,f=-0.4) USER MOD Single : A 35 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 45 HIS :FLIP no HE2:sc= 0.104 F(o=-0.88,f=0.1) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 4.225 -0.778 -5.043 1.00 25.00 N ATOM 54 CA LYS A 4 4.223 0.506 -5.754 1.00 25.00 C ATOM 55 C LYS A 4 3.634 0.378 -7.158 1.00 25.00 C ATOM 56 O LYS A 4 3.085 1.333 -7.684 1.00 25.00 O ATOM 57 CB LYS A 4 5.637 1.070 -5.850 1.00 25.00 C ATOM 58 CG LYS A 4 6.239 1.471 -4.457 1.00 25.00 C ATOM 59 CD LYS A 4 7.550 2.248 -4.583 1.00 25.00 C ATOM 60 CE LYS A 4 8.714 1.426 -5.158 1.00 25.00 C ATOM 61 NZ LYS A 4 9.986 2.219 -5.116 1.00 25.00 N ATOM 0 HA LYS A 4 3.595 1.187 -5.179 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.285 0.330 -6.319 1.00 25.00 H new ATOM 0 HB3 LYS A 4 5.629 1.945 -6.500 1.00 25.00 H new ATOM 0 HG2 LYS A 4 5.514 2.076 -3.913 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.410 0.571 -3.867 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.385 3.118 -5.219 1.00 25.00 H new ATOM 0 HD3 LYS A 4 7.834 2.622 -3.599 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.833 0.505 -4.588 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.491 1.138 -6.185 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.763 1.650 -5.508 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.873 3.086 -5.679 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.205 2.472 -4.131 1.00 25.00 H new ATOM 75 N GLN A 5 3.657 -0.826 -7.728 1.00 25.00 N ATOM 76 CA GLN A 5 3.055 -1.066 -9.054 1.00 25.00 C ATOM 77 C GLN A 5 1.560 -0.825 -9.071 1.00 25.00 C ATOM 78 O GLN A 5 0.999 -0.501 -10.097 1.00 25.00 O ATOM 79 CB GLN A 5 3.329 -2.519 -9.512 1.00 25.00 C ATOM 80 CG GLN A 5 4.484 -2.620 -10.483 1.00 25.00 C ATOM 81 CD GLN A 5 5.835 -2.447 -9.808 1.00 25.00 C ATOM 82 OE1 GLN A 5 6.230 -1.344 -9.440 1.00 25.00 O ATOM 83 NE2 GLN A 5 6.523 -3.534 -9.614 1.00 25.00 N ATOM 0 H GLN A 5 4.081 -1.650 -7.302 1.00 25.00 H new ATOM 0 HA GLN A 5 3.519 -0.354 -9.736 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.539 -3.137 -8.639 1.00 25.00 H new ATOM 0 HB3 GLN A 5 2.431 -2.923 -9.979 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.452 -3.590 -10.979 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.370 -1.862 -11.257 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.160 -4.432 -9.935 1.00 25.00 H new ATOM 0 HE22 GLN A 5 7.426 -3.489 -9.141 1.00 25.00 H new ATOM 92 N GLN A 6 0.919 -0.977 -7.918 1.00 25.00 N ATOM 93 CA GLN A 6 -0.516 -0.764 -7.836 1.00 25.00 C ATOM 94 C GLN A 6 -0.816 0.717 -8.070 1.00 25.00 C ATOM 95 O GLN A 6 -1.757 1.074 -8.770 1.00 25.00 O ATOM 96 CB GLN A 6 -1.016 -1.190 -6.448 1.00 25.00 C ATOM 97 CG GLN A 6 -0.825 -2.696 -6.219 1.00 25.00 C ATOM 98 CD GLN A 6 -1.170 -3.155 -4.817 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.675 -2.637 -3.831 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.980 -4.178 -4.728 1.00 25.00 N ATOM 0 H GLN A 6 1.365 -1.243 -7.040 1.00 25.00 H new ATOM 0 HA GLN A 6 -1.025 -1.359 -8.595 1.00 25.00 H new ATOM 0 HB2 GLN A 6 -0.479 -0.633 -5.680 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -2.071 -0.936 -6.347 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -1.443 -3.243 -6.931 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.212 -2.957 -6.431 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -2.378 -4.589 -5.573 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.214 -4.565 -3.814 1.00 25.00 H new ATOM 109 N ILE A 7 0.036 1.578 -7.537 1.00 25.00 N ATOM 110 CA ILE A 7 -0.112 3.018 -7.680 1.00 25.00 C ATOM 111 C ILE A 7 0.156 3.386 -9.139 1.00 25.00 C ATOM 112 O ILE A 7 -0.597 4.158 -9.738 1.00 25.00 O ATOM 113 CB ILE A 7 0.873 3.788 -6.744 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.671 3.342 -5.279 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.647 5.328 -6.872 1.00 25.00 C ATOM 116 CD1 ILE A 7 1.852 3.636 -4.355 1.00 25.00 C ATOM 0 H ILE A 7 0.851 1.298 -6.992 1.00 25.00 H new ATOM 0 HA ILE A 7 -1.124 3.304 -7.393 1.00 25.00 H new ATOM 0 HB ILE A 7 1.895 3.558 -7.045 1.00 25.00 H new ATOM 0 HG12 ILE A 7 -0.216 3.836 -4.882 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.473 2.270 -5.263 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.340 5.853 -6.215 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.820 5.637 -7.903 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.377 5.570 -6.588 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.621 3.289 -3.348 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.739 3.120 -4.722 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.040 4.710 -4.335 1.00 25.00 H new ATOM 128 N MET A 8 1.198 2.790 -9.714 1.00 25.00 N ATOM 129 CA MET A 8 1.569 3.036 -11.110 1.00 25.00 C ATOM 130 C MET A 8 0.445 2.641 -12.077 1.00 25.00 C ATOM 131 O MET A 8 0.159 3.365 -13.032 1.00 25.00 O ATOM 132 CB MET A 8 2.849 2.257 -11.478 1.00 25.00 C ATOM 133 CG MET A 8 4.102 2.800 -10.787 1.00 25.00 C ATOM 134 SD MET A 8 4.549 4.400 -11.480 1.00 25.00 S ATOM 135 CE MET A 8 5.651 3.966 -12.788 1.00 25.00 C ATOM 0 H MET A 8 1.806 2.128 -9.232 1.00 25.00 H new ATOM 0 HA MET A 8 1.749 4.107 -11.207 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.719 1.209 -11.210 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.992 2.294 -12.558 1.00 25.00 H new ATOM 0 HG2 MET A 8 3.923 2.896 -9.716 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.927 2.099 -10.910 1.00 25.00 H new ATOM 0 HE1 MET A 8 5.994 4.871 -13.290 1.00 25.00 H new ATOM 0 HE2 MET A 8 6.508 3.431 -12.379 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.133 3.328 -13.504 1.00 25.00 H new ATOM 145 N ALA A 9 -0.200 1.511 -11.839 1.00 25.00 N ATOM 146 CA ALA A 9 -1.276 1.063 -12.705 1.00 25.00 C ATOM 147 C ALA A 9 -2.462 2.036 -12.652 1.00 25.00 C ATOM 148 O ALA A 9 -3.093 2.347 -13.676 1.00 25.00 O ATOM 149 CB ALA A 9 -1.705 -0.366 -12.274 1.00 25.00 C ATOM 0 H ALA A 9 0.002 0.889 -11.056 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.926 1.038 -13.737 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.513 -0.713 -12.918 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.855 -1.043 -12.362 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -2.048 -0.346 -11.240 1.00 25.00 H new ATOM 155 N ALA A 10 -2.757 2.517 -11.464 1.00 25.00 N ATOM 156 CA ALA A 10 -3.863 3.436 -11.286 1.00 25.00 C ATOM 157 C ALA A 10 -3.592 4.751 -11.995 1.00 25.00 C ATOM 158 O ALA A 10 -4.435 5.245 -12.732 1.00 25.00 O ATOM 159 CB ALA A 10 -4.088 3.663 -9.759 1.00 25.00 C ATOM 0 H ALA A 10 -2.249 2.289 -10.609 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.765 3.009 -11.726 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.919 4.353 -9.612 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.318 2.711 -9.280 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.185 4.083 -9.317 1.00 25.00 H new ATOM 165 N LEU A 11 -2.385 5.293 -11.827 1.00 25.00 N ATOM 166 CA LEU A 11 -2.036 6.555 -12.473 1.00 25.00 C ATOM 167 C LEU A 11 -2.081 6.402 -13.992 1.00 25.00 C ATOM 168 O LEU A 11 -2.585 7.283 -14.690 1.00 25.00 O ATOM 169 CB LEU A 11 -0.633 7.023 -12.049 1.00 25.00 C ATOM 170 CG LEU A 11 -0.508 7.549 -10.606 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.956 7.697 -10.209 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.246 8.887 -10.457 1.00 25.00 C ATOM 0 H LEU A 11 -1.644 4.884 -11.258 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.765 7.303 -12.160 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.060 6.191 -12.173 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.312 7.810 -12.731 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.969 6.823 -9.936 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.020 8.070 -9.187 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.450 6.728 -10.273 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.446 8.400 -10.883 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.148 9.245 -9.432 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.814 9.619 -11.140 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.301 8.749 -10.694 1.00 25.00 H new ATOM 184 N ASN A 12 -1.580 5.281 -14.489 1.00 25.00 N ATOM 185 CA ASN A 12 -1.566 5.039 -15.932 1.00 25.00 C ATOM 186 C ASN A 12 -2.980 5.021 -16.463 1.00 25.00 C ATOM 187 O ASN A 12 -3.255 5.521 -17.547 1.00 25.00 O ATOM 188 CB ASN A 12 -0.889 3.703 -16.239 1.00 25.00 C ATOM 189 CG ASN A 12 0.557 3.862 -16.602 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.914 4.116 -17.738 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.414 3.698 -15.640 1.00 25.00 N ATOM 0 H ASN A 12 -1.181 4.530 -13.926 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.007 5.840 -16.415 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.973 3.049 -15.371 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.414 3.213 -17.059 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.413 3.781 -15.827 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.088 3.486 -14.697 1.00 25.00 H new ATOM 198 N SER A 13 -3.911 4.494 -15.684 1.00 25.00 N ATOM 199 CA SER A 13 -5.322 4.478 -16.083 1.00 25.00 C ATOM 200 C SER A 13 -5.940 5.890 -16.099 1.00 25.00 C ATOM 201 O SER A 13 -6.649 6.260 -17.005 1.00 25.00 O ATOM 202 CB SER A 13 -6.130 3.572 -15.148 1.00 25.00 C ATOM 203 OG SER A 13 -5.548 2.282 -15.113 1.00 25.00 O ATOM 0 H SER A 13 -3.723 4.072 -14.775 1.00 25.00 H new ATOM 0 HA SER A 13 -5.362 4.087 -17.100 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.154 3.998 -14.145 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.162 3.507 -15.492 1.00 25.00 H new ATOM 0 HG SER A 13 -4.711 2.314 -14.604 1.00 25.00 H new ATOM 209 N GLN A 14 -5.665 6.665 -15.054 1.00 25.00 N ATOM 210 CA GLN A 14 -6.273 7.984 -14.906 1.00 25.00 C ATOM 211 C GLN A 14 -5.823 8.982 -15.963 1.00 25.00 C ATOM 212 O GLN A 14 -6.540 9.950 -16.235 1.00 25.00 O ATOM 213 CB GLN A 14 -5.932 8.573 -13.536 1.00 25.00 C ATOM 214 CG GLN A 14 -6.523 7.841 -12.340 1.00 25.00 C ATOM 215 CD GLN A 14 -8.039 7.785 -12.380 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.625 6.732 -12.288 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.668 8.931 -12.483 1.00 25.00 N ATOM 0 H GLN A 14 -5.029 6.405 -14.301 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.345 7.826 -15.020 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.848 8.592 -13.428 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.273 9.608 -13.510 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -6.126 6.826 -12.308 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.206 8.337 -11.422 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.138 9.799 -12.559 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.688 8.954 -12.487 1.00 25.00 H new ATOM 226 N THR A 15 -4.645 8.786 -16.537 1.00 25.00 N ATOM 227 CA THR A 15 -4.064 9.752 -17.477 1.00 25.00 C ATOM 228 C THR A 15 -3.833 9.169 -18.870 1.00 25.00 C ATOM 229 O THR A 15 -3.207 9.803 -19.712 1.00 25.00 O ATOM 230 CB THR A 15 -2.701 10.242 -16.966 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.856 9.107 -16.755 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.814 10.981 -15.663 1.00 25.00 C ATOM 0 H THR A 15 -4.065 7.964 -16.371 1.00 25.00 H new ATOM 0 HA THR A 15 -4.788 10.564 -17.546 1.00 25.00 H new ATOM 0 HB THR A 15 -2.293 10.922 -17.714 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.196 8.582 -16.001 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.825 11.307 -15.343 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.459 11.850 -15.793 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.241 10.322 -14.907 1.00 25.00 H new ATOM 240 N ALA A 16 -4.374 7.985 -19.119 1.00 25.00 N ATOM 241 CA ALA A 16 -4.170 7.288 -20.401 1.00 25.00 C ATOM 242 C ALA A 16 -4.507 8.155 -21.618 1.00 25.00 C ATOM 243 O ALA A 16 -3.636 8.483 -22.426 1.00 25.00 O ATOM 244 CB ALA A 16 -4.999 5.986 -20.407 1.00 25.00 C ATOM 0 H ALA A 16 -4.960 7.478 -18.455 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.108 7.056 -20.486 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.852 5.466 -21.353 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.676 5.345 -19.587 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.055 6.227 -20.285 1.00 25.00 H new ATOM 250 N VAL A 17 -5.783 8.507 -21.783 1.00 25.00 N ATOM 251 CA VAL A 17 -6.190 9.269 -22.953 1.00 25.00 C ATOM 252 C VAL A 17 -5.658 10.697 -22.856 1.00 25.00 C ATOM 253 O VAL A 17 -5.408 11.359 -23.843 1.00 25.00 O ATOM 254 CB VAL A 17 -7.735 9.248 -23.143 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.463 9.994 -22.039 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.120 9.821 -24.532 1.00 25.00 C ATOM 0 H VAL A 17 -6.535 8.280 -21.133 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.759 8.798 -23.836 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.051 8.206 -23.088 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.537 9.950 -22.217 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.236 9.534 -21.078 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.139 11.035 -22.028 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.204 9.798 -24.647 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.768 10.849 -24.612 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.659 9.218 -25.315 1.00 25.00 H new ATOM 266 N GLN A 18 -5.488 11.170 -21.629 1.00 25.00 N ATOM 267 CA GLN A 18 -5.017 12.533 -21.380 1.00 25.00 C ATOM 268 C GLN A 18 -3.630 12.750 -21.969 1.00 25.00 C ATOM 269 O GLN A 18 -3.375 13.706 -22.679 1.00 25.00 O ATOM 270 CB GLN A 18 -5.010 12.768 -19.867 1.00 25.00 C ATOM 271 CG GLN A 18 -4.790 14.207 -19.456 1.00 25.00 C ATOM 272 CD GLN A 18 -4.733 14.328 -17.951 1.00 25.00 C ATOM 273 OE1 GLN A 18 -5.610 13.878 -17.247 1.00 25.00 O ATOM 274 NE2 GLN A 18 -3.681 14.900 -17.450 1.00 25.00 N ATOM 0 H GLN A 18 -5.669 10.629 -20.783 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.684 13.247 -21.864 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.960 12.427 -19.455 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.229 12.152 -19.420 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.862 14.577 -19.891 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.595 14.829 -19.846 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -2.959 15.270 -18.068 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -3.577 14.980 -16.438 1.00 25.00 H new ATOM 283 N PHE A 19 -2.750 11.789 -21.739 1.00 25.00 N ATOM 284 CA PHE A 19 -1.410 11.869 -22.293 1.00 25.00 C ATOM 285 C PHE A 19 -1.405 11.487 -23.748 1.00 25.00 C ATOM 286 O PHE A 19 -0.572 11.951 -24.509 1.00 25.00 O ATOM 287 CB PHE A 19 -0.449 10.975 -21.512 1.00 25.00 C ATOM 288 CG PHE A 19 -0.174 11.430 -20.093 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.582 12.690 -19.609 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.524 10.574 -19.228 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.308 13.081 -18.271 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.820 10.957 -17.893 1.00 25.00 C ATOM 293 CZ PHE A 19 0.394 12.212 -17.424 1.00 25.00 C ATOM 0 H PHE A 19 -2.936 10.956 -21.181 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.075 12.903 -22.207 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.857 9.965 -21.483 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.496 10.922 -22.052 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.110 13.367 -20.264 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.842 9.605 -19.584 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.639 14.043 -17.908 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.368 10.290 -17.244 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.608 12.508 -16.408 1.00 25.00 H new ATOM 303 N GLN A 20 -2.357 10.675 -24.182 1.00 25.00 N ATOM 304 CA GLN A 20 -2.428 10.299 -25.603 1.00 25.00 C ATOM 305 C GLN A 20 -2.712 11.527 -26.463 1.00 25.00 C ATOM 306 O GLN A 20 -2.113 11.708 -27.522 1.00 25.00 O ATOM 307 CB GLN A 20 -3.489 9.211 -25.839 1.00 25.00 C ATOM 308 CG GLN A 20 -3.390 8.564 -27.209 1.00 25.00 C ATOM 309 CD GLN A 20 -4.491 7.527 -27.407 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.662 7.847 -27.414 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.107 6.291 -27.592 1.00 25.00 N ATOM 0 H GLN A 20 -3.082 10.266 -23.592 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.461 9.887 -25.893 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.388 8.442 -25.073 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.480 9.648 -25.722 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.463 9.329 -27.982 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.415 8.090 -27.321 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.114 6.058 -27.580 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.800 5.560 -27.749 1.00 25.00 H new ATOM 320 N GLN A 21 -3.605 12.384 -25.986 1.00 25.00 N ATOM 321 CA GLN A 21 -3.967 13.598 -26.716 1.00 25.00 C ATOM 322 C GLN A 21 -2.774 14.526 -26.842 1.00 25.00 C ATOM 323 O GLN A 21 -2.520 15.083 -27.922 1.00 25.00 O ATOM 324 CB GLN A 21 -5.087 14.342 -25.961 1.00 25.00 C ATOM 325 CG GLN A 21 -6.450 13.626 -26.075 1.00 25.00 C ATOM 326 CD GLN A 21 -7.510 14.194 -25.124 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.237 15.081 -24.338 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.710 13.662 -25.198 1.00 25.00 N ATOM 0 H GLN A 21 -4.093 12.264 -25.098 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.305 13.308 -27.711 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.814 14.433 -24.910 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.177 15.354 -26.356 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.811 13.706 -27.101 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.315 12.565 -25.866 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.898 12.919 -25.872 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.453 13.992 -24.582 1.00 25.00 H new ATOM 337 N TYR A 22 -2.007 14.643 -25.768 1.00 25.00 N ATOM 338 CA TYR A 22 -0.794 15.454 -25.756 1.00 25.00 C ATOM 339 C TYR A 22 0.270 14.841 -26.672 1.00 25.00 C ATOM 340 O TYR A 22 0.944 15.523 -27.407 1.00 25.00 O ATOM 341 CB TYR A 22 -0.249 15.540 -24.318 1.00 25.00 C ATOM 342 CG TYR A 22 1.134 16.157 -24.246 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.337 17.532 -24.504 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.242 15.361 -23.927 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.638 18.095 -24.430 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.537 15.906 -23.844 1.00 25.00 C ATOM 347 CZ TYR A 22 3.723 17.276 -24.090 1.00 25.00 C ATOM 348 OH TYR A 22 4.997 17.770 -24.034 1.00 25.00 O ATOM 0 H TYR A 22 -2.206 14.180 -24.881 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.035 16.453 -26.119 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.936 16.128 -23.709 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.218 14.540 -23.886 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.496 18.159 -24.759 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.099 14.307 -23.741 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.790 19.145 -24.634 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.379 15.277 -23.594 1.00 25.00 H new ATOM 0 HH TYR A 22 5.615 17.053 -23.780 1.00 25.00 H new ATOM 358 N ALA A 23 0.392 13.504 -26.616 1.00 25.00 N ATOM 359 CA ALA A 23 1.388 12.800 -27.413 1.00 25.00 C ATOM 360 C ALA A 23 1.112 13.034 -28.891 1.00 25.00 C ATOM 361 O ALA A 23 2.050 13.240 -29.665 1.00 25.00 O ATOM 362 CB ALA A 23 1.394 11.314 -27.098 1.00 25.00 C ATOM 0 H ALA A 23 -0.185 12.901 -26.030 1.00 25.00 H new ATOM 0 HA ALA A 23 2.375 13.191 -27.164 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.147 10.816 -27.708 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.626 11.167 -26.043 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.413 10.892 -27.316 1.00 25.00 H new ATOM 368 N ALA A 24 -0.149 13.000 -29.283 1.00 25.00 N ATOM 369 CA ALA A 24 -0.510 13.210 -30.691 1.00 25.00 C ATOM 370 C ALA A 24 -0.238 14.665 -31.113 1.00 25.00 C ATOM 371 O ALA A 24 0.061 14.939 -32.250 1.00 25.00 O ATOM 372 CB ALA A 24 -1.994 12.867 -30.897 1.00 25.00 C ATOM 0 H ALA A 24 -0.939 12.832 -28.661 1.00 25.00 H new ATOM 0 HA ALA A 24 0.103 12.557 -31.312 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.262 13.023 -31.942 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.167 11.825 -30.630 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.607 13.510 -30.266 1.00 25.00 H new ATOM 378 N GLN A 25 -0.349 15.572 -30.173 1.00 25.00 N ATOM 379 CA GLN A 25 -0.101 16.979 -30.432 1.00 25.00 C ATOM 380 C GLN A 25 1.391 17.233 -30.694 1.00 25.00 C ATOM 381 O GLN A 25 1.749 18.195 -31.360 1.00 25.00 O ATOM 382 CB GLN A 25 -0.586 17.827 -29.240 1.00 25.00 C ATOM 383 CG GLN A 25 -1.375 19.030 -29.642 1.00 25.00 C ATOM 384 CD GLN A 25 -1.983 19.729 -28.447 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.584 20.829 -28.089 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.927 19.098 -27.809 1.00 25.00 N ATOM 0 H GLN A 25 -0.612 15.363 -29.210 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.656 17.268 -31.324 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.197 17.204 -28.587 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.278 18.148 -28.658 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -0.730 19.725 -30.180 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.166 18.732 -30.330 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.237 18.182 -28.133 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.356 19.520 -26.985 1.00 25.00 H new ATOM 395 N GLN A 26 2.229 16.370 -30.141 1.00 25.00 N ATOM 396 CA GLN A 26 3.690 16.486 -30.223 1.00 25.00 C ATOM 397 C GLN A 26 4.301 15.665 -31.357 1.00 25.00 C ATOM 398 O GLN A 26 5.183 16.151 -32.070 1.00 25.00 O ATOM 399 CB GLN A 26 4.299 16.025 -28.906 1.00 25.00 C ATOM 400 CG GLN A 26 4.114 16.991 -27.745 1.00 25.00 C ATOM 401 CD GLN A 26 4.839 18.303 -27.966 1.00 25.00 C ATOM 402 OE1 GLN A 26 4.238 19.366 -28.031 1.00 25.00 O ATOM 403 NE2 GLN A 26 6.150 18.236 -28.100 1.00 25.00 N ATOM 0 H GLN A 26 1.916 15.555 -29.613 1.00 25.00 H new ATOM 0 HA GLN A 26 3.913 17.533 -30.426 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.860 15.065 -28.635 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.366 15.857 -29.054 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.051 17.186 -27.603 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.478 16.527 -26.828 1.00 25.00 H new ATOM 0 HE21 GLN A 26 6.623 17.334 -28.041 1.00 25.00 H new ATOM 0 HE22 GLN A 26 6.690 19.086 -28.263 1.00 25.00 H new ATOM 412 N TYR A 27 3.806 14.451 -31.530 1.00 25.00 N ATOM 413 CA TYR A 27 4.283 13.543 -32.579 1.00 25.00 C ATOM 414 C TYR A 27 3.139 13.103 -33.496 1.00 25.00 C ATOM 415 O TYR A 27 2.681 11.937 -33.464 1.00 25.00 O ATOM 416 CB TYR A 27 4.984 12.333 -31.967 1.00 25.00 C ATOM 417 CG TYR A 27 6.183 12.704 -31.106 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.133 13.643 -31.542 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.365 12.092 -29.851 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.233 13.994 -30.732 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.472 12.435 -29.041 1.00 25.00 C ATOM 422 CZ TYR A 27 8.375 13.377 -29.487 1.00 25.00 C ATOM 423 OH TYR A 27 9.416 13.697 -28.676 1.00 25.00 O ATOM 0 H TYR A 27 3.062 14.060 -30.952 1.00 25.00 H new ATOM 0 HA TYR A 27 5.005 14.086 -33.188 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.269 11.775 -31.362 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.311 11.668 -32.767 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.019 14.103 -32.512 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.655 11.356 -29.505 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.952 14.726 -31.068 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.609 11.962 -28.080 1.00 25.00 H new ATOM 0 HH TYR A 27 9.359 13.174 -27.849 1.00 25.00 H new ATOM 433 N PRO A 28 2.603 14.049 -34.288 1.00 25.00 N ATOM 434 CA PRO A 28 1.471 13.624 -35.118 1.00 25.00 C ATOM 435 C PRO A 28 1.876 12.692 -36.257 1.00 25.00 C ATOM 436 O PRO A 28 2.937 12.833 -36.851 1.00 25.00 O ATOM 437 CB PRO A 28 0.933 14.954 -35.626 1.00 25.00 C ATOM 438 CG PRO A 28 2.113 15.820 -35.708 1.00 25.00 C ATOM 439 CD PRO A 28 2.931 15.469 -34.504 1.00 25.00 C ATOM 0 HA PRO A 28 0.739 13.032 -34.568 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.454 14.843 -36.599 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.185 15.365 -34.948 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.669 15.644 -36.629 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.832 16.873 -35.702 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.996 15.615 -34.682 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.665 16.081 -33.642 1.00 25.00 H new ATOM 447 N GLY A 29 1.074 11.659 -36.487 1.00 25.00 N ATOM 448 CA GLY A 29 1.368 10.672 -37.526 1.00 25.00 C ATOM 449 C GLY A 29 2.333 9.593 -37.101 1.00 25.00 C ATOM 450 O GLY A 29 2.505 8.589 -37.792 1.00 25.00 O ATOM 0 H GLY A 29 0.214 11.481 -35.969 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.435 10.205 -37.842 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.777 11.187 -38.395 1.00 25.00 H new ATOM 454 N ASN A 30 2.951 9.754 -35.928 1.00 25.00 N ATOM 455 CA ASN A 30 3.960 8.819 -35.441 1.00 25.00 C ATOM 456 C ASN A 30 3.491 8.084 -34.193 1.00 25.00 C ATOM 457 O ASN A 30 3.859 8.417 -33.071 1.00 25.00 O ATOM 458 CB ASN A 30 5.276 9.557 -35.188 1.00 25.00 C ATOM 459 CG ASN A 30 6.068 9.782 -36.462 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.096 10.878 -37.006 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.725 8.759 -36.937 1.00 25.00 N ATOM 0 H ASN A 30 2.765 10.532 -35.295 1.00 25.00 H new ATOM 0 HA ASN A 30 4.124 8.064 -36.209 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.066 10.519 -34.720 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.880 8.985 -34.484 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.282 8.860 -37.785 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.681 7.859 -36.460 1.00 25.00 H new ATOM 468 N TYR A 31 2.698 7.046 -34.402 1.00 25.00 N ATOM 469 CA TYR A 31 2.177 6.243 -33.296 1.00 25.00 C ATOM 470 C TYR A 31 3.303 5.727 -32.392 1.00 25.00 C ATOM 471 O TYR A 31 3.207 5.753 -31.177 1.00 25.00 O ATOM 472 CB TYR A 31 1.357 5.074 -33.841 1.00 25.00 C ATOM 473 CG TYR A 31 1.231 3.921 -32.874 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.297 3.947 -31.817 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.044 2.782 -33.034 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.171 2.844 -30.919 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.927 1.687 -32.126 1.00 25.00 C ATOM 478 CZ TYR A 31 1.009 1.725 -31.084 1.00 25.00 C ATOM 479 OH TYR A 31 0.901 0.662 -30.223 1.00 25.00 O ATOM 0 H TYR A 31 2.398 6.736 -35.326 1.00 25.00 H new ATOM 0 HA TYR A 31 1.535 6.883 -32.690 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.360 5.430 -34.101 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.817 4.716 -34.762 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.332 4.815 -31.685 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.756 2.737 -33.844 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.558 2.868 -30.123 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.559 0.820 -32.250 1.00 25.00 H new ATOM 0 HH TYR A 31 1.549 -0.029 -30.474 1.00 25.00 H new ATOM 489 N GLU A 32 4.413 5.322 -33.008 1.00 25.00 N ATOM 490 CA GLU A 32 5.548 4.811 -32.249 1.00 25.00 C ATOM 491 C GLU A 32 6.113 5.854 -31.259 1.00 25.00 C ATOM 492 O GLU A 32 6.337 5.552 -30.092 1.00 25.00 O ATOM 493 CB GLU A 32 6.633 4.338 -33.222 1.00 25.00 C ATOM 494 CG GLU A 32 7.040 5.423 -34.243 1.00 25.00 C ATOM 495 CD GLU A 32 8.063 4.962 -35.224 1.00 25.00 C ATOM 496 OE1 GLU A 32 9.171 4.641 -34.784 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.794 4.963 -36.448 1.00 25.00 O ATOM 0 H GLU A 32 4.548 5.338 -34.019 1.00 25.00 H new ATOM 0 HA GLU A 32 5.202 3.971 -31.646 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.512 4.031 -32.656 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.275 3.458 -33.757 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.153 5.753 -34.783 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.427 6.289 -33.706 1.00 25.00 H new ATOM 504 N GLN A 33 6.298 7.080 -31.706 1.00 25.00 N ATOM 505 CA GLN A 33 6.871 8.122 -30.871 1.00 25.00 C ATOM 506 C GLN A 33 5.889 8.598 -29.837 1.00 25.00 C ATOM 507 O GLN A 33 6.272 8.891 -28.690 1.00 25.00 O ATOM 508 CB GLN A 33 7.288 9.304 -31.722 1.00 25.00 C ATOM 509 CG GLN A 33 8.446 9.026 -32.659 1.00 25.00 C ATOM 510 CD GLN A 33 8.782 10.185 -33.573 1.00 25.00 C ATOM 511 OE1 GLN A 33 7.984 11.076 -33.771 1.00 25.00 O ATOM 512 NE2 GLN A 33 9.967 10.162 -34.142 1.00 25.00 N ATOM 0 H GLN A 33 6.058 7.383 -32.650 1.00 25.00 H new ATOM 0 HA GLN A 33 7.738 7.696 -30.367 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.431 9.632 -32.311 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.559 10.131 -31.065 1.00 25.00 H new ATOM 0 HG2 GLN A 33 9.327 8.773 -32.069 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.208 8.153 -33.267 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.610 9.394 -33.950 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.243 10.912 -34.776 1.00 25.00 H new ATOM 521 N GLN A 34 4.621 8.574 -30.201 1.00 25.00 N ATOM 522 CA GLN A 34 3.551 8.885 -29.245 1.00 25.00 C ATOM 523 C GLN A 34 3.574 7.905 -28.066 1.00 25.00 C ATOM 524 O GLN A 34 3.397 8.311 -26.912 1.00 25.00 O ATOM 525 CB GLN A 34 2.202 8.781 -29.938 1.00 25.00 C ATOM 526 CG GLN A 34 1.849 9.939 -30.811 1.00 25.00 C ATOM 527 CD GLN A 34 0.550 9.746 -31.535 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.391 9.179 -31.004 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.483 10.222 -32.735 1.00 25.00 N ATOM 0 H GLN A 34 4.298 8.346 -31.141 1.00 25.00 H new ATOM 0 HA GLN A 34 3.709 9.897 -28.873 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.190 7.874 -30.542 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.428 8.669 -29.179 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.790 10.842 -30.203 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.645 10.096 -31.538 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.292 10.690 -33.144 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.379 10.130 -33.273 1.00 25.00 H new ATOM 538 N GLN A 35 3.848 6.641 -28.330 1.00 25.00 N ATOM 539 CA GLN A 35 3.858 5.626 -27.284 1.00 25.00 C ATOM 540 C GLN A 35 5.078 5.793 -26.379 1.00 25.00 C ATOM 541 O GLN A 35 4.998 5.560 -25.173 1.00 25.00 O ATOM 542 CB GLN A 35 3.848 4.213 -27.920 1.00 25.00 C ATOM 543 CG GLN A 35 2.521 3.867 -28.594 1.00 25.00 C ATOM 544 CD GLN A 35 1.372 3.830 -27.624 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.376 3.037 -26.693 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.366 4.628 -27.861 1.00 25.00 N ATOM 0 H GLN A 35 4.068 6.288 -29.262 1.00 25.00 H new ATOM 0 HA GLN A 35 2.963 5.747 -26.673 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.650 4.147 -28.655 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.061 3.473 -27.149 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.311 4.600 -29.372 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.609 2.898 -29.085 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.403 5.275 -28.649 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.457 4.604 -27.258 1.00 25.00 H new ATOM 555 N ILE A 36 6.206 6.170 -26.967 1.00 25.00 N ATOM 556 CA ILE A 36 7.426 6.381 -26.186 1.00 25.00 C ATOM 557 C ILE A 36 7.245 7.580 -25.243 1.00 25.00 C ATOM 558 O ILE A 36 7.598 7.488 -24.063 1.00 25.00 O ATOM 559 CB ILE A 36 8.608 6.638 -27.143 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.843 5.411 -28.015 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.896 7.025 -26.367 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.651 5.681 -29.287 1.00 25.00 C ATOM 0 H ILE A 36 6.306 6.335 -27.969 1.00 25.00 H new ATOM 0 HA ILE A 36 7.631 5.493 -25.588 1.00 25.00 H new ATOM 0 HB ILE A 36 8.354 7.483 -27.783 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.361 4.655 -27.425 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.877 4.990 -28.296 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.708 7.199 -27.073 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.715 7.933 -25.792 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.170 6.215 -25.691 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.770 4.753 -29.846 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.126 6.411 -29.903 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.633 6.071 -29.018 1.00 25.00 H new ATOM 574 N LEU A 37 6.711 8.699 -25.744 1.00 25.00 N ATOM 575 CA LEU A 37 6.568 9.900 -24.921 1.00 25.00 C ATOM 576 C LEU A 37 5.775 9.661 -23.644 1.00 25.00 C ATOM 577 O LEU A 37 6.190 10.081 -22.549 1.00 25.00 O ATOM 578 CB LEU A 37 5.875 10.980 -25.746 1.00 25.00 C ATOM 579 CG LEU A 37 5.650 12.366 -25.100 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.910 12.925 -24.441 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.144 13.343 -26.132 1.00 25.00 C ATOM 0 H LEU A 37 6.375 8.796 -26.702 1.00 25.00 H new ATOM 0 HA LEU A 37 7.569 10.208 -24.619 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.457 11.128 -26.656 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.902 10.593 -26.050 1.00 25.00 H new ATOM 0 HG LEU A 37 4.907 12.229 -24.315 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.691 13.900 -24.005 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.244 12.244 -23.658 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.696 13.031 -25.189 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.989 14.316 -25.666 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.876 13.437 -26.934 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.201 12.983 -26.543 1.00 25.00 H new ATOM 593 N ILE A 38 4.648 8.984 -23.772 1.00 25.00 N ATOM 594 CA ILE A 38 3.768 8.697 -22.652 1.00 25.00 C ATOM 595 C ILE A 38 4.506 7.951 -21.542 1.00 25.00 C ATOM 596 O ILE A 38 4.280 8.224 -20.359 1.00 25.00 O ATOM 597 CB ILE A 38 2.507 7.893 -23.148 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.688 8.758 -24.125 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.599 7.459 -21.963 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.705 7.957 -25.013 1.00 25.00 C ATOM 0 H ILE A 38 4.315 8.615 -24.663 1.00 25.00 H new ATOM 0 HA ILE A 38 3.428 9.642 -22.229 1.00 25.00 H new ATOM 0 HB ILE A 38 2.865 6.994 -23.650 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.125 9.496 -23.554 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.375 9.308 -24.768 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.740 6.907 -22.346 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.166 6.822 -21.284 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.253 8.343 -21.427 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.169 8.641 -25.671 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.261 7.237 -25.614 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.008 7.428 -24.381 1.00 25.00 H new ATOM 612 N ARG A 39 5.446 7.073 -21.885 1.00 25.00 N ATOM 613 CA ARG A 39 6.201 6.348 -20.852 1.00 25.00 C ATOM 614 C ARG A 39 6.972 7.305 -19.956 1.00 25.00 C ATOM 615 O ARG A 39 6.951 7.168 -18.729 1.00 25.00 O ATOM 616 CB ARG A 39 7.215 5.392 -21.491 1.00 25.00 C ATOM 617 CG ARG A 39 6.621 4.411 -22.464 1.00 25.00 C ATOM 618 CD ARG A 39 7.719 3.681 -23.237 1.00 25.00 C ATOM 619 NE ARG A 39 7.142 3.000 -24.402 1.00 25.00 N ATOM 620 CZ ARG A 39 7.823 2.411 -25.374 1.00 25.00 C ATOM 621 NH1 ARG A 39 9.137 2.403 -25.423 1.00 25.00 N ATOM 622 NH2 ARG A 39 7.158 1.857 -26.353 1.00 25.00 N ATOM 0 H ARG A 39 5.703 6.846 -22.846 1.00 25.00 H new ATOM 0 HA ARG A 39 5.472 5.793 -20.262 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.975 5.980 -22.006 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.722 4.839 -20.700 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.005 3.688 -21.929 1.00 25.00 H new ATOM 0 HG3 ARG A 39 5.966 4.934 -23.161 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.481 4.390 -23.560 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.212 2.957 -22.589 1.00 25.00 H new ATOM 0 HE ARG A 39 6.124 2.978 -24.470 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.677 2.864 -24.691 1.00 25.00 H new ATOM 0 HH12 ARG A 39 9.616 1.935 -26.193 1.00 25.00 H new ATOM 0 HH21 ARG A 39 6.138 1.884 -26.357 1.00 25.00 H new ATOM 0 HH22 ARG A 39 7.659 1.397 -27.113 1.00 25.00 H new ATOM 636 N GLN A 40 7.624 8.275 -20.572 1.00 25.00 N ATOM 637 CA GLN A 40 8.406 9.264 -19.832 1.00 25.00 C ATOM 638 C GLN A 40 7.519 10.155 -18.986 1.00 25.00 C ATOM 639 O GLN A 40 7.879 10.456 -17.852 1.00 25.00 O ATOM 640 CB GLN A 40 9.239 10.112 -20.794 1.00 25.00 C ATOM 641 CG GLN A 40 10.673 9.672 -20.973 1.00 25.00 C ATOM 642 CD GLN A 40 10.799 8.287 -21.586 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.571 8.089 -22.766 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.139 7.320 -20.782 1.00 25.00 N ATOM 0 H GLN A 40 7.631 8.404 -21.584 1.00 25.00 H new ATOM 0 HA GLN A 40 9.074 8.723 -19.162 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.752 10.109 -21.769 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.235 11.143 -20.439 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.191 10.392 -21.606 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.173 9.681 -20.005 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.324 7.516 -19.798 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.220 6.367 -21.136 1.00 25.00 H new ATOM 653 N LEU A 41 6.373 10.533 -19.501 1.00 25.00 N ATOM 654 CA LEU A 41 5.412 11.353 -18.758 1.00 25.00 C ATOM 655 C LEU A 41 4.976 10.630 -17.481 1.00 25.00 C ATOM 656 O LEU A 41 5.014 11.189 -16.386 1.00 25.00 O ATOM 657 CB LEU A 41 4.159 11.671 -19.605 1.00 25.00 C ATOM 658 CG LEU A 41 4.394 12.483 -20.889 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.110 12.566 -21.683 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.914 13.878 -20.619 1.00 25.00 C ATOM 0 H LEU A 41 6.070 10.288 -20.444 1.00 25.00 H new ATOM 0 HA LEU A 41 5.911 12.289 -18.508 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.682 10.729 -19.878 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.452 12.217 -18.980 1.00 25.00 H new ATOM 0 HG LEU A 41 5.162 11.960 -21.459 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.281 13.142 -22.592 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.780 11.561 -21.947 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.342 13.054 -21.083 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.060 14.401 -21.564 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.193 14.423 -20.010 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.864 13.816 -20.088 1.00 25.00 H new ATOM 672 N GLN A 42 4.576 9.377 -17.621 1.00 25.00 N ATOM 673 CA GLN A 42 4.069 8.610 -16.489 1.00 25.00 C ATOM 674 C GLN A 42 5.124 8.452 -15.397 1.00 25.00 C ATOM 675 O GLN A 42 4.806 8.575 -14.210 1.00 25.00 O ATOM 676 CB GLN A 42 3.639 7.209 -16.939 1.00 25.00 C ATOM 677 CG GLN A 42 2.461 7.186 -17.910 1.00 25.00 C ATOM 678 CD GLN A 42 1.132 7.450 -17.240 1.00 25.00 C ATOM 679 OE1 GLN A 42 1.025 7.581 -16.023 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.099 7.511 -18.036 1.00 25.00 N ATOM 0 H GLN A 42 4.591 8.868 -18.505 1.00 25.00 H new ATOM 0 HA GLN A 42 3.217 9.162 -16.091 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.490 6.716 -17.409 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.378 6.623 -16.058 1.00 25.00 H new ATOM 0 HG2 GLN A 42 2.624 7.933 -18.687 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.425 6.215 -18.404 1.00 25.00 H new ATOM 0 HE21 GLN A 42 0.223 7.398 -19.042 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.832 7.672 -17.652 1.00 25.00 H new ATOM 689 N GLU A 43 6.356 8.179 -15.796 1.00 25.00 N ATOM 690 CA GLU A 43 7.441 7.966 -14.824 1.00 25.00 C ATOM 691 C GLU A 43 7.703 9.255 -14.066 1.00 25.00 C ATOM 692 O GLU A 43 7.788 9.241 -12.838 1.00 25.00 O ATOM 693 CB GLU A 43 8.716 7.495 -15.528 1.00 25.00 C ATOM 694 CG GLU A 43 9.814 7.047 -14.581 1.00 25.00 C ATOM 695 CD GLU A 43 11.042 6.575 -15.322 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.920 6.102 -16.463 1.00 25.00 O ATOM 697 OE2 GLU A 43 12.137 6.649 -14.742 1.00 25.00 O ATOM 0 H GLU A 43 6.638 8.098 -16.773 1.00 25.00 H new ATOM 0 HA GLU A 43 7.137 7.190 -14.122 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.467 6.670 -16.195 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.095 8.305 -16.151 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.083 7.872 -13.922 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.441 6.242 -13.948 1.00 25.00 H new ATOM 704 N GLN A 44 7.776 10.372 -14.767 1.00 25.00 N ATOM 705 CA GLN A 44 8.035 11.640 -14.107 1.00 25.00 C ATOM 706 C GLN A 44 6.894 12.044 -13.151 1.00 25.00 C ATOM 707 O GLN A 44 7.121 12.554 -12.058 1.00 25.00 O ATOM 708 CB GLN A 44 8.262 12.734 -15.146 1.00 25.00 C ATOM 709 CG GLN A 44 8.816 14.051 -14.555 1.00 25.00 C ATOM 710 CD GLN A 44 9.011 15.105 -15.649 1.00 25.00 C ATOM 711 OE1 GLN A 44 9.658 14.870 -16.646 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.449 16.269 -15.452 1.00 25.00 N ATOM 0 H GLN A 44 7.662 10.429 -15.779 1.00 25.00 H new ATOM 0 HA GLN A 44 8.935 11.516 -13.504 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.956 12.366 -15.902 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.320 12.942 -15.653 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.130 14.431 -13.798 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.766 13.859 -14.057 1.00 25.00 H new ATOM 0 HE21 GLN A 44 7.910 16.438 -14.603 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.550 17.008 -16.148 1.00 25.00 H new ATOM 721 N HIS A 45 5.647 11.832 -13.569 1.00 25.00 N ATOM 722 CA HIS A 45 4.503 12.239 -12.775 1.00 25.00 C ATOM 723 C HIS A 45 4.380 11.443 -11.471 1.00 25.00 C ATOM 724 O HIS A 45 3.853 11.952 -10.469 1.00 25.00 O ATOM 725 CB HIS A 45 3.215 12.099 -13.588 1.00 25.00 C ATOM 726 CG HIS A 45 2.954 13.250 -14.507 1.00 25.00 C ATOM 727 ND1 HIS A 45 3.037 13.354 -15.862 1.00 25.00 N flip ATOM 728 CD2 HIS A 45 2.575 14.492 -14.087 1.00 25.00 C flip ATOM 729 CE1 HIS A 45 2.722 14.634 -16.275 1.00 25.00 C flip ATOM 730 NE2 HIS A 45 2.420 15.269 -15.163 1.00 25.00 N flip ATOM 0 H HIS A 45 5.410 11.381 -14.453 1.00 25.00 H new ATOM 0 HA HIS A 45 4.660 13.284 -12.508 1.00 25.00 H new ATOM 0 HB2 HIS A 45 3.264 11.182 -14.175 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.373 11.995 -12.903 1.00 25.00 H new ATOM 0 HD1 HIS A 45 3.296 12.591 -16.487 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.426 14.795 -13.061 1.00 25.00 H new ATOM 0 HE1 HIS A 45 2.723 15.025 -17.282 1.00 25.00 H new ATOM 738 N TYR A 46 4.982 10.268 -11.418 1.00 25.00 N ATOM 739 CA TYR A 46 5.025 9.500 -10.163 1.00 25.00 C ATOM 740 C TYR A 46 5.746 10.241 -9.039 1.00 25.00 C ATOM 741 O TYR A 46 5.410 10.131 -7.861 1.00 25.00 O ATOM 742 CB TYR A 46 5.736 8.173 -10.390 1.00 25.00 C ATOM 743 CG TYR A 46 5.550 7.187 -9.254 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.321 6.539 -9.076 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.589 6.887 -8.360 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.130 5.605 -8.035 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.395 5.956 -7.306 1.00 25.00 C ATOM 748 CZ TYR A 46 5.180 5.320 -7.157 1.00 25.00 C ATOM 749 OH TYR A 46 5.033 4.413 -6.129 1.00 25.00 O ATOM 0 H TYR A 46 5.444 9.821 -12.210 1.00 25.00 H new ATOM 0 HA TYR A 46 3.989 9.346 -9.861 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.368 7.726 -11.313 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.801 8.359 -10.529 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.504 6.758 -9.748 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.548 7.370 -8.475 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.176 5.112 -7.917 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.201 5.745 -6.619 1.00 25.00 H new ATOM 0 HH TYR A 46 4.382 3.728 -6.388 1.00 25.00 H new ATOM 759 N GLN A 47 6.744 11.037 -9.411 1.00 25.00 N ATOM 760 CA GLN A 47 7.539 11.808 -8.426 1.00 25.00 C ATOM 761 C GLN A 47 6.637 12.783 -7.686 1.00 25.00 C ATOM 762 O GLN A 47 6.715 12.901 -6.461 1.00 25.00 O ATOM 763 CB GLN A 47 8.632 12.608 -9.150 1.00 25.00 C ATOM 764 CG GLN A 47 9.633 11.773 -9.981 1.00 25.00 C ATOM 765 CD GLN A 47 10.620 12.623 -10.731 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.492 13.823 -10.817 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.624 11.991 -11.259 1.00 25.00 N ATOM 0 H GLN A 47 7.030 11.173 -10.380 1.00 25.00 H new ATOM 0 HA GLN A 47 7.993 11.111 -7.721 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.151 13.329 -9.811 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.191 13.179 -8.408 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.173 11.097 -9.318 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.082 11.153 -10.689 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.696 10.978 -11.164 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.341 12.508 -11.769 1.00 25.00 H new ATOM 776 N GLN A 48 5.755 13.433 -8.427 1.00 25.00 N ATOM 777 CA GLN A 48 4.841 14.401 -7.831 1.00 25.00 C ATOM 778 C GLN A 48 3.836 13.700 -6.935 1.00 25.00 C ATOM 779 O GLN A 48 3.476 14.220 -5.878 1.00 25.00 O ATOM 780 CB GLN A 48 4.098 15.182 -8.919 1.00 25.00 C ATOM 781 CG GLN A 48 3.300 16.351 -8.414 1.00 25.00 C ATOM 782 CD GLN A 48 2.454 16.985 -9.505 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.900 17.194 -10.607 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.226 17.272 -9.179 1.00 25.00 N ATOM 0 H GLN A 48 5.650 13.312 -9.434 1.00 25.00 H new ATOM 0 HA GLN A 48 5.430 15.097 -7.233 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.823 15.542 -9.649 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.428 14.501 -9.444 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.653 16.022 -7.600 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.977 17.099 -8.001 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.890 17.078 -8.236 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.600 17.690 -9.867 1.00 25.00 H new ATOM 793 N TYR A 49 3.399 12.517 -7.327 1.00 25.00 N ATOM 794 CA TYR A 49 2.465 11.750 -6.520 1.00 25.00 C ATOM 795 C TYR A 49 3.061 11.376 -5.181 1.00 25.00 C ATOM 796 O TYR A 49 2.382 11.408 -4.155 1.00 25.00 O ATOM 797 CB TYR A 49 2.019 10.504 -7.276 1.00 25.00 C ATOM 798 CG TYR A 49 0.727 9.939 -6.715 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.516 10.569 -6.988 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.737 8.804 -5.888 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.713 10.060 -6.433 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.458 8.293 -5.346 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.677 8.920 -5.614 1.00 25.00 C ATOM 804 OH TYR A 49 -2.831 8.403 -5.070 1.00 25.00 O ATOM 0 H TYR A 49 3.675 12.066 -8.199 1.00 25.00 H new ATOM 0 HA TYR A 49 1.595 12.378 -6.326 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.882 10.747 -8.330 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.801 9.747 -7.222 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.547 11.442 -7.623 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.674 8.316 -5.665 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.654 10.548 -6.639 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.432 7.413 -4.721 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.614 7.613 -4.532 1.00 25.00 H new ATOM 814 N MET A 50 4.352 11.076 -5.155 1.00 25.00 N ATOM 815 CA MET A 50 5.014 10.784 -3.883 1.00 25.00 C ATOM 816 C MET A 50 5.023 12.033 -2.983 1.00 25.00 C ATOM 817 O MET A 50 4.733 11.932 -1.783 1.00 25.00 O ATOM 818 CB MET A 50 6.435 10.268 -4.105 1.00 25.00 C ATOM 819 CG MET A 50 6.826 9.113 -3.180 1.00 25.00 C ATOM 820 SD MET A 50 6.650 7.509 -4.008 1.00 25.00 S ATOM 821 CE MET A 50 4.839 7.311 -4.130 1.00 25.00 C ATOM 0 H MET A 50 4.954 11.028 -5.977 1.00 25.00 H new ATOM 0 HA MET A 50 4.450 9.998 -3.381 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.535 9.942 -5.140 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.136 11.090 -3.961 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.857 9.242 -2.851 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.201 9.133 -2.287 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.604 6.287 -4.420 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.383 7.529 -3.164 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.447 7.999 -4.879 1.00 25.00 H new