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 -129:sc= 0.366 USER MOD Set 1.2: A 50 MET CE :methyl 180:sc= -0.0249 (180deg=-0.0234) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 0.639 (180deg=0.389) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 8 MET CE :methyl -133:sc= 0 (180deg=-0.0296) USER MOD Single : A 12 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -69:sc= 0.478 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 21 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.68) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.15) USER MOD Single : A 34 GLN : amide:sc= 0.924 K(o=0.92,f=-0.33) USER MOD Single : A 35 GLN : amide:sc= -0.0575 X(o=-0.057,f=-0.19) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.17) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 45 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 47 GLN : amide:sc=-0.000261 K(o=-0.00026,f=-0.55) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 6.329 -0.478 -6.698 1.00 25.00 N ATOM 54 CA LYS A 4 5.955 0.764 -7.338 1.00 25.00 C ATOM 55 C LYS A 4 5.144 0.578 -8.635 1.00 25.00 C ATOM 56 O LYS A 4 4.334 1.425 -9.003 1.00 25.00 O ATOM 57 CB LYS A 4 7.212 1.614 -7.637 1.00 25.00 C ATOM 58 CG LYS A 4 8.274 0.974 -8.536 1.00 25.00 C ATOM 59 CD LYS A 4 8.343 1.698 -9.911 1.00 25.00 C ATOM 60 CE LYS A 4 9.116 3.004 -9.830 1.00 25.00 C ATOM 61 NZ LYS A 4 9.157 3.681 -11.178 1.00 25.00 N ATOM 0 HA LYS A 4 5.304 1.277 -6.630 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.890 2.547 -8.100 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.681 1.875 -6.688 1.00 25.00 H new ATOM 0 HG2 LYS A 4 9.247 1.020 -8.047 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.042 -0.080 -8.686 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.815 1.042 -10.642 1.00 25.00 H new ATOM 0 HD3 LYS A 4 7.332 1.897 -10.267 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.649 3.664 -9.099 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.131 2.811 -9.483 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 9.341 4.697 -11.051 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.915 3.262 -11.754 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.244 3.552 -11.659 1.00 25.00 H new ATOM 75 N GLN A 5 5.327 -0.544 -9.319 1.00 25.00 N ATOM 76 CA GLN A 5 4.634 -0.783 -10.580 1.00 25.00 C ATOM 77 C GLN A 5 3.156 -0.969 -10.369 1.00 25.00 C ATOM 78 O GLN A 5 2.381 -0.644 -11.251 1.00 25.00 O ATOM 79 CB GLN A 5 5.204 -1.985 -11.322 1.00 25.00 C ATOM 80 CG GLN A 5 6.606 -1.736 -11.859 1.00 25.00 C ATOM 81 CD GLN A 5 7.116 -2.940 -12.578 1.00 25.00 C ATOM 82 OE1 GLN A 5 7.286 -3.986 -12.005 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.374 -2.808 -13.848 1.00 25.00 N ATOM 0 H GLN A 5 5.946 -1.300 -9.025 1.00 25.00 H new ATOM 0 HA GLN A 5 4.792 0.104 -11.193 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.224 -2.844 -10.651 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.543 -2.242 -12.150 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.596 -0.880 -12.534 1.00 25.00 H new ATOM 0 HG3 GLN A 5 7.277 -1.486 -11.037 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.221 -1.911 -14.309 1.00 25.00 H new ATOM 0 HE22 GLN A 5 7.729 -3.602 -14.381 1.00 25.00 H new ATOM 92 N GLN A 6 2.754 -1.441 -9.201 1.00 25.00 N ATOM 93 CA GLN A 6 1.326 -1.565 -8.897 1.00 25.00 C ATOM 94 C GLN A 6 0.661 -0.155 -8.923 1.00 25.00 C ATOM 95 O GLN A 6 -0.459 0.014 -9.423 1.00 25.00 O ATOM 96 CB GLN A 6 1.131 -2.162 -7.512 1.00 25.00 C ATOM 97 CG GLN A 6 1.566 -3.625 -7.392 1.00 25.00 C ATOM 98 CD GLN A 6 0.487 -4.593 -7.814 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.484 -4.189 -8.436 1.00 25.00 O ATOM 100 NE2 GLN A 6 0.644 -5.857 -7.491 1.00 25.00 N ATOM 0 H GLN A 6 3.380 -1.742 -8.454 1.00 25.00 H new ATOM 0 HA GLN A 6 0.869 -2.214 -9.644 1.00 25.00 H new ATOM 0 HB2 GLN A 6 1.691 -1.568 -6.790 1.00 25.00 H new ATOM 0 HB3 GLN A 6 0.078 -2.084 -7.240 1.00 25.00 H new ATOM 0 HG2 GLN A 6 2.453 -3.787 -8.005 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.850 -3.831 -6.360 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.470 -6.152 -6.971 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -0.061 -6.544 -7.761 1.00 25.00 H new ATOM 109 N ILE A 7 1.359 0.814 -8.394 1.00 25.00 N ATOM 110 CA ILE A 7 0.885 2.200 -8.330 1.00 25.00 C ATOM 111 C ILE A 7 0.950 2.840 -9.692 1.00 25.00 C ATOM 112 O ILE A 7 0.064 3.603 -10.067 1.00 25.00 O ATOM 113 CB ILE A 7 1.734 3.001 -7.323 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.625 2.394 -5.917 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.340 4.491 -7.282 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.768 2.750 -5.050 1.00 25.00 C ATOM 0 H ILE A 7 2.284 0.678 -7.987 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.153 2.201 -7.997 1.00 25.00 H new ATOM 0 HB ILE A 7 2.768 2.940 -7.664 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.701 2.734 -5.450 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.561 1.309 -5.998 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.966 5.013 -6.558 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.481 4.932 -8.269 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.294 4.583 -6.990 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.637 2.293 -4.069 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.692 2.386 -5.499 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.819 3.833 -4.942 1.00 25.00 H new ATOM 128 N MET A 8 1.958 2.490 -10.474 1.00 25.00 N ATOM 129 CA MET A 8 2.046 3.028 -11.847 1.00 25.00 C ATOM 130 C MET A 8 0.905 2.526 -12.722 1.00 25.00 C ATOM 131 O MET A 8 0.434 3.258 -13.591 1.00 25.00 O ATOM 132 CB MET A 8 3.396 2.691 -12.485 1.00 25.00 C ATOM 133 CG MET A 8 4.517 3.396 -11.808 1.00 25.00 C ATOM 134 SD MET A 8 6.113 3.233 -12.686 1.00 25.00 S ATOM 135 CE MET A 8 5.853 4.473 -14.009 1.00 25.00 C ATOM 0 H MET A 8 2.711 1.857 -10.206 1.00 25.00 H new ATOM 0 HA MET A 8 1.959 4.112 -11.774 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.562 1.615 -12.438 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.378 2.965 -13.540 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.268 4.453 -11.715 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.625 3.004 -10.797 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.141 4.046 -14.970 1.00 25.00 H new ATOM 0 HE2 MET A 8 4.801 4.758 -14.039 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.462 5.354 -13.807 1.00 25.00 H new ATOM 145 N ALA A 9 0.480 1.271 -12.507 1.00 25.00 N ATOM 146 CA ALA A 9 -0.616 0.669 -13.261 1.00 25.00 C ATOM 147 C ALA A 9 -1.924 1.416 -12.948 1.00 25.00 C ATOM 148 O ALA A 9 -2.769 1.609 -13.817 1.00 25.00 O ATOM 149 CB ALA A 9 -0.781 -0.896 -12.900 1.00 25.00 C ATOM 0 H ALA A 9 0.889 0.652 -11.807 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.389 0.750 -14.324 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.605 -1.318 -13.476 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.141 -1.425 -13.144 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -0.991 -1.004 -11.836 1.00 25.00 H new ATOM 155 N ALA A 10 -2.068 1.862 -11.716 1.00 25.00 N ATOM 156 CA ALA A 10 -3.254 2.643 -11.336 1.00 25.00 C ATOM 157 C ALA A 10 -3.244 4.001 -12.051 1.00 25.00 C ATOM 158 O ALA A 10 -4.250 4.397 -12.670 1.00 25.00 O ATOM 159 CB ALA A 10 -3.353 2.869 -9.794 1.00 25.00 C ATOM 0 H ALA A 10 -1.397 1.707 -10.964 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.125 2.064 -11.642 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.247 3.451 -9.568 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.410 1.905 -9.288 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.471 3.409 -9.448 1.00 25.00 H new ATOM 165 N LEU A 11 -2.114 4.700 -11.985 1.00 25.00 N ATOM 166 CA LEU A 11 -1.948 6.013 -12.650 1.00 25.00 C ATOM 167 C LEU A 11 -2.105 5.926 -14.160 1.00 25.00 C ATOM 168 O LEU A 11 -2.520 6.898 -14.793 1.00 25.00 O ATOM 169 CB LEU A 11 -0.563 6.641 -12.374 1.00 25.00 C ATOM 170 CG LEU A 11 -0.214 7.083 -10.928 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.223 7.560 -10.903 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.146 8.156 -10.349 1.00 25.00 C ATOM 0 H LEU A 11 -1.287 4.386 -11.477 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.736 6.635 -12.227 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.193 5.923 -12.691 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.463 7.514 -13.019 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.353 6.213 -10.286 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.484 7.875 -9.893 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.881 6.748 -11.212 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.339 8.401 -11.586 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.829 8.405 -9.336 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.104 9.049 -10.972 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.168 7.777 -10.327 1.00 25.00 H new ATOM 184 N ASN A 12 -1.744 4.770 -14.733 1.00 25.00 N ATOM 185 CA ASN A 12 -1.796 4.566 -16.187 1.00 25.00 C ATOM 186 C ASN A 12 -3.226 4.655 -16.632 1.00 25.00 C ATOM 187 O ASN A 12 -3.499 5.229 -17.678 1.00 25.00 O ATOM 188 CB ASN A 12 -1.263 3.186 -16.617 1.00 25.00 C ATOM 189 CG ASN A 12 0.135 3.242 -17.161 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.370 2.815 -18.280 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.050 3.689 -16.373 1.00 25.00 N ATOM 0 H ASN A 12 -1.412 3.960 -14.210 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.168 5.332 -16.642 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.288 2.510 -15.762 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.925 2.766 -17.374 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.024 3.697 -16.675 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.801 4.035 -15.446 1.00 25.00 H new ATOM 198 N SER A 13 -4.151 4.127 -15.826 1.00 25.00 N ATOM 199 CA SER A 13 -5.561 4.111 -16.178 1.00 25.00 C ATOM 200 C SER A 13 -6.163 5.503 -16.166 1.00 25.00 C ATOM 201 O SER A 13 -7.000 5.804 -17.005 1.00 25.00 O ATOM 202 CB SER A 13 -6.290 3.200 -15.209 1.00 25.00 C ATOM 203 OG SER A 13 -7.615 2.968 -15.636 1.00 25.00 O ATOM 0 H SER A 13 -3.940 3.704 -14.922 1.00 25.00 H new ATOM 0 HA SER A 13 -5.667 3.735 -17.196 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.759 2.252 -15.126 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.297 3.650 -14.216 1.00 25.00 H new ATOM 0 HG SER A 13 -8.066 2.377 -14.997 1.00 25.00 H new ATOM 209 N GLN A 14 -5.729 6.357 -15.251 1.00 25.00 N ATOM 210 CA GLN A 14 -6.261 7.713 -15.126 1.00 25.00 C ATOM 211 C GLN A 14 -5.822 8.642 -16.255 1.00 25.00 C ATOM 212 O GLN A 14 -6.575 9.493 -16.691 1.00 25.00 O ATOM 213 CB GLN A 14 -5.764 8.318 -13.821 1.00 25.00 C ATOM 214 CG GLN A 14 -6.248 7.566 -12.577 1.00 25.00 C ATOM 215 CD GLN A 14 -5.630 8.121 -11.287 1.00 25.00 C ATOM 216 OE1 GLN A 14 -4.864 7.449 -10.617 1.00 25.00 O ATOM 217 NE2 GLN A 14 -5.948 9.359 -10.972 1.00 25.00 N ATOM 0 H GLN A 14 -5.000 6.134 -14.574 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.347 7.626 -15.162 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.674 8.331 -13.827 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.095 9.355 -13.761 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.334 7.631 -12.515 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.997 6.510 -12.673 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -6.593 9.885 -11.561 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -5.549 9.792 -10.139 1.00 25.00 H new ATOM 226 N THR A 15 -4.575 8.527 -16.676 1.00 25.00 N ATOM 227 CA THR A 15 -4.000 9.488 -17.601 1.00 25.00 C ATOM 228 C THR A 15 -3.752 8.971 -19.019 1.00 25.00 C ATOM 229 O THR A 15 -3.069 9.620 -19.806 1.00 25.00 O ATOM 230 CB THR A 15 -2.671 10.004 -17.053 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.762 8.922 -16.849 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.916 10.742 -15.703 1.00 25.00 C ATOM 0 H THR A 15 -3.942 7.779 -16.393 1.00 25.00 H new ATOM 0 HA THR A 15 -4.753 10.271 -17.682 1.00 25.00 H new ATOM 0 HB THR A 15 -2.237 10.695 -17.776 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.072 8.371 -16.101 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.967 11.110 -15.312 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.592 11.582 -15.865 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.360 10.051 -14.986 1.00 25.00 H new ATOM 240 N ALA A 16 -4.274 7.806 -19.356 1.00 25.00 N ATOM 241 CA ALA A 16 -3.986 7.182 -20.665 1.00 25.00 C ATOM 242 C ALA A 16 -4.407 8.105 -21.837 1.00 25.00 C ATOM 243 O ALA A 16 -3.573 8.620 -22.583 1.00 25.00 O ATOM 244 CB ALA A 16 -4.731 5.814 -20.758 1.00 25.00 C ATOM 0 H ALA A 16 -4.897 7.264 -18.757 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.911 7.022 -20.744 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.521 5.350 -21.722 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.389 5.158 -19.958 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.804 5.977 -20.659 1.00 25.00 H new ATOM 250 N VAL A 17 -5.696 8.361 -21.960 1.00 25.00 N ATOM 251 CA VAL A 17 -6.213 9.195 -23.041 1.00 25.00 C ATOM 252 C VAL A 17 -5.807 10.670 -22.814 1.00 25.00 C ATOM 253 O VAL A 17 -5.664 11.442 -23.767 1.00 25.00 O ATOM 254 CB VAL A 17 -7.777 9.029 -23.197 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.577 9.769 -22.096 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.181 9.528 -24.568 1.00 25.00 C ATOM 0 H VAL A 17 -6.410 8.004 -21.325 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.769 8.865 -23.980 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.016 7.971 -23.085 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.644 9.617 -22.258 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.299 9.376 -21.118 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.352 10.835 -22.137 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.259 9.420 -24.691 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.908 10.578 -24.668 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.668 8.945 -25.333 1.00 25.00 H new ATOM 266 N GLN A 18 -5.552 11.030 -21.573 1.00 25.00 N ATOM 267 CA GLN A 18 -5.113 12.365 -21.215 1.00 25.00 C ATOM 268 C GLN A 18 -3.744 12.693 -21.817 1.00 25.00 C ATOM 269 O GLN A 18 -3.560 13.747 -22.407 1.00 25.00 O ATOM 270 CB GLN A 18 -5.006 12.473 -19.669 1.00 25.00 C ATOM 271 CG GLN A 18 -4.825 13.900 -19.135 1.00 25.00 C ATOM 272 CD GLN A 18 -4.551 13.917 -17.659 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.509 14.294 -17.234 1.00 25.00 O ATOM 274 NE2 GLN A 18 -5.485 13.477 -16.886 1.00 25.00 N ATOM 0 H GLN A 18 -5.644 10.399 -20.777 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.845 13.071 -21.609 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.905 12.046 -19.226 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.166 11.865 -19.334 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.002 14.383 -19.662 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.723 14.482 -19.344 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.369 13.160 -17.284 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -5.339 13.446 -15.877 1.00 25.00 H new ATOM 283 N PHE A 19 -2.797 11.759 -21.711 1.00 25.00 N ATOM 284 CA PHE A 19 -1.465 11.941 -22.296 1.00 25.00 C ATOM 285 C PHE A 19 -1.420 11.561 -23.785 1.00 25.00 C ATOM 286 O PHE A 19 -0.561 12.052 -24.510 1.00 25.00 O ATOM 287 CB PHE A 19 -0.406 11.131 -21.520 1.00 25.00 C ATOM 288 CG PHE A 19 -0.176 11.589 -20.089 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.397 12.909 -19.703 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.260 10.671 -19.145 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.147 13.314 -18.357 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.522 11.069 -17.803 1.00 25.00 C ATOM 293 CZ PHE A 19 0.300 12.394 -17.413 1.00 25.00 C ATOM 0 H PHE A 19 -2.926 10.871 -21.227 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.236 13.004 -22.217 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.707 10.084 -21.507 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.539 11.184 -22.060 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.758 13.628 -20.424 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.403 9.640 -19.432 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.306 14.343 -18.069 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.891 10.349 -17.088 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.473 12.699 -16.392 1.00 25.00 H new ATOM 303 N GLN A 20 -2.324 10.696 -24.240 1.00 25.00 N ATOM 304 CA GLN A 20 -2.394 10.298 -25.659 1.00 25.00 C ATOM 305 C GLN A 20 -2.673 11.487 -26.590 1.00 25.00 C ATOM 306 O GLN A 20 -2.030 11.650 -27.639 1.00 25.00 O ATOM 307 CB GLN A 20 -3.520 9.320 -25.791 1.00 25.00 C ATOM 308 CG GLN A 20 -3.607 8.699 -27.144 1.00 25.00 C ATOM 309 CD GLN A 20 -4.623 7.577 -27.162 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.830 7.790 -26.997 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.152 6.364 -27.359 1.00 25.00 N ATOM 0 H GLN A 20 -3.026 10.251 -23.649 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.433 9.874 -25.949 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.399 8.534 -25.045 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.460 9.826 -25.570 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.883 9.456 -27.878 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.630 8.314 -27.435 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.151 6.221 -27.492 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.788 5.567 -27.379 1.00 25.00 H new ATOM 320 N GLN A 21 -3.598 12.369 -26.190 1.00 25.00 N ATOM 321 CA GLN A 21 -3.909 13.519 -26.984 1.00 25.00 C ATOM 322 C GLN A 21 -2.787 14.548 -26.988 1.00 25.00 C ATOM 323 O GLN A 21 -2.589 15.246 -27.989 1.00 25.00 O ATOM 324 CB GLN A 21 -5.204 14.116 -26.492 1.00 25.00 C ATOM 325 CG GLN A 21 -6.408 13.154 -26.653 1.00 25.00 C ATOM 326 CD GLN A 21 -6.614 12.781 -28.119 1.00 25.00 C ATOM 327 OE1 GLN A 21 -6.301 11.668 -28.532 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.097 13.695 -28.901 1.00 25.00 N ATOM 0 H GLN A 21 -4.130 12.291 -25.323 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.022 13.202 -28.021 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.098 14.386 -25.441 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.405 15.037 -27.039 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.240 12.252 -26.064 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.310 13.625 -26.263 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.346 14.609 -28.524 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.228 13.500 -29.894 1.00 25.00 H new ATOM 337 N TYR A 22 -2.048 14.644 -25.871 1.00 25.00 N ATOM 338 CA TYR A 22 -0.876 15.527 -25.822 1.00 25.00 C ATOM 339 C TYR A 22 0.245 14.919 -26.668 1.00 25.00 C ATOM 340 O TYR A 22 0.974 15.633 -27.342 1.00 25.00 O ATOM 341 CB TYR A 22 -0.424 15.750 -24.388 1.00 25.00 C ATOM 342 CG TYR A 22 0.945 16.343 -24.297 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.113 17.739 -24.378 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.076 15.520 -24.124 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.399 18.294 -24.297 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.375 16.087 -24.041 1.00 25.00 C ATOM 347 CZ TYR A 22 3.533 17.495 -24.145 1.00 25.00 C ATOM 348 OH TYR A 22 4.781 18.052 -24.114 1.00 25.00 O ATOM 0 H TYR A 22 -2.236 14.133 -25.009 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.141 16.502 -26.231 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.134 16.408 -23.886 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.439 14.799 -23.855 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.254 18.381 -24.502 1.00 25.00 H new ATOM 0 HD2 TYR A 22 1.954 14.449 -24.054 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.514 19.366 -24.354 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.237 15.452 -23.900 1.00 25.00 H new ATOM 0 HH TYR A 22 5.451 17.346 -24.001 1.00 25.00 H new ATOM 358 N ALA A 23 0.366 13.601 -26.656 1.00 25.00 N ATOM 359 CA ALA A 23 1.418 12.960 -27.441 1.00 25.00 C ATOM 360 C ALA A 23 1.147 13.206 -28.893 1.00 25.00 C ATOM 361 O ALA A 23 2.079 13.381 -29.660 1.00 25.00 O ATOM 362 CB ALA A 23 1.494 11.473 -27.113 1.00 25.00 C ATOM 0 H ALA A 23 -0.232 12.965 -26.128 1.00 25.00 H new ATOM 0 HA ALA A 23 2.391 13.385 -27.193 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.282 11.009 -27.706 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.714 11.345 -26.053 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.540 11.000 -27.345 1.00 25.00 H new ATOM 368 N ALA A 24 -0.112 13.259 -29.292 1.00 25.00 N ATOM 369 CA ALA A 24 -0.449 13.474 -30.684 1.00 25.00 C ATOM 370 C ALA A 24 -0.018 14.873 -31.176 1.00 25.00 C ATOM 371 O ALA A 24 0.323 15.049 -32.332 1.00 25.00 O ATOM 372 CB ALA A 24 -1.938 13.294 -30.885 1.00 25.00 C ATOM 0 H ALA A 24 -0.915 13.156 -28.671 1.00 25.00 H new ATOM 0 HA ALA A 24 0.096 12.736 -31.273 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.186 13.457 -31.934 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.224 12.282 -30.597 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.478 14.013 -30.269 1.00 25.00 H new ATOM 378 N GLN A 25 0.061 15.821 -30.278 1.00 25.00 N ATOM 379 CA GLN A 25 0.477 17.161 -30.611 1.00 25.00 C ATOM 380 C GLN A 25 1.991 17.329 -30.717 1.00 25.00 C ATOM 381 O GLN A 25 2.473 18.302 -31.247 1.00 25.00 O ATOM 382 CB GLN A 25 -0.048 18.098 -29.553 1.00 25.00 C ATOM 383 CG GLN A 25 -1.512 18.462 -29.719 1.00 25.00 C ATOM 384 CD GLN A 25 -1.952 19.404 -28.658 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.712 20.589 -28.691 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.607 18.867 -27.687 1.00 25.00 N ATOM 0 H GLN A 25 -0.162 15.686 -29.292 1.00 25.00 H new ATOM 0 HA GLN A 25 0.072 17.387 -31.597 1.00 25.00 H new ATOM 0 HB2 GLN A 25 0.093 17.639 -28.574 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.546 19.012 -29.565 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.669 18.914 -30.699 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.121 17.559 -29.683 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.792 17.864 -27.690 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.940 19.445 -26.915 1.00 25.00 H new ATOM 395 N GLN A 26 2.721 16.357 -30.220 1.00 25.00 N ATOM 396 CA GLN A 26 4.180 16.387 -30.230 1.00 25.00 C ATOM 397 C GLN A 26 4.734 15.458 -31.334 1.00 25.00 C ATOM 398 O GLN A 26 5.665 15.798 -32.036 1.00 25.00 O ATOM 399 CB GLN A 26 4.759 15.960 -28.883 1.00 25.00 C ATOM 400 CG GLN A 26 4.830 17.089 -27.836 1.00 25.00 C ATOM 401 CD GLN A 26 5.890 18.124 -28.152 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.946 17.830 -28.693 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.648 19.358 -27.713 1.00 25.00 N ATOM 0 H GLN A 26 2.327 15.518 -29.795 1.00 25.00 H new ATOM 0 HA GLN A 26 4.479 17.416 -30.429 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.154 15.146 -28.482 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.762 15.564 -29.041 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.859 17.580 -27.772 1.00 25.00 H new ATOM 0 HG3 GLN A 26 5.033 16.656 -26.856 1.00 25.00 H new ATOM 0 HE21 GLN A 26 4.757 19.575 -27.265 1.00 25.00 H new ATOM 0 HE22 GLN A 26 6.353 20.086 -27.825 1.00 25.00 H new ATOM 412 N TYR A 27 4.080 14.316 -31.506 1.00 25.00 N ATOM 413 CA TYR A 27 4.457 13.366 -32.545 1.00 25.00 C ATOM 414 C TYR A 27 3.264 12.960 -33.382 1.00 25.00 C ATOM 415 O TYR A 27 2.757 11.833 -33.215 1.00 25.00 O ATOM 416 CB TYR A 27 5.067 12.128 -31.895 1.00 25.00 C ATOM 417 CG TYR A 27 6.355 12.436 -31.128 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.439 13.088 -31.754 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.519 12.023 -29.786 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.644 13.388 -31.043 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.727 12.327 -29.068 1.00 25.00 C ATOM 422 CZ TYR A 27 8.742 12.999 -29.713 1.00 25.00 C ATOM 423 OH TYR A 27 9.896 13.225 -28.993 1.00 25.00 O ATOM 0 H TYR A 27 3.284 14.025 -30.938 1.00 25.00 H new ATOM 0 HA TYR A 27 5.183 13.846 -33.202 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.340 11.685 -31.214 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.276 11.385 -32.664 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.357 13.367 -32.794 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.729 11.474 -29.295 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.458 13.905 -31.529 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.837 12.032 -28.035 1.00 25.00 H new ATOM 0 HH TYR A 27 9.783 12.888 -28.080 1.00 25.00 H new ATOM 433 N PRO A 28 2.724 13.876 -34.228 1.00 25.00 N ATOM 434 CA PRO A 28 1.533 13.422 -34.936 1.00 25.00 C ATOM 435 C PRO A 28 1.842 12.314 -35.944 1.00 25.00 C ATOM 436 O PRO A 28 2.887 12.291 -36.534 1.00 25.00 O ATOM 437 CB PRO A 28 1.085 14.689 -35.662 1.00 25.00 C ATOM 438 CG PRO A 28 2.335 15.501 -35.853 1.00 25.00 C ATOM 439 CD PRO A 28 3.131 15.244 -34.611 1.00 25.00 C ATOM 0 HA PRO A 28 0.786 12.993 -34.268 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.621 14.450 -36.619 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.346 15.237 -35.077 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.879 15.192 -36.746 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.108 16.561 -35.969 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.203 15.308 -34.799 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.901 15.967 -33.828 1.00 25.00 H new ATOM 447 N GLY A 29 0.920 11.386 -36.093 1.00 25.00 N ATOM 448 CA GLY A 29 1.106 10.271 -37.018 1.00 25.00 C ATOM 449 C GLY A 29 1.929 9.128 -36.474 1.00 25.00 C ATOM 450 O GLY A 29 1.758 7.991 -36.880 1.00 25.00 O ATOM 0 H GLY A 29 0.033 11.375 -35.589 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.127 9.890 -37.307 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.583 10.645 -37.924 1.00 25.00 H new ATOM 454 N ASN A 30 2.859 9.423 -35.563 1.00 25.00 N ATOM 455 CA ASN A 30 3.819 8.423 -35.118 1.00 25.00 C ATOM 456 C ASN A 30 3.399 7.779 -33.837 1.00 25.00 C ATOM 457 O ASN A 30 3.802 8.197 -32.776 1.00 25.00 O ATOM 458 CB ASN A 30 5.209 9.046 -34.991 1.00 25.00 C ATOM 459 CG ASN A 30 5.834 9.334 -36.357 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.278 9.987 -37.184 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.024 8.815 -36.557 1.00 25.00 N ATOM 0 H ASN A 30 2.964 10.338 -35.125 1.00 25.00 H new ATOM 0 HA ASN A 30 3.856 7.636 -35.871 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.140 9.973 -34.421 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.858 8.374 -34.430 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.504 8.966 -37.445 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.469 8.261 -35.825 1.00 25.00 H new ATOM 468 N TYR A 31 2.566 6.768 -33.969 1.00 25.00 N ATOM 469 CA TYR A 31 2.063 6.010 -32.827 1.00 25.00 C ATOM 470 C TYR A 31 3.184 5.480 -31.956 1.00 25.00 C ATOM 471 O TYR A 31 3.112 5.599 -30.732 1.00 25.00 O ATOM 472 CB TYR A 31 1.226 4.854 -33.354 1.00 25.00 C ATOM 473 CG TYR A 31 0.901 3.857 -32.297 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.014 4.178 -31.254 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.484 2.572 -32.308 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.290 3.240 -30.220 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.201 1.635 -31.290 1.00 25.00 C ATOM 478 CZ TYR A 31 0.328 1.982 -30.255 1.00 25.00 C ATOM 479 OH TYR A 31 0.071 1.051 -29.285 1.00 25.00 O ATOM 0 H TYR A 31 2.214 6.443 -34.870 1.00 25.00 H new ATOM 0 HA TYR A 31 1.463 6.674 -32.205 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.301 5.244 -33.778 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.764 4.359 -34.163 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.447 5.154 -31.234 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.157 2.301 -33.108 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.980 3.494 -29.429 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.656 0.656 -31.311 1.00 25.00 H new ATOM 0 HH TYR A 31 0.585 0.237 -29.469 1.00 25.00 H new ATOM 489 N GLU A 32 4.230 4.927 -32.568 1.00 25.00 N ATOM 490 CA GLU A 32 5.339 4.390 -31.780 1.00 25.00 C ATOM 491 C GLU A 32 5.990 5.479 -30.938 1.00 25.00 C ATOM 492 O GLU A 32 6.230 5.299 -29.763 1.00 25.00 O ATOM 493 CB GLU A 32 6.404 3.741 -32.671 1.00 25.00 C ATOM 494 CG GLU A 32 6.834 4.575 -33.894 1.00 25.00 C ATOM 495 CD GLU A 32 7.925 3.928 -34.726 1.00 25.00 C ATOM 496 OE1 GLU A 32 7.734 2.782 -35.173 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.927 4.624 -35.004 1.00 25.00 O ATOM 0 H GLU A 32 4.334 4.840 -33.579 1.00 25.00 H new ATOM 0 HA GLU A 32 4.918 3.628 -31.124 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.286 3.534 -32.064 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.026 2.781 -33.021 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.964 4.750 -34.526 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.181 5.550 -33.553 1.00 25.00 H new ATOM 504 N GLN A 33 6.197 6.646 -31.536 1.00 25.00 N ATOM 505 CA GLN A 33 6.826 7.763 -30.835 1.00 25.00 C ATOM 506 C GLN A 33 5.920 8.368 -29.794 1.00 25.00 C ATOM 507 O GLN A 33 6.335 8.733 -28.700 1.00 25.00 O ATOM 508 CB GLN A 33 7.228 8.860 -31.811 1.00 25.00 C ATOM 509 CG GLN A 33 8.295 8.459 -32.787 1.00 25.00 C ATOM 510 CD GLN A 33 9.562 8.120 -32.101 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.047 7.012 -32.221 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.108 9.053 -31.363 1.00 25.00 N ATOM 0 H GLN A 33 5.940 6.845 -32.503 1.00 25.00 H new ATOM 0 HA GLN A 33 7.707 7.353 -30.341 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.345 9.177 -32.366 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.576 9.724 -31.245 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.954 7.602 -33.367 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.469 9.272 -33.492 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.666 9.970 -31.291 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.975 8.863 -30.860 1.00 25.00 H new ATOM 521 N GLN A 34 4.630 8.419 -30.101 1.00 25.00 N ATOM 522 CA GLN A 34 3.616 8.873 -29.127 1.00 25.00 C ATOM 523 C GLN A 34 3.666 8.023 -27.850 1.00 25.00 C ATOM 524 O GLN A 34 3.505 8.508 -26.741 1.00 25.00 O ATOM 525 CB GLN A 34 2.219 8.754 -29.734 1.00 25.00 C ATOM 526 CG GLN A 34 1.839 9.902 -30.675 1.00 25.00 C ATOM 527 CD GLN A 34 0.553 9.652 -31.422 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.308 8.926 -30.987 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.462 10.212 -32.591 1.00 25.00 N ATOM 0 H GLN A 34 4.251 8.155 -31.010 1.00 25.00 H new ATOM 0 HA GLN A 34 3.832 9.912 -28.879 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.153 7.814 -30.282 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.488 8.705 -28.927 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.744 10.821 -30.097 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.645 10.058 -31.392 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.210 10.820 -32.925 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.357 10.044 -33.175 1.00 25.00 H new ATOM 538 N GLN A 35 3.907 6.735 -28.014 1.00 25.00 N ATOM 539 CA GLN A 35 3.892 5.827 -26.855 1.00 25.00 C ATOM 540 C GLN A 35 5.131 5.959 -25.999 1.00 25.00 C ATOM 541 O GLN A 35 5.065 5.942 -24.770 1.00 25.00 O ATOM 542 CB GLN A 35 3.744 4.364 -27.326 1.00 25.00 C ATOM 543 CG GLN A 35 2.362 4.050 -27.886 1.00 25.00 C ATOM 544 CD GLN A 35 1.296 4.061 -26.794 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.438 3.407 -25.752 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.205 4.757 -27.040 1.00 25.00 N ATOM 0 H GLN A 35 4.112 6.291 -28.909 1.00 25.00 H new ATOM 0 HA GLN A 35 3.037 6.111 -26.242 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.494 4.157 -28.090 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.950 3.697 -26.489 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.105 4.781 -28.653 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.378 3.073 -28.369 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.122 5.284 -27.909 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.556 4.768 -26.361 1.00 25.00 H new ATOM 555 N ILE A 36 6.263 6.166 -26.647 1.00 25.00 N ATOM 556 CA ILE A 36 7.531 6.405 -25.943 1.00 25.00 C ATOM 557 C ILE A 36 7.350 7.675 -25.084 1.00 25.00 C ATOM 558 O ILE A 36 7.745 7.695 -23.932 1.00 25.00 O ATOM 559 CB ILE A 36 8.684 6.645 -26.945 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.903 5.384 -27.795 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.979 7.057 -26.206 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.747 5.604 -29.071 1.00 25.00 C ATOM 0 H ILE A 36 6.340 6.175 -27.664 1.00 25.00 H new ATOM 0 HA ILE A 36 7.781 5.536 -25.335 1.00 25.00 H new ATOM 0 HB ILE A 36 8.413 7.467 -27.608 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.390 4.628 -27.180 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.931 4.983 -28.083 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.776 7.220 -26.932 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.803 7.976 -25.648 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.272 6.265 -25.517 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.849 4.660 -29.607 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.253 6.334 -29.712 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.735 5.973 -28.795 1.00 25.00 H new ATOM 574 N LEU A 37 6.681 8.699 -25.624 1.00 25.00 N ATOM 575 CA LEU A 37 6.469 9.934 -24.877 1.00 25.00 C ATOM 576 C LEU A 37 5.554 9.733 -23.659 1.00 25.00 C ATOM 577 O LEU A 37 5.841 10.195 -22.568 1.00 25.00 O ATOM 578 CB LEU A 37 5.864 10.998 -25.796 1.00 25.00 C ATOM 579 CG LEU A 37 5.871 12.415 -25.206 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.225 12.879 -24.739 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.345 13.396 -26.212 1.00 25.00 C ATOM 0 H LEU A 37 6.283 8.695 -26.563 1.00 25.00 H new ATOM 0 HA LEU A 37 7.442 10.259 -24.509 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.414 11.005 -26.737 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.837 10.719 -26.030 1.00 25.00 H new ATOM 0 HG LEU A 37 5.228 12.369 -24.327 1.00 25.00 H new ATOM 0 HD11 LEU A 37 7.145 13.889 -24.336 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.592 12.207 -23.964 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.920 12.878 -25.579 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.354 14.398 -25.783 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.974 13.377 -27.102 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.324 13.127 -26.483 1.00 25.00 H new ATOM 593 N ILE A 38 4.430 9.044 -23.857 1.00 25.00 N ATOM 594 CA ILE A 38 3.482 8.770 -22.763 1.00 25.00 C ATOM 595 C ILE A 38 4.222 7.999 -21.658 1.00 25.00 C ATOM 596 O ILE A 38 3.983 8.269 -20.494 1.00 25.00 O ATOM 597 CB ILE A 38 2.295 7.939 -23.291 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.431 8.774 -24.245 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.385 7.432 -22.140 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.637 7.950 -25.176 1.00 25.00 C ATOM 0 H ILE A 38 4.149 8.664 -24.761 1.00 25.00 H new ATOM 0 HA ILE A 38 3.093 9.706 -22.362 1.00 25.00 H new ATOM 0 HB ILE A 38 2.724 7.084 -23.813 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.759 9.402 -23.661 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.074 9.442 -24.818 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.562 6.851 -22.556 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.967 6.804 -21.465 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.986 8.284 -21.589 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.048 8.599 -25.824 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.306 7.341 -25.784 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.030 7.301 -24.609 1.00 25.00 H new ATOM 612 N ARG A 39 5.113 7.081 -21.988 1.00 25.00 N ATOM 613 CA ARG A 39 5.888 6.359 -20.987 1.00 25.00 C ATOM 614 C ARG A 39 6.631 7.348 -20.073 1.00 25.00 C ATOM 615 O ARG A 39 6.583 7.206 -18.838 1.00 25.00 O ATOM 616 CB ARG A 39 6.879 5.410 -21.698 1.00 25.00 C ATOM 617 CG ARG A 39 7.326 4.187 -20.914 1.00 25.00 C ATOM 618 CD ARG A 39 6.470 2.932 -21.285 1.00 25.00 C ATOM 619 NE ARG A 39 6.937 1.712 -20.597 1.00 25.00 N ATOM 620 CZ ARG A 39 6.332 0.517 -20.641 1.00 25.00 C ATOM 621 NH1 ARG A 39 5.253 0.323 -21.379 1.00 25.00 N ATOM 622 NH2 ARG A 39 6.866 -0.468 -19.965 1.00 25.00 N ATOM 0 H ARG A 39 5.321 6.814 -22.950 1.00 25.00 H new ATOM 0 HA ARG A 39 5.219 5.767 -20.363 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.420 5.071 -22.627 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.765 5.983 -21.971 1.00 25.00 H new ATOM 0 HG2 ARG A 39 8.378 3.986 -21.118 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.240 4.386 -19.846 1.00 25.00 H new ATOM 0 HD2 ARG A 39 5.428 3.116 -21.025 1.00 25.00 H new ATOM 0 HD3 ARG A 39 6.507 2.775 -22.363 1.00 25.00 H new ATOM 0 HE ARG A 39 7.790 1.785 -20.043 1.00 25.00 H new ATOM 0 HH11 ARG A 39 4.866 1.090 -21.928 1.00 25.00 H new ATOM 0 HH12 ARG A 39 4.807 -0.594 -21.399 1.00 25.00 H new ATOM 0 HH21 ARG A 39 7.718 -0.314 -19.426 1.00 25.00 H new ATOM 0 HH22 ARG A 39 6.430 -1.390 -19.977 1.00 25.00 H new ATOM 636 N GLN A 40 7.312 8.339 -20.661 1.00 25.00 N ATOM 637 CA GLN A 40 8.061 9.335 -19.871 1.00 25.00 C ATOM 638 C GLN A 40 7.127 10.202 -19.025 1.00 25.00 C ATOM 639 O GLN A 40 7.422 10.422 -17.868 1.00 25.00 O ATOM 640 CB GLN A 40 8.902 10.222 -20.787 1.00 25.00 C ATOM 641 CG GLN A 40 9.829 11.169 -20.003 1.00 25.00 C ATOM 642 CD GLN A 40 10.692 12.023 -20.931 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.195 12.878 -21.651 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.977 11.760 -20.921 1.00 25.00 N ATOM 0 H GLN A 40 7.363 8.476 -21.671 1.00 25.00 H new ATOM 0 HA GLN A 40 8.719 8.787 -19.196 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.502 9.593 -21.445 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.242 10.810 -21.424 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.229 11.819 -19.366 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.472 10.584 -19.346 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.345 11.037 -20.302 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.608 12.278 -21.532 1.00 25.00 H new ATOM 653 N LEU A 41 6.015 10.657 -19.585 1.00 25.00 N ATOM 654 CA LEU A 41 5.100 11.568 -18.862 1.00 25.00 C ATOM 655 C LEU A 41 4.616 10.870 -17.595 1.00 25.00 C ATOM 656 O LEU A 41 4.497 11.471 -16.537 1.00 25.00 O ATOM 657 CB LEU A 41 3.893 11.934 -19.769 1.00 25.00 C ATOM 658 CG LEU A 41 4.246 12.709 -21.057 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.069 12.702 -22.034 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.670 14.147 -20.791 1.00 25.00 C ATOM 0 H LEU A 41 5.715 10.420 -20.530 1.00 25.00 H new ATOM 0 HA LEU A 41 5.622 12.487 -18.597 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.377 11.015 -20.048 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.190 12.530 -19.187 1.00 25.00 H new ATOM 0 HG LEU A 41 5.098 12.190 -21.495 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.340 13.254 -22.934 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.822 11.674 -22.299 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.205 13.173 -21.566 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.905 14.638 -21.736 1.00 25.00 H new ATOM 0 HD22 LEU A 41 3.858 14.680 -20.297 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.551 14.154 -20.150 1.00 25.00 H new ATOM 672 N GLN A 42 4.304 9.598 -17.709 1.00 25.00 N ATOM 673 CA GLN A 42 3.800 8.832 -16.566 1.00 25.00 C ATOM 674 C GLN A 42 4.911 8.622 -15.525 1.00 25.00 C ATOM 675 O GLN A 42 4.640 8.563 -14.302 1.00 25.00 O ATOM 676 CB GLN A 42 3.274 7.489 -17.050 1.00 25.00 C ATOM 677 CG GLN A 42 2.014 7.655 -17.941 1.00 25.00 C ATOM 678 CD GLN A 42 1.525 6.348 -18.536 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.336 6.092 -18.617 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.428 5.516 -18.953 1.00 25.00 N ATOM 0 H GLN A 42 4.386 9.064 -18.574 1.00 25.00 H new ATOM 0 HA GLN A 42 2.991 9.389 -16.094 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.053 6.974 -17.613 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.033 6.861 -16.192 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.214 8.098 -17.348 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.237 8.353 -18.748 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.417 5.754 -18.874 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.150 4.623 -19.360 1.00 25.00 H new ATOM 689 N GLU A 43 6.146 8.528 -15.995 1.00 25.00 N ATOM 690 CA GLU A 43 7.274 8.356 -15.094 1.00 25.00 C ATOM 691 C GLU A 43 7.493 9.620 -14.258 1.00 25.00 C ATOM 692 O GLU A 43 7.771 9.542 -13.062 1.00 25.00 O ATOM 693 CB GLU A 43 8.542 8.008 -15.857 1.00 25.00 C ATOM 694 CG GLU A 43 9.581 7.290 -15.011 1.00 25.00 C ATOM 695 CD GLU A 43 11.011 7.577 -15.462 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.249 7.809 -16.672 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.911 7.599 -14.578 1.00 25.00 O ATOM 0 H GLU A 43 6.390 8.567 -16.984 1.00 25.00 H new ATOM 0 HA GLU A 43 7.041 7.527 -14.426 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.283 7.381 -16.710 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.979 8.923 -16.256 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.466 7.591 -13.970 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.400 6.216 -15.055 1.00 25.00 H new ATOM 704 N GLN A 44 7.324 10.782 -14.896 1.00 25.00 N ATOM 705 CA GLN A 44 7.451 12.064 -14.196 1.00 25.00 C ATOM 706 C GLN A 44 6.238 12.349 -13.280 1.00 25.00 C ATOM 707 O GLN A 44 6.386 12.849 -12.157 1.00 25.00 O ATOM 708 CB GLN A 44 7.552 13.213 -15.218 1.00 25.00 C ATOM 709 CG GLN A 44 8.811 13.190 -16.081 1.00 25.00 C ATOM 710 CD GLN A 44 8.704 14.178 -17.217 1.00 25.00 C ATOM 711 OE1 GLN A 44 7.864 14.049 -18.061 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.546 15.155 -17.232 1.00 25.00 N ATOM 0 H GLN A 44 7.101 10.862 -15.888 1.00 25.00 H new ATOM 0 HA GLN A 44 8.351 12.002 -13.584 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.680 13.178 -15.871 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.512 14.162 -14.683 1.00 25.00 H new ATOM 0 HG2 GLN A 44 9.681 13.427 -15.468 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.965 12.187 -16.479 1.00 25.00 H new ATOM 0 HE21 GLN A 44 10.249 15.234 -16.497 1.00 25.00 H new ATOM 0 HE22 GLN A 44 9.509 15.849 -17.979 1.00 25.00 H new ATOM 721 N HIS A 45 5.044 11.994 -13.739 1.00 25.00 N ATOM 722 CA HIS A 45 3.825 12.134 -12.930 1.00 25.00 C ATOM 723 C HIS A 45 3.953 11.244 -11.663 1.00 25.00 C ATOM 724 O HIS A 45 3.461 11.622 -10.613 1.00 25.00 O ATOM 725 CB HIS A 45 2.591 11.705 -13.751 1.00 25.00 C ATOM 726 CG HIS A 45 1.260 11.984 -13.072 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.850 11.400 -11.890 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.213 12.794 -13.429 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.363 11.855 -11.605 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.796 12.698 -12.518 1.00 25.00 N ATOM 0 H HIS A 45 4.887 11.605 -14.669 1.00 25.00 H new ATOM 0 HA HIS A 45 3.702 13.176 -12.636 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.611 12.221 -14.711 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.662 10.638 -13.961 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.191 13.420 -14.309 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.927 11.568 -10.730 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.696 13.178 -12.539 1.00 25.00 H new ATOM 738 N TYR A 46 4.649 10.123 -11.757 1.00 25.00 N ATOM 739 CA TYR A 46 4.881 9.247 -10.592 1.00 25.00 C ATOM 740 C TYR A 46 5.664 9.979 -9.521 1.00 25.00 C ATOM 741 O TYR A 46 5.402 9.804 -8.329 1.00 25.00 O ATOM 742 CB TYR A 46 5.670 7.988 -11.020 1.00 25.00 C ATOM 743 CG TYR A 46 5.804 6.980 -9.883 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.808 6.022 -9.627 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.944 7.000 -9.013 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.910 5.108 -8.549 1.00 25.00 C ATOM 747 CE2 TYR A 46 7.032 6.099 -7.936 1.00 25.00 C ATOM 748 CZ TYR A 46 5.995 5.195 -7.711 1.00 25.00 C ATOM 749 OH TYR A 46 6.107 4.339 -6.639 1.00 25.00 O ATOM 0 H TYR A 46 5.069 9.787 -12.624 1.00 25.00 H new ATOM 0 HA TYR A 46 3.911 8.954 -10.191 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.168 7.516 -11.865 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.662 8.282 -11.362 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.941 5.981 -10.270 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.739 7.710 -9.185 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.150 4.358 -8.389 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.896 6.108 -7.289 1.00 25.00 H new ATOM 0 HH TYR A 46 6.284 4.855 -5.825 1.00 25.00 H new ATOM 759 N GLN A 47 6.598 10.834 -9.907 1.00 25.00 N ATOM 760 CA GLN A 47 7.405 11.566 -8.905 1.00 25.00 C ATOM 761 C GLN A 47 6.570 12.664 -8.215 1.00 25.00 C ATOM 762 O GLN A 47 6.689 12.868 -7.020 1.00 25.00 O ATOM 763 CB GLN A 47 8.652 12.159 -9.534 1.00 25.00 C ATOM 764 CG GLN A 47 9.606 11.089 -10.082 1.00 25.00 C ATOM 765 CD GLN A 47 10.744 11.681 -10.866 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.546 12.306 -11.894 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.946 11.476 -10.426 1.00 25.00 N ATOM 0 H GLN A 47 6.824 11.045 -10.879 1.00 25.00 H new ATOM 0 HA GLN A 47 7.717 10.849 -8.146 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.362 12.830 -10.343 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.176 12.762 -8.793 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.005 10.504 -9.254 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.049 10.402 -10.719 1.00 25.00 H new ATOM 0 HE21 GLN A 47 12.091 10.951 -9.564 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.747 11.840 -10.942 1.00 25.00 H new ATOM 776 N GLN A 48 5.690 13.336 -8.970 1.00 25.00 N ATOM 777 CA GLN A 48 4.804 14.318 -8.386 1.00 25.00 C ATOM 778 C GLN A 48 3.810 13.625 -7.431 1.00 25.00 C ATOM 779 O GLN A 48 3.512 14.121 -6.324 1.00 25.00 O ATOM 780 CB GLN A 48 4.061 15.042 -9.525 1.00 25.00 C ATOM 781 CG GLN A 48 4.569 16.441 -9.794 1.00 25.00 C ATOM 782 CD GLN A 48 6.031 16.464 -10.202 1.00 25.00 C ATOM 783 OE1 GLN A 48 6.853 17.018 -9.512 1.00 25.00 O ATOM 784 NE2 GLN A 48 6.328 15.881 -11.349 1.00 25.00 N ATOM 0 H GLN A 48 5.583 13.210 -9.977 1.00 25.00 H new ATOM 0 HA GLN A 48 5.372 15.046 -7.806 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.150 14.452 -10.437 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.000 15.092 -9.280 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.969 16.896 -10.582 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.436 17.050 -8.900 1.00 25.00 H new ATOM 0 HE21 GLN A 48 5.596 15.426 -11.895 1.00 25.00 H new ATOM 0 HE22 GLN A 48 7.290 15.885 -11.689 1.00 25.00 H new ATOM 793 N TYR A 49 3.339 12.481 -7.834 1.00 25.00 N ATOM 794 CA TYR A 49 2.423 11.714 -6.988 1.00 25.00 C ATOM 795 C TYR A 49 3.125 11.235 -5.726 1.00 25.00 C ATOM 796 O TYR A 49 2.578 11.362 -4.623 1.00 25.00 O ATOM 797 CB TYR A 49 1.881 10.528 -7.772 1.00 25.00 C ATOM 798 CG TYR A 49 0.725 9.813 -7.054 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.394 10.515 -6.590 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.778 8.421 -6.821 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.464 9.847 -5.896 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.276 7.776 -6.145 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.386 8.464 -5.699 1.00 25.00 C ATOM 804 OH TYR A 49 -2.389 7.822 -4.994 1.00 25.00 O ATOM 0 H TYR A 49 3.561 12.048 -8.731 1.00 25.00 H new ATOM 0 HA TYR A 49 1.596 12.359 -6.690 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.539 10.871 -8.749 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.688 9.817 -7.948 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.456 11.580 -6.756 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.629 7.850 -7.162 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.314 10.405 -5.533 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.214 6.712 -5.971 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.191 6.863 -4.944 1.00 25.00 H new ATOM 814 N MET A 50 4.347 10.742 -5.841 1.00 25.00 N ATOM 815 CA MET A 50 5.083 10.267 -4.670 1.00 25.00 C ATOM 816 C MET A 50 5.310 11.434 -3.733 1.00 25.00 C ATOM 817 O MET A 50 5.161 11.296 -2.514 1.00 25.00 O ATOM 818 CB MET A 50 6.409 9.603 -5.067 1.00 25.00 C ATOM 819 CG MET A 50 6.944 8.593 -4.038 1.00 25.00 C ATOM 820 SD MET A 50 6.603 6.853 -4.476 1.00 25.00 S ATOM 821 CE MET A 50 4.760 6.737 -4.667 1.00 25.00 C ATOM 0 H MET A 50 4.851 10.658 -6.724 1.00 25.00 H new ATOM 0 HA MET A 50 4.495 9.503 -4.162 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.276 9.095 -6.022 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.159 10.379 -5.221 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.021 8.729 -3.934 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.500 8.808 -3.066 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.485 5.716 -4.931 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.279 7.011 -3.728 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.432 7.416 -5.454 1.00 25.00 H new