USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 48 GLN : amide:sc= -7.26! C(o=-11!,f=-6.5!) USER MOD Set 1.2: A 49 ASN : amide:sc= -4.11! C(o=-11!,f=-14!) USER MOD Set 2.1: A 25 THR OG1 : rot 124:sc= 1.46 USER MOD Set 2.2: A 27 SER OG : rot -35:sc= 0.596 USER MOD Set 3.1: A 8 TYR OH : rot -170:sc= -1.06 USER MOD Set 3.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.362 USER MOD Single : A 13 THR OG1 : rot -6:sc= -0.549 USER MOD Single : A 14 MET CE :methyl 167:sc= -0.521 (180deg=-1.03) USER MOD Single : A 18 GLN : amide:sc= -3.39! C(o=-3.4!,f=-5.9!) USER MOD Single : A 19 SER OG : rot -99:sc= 1.11 USER MOD Single : A 21 GLN : amide:sc=-0.00423 K(o=-0.0042,f=-0.84) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0221) USER MOD Single : A 30 CYS SG : rot 50:sc= 1.4 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0956 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -160:sc= -0.397 USER MOD Single : A 53 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-0.96) USER MOD Single : A 54 ASN : amide:sc= -1.26 K(o=-1.3,f=-1.9!) USER MOD Single : A 56 SER OG : rot -140:sc= -0.409 USER MOD Single : A 58 ASN : amide:sc= -1.43! X(o=-1.4!,f=-0.96) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= 1.01 (180deg=-0.0109) USER MOD Single : A 70 ASN : amide:sc= -4.3! C(o=-4.3!,f=-9.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.97 K(o=-0.97,f=-0.39) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 SER OG : rot -140:sc= -0.425 USER MOD Single : A 86 MET CE :methyl -165:sc= -6.29! (180deg=-6.72!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 5.132 10.639 2.037 1.00 0.00 N ATOM 89 CA SER A 7 6.408 11.332 2.083 1.00 0.00 C ATOM 90 C SER A 7 7.383 10.574 2.988 1.00 0.00 C ATOM 91 O SER A 7 6.964 9.885 3.916 1.00 0.00 O ATOM 92 CB SER A 7 6.237 12.770 2.574 1.00 0.00 C ATOM 93 OG SER A 7 7.144 13.664 1.935 1.00 0.00 O ATOM 0 HA SER A 7 6.814 11.368 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.214 13.097 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.392 12.806 3.652 1.00 0.00 H new ATOM 0 HG SER A 7 7.002 14.572 2.275 1.00 0.00 H new ATOM 99 N TYR A 8 8.663 10.729 2.685 1.00 0.00 N ATOM 100 CA TYR A 8 9.700 10.068 3.459 1.00 0.00 C ATOM 101 C TYR A 8 10.120 10.924 4.655 1.00 0.00 C ATOM 102 O TYR A 8 10.870 10.467 5.517 1.00 0.00 O ATOM 103 CB TYR A 8 10.894 9.909 2.516 1.00 0.00 C ATOM 104 CG TYR A 8 10.554 9.226 1.190 1.00 0.00 C ATOM 105 CD1 TYR A 8 10.049 9.968 0.141 1.00 0.00 C ATOM 106 CD2 TYR A 8 10.751 7.868 1.043 1.00 0.00 C ATOM 107 CE1 TYR A 8 9.728 9.325 -1.107 1.00 0.00 C ATOM 108 CE2 TYR A 8 10.430 7.225 -0.205 1.00 0.00 C ATOM 109 CZ TYR A 8 9.935 7.985 -1.218 1.00 0.00 C ATOM 110 OH TYR A 8 9.632 7.378 -2.397 1.00 0.00 O ATOM 0 H TYR A 8 9.006 11.303 1.914 1.00 0.00 H new ATOM 0 HA TYR A 8 9.342 9.113 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.313 10.893 2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.669 9.332 3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.895 11.031 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 8 11.146 7.288 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.332 9.893 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.579 6.163 -0.333 1.00 0.00 H new ATOM 0 HH TYR A 8 9.678 6.405 -2.285 1.00 0.00 H new ATOM 120 N ILE A 9 9.620 12.151 4.669 1.00 0.00 N ATOM 121 CA ILE A 9 9.934 13.075 5.746 1.00 0.00 C ATOM 122 C ILE A 9 9.963 12.314 7.073 1.00 0.00 C ATOM 123 O ILE A 9 10.858 12.519 7.891 1.00 0.00 O ATOM 124 CB ILE A 9 8.964 14.258 5.736 1.00 0.00 C ATOM 125 CG1 ILE A 9 7.550 13.812 6.110 1.00 0.00 C ATOM 126 CG2 ILE A 9 8.999 14.984 4.389 1.00 0.00 C ATOM 127 CD1 ILE A 9 7.332 13.890 7.622 1.00 0.00 C ATOM 0 H ILE A 9 9.000 12.527 3.952 1.00 0.00 H new ATOM 0 HA ILE A 9 10.926 13.504 5.603 1.00 0.00 H new ATOM 0 HB ILE A 9 9.287 14.971 6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.820 14.441 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.385 12.791 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.301 15.821 4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.006 15.356 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.715 14.293 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.319 13.567 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.048 13.241 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.474 14.917 7.958 1.00 0.00 H new ATOM 139 N ALA A 10 8.971 11.452 7.246 1.00 0.00 N ATOM 140 CA ALA A 10 8.872 10.660 8.460 1.00 0.00 C ATOM 141 C ALA A 10 10.125 9.794 8.603 1.00 0.00 C ATOM 142 O ALA A 10 10.764 9.789 9.654 1.00 0.00 O ATOM 143 CB ALA A 10 7.589 9.828 8.423 1.00 0.00 C ATOM 0 H ALA A 10 8.229 11.285 6.566 1.00 0.00 H new ATOM 0 HA ALA A 10 8.817 11.306 9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.514 9.234 9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.727 10.491 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.610 9.165 7.558 1.00 0.00 H new ATOM 149 N LEU A 11 10.439 9.082 7.530 1.00 0.00 N ATOM 150 CA LEU A 11 11.604 8.214 7.523 1.00 0.00 C ATOM 151 C LEU A 11 12.859 9.050 7.783 1.00 0.00 C ATOM 152 O LEU A 11 13.809 8.574 8.403 1.00 0.00 O ATOM 153 CB LEU A 11 11.662 7.406 6.226 1.00 0.00 C ATOM 154 CG LEU A 11 10.508 6.428 5.992 1.00 0.00 C ATOM 155 CD1 LEU A 11 10.200 6.289 4.500 1.00 0.00 C ATOM 156 CD2 LEU A 11 10.795 5.076 6.647 1.00 0.00 C ATOM 0 H LEU A 11 9.907 9.089 6.660 1.00 0.00 H new ATOM 0 HA LEU A 11 11.537 7.480 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.697 8.103 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.596 6.845 6.213 1.00 0.00 H new ATOM 0 HG LEU A 11 9.615 6.833 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.376 5.588 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.921 7.261 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.083 5.918 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.960 4.399 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.705 4.652 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.925 5.212 7.721 1.00 0.00 H new ATOM 168 N ILE A 12 12.822 10.282 7.297 1.00 0.00 N ATOM 169 CA ILE A 12 13.945 11.189 7.469 1.00 0.00 C ATOM 170 C ILE A 12 14.120 11.500 8.957 1.00 0.00 C ATOM 171 O ILE A 12 15.157 11.193 9.541 1.00 0.00 O ATOM 172 CB ILE A 12 13.767 12.433 6.597 1.00 0.00 C ATOM 173 CG1 ILE A 12 13.555 12.050 5.131 1.00 0.00 C ATOM 174 CG2 ILE A 12 14.941 13.398 6.773 1.00 0.00 C ATOM 175 CD1 ILE A 12 14.576 11.002 4.685 1.00 0.00 C ATOM 0 H ILE A 12 12.032 10.674 6.784 1.00 0.00 H new ATOM 0 HA ILE A 12 14.869 10.721 7.130 1.00 0.00 H new ATOM 0 HB ILE A 12 12.868 12.955 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.546 11.661 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.641 12.937 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 12 14.790 14.274 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 12 15.004 13.708 7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.867 12.900 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.403 10.747 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.583 11.403 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.471 10.107 5.298 1.00 0.00 H new ATOM 187 N THR A 13 13.089 12.106 9.527 1.00 0.00 N ATOM 188 CA THR A 13 13.115 12.462 10.935 1.00 0.00 C ATOM 189 C THR A 13 13.652 11.298 11.770 1.00 0.00 C ATOM 190 O THR A 13 14.393 11.507 12.730 1.00 0.00 O ATOM 191 CB THR A 13 11.706 12.900 11.339 1.00 0.00 C ATOM 192 OG1 THR A 13 10.867 11.850 10.866 1.00 0.00 O ATOM 193 CG2 THR A 13 11.232 14.132 10.566 1.00 0.00 C ATOM 0 H THR A 13 12.230 12.360 9.039 1.00 0.00 H new ATOM 0 HA THR A 13 13.795 13.294 11.119 1.00 0.00 H new ATOM 0 HB THR A 13 11.684 13.111 12.408 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.401 11.213 10.348 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.227 14.401 10.891 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.910 14.964 10.757 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.221 13.910 9.499 1.00 0.00 H new ATOM 201 N MET A 14 13.258 10.097 11.374 1.00 0.00 N ATOM 202 CA MET A 14 13.691 8.899 12.074 1.00 0.00 C ATOM 203 C MET A 14 15.119 8.518 11.678 1.00 0.00 C ATOM 204 O MET A 14 15.837 7.892 12.456 1.00 0.00 O ATOM 205 CB MET A 14 12.743 7.744 11.742 1.00 0.00 C ATOM 206 CG MET A 14 12.732 6.705 12.866 1.00 0.00 C ATOM 207 SD MET A 14 11.342 5.603 12.664 1.00 0.00 S ATOM 208 CE MET A 14 11.850 4.731 11.192 1.00 0.00 C ATOM 0 H MET A 14 12.644 9.927 10.578 1.00 0.00 H new ATOM 0 HA MET A 14 13.673 9.100 13.145 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.735 8.129 11.587 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.051 7.273 10.809 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.662 6.136 12.856 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.674 7.204 13.833 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.218 3.854 11.053 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.753 5.389 10.328 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.889 4.418 11.295 1.00 0.00 H new ATOM 218 N ALA A 15 15.488 8.912 10.468 1.00 0.00 N ATOM 219 CA ALA A 15 16.817 8.620 9.959 1.00 0.00 C ATOM 220 C ALA A 15 17.844 9.469 10.710 1.00 0.00 C ATOM 221 O ALA A 15 18.952 9.011 10.986 1.00 0.00 O ATOM 222 CB ALA A 15 16.851 8.864 8.449 1.00 0.00 C ATOM 0 H ALA A 15 14.890 9.431 9.825 1.00 0.00 H new ATOM 0 HA ALA A 15 17.070 7.573 10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 15 17.848 8.645 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.124 8.216 7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.605 9.906 8.243 1.00 0.00 H new ATOM 228 N ILE A 16 17.440 10.693 11.019 1.00 0.00 N ATOM 229 CA ILE A 16 18.311 11.610 11.733 1.00 0.00 C ATOM 230 C ILE A 16 18.252 11.303 13.230 1.00 0.00 C ATOM 231 O ILE A 16 19.246 11.455 13.939 1.00 0.00 O ATOM 232 CB ILE A 16 17.961 13.059 11.389 1.00 0.00 C ATOM 233 CG1 ILE A 16 18.549 13.459 10.034 1.00 0.00 C ATOM 234 CG2 ILE A 16 18.397 14.009 12.506 1.00 0.00 C ATOM 235 CD1 ILE A 16 17.804 12.772 8.888 1.00 0.00 C ATOM 0 H ILE A 16 16.521 11.070 10.788 1.00 0.00 H new ATOM 0 HA ILE A 16 19.346 11.473 11.420 1.00 0.00 H new ATOM 0 HB ILE A 16 16.877 13.137 11.305 1.00 0.00 H new ATOM 0 HG12 ILE A 16 18.491 14.541 9.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 19.605 13.191 9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.136 15.032 12.236 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.891 13.738 13.432 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.475 13.934 12.647 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.242 13.074 7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.885 11.691 8.998 1.00 0.00 H new ATOM 0 HD13 ILE A 16 16.753 13.062 8.912 1.00 0.00 H new ATOM 247 N LEU A 17 17.077 10.875 13.668 1.00 0.00 N ATOM 248 CA LEU A 17 16.876 10.545 15.069 1.00 0.00 C ATOM 249 C LEU A 17 17.537 9.198 15.371 1.00 0.00 C ATOM 250 O LEU A 17 18.219 9.051 16.383 1.00 0.00 O ATOM 251 CB LEU A 17 15.388 10.592 15.422 1.00 0.00 C ATOM 252 CG LEU A 17 14.871 11.923 15.972 1.00 0.00 C ATOM 253 CD1 LEU A 17 15.437 12.197 17.366 1.00 0.00 C ATOM 254 CD2 LEU A 17 15.162 13.068 15.000 1.00 0.00 C ATOM 0 H LEU A 17 16.255 10.749 13.078 1.00 0.00 H new ATOM 0 HA LEU A 17 17.356 11.287 15.708 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.815 10.344 14.529 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.185 9.814 16.158 1.00 0.00 H new ATOM 0 HG LEU A 17 13.788 11.853 16.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.054 13.149 17.734 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.136 11.398 18.044 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.525 12.239 17.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.784 14.002 15.415 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.238 13.149 14.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.671 12.870 14.047 1.00 0.00 H new ATOM 266 N GLN A 18 17.311 8.250 14.474 1.00 0.00 N ATOM 267 CA GLN A 18 17.876 6.920 14.631 1.00 0.00 C ATOM 268 C GLN A 18 19.404 6.992 14.648 1.00 0.00 C ATOM 269 O GLN A 18 20.069 6.038 15.048 1.00 0.00 O ATOM 270 CB GLN A 18 17.383 5.981 13.529 1.00 0.00 C ATOM 271 CG GLN A 18 17.969 6.373 12.172 1.00 0.00 C ATOM 272 CD GLN A 18 19.358 5.762 11.977 1.00 0.00 C ATOM 273 OE1 GLN A 18 19.855 5.011 12.800 1.00 0.00 O ATOM 274 NE2 GLN A 18 19.956 6.125 10.846 1.00 0.00 N ATOM 0 H GLN A 18 16.744 8.376 13.635 1.00 0.00 H new ATOM 0 HA GLN A 18 17.540 6.514 15.585 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.664 4.955 13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.294 6.010 13.481 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.305 6.038 11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.032 7.459 12.099 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.484 6.757 10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.887 5.771 10.625 1.00 0.00 H new ATOM 283 N SER A 19 19.916 8.132 14.209 1.00 0.00 N ATOM 284 CA SER A 19 21.353 8.341 14.168 1.00 0.00 C ATOM 285 C SER A 19 21.721 9.604 14.949 1.00 0.00 C ATOM 286 O SER A 19 22.148 10.598 14.364 1.00 0.00 O ATOM 287 CB SER A 19 21.854 8.443 12.726 1.00 0.00 C ATOM 288 OG SER A 19 21.207 9.491 12.009 1.00 0.00 O ATOM 0 H SER A 19 19.361 8.921 13.878 1.00 0.00 H new ATOM 0 HA SER A 19 21.837 7.481 14.632 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.930 8.615 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.684 7.495 12.215 1.00 0.00 H new ATOM 0 HG SER A 19 20.488 9.116 11.459 1.00 0.00 H new ATOM 294 N PRO A 20 21.538 9.521 16.294 1.00 0.00 N ATOM 295 CA PRO A 20 21.846 10.646 17.162 1.00 0.00 C ATOM 296 C PRO A 20 23.358 10.801 17.342 1.00 0.00 C ATOM 297 O PRO A 20 23.822 11.801 17.889 1.00 0.00 O ATOM 298 CB PRO A 20 21.121 10.349 18.463 1.00 0.00 C ATOM 299 CG PRO A 20 20.818 8.859 18.441 1.00 0.00 C ATOM 300 CD PRO A 20 21.036 8.360 17.022 1.00 0.00 C ATOM 0 HA PRO A 20 21.518 11.599 16.748 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.739 10.609 19.323 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.204 10.933 18.541 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.467 8.327 19.137 1.00 0.00 H new ATOM 0 HG3 PRO A 20 19.792 8.673 18.757 1.00 0.00 H new ATOM 0 HD2 PRO A 20 21.751 7.537 16.997 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.108 7.990 16.586 1.00 0.00 H new ATOM 308 N GLN A 21 24.084 9.798 16.871 1.00 0.00 N ATOM 309 CA GLN A 21 25.533 9.811 16.974 1.00 0.00 C ATOM 310 C GLN A 21 26.122 10.874 16.044 1.00 0.00 C ATOM 311 O GLN A 21 27.327 11.121 16.061 1.00 0.00 O ATOM 312 CB GLN A 21 26.117 8.430 16.666 1.00 0.00 C ATOM 313 CG GLN A 21 26.984 7.931 17.824 1.00 0.00 C ATOM 314 CD GLN A 21 28.303 8.703 17.894 1.00 0.00 C ATOM 315 OE1 GLN A 21 28.927 9.008 16.891 1.00 0.00 O ATOM 316 NE2 GLN A 21 28.691 9.001 19.130 1.00 0.00 N ATOM 0 H GLN A 21 23.696 8.971 16.417 1.00 0.00 H new ATOM 0 HA GLN A 21 25.802 10.063 18.000 1.00 0.00 H new ATOM 0 HB2 GLN A 21 25.309 7.722 16.481 1.00 0.00 H new ATOM 0 HB3 GLN A 21 26.713 8.478 15.755 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.442 8.044 18.763 1.00 0.00 H new ATOM 0 HG3 GLN A 21 27.187 6.867 17.699 1.00 0.00 H new ATOM 0 HE21 GLN A 21 28.121 8.715 19.926 1.00 0.00 H new ATOM 0 HE22 GLN A 21 29.559 9.515 19.282 1.00 0.00 H new ATOM 325 N LYS A 22 25.244 11.475 15.254 1.00 0.00 N ATOM 326 CA LYS A 22 25.662 12.506 14.319 1.00 0.00 C ATOM 327 C LYS A 22 26.442 11.862 13.171 1.00 0.00 C ATOM 328 O LYS A 22 27.664 11.980 13.104 1.00 0.00 O ATOM 329 CB LYS A 22 26.435 13.607 15.046 1.00 0.00 C ATOM 330 CG LYS A 22 26.185 14.971 14.400 1.00 0.00 C ATOM 331 CD LYS A 22 25.080 15.733 15.135 1.00 0.00 C ATOM 332 CE LYS A 22 23.728 15.538 14.445 1.00 0.00 C ATOM 333 NZ LYS A 22 22.647 15.418 15.449 1.00 0.00 N ATOM 0 H LYS A 22 24.245 11.268 15.242 1.00 0.00 H new ATOM 0 HA LYS A 22 24.793 12.996 13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 22 26.135 13.636 16.093 1.00 0.00 H new ATOM 0 HB3 LYS A 22 27.501 13.381 15.026 1.00 0.00 H new ATOM 0 HG2 LYS A 22 27.104 15.556 14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.905 14.836 13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.019 15.387 16.167 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.326 16.794 15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 22 23.526 16.380 13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 22 23.756 14.643 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.736 15.286 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 22.834 14.600 16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 22.611 16.283 16.025 1.00 0.00 H new ATOM 347 N LYS A 23 25.703 11.194 12.297 1.00 0.00 N ATOM 348 CA LYS A 23 26.310 10.531 11.156 1.00 0.00 C ATOM 349 C LYS A 23 25.224 9.820 10.346 1.00 0.00 C ATOM 350 O LYS A 23 24.549 8.927 10.857 1.00 0.00 O ATOM 351 CB LYS A 23 27.441 9.607 11.612 1.00 0.00 C ATOM 352 CG LYS A 23 28.716 9.861 10.805 1.00 0.00 C ATOM 353 CD LYS A 23 28.962 8.735 9.799 1.00 0.00 C ATOM 354 CE LYS A 23 29.952 7.710 10.354 1.00 0.00 C ATOM 355 NZ LYS A 23 29.345 6.956 11.474 1.00 0.00 N ATOM 0 H LYS A 23 24.689 11.098 12.356 1.00 0.00 H new ATOM 0 HA LYS A 23 26.774 11.262 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 23 27.640 9.765 12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 23 27.135 8.567 11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 23 28.634 10.812 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 23 29.568 9.943 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 23 28.019 8.243 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 23 29.348 9.152 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 23 30.252 7.021 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 30.855 8.216 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 30.005 6.219 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 29.143 7.606 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 28.460 6.513 11.155 1.00 0.00 H new ATOM 369 N LEU A 24 25.088 10.244 9.098 1.00 0.00 N ATOM 370 CA LEU A 24 24.095 9.659 8.214 1.00 0.00 C ATOM 371 C LEU A 24 24.787 9.129 6.956 1.00 0.00 C ATOM 372 O LEU A 24 25.992 9.307 6.785 1.00 0.00 O ATOM 373 CB LEU A 24 22.977 10.663 7.924 1.00 0.00 C ATOM 374 CG LEU A 24 21.912 10.814 9.012 1.00 0.00 C ATOM 375 CD1 LEU A 24 22.209 12.019 9.906 1.00 0.00 C ATOM 376 CD2 LEU A 24 20.511 10.885 8.401 1.00 0.00 C ATOM 0 H LEU A 24 25.649 10.985 8.678 1.00 0.00 H new ATOM 0 HA LEU A 24 23.611 8.809 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.429 11.639 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.483 10.369 6.998 1.00 0.00 H new ATOM 0 HG LEU A 24 21.943 9.928 9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 24 21.437 12.104 10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 24 23.180 11.887 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 24 22.222 12.926 9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.773 10.992 9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 24 20.450 11.742 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 24 20.311 9.971 7.841 1.00 0.00 H new ATOM 388 N THR A 25 23.995 8.488 6.109 1.00 0.00 N ATOM 389 CA THR A 25 24.516 7.932 4.872 1.00 0.00 C ATOM 390 C THR A 25 23.370 7.541 3.938 1.00 0.00 C ATOM 391 O THR A 25 22.595 6.636 4.244 1.00 0.00 O ATOM 392 CB THR A 25 25.433 6.761 5.231 1.00 0.00 C ATOM 393 OG1 THR A 25 25.671 6.111 3.985 1.00 0.00 O ATOM 394 CG2 THR A 25 24.725 5.699 6.075 1.00 0.00 C ATOM 0 H THR A 25 22.996 8.341 6.255 1.00 0.00 H new ATOM 0 HA THR A 25 25.103 8.669 4.323 1.00 0.00 H new ATOM 0 HB THR A 25 26.302 7.135 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 25 26.636 6.059 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.421 4.891 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.374 6.147 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.875 5.301 5.521 1.00 0.00 H new ATOM 402 N LEU A 26 23.297 8.244 2.817 1.00 0.00 N ATOM 403 CA LEU A 26 22.258 7.982 1.835 1.00 0.00 C ATOM 404 C LEU A 26 22.142 6.473 1.612 1.00 0.00 C ATOM 405 O LEU A 26 21.038 5.937 1.528 1.00 0.00 O ATOM 406 CB LEU A 26 22.519 8.775 0.554 1.00 0.00 C ATOM 407 CG LEU A 26 21.455 8.655 -0.539 1.00 0.00 C ATOM 408 CD1 LEU A 26 21.715 7.437 -1.426 1.00 0.00 C ATOM 409 CD2 LEU A 26 20.049 8.634 0.066 1.00 0.00 C ATOM 0 H LEU A 26 23.941 8.995 2.567 1.00 0.00 H new ATOM 0 HA LEU A 26 21.291 8.325 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.624 9.828 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.475 8.453 0.140 1.00 0.00 H new ATOM 0 HG LEU A 26 21.519 9.537 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.944 7.375 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.692 7.533 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.694 6.533 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.311 8.548 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.956 7.782 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.878 9.556 0.621 1.00 0.00 H new ATOM 421 N SER A 27 23.297 5.830 1.521 1.00 0.00 N ATOM 422 CA SER A 27 23.339 4.393 1.309 1.00 0.00 C ATOM 423 C SER A 27 22.569 3.677 2.420 1.00 0.00 C ATOM 424 O SER A 27 21.702 2.849 2.145 1.00 0.00 O ATOM 425 CB SER A 27 24.782 3.887 1.252 1.00 0.00 C ATOM 426 OG SER A 27 25.539 4.304 2.385 1.00 0.00 O ATOM 0 H SER A 27 24.211 6.278 1.590 1.00 0.00 H new ATOM 0 HA SER A 27 22.868 4.175 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.783 2.798 1.196 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.259 4.253 0.343 1.00 0.00 H new ATOM 0 HG SER A 27 25.246 5.197 2.664 1.00 0.00 H new ATOM 432 N GLY A 28 22.913 4.022 3.652 1.00 0.00 N ATOM 433 CA GLY A 28 22.264 3.423 4.806 1.00 0.00 C ATOM 434 C GLY A 28 20.819 3.909 4.937 1.00 0.00 C ATOM 435 O GLY A 28 19.968 3.199 5.470 1.00 0.00 O ATOM 0 H GLY A 28 23.633 4.709 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.279 2.337 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.819 3.673 5.710 1.00 0.00 H new ATOM 439 N ILE A 29 20.587 5.115 4.441 1.00 0.00 N ATOM 440 CA ILE A 29 19.260 5.704 4.496 1.00 0.00 C ATOM 441 C ILE A 29 18.323 4.926 3.569 1.00 0.00 C ATOM 442 O ILE A 29 17.312 4.386 4.014 1.00 0.00 O ATOM 443 CB ILE A 29 19.325 7.201 4.189 1.00 0.00 C ATOM 444 CG1 ILE A 29 19.319 8.026 5.477 1.00 0.00 C ATOM 445 CG2 ILE A 29 18.200 7.616 3.238 1.00 0.00 C ATOM 446 CD1 ILE A 29 20.679 8.689 5.710 1.00 0.00 C ATOM 0 H ILE A 29 21.296 5.701 3.999 1.00 0.00 H new ATOM 0 HA ILE A 29 18.850 5.626 5.503 1.00 0.00 H new ATOM 0 HB ILE A 29 20.268 7.404 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 29 18.543 8.789 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 29 19.074 7.384 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 29 18.270 8.685 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 29 18.292 7.064 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 29 17.236 7.395 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 20.648 9.269 6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 29 21.449 7.922 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 29 20.910 9.349 4.874 1.00 0.00 H new ATOM 458 N CYS A 30 18.693 4.895 2.297 1.00 0.00 N ATOM 459 CA CYS A 30 17.899 4.192 1.304 1.00 0.00 C ATOM 460 C CYS A 30 17.737 2.740 1.758 1.00 0.00 C ATOM 461 O CYS A 30 16.688 2.133 1.546 1.00 0.00 O ATOM 462 CB CYS A 30 18.522 4.288 -0.090 1.00 0.00 C ATOM 463 SG CYS A 30 17.812 3.003 -1.183 1.00 0.00 S ATOM 0 H CYS A 30 19.532 5.345 1.931 1.00 0.00 H new ATOM 0 HA CYS A 30 16.917 4.658 1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 30 18.340 5.277 -0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 30 19.603 4.164 -0.024 1.00 0.00 H new ATOM 0 HG CYS A 30 16.514 3.043 -1.113 1.00 0.00 H new ATOM 469 N GLU A 31 18.791 2.225 2.373 1.00 0.00 N ATOM 470 CA GLU A 31 18.779 0.855 2.858 1.00 0.00 C ATOM 471 C GLU A 31 17.952 0.754 4.141 1.00 0.00 C ATOM 472 O GLU A 31 17.456 -0.319 4.482 1.00 0.00 O ATOM 473 CB GLU A 31 20.202 0.340 3.081 1.00 0.00 C ATOM 474 CG GLU A 31 20.223 -1.187 3.177 1.00 0.00 C ATOM 475 CD GLU A 31 21.497 -1.758 2.550 1.00 0.00 C ATOM 476 OE1 GLU A 31 21.489 -1.936 1.313 1.00 0.00 O ATOM 477 OE2 GLU A 31 22.449 -2.002 3.322 1.00 0.00 O ATOM 0 H GLU A 31 19.659 2.731 2.547 1.00 0.00 H new ATOM 0 HA GLU A 31 18.315 0.225 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.843 0.665 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.610 0.771 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.160 -1.490 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.349 -1.599 2.673 1.00 0.00 H new ATOM 484 N PHE A 32 17.828 1.886 4.819 1.00 0.00 N ATOM 485 CA PHE A 32 17.070 1.939 6.057 1.00 0.00 C ATOM 486 C PHE A 32 15.569 2.035 5.777 1.00 0.00 C ATOM 487 O PHE A 32 14.756 1.534 6.552 1.00 0.00 O ATOM 488 CB PHE A 32 17.519 3.197 6.803 1.00 0.00 C ATOM 489 CG PHE A 32 16.386 3.928 7.527 1.00 0.00 C ATOM 490 CD1 PHE A 32 15.808 3.370 8.624 1.00 0.00 C ATOM 491 CD2 PHE A 32 15.958 5.137 7.073 1.00 0.00 C ATOM 492 CE1 PHE A 32 14.757 4.049 9.296 1.00 0.00 C ATOM 493 CE2 PHE A 32 14.907 5.815 7.745 1.00 0.00 C ATOM 494 CZ PHE A 32 14.329 5.257 8.842 1.00 0.00 C ATOM 0 H PHE A 32 18.240 2.774 4.534 1.00 0.00 H new ATOM 0 HA PHE A 32 17.247 1.035 6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.284 2.923 7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.984 3.881 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.148 2.410 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 32 16.417 5.581 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.298 3.606 10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 32 14.566 6.774 7.385 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.530 5.773 9.353 1.00 0.00 H new ATOM 504 N ILE A 33 15.247 2.682 4.666 1.00 0.00 N ATOM 505 CA ILE A 33 13.858 2.850 4.274 1.00 0.00 C ATOM 506 C ILE A 33 13.366 1.571 3.594 1.00 0.00 C ATOM 507 O ILE A 33 12.365 0.989 4.008 1.00 0.00 O ATOM 508 CB ILE A 33 13.691 4.106 3.416 1.00 0.00 C ATOM 509 CG1 ILE A 33 13.661 5.364 4.286 1.00 0.00 C ATOM 510 CG2 ILE A 33 12.455 3.998 2.521 1.00 0.00 C ATOM 511 CD1 ILE A 33 13.940 6.615 3.450 1.00 0.00 C ATOM 0 H ILE A 33 15.924 3.096 4.025 1.00 0.00 H new ATOM 0 HA ILE A 33 13.231 3.006 5.152 1.00 0.00 H new ATOM 0 HB ILE A 33 14.557 4.189 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.688 5.454 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 33 14.403 5.280 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.359 4.903 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.557 3.136 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.566 3.878 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.913 7.495 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.924 6.532 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.182 6.710 2.673 1.00 0.00 H new ATOM 523 N SER A 34 14.093 1.171 2.561 1.00 0.00 N ATOM 524 CA SER A 34 13.744 -0.029 1.820 1.00 0.00 C ATOM 525 C SER A 34 13.371 -1.153 2.788 1.00 0.00 C ATOM 526 O SER A 34 12.448 -1.922 2.527 1.00 0.00 O ATOM 527 CB SER A 34 14.893 -0.470 0.911 1.00 0.00 C ATOM 528 OG SER A 34 16.085 -0.731 1.647 1.00 0.00 O ATOM 0 H SER A 34 14.922 1.657 2.220 1.00 0.00 H new ATOM 0 HA SER A 34 12.885 0.198 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.600 -1.367 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.087 0.305 0.170 1.00 0.00 H new ATOM 0 HG SER A 34 16.795 -1.011 1.032 1.00 0.00 H new ATOM 534 N ASN A 35 14.110 -1.213 3.887 1.00 0.00 N ATOM 535 CA ASN A 35 13.869 -2.231 4.896 1.00 0.00 C ATOM 536 C ASN A 35 12.403 -2.176 5.329 1.00 0.00 C ATOM 537 O ASN A 35 11.799 -3.208 5.619 1.00 0.00 O ATOM 538 CB ASN A 35 14.737 -1.996 6.133 1.00 0.00 C ATOM 539 CG ASN A 35 15.976 -2.893 6.113 1.00 0.00 C ATOM 540 OD1 ASN A 35 16.669 -3.016 5.116 1.00 0.00 O ATOM 541 ND2 ASN A 35 16.215 -3.512 7.266 1.00 0.00 N ATOM 0 H ASN A 35 14.875 -0.573 4.100 1.00 0.00 H new ATOM 0 HA ASN A 35 14.114 -3.201 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.042 -0.950 6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.155 -2.194 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.019 -4.134 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.595 -3.365 8.062 1.00 0.00 H new ATOM 548 N ARG A 36 11.873 -0.962 5.361 1.00 0.00 N ATOM 549 CA ARG A 36 10.490 -0.759 5.754 1.00 0.00 C ATOM 550 C ARG A 36 9.552 -1.110 4.597 1.00 0.00 C ATOM 551 O ARG A 36 8.504 -1.719 4.806 1.00 0.00 O ATOM 552 CB ARG A 36 10.244 0.690 6.179 1.00 0.00 C ATOM 553 CG ARG A 36 10.839 0.964 7.562 1.00 0.00 C ATOM 554 CD ARG A 36 10.157 0.107 8.631 1.00 0.00 C ATOM 555 NE ARG A 36 9.810 0.942 9.803 1.00 0.00 N ATOM 556 CZ ARG A 36 8.892 0.605 10.719 1.00 0.00 C ATOM 557 NH1 ARG A 36 8.225 -0.551 10.606 1.00 0.00 N ATOM 558 NH2 ARG A 36 8.642 1.424 11.750 1.00 0.00 N ATOM 0 H ARG A 36 12.378 -0.109 5.121 1.00 0.00 H new ATOM 0 HA ARG A 36 10.288 -1.413 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.686 1.367 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.173 0.892 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.909 0.754 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.724 2.019 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.257 -0.352 8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.818 -0.704 8.935 1.00 0.00 H new ATOM 0 HE ARG A 36 10.300 1.829 9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.416 -1.175 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.526 -0.807 11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.151 2.304 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.943 1.167 12.447 1.00 0.00 H new ATOM 572 N PHE A 37 9.963 -0.710 3.403 1.00 0.00 N ATOM 573 CA PHE A 37 9.172 -0.975 2.212 1.00 0.00 C ATOM 574 C PHE A 37 10.020 -1.646 1.130 1.00 0.00 C ATOM 575 O PHE A 37 10.860 -1.001 0.505 1.00 0.00 O ATOM 576 CB PHE A 37 8.680 0.378 1.693 1.00 0.00 C ATOM 577 CG PHE A 37 8.592 1.463 2.768 1.00 0.00 C ATOM 578 CD1 PHE A 37 9.727 2.032 3.254 1.00 0.00 C ATOM 579 CD2 PHE A 37 7.378 1.858 3.237 1.00 0.00 C ATOM 580 CE1 PHE A 37 9.645 3.039 4.251 1.00 0.00 C ATOM 581 CE2 PHE A 37 7.296 2.865 4.235 1.00 0.00 C ATOM 582 CZ PHE A 37 8.432 3.434 4.721 1.00 0.00 C ATOM 0 H PHE A 37 10.833 -0.205 3.234 1.00 0.00 H new ATOM 0 HA PHE A 37 8.345 -1.643 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.350 0.718 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.696 0.247 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.691 1.718 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.477 1.406 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.547 3.492 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.332 3.179 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.370 4.200 5.480 1.00 0.00 H new ATOM 592 N PRO A 38 9.763 -2.967 0.936 1.00 0.00 N ATOM 593 CA PRO A 38 10.493 -3.733 -0.060 1.00 0.00 C ATOM 594 C PRO A 38 10.009 -3.397 -1.473 1.00 0.00 C ATOM 595 O PRO A 38 10.815 -3.252 -2.391 1.00 0.00 O ATOM 596 CB PRO A 38 10.262 -5.188 0.315 1.00 0.00 C ATOM 597 CG PRO A 38 9.042 -5.196 1.222 1.00 0.00 C ATOM 598 CD PRO A 38 8.776 -3.765 1.657 1.00 0.00 C ATOM 0 HA PRO A 38 11.558 -3.502 -0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.093 -5.798 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.131 -5.602 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.178 -5.602 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.215 -5.833 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.760 -3.458 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.887 -3.652 2.735 1.00 0.00 H new ATOM 606 N TYR A 39 8.695 -3.282 -1.602 1.00 0.00 N ATOM 607 CA TYR A 39 8.095 -2.966 -2.887 1.00 0.00 C ATOM 608 C TYR A 39 8.746 -1.727 -3.506 1.00 0.00 C ATOM 609 O TYR A 39 8.992 -1.688 -4.711 1.00 0.00 O ATOM 610 CB TYR A 39 6.623 -2.664 -2.601 1.00 0.00 C ATOM 611 CG TYR A 39 5.991 -1.669 -3.577 1.00 0.00 C ATOM 612 CD1 TYR A 39 5.400 -2.124 -4.739 1.00 0.00 C ATOM 613 CD2 TYR A 39 6.011 -0.318 -3.296 1.00 0.00 C ATOM 614 CE1 TYR A 39 4.805 -1.188 -5.658 1.00 0.00 C ATOM 615 CE2 TYR A 39 5.416 0.617 -4.215 1.00 0.00 C ATOM 616 CZ TYR A 39 4.842 0.136 -5.350 1.00 0.00 C ATOM 617 OH TYR A 39 4.281 1.020 -6.218 1.00 0.00 O ATOM 0 H TYR A 39 8.030 -3.402 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 39 8.225 -3.793 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.059 -3.596 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.533 -2.271 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.384 -3.181 -4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.473 0.038 -2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.340 -1.530 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.425 1.677 -4.008 1.00 0.00 H new ATOM 0 HH TYR A 39 4.381 1.930 -5.868 1.00 0.00 H new ATOM 627 N TYR A 40 9.008 -0.747 -2.654 1.00 0.00 N ATOM 628 CA TYR A 40 9.626 0.489 -3.103 1.00 0.00 C ATOM 629 C TYR A 40 11.010 0.225 -3.700 1.00 0.00 C ATOM 630 O TYR A 40 11.377 0.819 -4.712 1.00 0.00 O ATOM 631 CB TYR A 40 9.780 1.361 -1.855 1.00 0.00 C ATOM 632 CG TYR A 40 8.864 2.586 -1.835 1.00 0.00 C ATOM 633 CD1 TYR A 40 9.129 3.659 -2.662 1.00 0.00 C ATOM 634 CD2 TYR A 40 7.773 2.619 -0.990 1.00 0.00 C ATOM 635 CE1 TYR A 40 8.267 4.813 -2.643 1.00 0.00 C ATOM 636 CE2 TYR A 40 6.911 3.772 -0.972 1.00 0.00 C ATOM 637 CZ TYR A 40 7.201 4.812 -1.799 1.00 0.00 C ATOM 638 OH TYR A 40 6.387 5.902 -1.781 1.00 0.00 O ATOM 0 H TYR A 40 8.804 -0.784 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 40 9.018 0.964 -3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.577 0.754 -0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.816 1.693 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.983 3.633 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.566 1.780 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.463 5.660 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.053 3.810 -0.317 1.00 0.00 H new ATOM 0 HH TYR A 40 5.666 5.762 -1.132 1.00 0.00 H new ATOM 648 N ARG A 41 11.740 -0.667 -3.047 1.00 0.00 N ATOM 649 CA ARG A 41 13.076 -1.017 -3.500 1.00 0.00 C ATOM 650 C ARG A 41 12.998 -1.976 -4.690 1.00 0.00 C ATOM 651 O ARG A 41 13.980 -2.163 -5.406 1.00 0.00 O ATOM 652 CB ARG A 41 13.884 -1.671 -2.379 1.00 0.00 C ATOM 653 CG ARG A 41 15.336 -1.893 -2.807 1.00 0.00 C ATOM 654 CD ARG A 41 15.798 -3.312 -2.468 1.00 0.00 C ATOM 655 NE ARG A 41 17.101 -3.266 -1.767 1.00 0.00 N ATOM 656 CZ ARG A 41 18.280 -3.497 -2.360 1.00 0.00 C ATOM 657 NH1 ARG A 41 18.328 -3.791 -3.666 1.00 0.00 N ATOM 658 NH2 ARG A 41 19.412 -3.434 -1.645 1.00 0.00 N ATOM 0 H ARG A 41 11.432 -1.158 -2.208 1.00 0.00 H new ATOM 0 HA ARG A 41 13.576 -0.097 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.856 -1.041 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.431 -2.625 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.433 -1.722 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.980 -1.168 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.055 -3.805 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.887 -3.902 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 41 17.101 -3.045 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.466 -3.839 -4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.226 -3.967 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.375 -3.210 -0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.310 -3.610 -2.095 1.00 0.00 H new ATOM 672 N GLU A 42 11.820 -2.557 -4.864 1.00 0.00 N ATOM 673 CA GLU A 42 11.601 -3.492 -5.955 1.00 0.00 C ATOM 674 C GLU A 42 11.420 -2.737 -7.273 1.00 0.00 C ATOM 675 O GLU A 42 12.006 -3.106 -8.290 1.00 0.00 O ATOM 676 CB GLU A 42 10.399 -4.395 -5.671 1.00 0.00 C ATOM 677 CG GLU A 42 10.804 -5.870 -5.693 1.00 0.00 C ATOM 678 CD GLU A 42 10.481 -6.548 -4.360 1.00 0.00 C ATOM 679 OE1 GLU A 42 11.183 -6.228 -3.376 1.00 0.00 O ATOM 680 OE2 GLU A 42 9.539 -7.370 -4.354 1.00 0.00 O ATOM 0 H GLU A 42 11.007 -2.399 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 42 12.480 -4.130 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.974 -4.145 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.622 -4.216 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.282 -6.382 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.871 -5.955 -5.899 1.00 0.00 H new ATOM 687 N LYS A 43 10.606 -1.693 -7.213 1.00 0.00 N ATOM 688 CA LYS A 43 10.341 -0.883 -8.390 1.00 0.00 C ATOM 689 C LYS A 43 11.313 0.298 -8.421 1.00 0.00 C ATOM 690 O LYS A 43 11.884 0.609 -9.465 1.00 0.00 O ATOM 691 CB LYS A 43 8.868 -0.468 -8.434 1.00 0.00 C ATOM 692 CG LYS A 43 8.209 -0.924 -9.737 1.00 0.00 C ATOM 693 CD LYS A 43 7.842 -2.408 -9.677 1.00 0.00 C ATOM 694 CE LYS A 43 6.378 -2.627 -10.062 1.00 0.00 C ATOM 695 NZ LYS A 43 5.592 -3.063 -8.887 1.00 0.00 N ATOM 0 H LYS A 43 10.122 -1.390 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 43 10.513 -1.462 -9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.339 -0.900 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.789 0.615 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.313 -0.332 -9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.886 -0.747 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.487 -2.973 -10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.018 -2.789 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.960 -1.704 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.312 -3.377 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.601 -3.207 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.981 -3.955 -8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.641 -2.334 -8.147 1.00 0.00 H new ATOM 709 N PHE A 44 11.472 0.922 -7.263 1.00 0.00 N ATOM 710 CA PHE A 44 12.366 2.062 -7.145 1.00 0.00 C ATOM 711 C PHE A 44 12.043 3.124 -8.198 1.00 0.00 C ATOM 712 O PHE A 44 12.783 3.287 -9.167 1.00 0.00 O ATOM 713 CB PHE A 44 13.786 1.543 -7.379 1.00 0.00 C ATOM 714 CG PHE A 44 14.883 2.481 -6.872 1.00 0.00 C ATOM 715 CD1 PHE A 44 15.263 3.551 -7.622 1.00 0.00 C ATOM 716 CD2 PHE A 44 15.478 2.246 -5.672 1.00 0.00 C ATOM 717 CE1 PHE A 44 16.281 4.422 -7.151 1.00 0.00 C ATOM 718 CE2 PHE A 44 16.496 3.117 -5.202 1.00 0.00 C ATOM 719 CZ PHE A 44 16.876 4.187 -5.951 1.00 0.00 C ATOM 0 H PHE A 44 10.997 0.660 -6.399 1.00 0.00 H new ATOM 0 HA PHE A 44 12.257 2.520 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.894 0.576 -6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.930 1.376 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 44 14.791 3.738 -8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.176 1.397 -5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.583 5.271 -7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 44 16.969 2.930 -4.249 1.00 0.00 H new ATOM 0 HZ PHE A 44 17.650 4.850 -5.593 1.00 0.00 H new ATOM 729 N PRO A 45 10.909 3.837 -7.966 1.00 0.00 N ATOM 730 CA PRO A 45 10.479 4.879 -8.884 1.00 0.00 C ATOM 731 C PRO A 45 11.340 6.134 -8.730 1.00 0.00 C ATOM 732 O PRO A 45 10.848 7.251 -8.877 1.00 0.00 O ATOM 733 CB PRO A 45 9.016 5.118 -8.549 1.00 0.00 C ATOM 734 CG PRO A 45 8.806 4.541 -7.159 1.00 0.00 C ATOM 735 CD PRO A 45 10.008 3.671 -6.829 1.00 0.00 C ATOM 0 HA PRO A 45 10.593 4.593 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.780 6.182 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.365 4.632 -9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.701 5.341 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.888 3.954 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.482 3.986 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.719 2.628 -6.702 1.00 0.00 H new ATOM 743 N ALA A 46 12.613 5.907 -8.437 1.00 0.00 N ATOM 744 CA ALA A 46 13.547 7.006 -8.262 1.00 0.00 C ATOM 745 C ALA A 46 13.148 7.819 -7.029 1.00 0.00 C ATOM 746 O ALA A 46 12.907 9.021 -7.125 1.00 0.00 O ATOM 747 CB ALA A 46 13.581 7.855 -9.535 1.00 0.00 C ATOM 0 H ALA A 46 13.019 4.979 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 46 14.556 6.629 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.282 8.680 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.900 7.238 -10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.586 8.253 -9.734 1.00 0.00 H new ATOM 753 N TRP A 47 13.090 7.129 -5.899 1.00 0.00 N ATOM 754 CA TRP A 47 12.724 7.772 -4.648 1.00 0.00 C ATOM 755 C TRP A 47 14.006 8.274 -3.982 1.00 0.00 C ATOM 756 O TRP A 47 13.953 8.947 -2.954 1.00 0.00 O ATOM 757 CB TRP A 47 11.920 6.822 -3.758 1.00 0.00 C ATOM 758 CG TRP A 47 12.573 5.453 -3.560 1.00 0.00 C ATOM 759 CD1 TRP A 47 12.710 4.466 -4.457 1.00 0.00 C ATOM 760 CD2 TRP A 47 13.177 4.956 -2.347 1.00 0.00 C ATOM 761 NE1 TRP A 47 13.355 3.374 -3.913 1.00 0.00 N ATOM 762 CE2 TRP A 47 13.648 3.681 -2.590 1.00 0.00 C ATOM 763 CE3 TRP A 47 13.321 5.563 -1.087 1.00 0.00 C ATOM 764 CZ2 TRP A 47 14.294 2.906 -1.619 1.00 0.00 C ATOM 765 CZ3 TRP A 47 13.968 4.774 -0.129 1.00 0.00 C ATOM 766 CH2 TRP A 47 14.448 3.490 -0.357 1.00 0.00 C ATOM 0 H TRP A 47 13.290 6.132 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 47 12.069 8.624 -4.829 1.00 0.00 H new ATOM 0 HB2 TRP A 47 11.775 7.289 -2.784 1.00 0.00 H new ATOM 0 HB3 TRP A 47 10.931 6.682 -4.194 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.360 4.519 -5.477 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.576 2.502 -4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 47 12.961 6.559 -0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 14.654 1.911 -1.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 14.104 5.193 0.857 1.00 0.00 H new ATOM 0 HH2 TRP A 47 14.938 2.945 0.437 1.00 0.00 H new ATOM 777 N GLN A 48 15.128 7.928 -4.595 1.00 0.00 N ATOM 778 CA GLN A 48 16.422 8.335 -4.074 1.00 0.00 C ATOM 779 C GLN A 48 16.476 9.856 -3.915 1.00 0.00 C ATOM 780 O GLN A 48 17.060 10.364 -2.960 1.00 0.00 O ATOM 781 CB GLN A 48 17.556 7.837 -4.971 1.00 0.00 C ATOM 782 CG GLN A 48 17.344 8.281 -6.420 1.00 0.00 C ATOM 783 CD GLN A 48 18.421 9.279 -6.851 1.00 0.00 C ATOM 784 OE1 GLN A 48 18.848 9.316 -7.993 1.00 0.00 O ATOM 785 NE2 GLN A 48 18.833 10.084 -5.876 1.00 0.00 N ATOM 0 H GLN A 48 15.168 7.370 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 48 16.555 7.882 -3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 48 18.509 8.220 -4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 48 17.611 6.749 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 48 17.365 7.412 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.359 8.736 -6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.433 9.999 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.549 10.786 -6.063 1.00 0.00 H new ATOM 794 N ASN A 49 15.858 10.540 -4.867 1.00 0.00 N ATOM 795 CA ASN A 49 15.827 11.993 -4.845 1.00 0.00 C ATOM 796 C ASN A 49 14.768 12.462 -3.846 1.00 0.00 C ATOM 797 O ASN A 49 14.914 13.517 -3.230 1.00 0.00 O ATOM 798 CB ASN A 49 15.463 12.557 -6.220 1.00 0.00 C ATOM 799 CG ASN A 49 16.260 11.863 -7.326 1.00 0.00 C ATOM 800 OD1 ASN A 49 17.459 11.660 -7.229 1.00 0.00 O ATOM 801 ND2 ASN A 49 15.530 11.513 -8.381 1.00 0.00 N ATOM 0 H ASN A 49 15.375 10.115 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 49 16.818 12.347 -4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.396 12.427 -6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.661 13.629 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.970 11.045 -9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.530 11.713 -8.398 1.00 0.00 H new ATOM 808 N SER A 50 13.725 11.655 -3.715 1.00 0.00 N ATOM 809 CA SER A 50 12.642 11.974 -2.801 1.00 0.00 C ATOM 810 C SER A 50 13.169 12.035 -1.366 1.00 0.00 C ATOM 811 O SER A 50 12.984 13.036 -0.675 1.00 0.00 O ATOM 812 CB SER A 50 11.511 10.949 -2.907 1.00 0.00 C ATOM 813 OG SER A 50 11.130 10.713 -4.260 1.00 0.00 O ATOM 0 H SER A 50 13.607 10.781 -4.227 1.00 0.00 H new ATOM 0 HA SER A 50 12.239 12.949 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.828 10.011 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.647 11.302 -2.343 1.00 0.00 H new ATOM 0 HG SER A 50 10.232 10.321 -4.283 1.00 0.00 H new ATOM 819 N ILE A 51 13.817 10.953 -0.960 1.00 0.00 N ATOM 820 CA ILE A 51 14.372 10.871 0.380 1.00 0.00 C ATOM 821 C ILE A 51 15.487 11.907 0.529 1.00 0.00 C ATOM 822 O ILE A 51 15.433 12.759 1.414 1.00 0.00 O ATOM 823 CB ILE A 51 14.817 9.440 0.689 1.00 0.00 C ATOM 824 CG1 ILE A 51 15.904 8.981 -0.285 1.00 0.00 C ATOM 825 CG2 ILE A 51 13.621 8.485 0.704 1.00 0.00 C ATOM 826 CD1 ILE A 51 16.002 7.455 -0.319 1.00 0.00 C ATOM 0 H ILE A 51 13.970 10.125 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 51 13.611 11.111 1.123 1.00 0.00 H new ATOM 0 HB ILE A 51 15.253 9.426 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 51 15.684 9.357 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.864 9.404 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.965 7.475 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.911 8.803 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.134 8.496 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.782 7.156 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.246 7.084 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 51 15.048 7.036 -0.639 1.00 0.00 H new ATOM 838 N ARG A 52 16.473 11.800 -0.350 1.00 0.00 N ATOM 839 CA ARG A 52 17.599 12.718 -0.327 1.00 0.00 C ATOM 840 C ARG A 52 17.104 14.165 -0.281 1.00 0.00 C ATOM 841 O ARG A 52 17.688 15.003 0.403 1.00 0.00 O ATOM 842 CB ARG A 52 18.488 12.529 -1.558 1.00 0.00 C ATOM 843 CG ARG A 52 19.195 11.172 -1.521 1.00 0.00 C ATOM 844 CD ARG A 52 19.925 10.899 -2.837 1.00 0.00 C ATOM 845 NE ARG A 52 19.950 9.444 -3.109 1.00 0.00 N ATOM 846 CZ ARG A 52 20.893 8.833 -3.839 1.00 0.00 C ATOM 847 NH1 ARG A 52 21.893 9.546 -4.375 1.00 0.00 N ATOM 848 NH2 ARG A 52 20.835 7.508 -4.034 1.00 0.00 N ATOM 0 H ARG A 52 16.515 11.091 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 52 18.184 12.503 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.884 12.604 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 52 19.228 13.328 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.906 11.151 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.466 10.383 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.427 11.422 -3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 52 20.943 11.285 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 52 19.203 8.871 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.937 10.554 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.611 9.080 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.073 6.965 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 52 21.553 7.042 -4.590 1.00 0.00 H new ATOM 862 N HIS A 53 16.032 14.414 -1.019 1.00 0.00 N ATOM 863 CA HIS A 53 15.452 15.745 -1.071 1.00 0.00 C ATOM 864 C HIS A 53 14.851 16.097 0.291 1.00 0.00 C ATOM 865 O HIS A 53 15.215 17.106 0.893 1.00 0.00 O ATOM 866 CB HIS A 53 14.438 15.851 -2.212 1.00 0.00 C ATOM 867 CG HIS A 53 13.648 17.138 -2.213 1.00 0.00 C ATOM 868 ND1 HIS A 53 12.584 17.365 -1.358 1.00 0.00 N ATOM 869 CD2 HIS A 53 13.778 18.263 -2.973 1.00 0.00 C ATOM 870 CE1 HIS A 53 12.102 18.575 -1.601 1.00 0.00 C ATOM 871 NE2 HIS A 53 12.843 19.130 -2.603 1.00 0.00 N ATOM 0 H HIS A 53 15.550 13.716 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 53 16.231 16.477 -1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.964 15.759 -3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.746 15.012 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.516 18.422 -3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.269 19.040 -1.095 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.702 20.058 -3.002 1.00 0.00 H new ATOM 879 N ASN A 54 13.940 15.244 0.738 1.00 0.00 N ATOM 880 CA ASN A 54 13.285 15.452 2.018 1.00 0.00 C ATOM 881 C ASN A 54 14.326 15.377 3.137 1.00 0.00 C ATOM 882 O ASN A 54 14.035 15.715 4.283 1.00 0.00 O ATOM 883 CB ASN A 54 12.231 14.374 2.279 1.00 0.00 C ATOM 884 CG ASN A 54 11.118 14.430 1.231 1.00 0.00 C ATOM 885 OD1 ASN A 54 10.874 13.487 0.496 1.00 0.00 O ATOM 886 ND2 ASN A 54 10.459 15.585 1.203 1.00 0.00 N ATOM 0 H ASN A 54 13.641 14.408 0.236 1.00 0.00 H new ATOM 0 HA ASN A 54 12.803 16.429 1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.700 13.390 2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.806 14.509 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.698 15.722 0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.715 16.334 1.847 1.00 0.00 H new ATOM 893 N LEU A 55 15.517 14.932 2.764 1.00 0.00 N ATOM 894 CA LEU A 55 16.602 14.808 3.722 1.00 0.00 C ATOM 895 C LEU A 55 17.276 16.170 3.902 1.00 0.00 C ATOM 896 O LEU A 55 17.351 16.687 5.015 1.00 0.00 O ATOM 897 CB LEU A 55 17.565 13.696 3.300 1.00 0.00 C ATOM 898 CG LEU A 55 17.775 12.570 4.315 1.00 0.00 C ATOM 899 CD1 LEU A 55 18.566 11.416 3.696 1.00 0.00 C ATOM 900 CD2 LEU A 55 18.434 13.098 5.591 1.00 0.00 C ATOM 0 H LEU A 55 15.754 14.653 1.812 1.00 0.00 H new ATOM 0 HA LEU A 55 16.217 14.511 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 17.198 13.258 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 55 18.533 14.145 3.080 1.00 0.00 H new ATOM 0 HG LEU A 55 16.798 12.177 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.702 10.629 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 55 18.020 11.018 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 55 19.541 11.778 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 18.572 12.278 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.403 13.533 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.797 13.860 6.041 1.00 0.00 H new ATOM 912 N SER A 56 17.749 16.712 2.789 1.00 0.00 N ATOM 913 CA SER A 56 18.414 18.003 2.809 1.00 0.00 C ATOM 914 C SER A 56 17.376 19.125 2.886 1.00 0.00 C ATOM 915 O SER A 56 17.472 20.007 3.739 1.00 0.00 O ATOM 916 CB SER A 56 19.302 18.185 1.577 1.00 0.00 C ATOM 917 OG SER A 56 19.204 19.501 1.038 1.00 0.00 O ATOM 0 H SER A 56 17.685 16.280 1.867 1.00 0.00 H new ATOM 0 HA SER A 56 19.052 18.045 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.339 17.979 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.018 17.459 0.815 1.00 0.00 H new ATOM 0 HG SER A 56 19.199 19.454 0.059 1.00 0.00 H new ATOM 923 N LEU A 57 16.409 19.056 1.984 1.00 0.00 N ATOM 924 CA LEU A 57 15.354 20.054 1.939 1.00 0.00 C ATOM 925 C LEU A 57 14.388 19.823 3.103 1.00 0.00 C ATOM 926 O LEU A 57 13.299 19.283 2.913 1.00 0.00 O ATOM 927 CB LEU A 57 14.675 20.055 0.568 1.00 0.00 C ATOM 928 CG LEU A 57 15.297 20.973 -0.487 1.00 0.00 C ATOM 929 CD1 LEU A 57 15.273 22.432 -0.027 1.00 0.00 C ATOM 930 CD2 LEU A 57 16.709 20.511 -0.853 1.00 0.00 C ATOM 0 H LEU A 57 16.334 18.324 1.278 1.00 0.00 H new ATOM 0 HA LEU A 57 15.771 21.053 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.679 19.036 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.632 20.342 0.701 1.00 0.00 H new ATOM 0 HG LEU A 57 14.693 20.910 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.721 23.063 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.242 22.743 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.839 22.531 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 57 17.128 21.181 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.339 20.525 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.668 19.498 -1.253 1.00 0.00 H new ATOM 942 N ASN A 58 14.822 20.242 4.283 1.00 0.00 N ATOM 943 CA ASN A 58 14.010 20.087 5.477 1.00 0.00 C ATOM 944 C ASN A 58 14.902 20.204 6.714 1.00 0.00 C ATOM 945 O ASN A 58 14.621 20.994 7.615 1.00 0.00 O ATOM 946 CB ASN A 58 13.334 18.715 5.510 1.00 0.00 C ATOM 947 CG ASN A 58 11.815 18.849 5.386 1.00 0.00 C ATOM 948 OD1 ASN A 58 11.050 18.167 6.048 1.00 0.00 O ATOM 949 ND2 ASN A 58 11.422 19.763 4.504 1.00 0.00 N ATOM 0 H ASN A 58 15.726 20.689 4.437 1.00 0.00 H new ATOM 0 HA ASN A 58 13.246 20.865 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.716 18.098 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.583 18.205 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.427 19.927 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.115 20.300 3.983 1.00 0.00 H new ATOM 956 N ASP A 59 15.960 19.406 6.719 1.00 0.00 N ATOM 957 CA ASP A 59 16.895 19.410 7.831 1.00 0.00 C ATOM 958 C ASP A 59 17.850 20.597 7.685 1.00 0.00 C ATOM 959 O ASP A 59 17.856 21.500 8.521 1.00 0.00 O ATOM 960 CB ASP A 59 17.733 18.130 7.851 1.00 0.00 C ATOM 961 CG ASP A 59 16.929 16.830 7.779 1.00 0.00 C ATOM 962 OD1 ASP A 59 15.909 16.833 7.056 1.00 0.00 O ATOM 963 OD2 ASP A 59 17.352 15.863 8.448 1.00 0.00 O ATOM 0 H ASP A 59 16.190 18.752 5.971 1.00 0.00 H new ATOM 0 HA ASP A 59 16.320 19.479 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.429 18.156 7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.332 18.120 8.762 1.00 0.00 H new ATOM 968 N CYS A 60 18.633 20.557 6.617 1.00 0.00 N ATOM 969 CA CYS A 60 19.589 21.618 6.351 1.00 0.00 C ATOM 970 C CYS A 60 20.922 21.238 7.000 1.00 0.00 C ATOM 971 O CYS A 60 21.376 21.904 7.929 1.00 0.00 O ATOM 972 CB CYS A 60 19.081 22.975 6.844 1.00 0.00 C ATOM 973 SG CYS A 60 19.651 24.302 5.720 1.00 0.00 S ATOM 0 H CYS A 60 18.625 19.807 5.926 1.00 0.00 H new ATOM 0 HA CYS A 60 19.727 21.725 5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 60 17.992 22.970 6.891 1.00 0.00 H new ATOM 0 HB3 CYS A 60 19.443 23.163 7.855 1.00 0.00 H new ATOM 0 HG CYS A 60 19.213 25.449 6.146 1.00 0.00 H new ATOM 979 N PHE A 61 21.511 20.169 6.484 1.00 0.00 N ATOM 980 CA PHE A 61 22.782 19.692 7.002 1.00 0.00 C ATOM 981 C PHE A 61 23.817 19.566 5.882 1.00 0.00 C ATOM 982 O PHE A 61 23.689 20.204 4.838 1.00 0.00 O ATOM 983 CB PHE A 61 22.529 18.308 7.604 1.00 0.00 C ATOM 984 CG PHE A 61 21.707 17.380 6.708 1.00 0.00 C ATOM 985 CD1 PHE A 61 22.219 16.947 5.525 1.00 0.00 C ATOM 986 CD2 PHE A 61 20.463 16.989 7.094 1.00 0.00 C ATOM 987 CE1 PHE A 61 21.456 16.086 4.693 1.00 0.00 C ATOM 988 CE2 PHE A 61 19.700 16.127 6.262 1.00 0.00 C ATOM 989 CZ PHE A 61 20.212 15.694 5.079 1.00 0.00 C ATOM 0 H PHE A 61 21.132 19.620 5.713 1.00 0.00 H new ATOM 0 HA PHE A 61 23.169 20.393 7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 61 23.488 17.835 7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.013 18.426 8.557 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.207 17.258 5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 61 20.055 17.334 8.033 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.863 15.742 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 61 18.713 15.815 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 61 19.631 15.039 4.446 1.00 0.00 H new ATOM 999 N VAL A 62 24.821 18.740 6.138 1.00 0.00 N ATOM 1000 CA VAL A 62 25.878 18.523 5.164 1.00 0.00 C ATOM 1001 C VAL A 62 25.862 17.059 4.719 1.00 0.00 C ATOM 1002 O VAL A 62 25.280 16.208 5.390 1.00 0.00 O ATOM 1003 CB VAL A 62 27.224 18.955 5.749 1.00 0.00 C ATOM 1004 CG1 VAL A 62 27.250 20.463 6.008 1.00 0.00 C ATOM 1005 CG2 VAL A 62 27.544 18.174 7.024 1.00 0.00 C ATOM 0 H VAL A 62 24.925 18.213 7.005 1.00 0.00 H new ATOM 0 HA VAL A 62 25.712 19.134 4.277 1.00 0.00 H new ATOM 0 HB VAL A 62 27.997 18.728 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 62 28.218 20.744 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 62 27.089 20.996 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 62 26.462 20.725 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 62 28.506 18.501 7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 62 26.767 18.355 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 62 27.588 17.109 6.797 1.00 0.00 H new ATOM 1015 N LYS A 63 26.508 16.810 3.589 1.00 0.00 N ATOM 1016 CA LYS A 63 26.575 15.464 3.046 1.00 0.00 C ATOM 1017 C LYS A 63 27.899 15.286 2.300 1.00 0.00 C ATOM 1018 O LYS A 63 28.599 16.260 2.029 1.00 0.00 O ATOM 1019 CB LYS A 63 25.342 15.170 2.190 1.00 0.00 C ATOM 1020 CG LYS A 63 25.374 15.972 0.887 1.00 0.00 C ATOM 1021 CD LYS A 63 24.032 16.660 0.634 1.00 0.00 C ATOM 1022 CE LYS A 63 23.031 15.693 -0.003 1.00 0.00 C ATOM 1023 NZ LYS A 63 21.675 15.912 0.548 1.00 0.00 N ATOM 0 H LYS A 63 26.990 17.518 3.035 1.00 0.00 H new ATOM 0 HA LYS A 63 26.559 14.727 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.297 14.105 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 63 24.439 15.415 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.166 16.719 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.610 15.310 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.630 17.038 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.178 17.520 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.018 15.834 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.343 14.665 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.272 15.002 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.731 16.555 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.067 16.333 -0.183 1.00 0.00 H new ATOM 1037 N ILE A 64 28.202 14.034 1.988 1.00 0.00 N ATOM 1038 CA ILE A 64 29.429 13.716 1.278 1.00 0.00 C ATOM 1039 C ILE A 64 29.083 13.123 -0.089 1.00 0.00 C ATOM 1040 O ILE A 64 28.382 12.115 -0.174 1.00 0.00 O ATOM 1041 CB ILE A 64 30.322 12.813 2.132 1.00 0.00 C ATOM 1042 CG1 ILE A 64 31.772 13.301 2.113 1.00 0.00 C ATOM 1043 CG2 ILE A 64 30.204 11.352 1.694 1.00 0.00 C ATOM 1044 CD1 ILE A 64 32.624 12.530 3.123 1.00 0.00 C ATOM 0 H ILE A 64 27.619 13.228 2.214 1.00 0.00 H new ATOM 0 HA ILE A 64 30.010 14.620 1.096 1.00 0.00 H new ATOM 0 HB ILE A 64 29.976 12.868 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 64 32.188 13.178 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 64 31.804 14.366 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 64 30.849 10.732 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.170 11.022 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 64 30.509 11.259 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 64 33.650 12.897 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 64 32.220 12.675 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.610 11.469 2.876 1.00 0.00 H new ATOM 1056 N PRO A 65 29.603 13.791 -1.153 1.00 0.00 N ATOM 1057 CA PRO A 65 29.357 13.341 -2.513 1.00 0.00 C ATOM 1058 C PRO A 65 30.191 12.100 -2.839 1.00 0.00 C ATOM 1059 O PRO A 65 30.906 11.585 -1.981 1.00 0.00 O ATOM 1060 CB PRO A 65 29.698 14.534 -3.390 1.00 0.00 C ATOM 1061 CG PRO A 65 30.561 15.447 -2.534 1.00 0.00 C ATOM 1062 CD PRO A 65 30.437 14.988 -1.091 1.00 0.00 C ATOM 0 HA PRO A 65 28.325 13.029 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 65 30.232 14.220 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 65 28.795 15.047 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 65 31.600 15.405 -2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 65 30.237 16.483 -2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 65 31.414 14.768 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 65 29.980 15.757 -0.469 1.00 0.00 H new ATOM 1070 N ARG A 66 30.071 11.656 -4.082 1.00 0.00 N ATOM 1071 CA ARG A 66 30.805 10.486 -4.532 1.00 0.00 C ATOM 1072 C ARG A 66 32.250 10.541 -4.033 1.00 0.00 C ATOM 1073 O ARG A 66 33.087 11.225 -4.619 1.00 0.00 O ATOM 1074 CB ARG A 66 30.803 10.389 -6.059 1.00 0.00 C ATOM 1075 CG ARG A 66 31.854 9.390 -6.546 1.00 0.00 C ATOM 1076 CD ARG A 66 31.551 7.981 -6.033 1.00 0.00 C ATOM 1077 NE ARG A 66 31.802 6.988 -7.102 1.00 0.00 N ATOM 1078 CZ ARG A 66 33.021 6.557 -7.456 1.00 0.00 C ATOM 1079 NH1 ARG A 66 34.106 7.029 -6.828 1.00 0.00 N ATOM 1080 NH2 ARG A 66 33.153 5.654 -8.437 1.00 0.00 N ATOM 0 H ARG A 66 29.477 12.086 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 66 30.309 9.606 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 66 29.816 10.082 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 66 31.002 11.370 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 66 31.880 9.386 -7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 66 32.842 9.700 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 32.173 7.759 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 66 30.513 7.920 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 66 30.997 6.608 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 66 34.004 7.716 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 66 35.034 6.701 -7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 66 32.326 5.295 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 66 34.080 5.326 -8.707 1.00 0.00 H new ATOM 1094 N GLU A 67 32.498 9.811 -2.955 1.00 0.00 N ATOM 1095 CA GLU A 67 33.827 9.768 -2.371 1.00 0.00 C ATOM 1096 C GLU A 67 34.692 8.734 -3.094 1.00 0.00 C ATOM 1097 O GLU A 67 34.173 7.864 -3.792 1.00 0.00 O ATOM 1098 CB GLU A 67 33.758 9.472 -0.871 1.00 0.00 C ATOM 1099 CG GLU A 67 33.698 10.767 -0.059 1.00 0.00 C ATOM 1100 CD GLU A 67 34.940 10.921 0.820 1.00 0.00 C ATOM 1101 OE1 GLU A 67 35.377 9.888 1.372 1.00 0.00 O ATOM 1102 OE2 GLU A 67 35.425 12.069 0.921 1.00 0.00 O ATOM 0 H GLU A 67 31.801 9.245 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 67 34.288 10.748 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 67 32.880 8.863 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 34.630 8.890 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 67 33.617 11.620 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 67 32.804 10.768 0.565 1.00 0.00 H new ATOM 1109 N PRO A 68 36.032 8.866 -2.898 1.00 0.00 N ATOM 1110 CA PRO A 68 36.973 7.953 -3.523 1.00 0.00 C ATOM 1111 C PRO A 68 36.969 6.594 -2.820 1.00 0.00 C ATOM 1112 O PRO A 68 37.909 6.261 -2.099 1.00 0.00 O ATOM 1113 CB PRO A 68 38.317 8.659 -3.443 1.00 0.00 C ATOM 1114 CG PRO A 68 38.165 9.725 -2.370 1.00 0.00 C ATOM 1115 CD PRO A 68 36.682 9.884 -2.078 1.00 0.00 C ATOM 0 HA PRO A 68 36.716 7.728 -4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 68 39.112 7.958 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.582 9.105 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 68 38.703 9.437 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 68 38.591 10.670 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 68 36.469 9.736 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 68 36.332 10.884 -2.337 1.00 0.00 H new ATOM 1123 N GLY A 69 35.901 5.846 -3.054 1.00 0.00 N ATOM 1124 CA GLY A 69 35.762 4.531 -2.452 1.00 0.00 C ATOM 1125 C GLY A 69 34.291 4.196 -2.200 1.00 0.00 C ATOM 1126 O GLY A 69 33.912 3.852 -1.081 1.00 0.00 O ATOM 0 H GLY A 69 35.124 6.126 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 69 36.203 3.779 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 69 36.312 4.498 -1.512 1.00 0.00 H new ATOM 1130 N ASN A 70 33.502 4.308 -3.258 1.00 0.00 N ATOM 1131 CA ASN A 70 32.080 4.021 -3.165 1.00 0.00 C ATOM 1132 C ASN A 70 31.750 2.809 -4.039 1.00 0.00 C ATOM 1133 O ASN A 70 31.423 2.959 -5.215 1.00 0.00 O ATOM 1134 CB ASN A 70 31.246 5.204 -3.662 1.00 0.00 C ATOM 1135 CG ASN A 70 31.362 6.395 -2.709 1.00 0.00 C ATOM 1136 OD1 ASN A 70 32.421 6.708 -2.190 1.00 0.00 O ATOM 1137 ND2 ASN A 70 30.216 7.040 -2.508 1.00 0.00 N ATOM 0 H ASN A 70 33.820 4.593 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 70 31.843 3.827 -2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 70 31.580 5.496 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 70 30.202 4.905 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 70 30.188 7.849 -1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 70 29.365 6.725 -2.974 1.00 0.00 H new ATOM 1144 N PRO A 71 31.851 1.606 -3.414 1.00 0.00 N ATOM 1145 CA PRO A 71 31.567 0.369 -4.122 1.00 0.00 C ATOM 1146 C PRO A 71 30.061 0.182 -4.316 1.00 0.00 C ATOM 1147 O PRO A 71 29.502 -0.838 -3.914 1.00 0.00 O ATOM 1148 CB PRO A 71 32.197 -0.724 -3.273 1.00 0.00 C ATOM 1149 CG PRO A 71 32.404 -0.115 -1.896 1.00 0.00 C ATOM 1150 CD PRO A 71 32.236 1.391 -2.022 1.00 0.00 C ATOM 0 HA PRO A 71 31.979 0.358 -5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.549 -1.599 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 71 33.144 -1.054 -3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 71 31.683 -0.521 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 71 33.396 -0.358 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 71 31.473 1.763 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.162 1.914 -1.782 1.00 0.00 H new ATOM 1158 N GLY A 72 29.447 1.181 -4.932 1.00 0.00 N ATOM 1159 CA GLY A 72 28.017 1.139 -5.184 1.00 0.00 C ATOM 1160 C GLY A 72 27.264 2.067 -4.228 1.00 0.00 C ATOM 1161 O GLY A 72 26.525 2.948 -4.666 1.00 0.00 O ATOM 0 H GLY A 72 29.914 2.025 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 72 27.817 1.433 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 72 27.653 0.118 -5.067 1.00 0.00 H new ATOM 1165 N LYS A 73 27.478 1.838 -2.941 1.00 0.00 N ATOM 1166 CA LYS A 73 26.829 2.642 -1.920 1.00 0.00 C ATOM 1167 C LYS A 73 27.802 2.871 -0.762 1.00 0.00 C ATOM 1168 O LYS A 73 27.525 2.485 0.373 1.00 0.00 O ATOM 1169 CB LYS A 73 25.506 2.002 -1.493 1.00 0.00 C ATOM 1170 CG LYS A 73 25.739 0.618 -0.883 1.00 0.00 C ATOM 1171 CD LYS A 73 24.440 -0.191 -0.848 1.00 0.00 C ATOM 1172 CE LYS A 73 24.310 -1.072 -2.092 1.00 0.00 C ATOM 1173 NZ LYS A 73 22.890 -1.201 -2.489 1.00 0.00 N ATOM 0 H LYS A 73 28.092 1.107 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 73 26.568 3.623 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 73 25.005 2.643 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.844 1.917 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 73 26.490 0.082 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.133 0.724 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.419 -0.813 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.588 0.485 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 73 24.885 -0.641 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 73 24.729 -2.058 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 22.819 -1.802 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 22.350 -1.632 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 22.502 -0.260 -2.700 1.00 0.00 H new ATOM 1187 N GLY A 74 28.923 3.498 -1.088 1.00 0.00 N ATOM 1188 CA GLY A 74 29.939 3.783 -0.090 1.00 0.00 C ATOM 1189 C GLY A 74 30.068 5.289 0.148 1.00 0.00 C ATOM 1190 O GLY A 74 31.089 5.889 -0.186 1.00 0.00 O ATOM 0 H GLY A 74 29.150 3.817 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 74 29.685 3.284 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 74 30.898 3.380 -0.416 1.00 0.00 H new ATOM 1194 N ASN A 75 29.018 5.858 0.721 1.00 0.00 N ATOM 1195 CA ASN A 75 29.000 7.282 1.007 1.00 0.00 C ATOM 1196 C ASN A 75 28.381 7.514 2.387 1.00 0.00 C ATOM 1197 O ASN A 75 27.831 6.592 2.987 1.00 0.00 O ATOM 1198 CB ASN A 75 28.159 8.040 -0.022 1.00 0.00 C ATOM 1199 CG ASN A 75 26.665 7.862 0.253 1.00 0.00 C ATOM 1200 OD1 ASN A 75 26.058 6.861 -0.091 1.00 0.00 O ATOM 1201 ND2 ASN A 75 26.106 8.886 0.892 1.00 0.00 N ATOM 0 H ASN A 75 28.172 5.358 0.995 1.00 0.00 H new ATOM 0 HA ASN A 75 30.027 7.645 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 75 28.414 9.100 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 75 28.393 7.681 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 75 25.113 8.863 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 75 26.671 9.695 1.152 1.00 0.00 H new ATOM 1208 N TYR A 76 28.492 8.750 2.849 1.00 0.00 N ATOM 1209 CA TYR A 76 27.950 9.115 4.147 1.00 0.00 C ATOM 1210 C TYR A 76 27.635 10.611 4.210 1.00 0.00 C ATOM 1211 O TYR A 76 28.242 11.407 3.495 1.00 0.00 O ATOM 1212 CB TYR A 76 29.044 8.793 5.167 1.00 0.00 C ATOM 1213 CG TYR A 76 30.284 8.132 4.561 1.00 0.00 C ATOM 1214 CD1 TYR A 76 30.339 6.759 4.430 1.00 0.00 C ATOM 1215 CD2 TYR A 76 31.347 8.908 4.146 1.00 0.00 C ATOM 1216 CE1 TYR A 76 31.506 6.137 3.860 1.00 0.00 C ATOM 1217 CE2 TYR A 76 32.514 8.286 3.576 1.00 0.00 C ATOM 1218 CZ TYR A 76 32.536 6.931 3.461 1.00 0.00 C ATOM 1219 OH TYR A 76 33.638 6.343 2.923 1.00 0.00 O ATOM 0 H TYR A 76 28.949 9.512 2.348 1.00 0.00 H new ATOM 0 HA TYR A 76 27.024 8.573 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 76 29.343 9.714 5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 76 28.631 8.135 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 76 29.507 6.152 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 76 31.304 9.982 4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.562 5.064 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 76 33.353 8.882 3.247 1.00 0.00 H new ATOM 0 HH TYR A 76 34.292 7.032 2.683 1.00 0.00 H new ATOM 1229 N TRP A 77 26.687 10.948 5.071 1.00 0.00 N ATOM 1230 CA TRP A 77 26.285 12.335 5.236 1.00 0.00 C ATOM 1231 C TRP A 77 26.610 12.754 6.671 1.00 0.00 C ATOM 1232 O TRP A 77 27.061 11.938 7.473 1.00 0.00 O ATOM 1233 CB TRP A 77 24.809 12.524 4.878 1.00 0.00 C ATOM 1234 CG TRP A 77 24.471 12.174 3.428 1.00 0.00 C ATOM 1235 CD1 TRP A 77 25.245 11.554 2.526 1.00 0.00 C ATOM 1236 CD2 TRP A 77 23.230 12.449 2.743 1.00 0.00 C ATOM 1237 NE1 TRP A 77 24.598 11.412 1.316 1.00 0.00 N ATOM 1238 CE2 TRP A 77 23.333 11.973 1.452 1.00 0.00 C ATOM 1239 CE3 TRP A 77 22.060 13.080 3.200 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 22.301 12.077 0.512 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 21.038 13.177 2.249 1.00 0.00 C ATOM 1242 CH2 TRP A 77 21.126 12.703 0.945 1.00 0.00 C ATOM 0 H TRP A 77 26.185 10.285 5.662 1.00 0.00 H new ATOM 0 HA TRP A 77 26.836 12.980 4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 77 24.203 11.906 5.541 1.00 0.00 H new ATOM 0 HB3 TRP A 77 24.530 13.561 5.065 1.00 0.00 H new ATOM 0 HD1 TRP A 77 26.249 11.209 2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 77 24.978 10.976 0.476 1.00 0.00 H new ATOM 0 HE3 TRP A 77 21.958 13.460 4.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 22.406 11.695 -0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 20.116 13.653 2.549 1.00 0.00 H new ATOM 0 HH2 TRP A 77 20.292 12.817 0.269 1.00 0.00 H new ATOM 1253 N THR A 78 26.369 14.026 6.951 1.00 0.00 N ATOM 1254 CA THR A 78 26.630 14.564 8.275 1.00 0.00 C ATOM 1255 C THR A 78 25.568 15.599 8.651 1.00 0.00 C ATOM 1256 O THR A 78 25.087 16.339 7.794 1.00 0.00 O ATOM 1257 CB THR A 78 28.054 15.124 8.285 1.00 0.00 C ATOM 1258 OG1 THR A 78 28.883 13.967 8.229 1.00 0.00 O ATOM 1259 CG2 THR A 78 28.417 15.777 9.621 1.00 0.00 C ATOM 0 H THR A 78 25.995 14.700 6.283 1.00 0.00 H new ATOM 0 HA THR A 78 26.564 13.787 9.037 1.00 0.00 H new ATOM 0 HB THR A 78 28.162 15.854 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 78 29.825 14.239 8.230 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.437 16.158 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 78 27.731 16.600 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.341 15.039 10.419 1.00 0.00 H new ATOM 1267 N LEU A 79 25.232 15.617 9.932 1.00 0.00 N ATOM 1268 CA LEU A 79 24.235 16.549 10.431 1.00 0.00 C ATOM 1269 C LEU A 79 24.871 17.449 11.493 1.00 0.00 C ATOM 1270 O LEU A 79 25.906 17.107 12.063 1.00 0.00 O ATOM 1271 CB LEU A 79 22.998 15.796 10.925 1.00 0.00 C ATOM 1272 CG LEU A 79 21.686 16.583 10.916 1.00 0.00 C ATOM 1273 CD1 LEU A 79 20.664 15.934 9.981 1.00 0.00 C ATOM 1274 CD2 LEU A 79 21.139 16.754 12.334 1.00 0.00 C ATOM 0 H LEU A 79 25.632 15.001 10.640 1.00 0.00 H new ATOM 0 HA LEU A 79 23.886 17.199 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.869 14.906 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 79 23.187 15.455 11.943 1.00 0.00 H new ATOM 0 HG LEU A 79 21.889 17.581 10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.741 16.513 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.063 15.909 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.459 14.917 10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.206 17.317 12.299 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.955 15.774 12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 79 21.865 17.294 12.942 1.00 0.00 H new ATOM 1286 N ASP A 80 24.225 18.583 11.725 1.00 0.00 N ATOM 1287 CA ASP A 80 24.715 19.535 12.708 1.00 0.00 C ATOM 1288 C ASP A 80 24.170 19.162 14.088 1.00 0.00 C ATOM 1289 O ASP A 80 23.142 18.495 14.195 1.00 0.00 O ATOM 1290 CB ASP A 80 24.244 20.954 12.382 1.00 0.00 C ATOM 1291 CG ASP A 80 25.361 21.992 12.254 1.00 0.00 C ATOM 1292 OD1 ASP A 80 26.404 21.634 11.664 1.00 0.00 O ATOM 1293 OD2 ASP A 80 25.147 23.119 12.748 1.00 0.00 O ATOM 0 H ASP A 80 23.367 18.864 11.250 1.00 0.00 H new ATOM 0 HA ASP A 80 25.804 19.504 12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 80 23.683 20.929 11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 80 23.553 21.279 13.160 1.00 0.00 H new ATOM 1298 N PRO A 81 24.903 19.620 15.138 1.00 0.00 N ATOM 1299 CA PRO A 81 24.505 19.342 16.507 1.00 0.00 C ATOM 1300 C PRO A 81 23.312 20.207 16.918 1.00 0.00 C ATOM 1301 O PRO A 81 23.486 21.266 17.519 1.00 0.00 O ATOM 1302 CB PRO A 81 25.747 19.609 17.341 1.00 0.00 C ATOM 1303 CG PRO A 81 26.653 20.469 16.474 1.00 0.00 C ATOM 1304 CD PRO A 81 26.126 20.413 15.050 1.00 0.00 C ATOM 0 HA PRO A 81 24.162 18.316 16.645 1.00 0.00 H new ATOM 0 HB2 PRO A 81 25.492 20.122 18.268 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.240 18.677 17.617 1.00 0.00 H new ATOM 0 HG2 PRO A 81 26.665 21.497 16.836 1.00 0.00 H new ATOM 0 HG3 PRO A 81 27.679 20.105 16.516 1.00 0.00 H new ATOM 0 HD2 PRO A 81 25.923 21.412 14.663 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.850 19.952 14.378 1.00 0.00 H new ATOM 1312 N GLN A 82 22.126 19.724 16.577 1.00 0.00 N ATOM 1313 CA GLN A 82 20.904 20.440 16.902 1.00 0.00 C ATOM 1314 C GLN A 82 19.723 19.855 16.125 1.00 0.00 C ATOM 1315 O GLN A 82 18.903 20.596 15.585 1.00 0.00 O ATOM 1316 CB GLN A 82 21.056 21.937 16.625 1.00 0.00 C ATOM 1317 CG GLN A 82 20.996 22.744 17.924 1.00 0.00 C ATOM 1318 CD GLN A 82 20.729 24.223 17.639 1.00 0.00 C ATOM 1319 OE1 GLN A 82 19.625 24.721 17.788 1.00 0.00 O ATOM 1320 NE2 GLN A 82 21.798 24.895 17.221 1.00 0.00 N ATOM 0 H GLN A 82 21.985 18.845 16.079 1.00 0.00 H new ATOM 0 HA GLN A 82 20.707 20.319 17.967 1.00 0.00 H new ATOM 0 HB2 GLN A 82 22.004 22.123 16.121 1.00 0.00 H new ATOM 0 HB3 GLN A 82 20.266 22.268 15.950 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.211 22.346 18.567 1.00 0.00 H new ATOM 0 HG3 GLN A 82 21.936 22.638 18.466 1.00 0.00 H new ATOM 0 HE21 GLN A 82 22.693 24.417 17.118 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.723 25.889 17.004 1.00 0.00 H new ATOM 1329 N SER A 83 19.674 18.532 16.093 1.00 0.00 N ATOM 1330 CA SER A 83 18.607 17.839 15.391 1.00 0.00 C ATOM 1331 C SER A 83 17.325 17.870 16.226 1.00 0.00 C ATOM 1332 O SER A 83 16.248 18.157 15.705 1.00 0.00 O ATOM 1333 CB SER A 83 19.001 16.395 15.077 1.00 0.00 C ATOM 1334 OG SER A 83 17.866 15.535 15.005 1.00 0.00 O ATOM 0 H SER A 83 20.356 17.921 16.542 1.00 0.00 H new ATOM 0 HA SER A 83 18.430 18.352 14.446 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.540 16.364 14.130 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.684 16.031 15.844 1.00 0.00 H new ATOM 0 HG SER A 83 18.079 14.676 15.426 1.00 0.00 H new ATOM 1340 N GLU A 84 17.483 17.571 17.507 1.00 0.00 N ATOM 1341 CA GLU A 84 16.352 17.560 18.418 1.00 0.00 C ATOM 1342 C GLU A 84 15.655 18.923 18.415 1.00 0.00 C ATOM 1343 O GLU A 84 14.435 19.000 18.280 1.00 0.00 O ATOM 1344 CB GLU A 84 16.790 17.172 19.832 1.00 0.00 C ATOM 1345 CG GLU A 84 15.593 17.126 20.784 1.00 0.00 C ATOM 1346 CD GLU A 84 15.759 16.012 21.819 1.00 0.00 C ATOM 1347 OE1 GLU A 84 16.210 14.920 21.411 1.00 0.00 O ATOM 1348 OE2 GLU A 84 15.431 16.277 22.996 1.00 0.00 O ATOM 0 H GLU A 84 18.378 17.334 17.935 1.00 0.00 H new ATOM 0 HA GLU A 84 15.641 16.809 18.074 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.280 16.198 19.811 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.524 17.890 20.199 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.489 18.086 21.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.677 16.965 20.215 1.00 0.00 H new ATOM 1355 N ASP A 85 16.461 19.964 18.566 1.00 0.00 N ATOM 1356 CA ASP A 85 15.938 21.319 18.582 1.00 0.00 C ATOM 1357 C ASP A 85 15.324 21.641 17.218 1.00 0.00 C ATOM 1358 O ASP A 85 14.244 22.224 17.141 1.00 0.00 O ATOM 1359 CB ASP A 85 17.049 22.336 18.853 1.00 0.00 C ATOM 1360 CG ASP A 85 16.638 23.527 19.720 1.00 0.00 C ATOM 1361 OD1 ASP A 85 16.435 23.303 20.933 1.00 0.00 O ATOM 1362 OD2 ASP A 85 16.536 24.635 19.150 1.00 0.00 O ATOM 0 H ASP A 85 17.473 19.896 18.678 1.00 0.00 H new ATOM 0 HA ASP A 85 15.191 21.382 19.373 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.880 21.823 19.337 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.418 22.711 17.899 1.00 0.00 H new ATOM 1367 N MET A 86 16.040 21.246 16.175 1.00 0.00 N ATOM 1368 CA MET A 86 15.580 21.485 14.818 1.00 0.00 C ATOM 1369 C MET A 86 14.259 20.761 14.551 1.00 0.00 C ATOM 1370 O MET A 86 13.334 21.338 13.982 1.00 0.00 O ATOM 1371 CB MET A 86 16.638 20.998 13.826 1.00 0.00 C ATOM 1372 CG MET A 86 16.207 21.274 12.385 1.00 0.00 C ATOM 1373 SD MET A 86 16.950 20.079 11.286 1.00 0.00 S ATOM 1374 CE MET A 86 15.785 18.737 11.455 1.00 0.00 C ATOM 0 H MET A 86 16.935 20.762 16.243 1.00 0.00 H new ATOM 0 HA MET A 86 15.418 22.556 14.693 1.00 0.00 H new ATOM 0 HB2 MET A 86 17.587 21.496 14.027 1.00 0.00 H new ATOM 0 HB3 MET A 86 16.804 19.929 13.961 1.00 0.00 H new ATOM 0 HG2 MET A 86 15.121 21.227 12.306 1.00 0.00 H new ATOM 0 HG3 MET A 86 16.504 22.282 12.094 1.00 0.00 H new ATOM 0 HE1 MET A 86 16.223 17.822 11.055 1.00 0.00 H new ATOM 0 HE2 MET A 86 15.545 18.594 12.509 1.00 0.00 H new ATOM 0 HE3 MET A 86 14.875 18.974 10.905 1.00 0.00 H new ATOM 1384 N PHE A 87 14.212 19.507 14.976 1.00 0.00 N ATOM 1385 CA PHE A 87 13.020 18.697 14.791 1.00 0.00 C ATOM 1386 C PHE A 87 12.055 18.865 15.966 1.00 0.00 C ATOM 1387 O PHE A 87 11.199 18.013 16.198 1.00 0.00 O ATOM 1388 CB PHE A 87 13.475 17.238 14.725 1.00 0.00 C ATOM 1389 CG PHE A 87 13.874 16.774 13.322 1.00 0.00 C ATOM 1390 CD1 PHE A 87 13.103 17.105 12.252 1.00 0.00 C ATOM 1391 CD2 PHE A 87 14.998 16.030 13.146 1.00 0.00 C ATOM 1392 CE1 PHE A 87 13.473 16.673 10.950 1.00 0.00 C ATOM 1393 CE2 PHE A 87 15.368 15.598 11.845 1.00 0.00 C ATOM 1394 CZ PHE A 87 14.597 15.929 10.774 1.00 0.00 C ATOM 0 H PHE A 87 14.981 19.032 15.448 1.00 0.00 H new ATOM 0 HA PHE A 87 12.501 19.002 13.882 1.00 0.00 H new ATOM 0 HB2 PHE A 87 14.323 17.102 15.397 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.671 16.600 15.093 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.210 17.696 12.392 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.610 15.767 13.996 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.861 16.936 10.100 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.261 15.007 11.706 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.878 15.601 9.784 1.00 0.00 H new