USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 625 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 17 SER OG : rot 130:sc= -3.34! USER MOD Set 1.2: A 71 HIS : no HD1:sc= -2.88 K(o=-6.2,f=-8.5!) USER MOD Single : A 10 SER OG : rot 83:sc= 0.00484 USER MOD Single : A 11 TYR OH : rot -23:sc= -0.594! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 28 TYR OH : rot -129:sc= 0.168 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.71) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -5.99! C(o=-6!,f=-10!) USER MOD Single : A 50 SER OG : rot 80:sc= -0.606! USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 54 SER OG : rot -85:sc= -4.06! USER MOD Single : A 55 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-0.1) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.38) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 78 ASN : amide:sc= 1.07 K(o=1.1,f=-1.6) USER MOD Single : A 79 ASN : amide:sc= -2.32 K(o=-2.3,f=-10!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -2.19! USER MOD ----------------------------------------------------------------- ATOM 71 N LEU A 6 4.894 -6.106 2.703 1.00 0.00 N ATOM 72 CA LEU A 6 5.302 -6.931 1.576 1.00 0.00 C ATOM 73 C LEU A 6 6.818 -6.953 1.468 1.00 0.00 C ATOM 74 O LEU A 6 7.496 -5.969 1.774 1.00 0.00 O ATOM 75 CB LEU A 6 4.705 -6.384 0.268 1.00 0.00 C ATOM 76 CG LEU A 6 3.245 -6.753 -0.030 1.00 0.00 C ATOM 77 CD1 LEU A 6 3.091 -8.259 -0.156 1.00 0.00 C ATOM 78 CD2 LEU A 6 2.310 -6.206 1.040 1.00 0.00 C ATOM 0 HA LEU A 6 4.935 -7.944 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.785 -5.297 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.321 -6.735 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 6 2.970 -6.296 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.050 -8.502 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.720 -8.622 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.392 -8.735 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.283 -6.483 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.583 -6.623 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.394 -5.120 1.076 1.00 0.00 H new ATOM 90 N PRO A 7 7.360 -8.099 1.076 1.00 0.00 N ATOM 91 CA PRO A 7 8.785 -8.261 0.820 1.00 0.00 C ATOM 92 C PRO A 7 9.304 -7.240 -0.178 1.00 0.00 C ATOM 93 O PRO A 7 8.581 -6.788 -1.062 1.00 0.00 O ATOM 94 CB PRO A 7 8.876 -9.664 0.229 1.00 0.00 C ATOM 95 CG PRO A 7 7.694 -10.371 0.785 1.00 0.00 C ATOM 96 CD PRO A 7 6.615 -9.346 0.875 1.00 0.00 C ATOM 0 HA PRO A 7 9.383 -8.119 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.849 -9.640 -0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.805 -10.157 0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.395 -11.199 0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.916 -10.793 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.012 -9.314 -0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.935 -9.548 1.703 1.00 0.00 H new ATOM 104 N ILE A 8 10.576 -6.896 -0.034 1.00 0.00 N ATOM 105 CA ILE A 8 11.222 -5.905 -0.889 1.00 0.00 C ATOM 106 C ILE A 8 11.168 -6.272 -2.369 1.00 0.00 C ATOM 107 O ILE A 8 11.370 -5.419 -3.232 1.00 0.00 O ATOM 108 CB ILE A 8 12.692 -5.657 -0.479 1.00 0.00 C ATOM 109 CG1 ILE A 8 13.299 -6.874 0.238 1.00 0.00 C ATOM 110 CG2 ILE A 8 12.781 -4.421 0.395 1.00 0.00 C ATOM 111 CD1 ILE A 8 13.329 -8.139 -0.596 1.00 0.00 C ATOM 0 H ILE A 8 11.190 -7.294 0.677 1.00 0.00 H new ATOM 0 HA ILE A 8 10.651 -4.988 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 8 13.273 -5.497 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 8 14.316 -6.630 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.730 -7.066 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.819 -4.251 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.411 -3.557 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.177 -4.565 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.772 -8.948 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.313 -8.411 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.924 -7.969 -1.493 1.00 0.00 H new ATOM 123 N ALA A 9 10.891 -7.533 -2.664 1.00 0.00 N ATOM 124 CA ALA A 9 10.775 -7.975 -4.040 1.00 0.00 C ATOM 125 C ALA A 9 9.421 -7.582 -4.621 1.00 0.00 C ATOM 126 O ALA A 9 9.248 -7.518 -5.836 1.00 0.00 O ATOM 127 CB ALA A 9 10.967 -9.473 -4.137 1.00 0.00 C ATOM 0 H ALA A 9 10.743 -8.265 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 9 11.557 -7.484 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.876 -9.785 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.956 -9.738 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.207 -9.977 -3.540 1.00 0.00 H new ATOM 133 N SER A 10 8.461 -7.319 -3.743 1.00 0.00 N ATOM 134 CA SER A 10 7.131 -6.918 -4.168 1.00 0.00 C ATOM 135 C SER A 10 7.152 -5.496 -4.717 1.00 0.00 C ATOM 136 O SER A 10 6.328 -5.131 -5.556 1.00 0.00 O ATOM 137 CB SER A 10 6.153 -7.022 -2.999 1.00 0.00 C ATOM 138 OG SER A 10 6.210 -8.310 -2.408 1.00 0.00 O ATOM 0 H SER A 10 8.582 -7.377 -2.732 1.00 0.00 H new ATOM 0 HA SER A 10 6.802 -7.588 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.389 -6.264 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.140 -6.821 -3.348 1.00 0.00 H new ATOM 0 HG SER A 10 6.954 -8.345 -1.772 1.00 0.00 H new ATOM 144 N TYR A 11 8.110 -4.702 -4.257 1.00 0.00 N ATOM 145 CA TYR A 11 8.250 -3.333 -4.728 1.00 0.00 C ATOM 146 C TYR A 11 9.459 -3.217 -5.642 1.00 0.00 C ATOM 147 O TYR A 11 9.935 -2.115 -5.911 1.00 0.00 O ATOM 148 CB TYR A 11 8.437 -2.359 -3.578 1.00 0.00 C ATOM 149 CG TYR A 11 7.732 -2.739 -2.307 1.00 0.00 C ATOM 150 CD1 TYR A 11 8.408 -3.428 -1.317 1.00 0.00 C ATOM 151 CD2 TYR A 11 6.409 -2.395 -2.090 1.00 0.00 C ATOM 152 CE1 TYR A 11 7.785 -3.764 -0.136 1.00 0.00 C ATOM 153 CE2 TYR A 11 5.773 -2.729 -0.915 1.00 0.00 C ATOM 154 CZ TYR A 11 6.464 -3.411 0.058 1.00 0.00 C ATOM 155 OH TYR A 11 5.838 -3.724 1.235 1.00 0.00 O ATOM 0 H TYR A 11 8.800 -4.983 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 11 7.333 -3.084 -5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.503 -2.264 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.085 -1.376 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.440 -3.707 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.867 -1.857 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.324 -4.299 0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.739 -2.457 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 11 6.298 -4.478 1.660 1.00 0.00 H new ATOM 165 N ALA A 12 9.977 -4.362 -6.082 1.00 0.00 N ATOM 166 CA ALA A 12 11.172 -4.394 -6.915 1.00 0.00 C ATOM 167 C ALA A 12 11.027 -3.490 -8.141 1.00 0.00 C ATOM 168 O ALA A 12 10.218 -3.755 -9.034 1.00 0.00 O ATOM 169 CB ALA A 12 11.473 -5.822 -7.337 1.00 0.00 C ATOM 0 H ALA A 12 9.585 -5.280 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 12 12.006 -4.013 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.368 -5.837 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.637 -6.436 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.631 -6.219 -7.903 1.00 0.00 H new ATOM 175 N GLY A 13 11.810 -2.418 -8.159 1.00 0.00 N ATOM 176 CA GLY A 13 11.794 -1.469 -9.259 1.00 0.00 C ATOM 177 C GLY A 13 10.520 -0.657 -9.309 1.00 0.00 C ATOM 178 O GLY A 13 10.066 -0.255 -10.382 1.00 0.00 O ATOM 0 H GLY A 13 12.469 -2.185 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.646 -0.796 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.915 -2.007 -10.199 1.00 0.00 H new ATOM 182 N LEU A 14 9.957 -0.393 -8.143 1.00 0.00 N ATOM 183 CA LEU A 14 8.690 0.307 -8.051 1.00 0.00 C ATOM 184 C LEU A 14 8.798 1.519 -7.143 1.00 0.00 C ATOM 185 O LEU A 14 9.796 1.706 -6.446 1.00 0.00 O ATOM 186 CB LEU A 14 7.603 -0.635 -7.537 1.00 0.00 C ATOM 187 CG LEU A 14 7.329 -1.846 -8.426 1.00 0.00 C ATOM 188 CD1 LEU A 14 6.288 -2.742 -7.788 1.00 0.00 C ATOM 189 CD2 LEU A 14 6.877 -1.408 -9.812 1.00 0.00 C ATOM 0 H LEU A 14 10.360 -0.655 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 14 8.423 0.652 -9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.887 -0.987 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.678 -0.070 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 14 8.256 -2.409 -8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.103 -3.601 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.649 -3.087 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.362 -2.184 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.688 -2.287 -10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.963 -0.820 -9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.656 -0.802 -10.274 1.00 0.00 H new ATOM 201 N THR A 15 7.766 2.340 -7.163 1.00 0.00 N ATOM 202 CA THR A 15 7.729 3.543 -6.356 1.00 0.00 C ATOM 203 C THR A 15 6.656 3.399 -5.271 1.00 0.00 C ATOM 204 O THR A 15 5.471 3.284 -5.579 1.00 0.00 O ATOM 205 CB THR A 15 7.426 4.765 -7.243 1.00 0.00 C ATOM 206 OG1 THR A 15 7.860 4.505 -8.586 1.00 0.00 O ATOM 207 CG2 THR A 15 8.146 6.001 -6.739 1.00 0.00 C ATOM 0 H THR A 15 6.935 2.193 -7.735 1.00 0.00 H new ATOM 0 HA THR A 15 8.700 3.689 -5.882 1.00 0.00 H new ATOM 0 HB THR A 15 6.351 4.941 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.665 5.283 -9.149 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.913 6.847 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.822 6.221 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.222 5.824 -6.747 1.00 0.00 H new ATOM 215 N VAL A 16 7.076 3.381 -4.010 1.00 0.00 N ATOM 216 CA VAL A 16 6.158 3.165 -2.892 1.00 0.00 C ATOM 217 C VAL A 16 5.907 4.457 -2.127 1.00 0.00 C ATOM 218 O VAL A 16 6.690 5.398 -2.209 1.00 0.00 O ATOM 219 CB VAL A 16 6.689 2.087 -1.932 1.00 0.00 C ATOM 220 CG1 VAL A 16 6.872 0.778 -2.674 1.00 0.00 C ATOM 221 CG2 VAL A 16 7.988 2.523 -1.281 1.00 0.00 C ATOM 0 H VAL A 16 8.049 3.514 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 16 5.215 2.820 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 16 5.956 1.942 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.248 0.020 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.915 0.454 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.585 0.917 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.338 1.740 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.738 2.702 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.822 3.440 -0.716 1.00 0.00 H new ATOM 231 N SER A 17 4.802 4.500 -1.399 1.00 0.00 N ATOM 232 CA SER A 17 4.433 5.685 -0.634 1.00 0.00 C ATOM 233 C SER A 17 5.365 5.856 0.561 1.00 0.00 C ATOM 234 O SER A 17 6.014 4.899 0.968 1.00 0.00 O ATOM 235 CB SER A 17 2.982 5.582 -0.155 1.00 0.00 C ATOM 236 OG SER A 17 2.561 6.767 0.490 1.00 0.00 O ATOM 0 H SER A 17 4.142 3.726 -1.321 1.00 0.00 H new ATOM 0 HA SER A 17 4.527 6.556 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.331 5.379 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.883 4.740 0.530 1.00 0.00 H new ATOM 0 HG SER A 17 1.706 7.060 0.110 1.00 0.00 H new ATOM 242 N ALA A 18 5.427 7.053 1.125 1.00 0.00 N ATOM 243 CA ALA A 18 6.286 7.302 2.282 1.00 0.00 C ATOM 244 C ALA A 18 5.971 6.342 3.446 1.00 0.00 C ATOM 245 O ALA A 18 6.889 5.746 4.005 1.00 0.00 O ATOM 246 CB ALA A 18 6.190 8.753 2.730 1.00 0.00 C ATOM 0 H ALA A 18 4.898 7.865 0.806 1.00 0.00 H new ATOM 0 HA ALA A 18 7.313 7.109 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.838 8.911 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.503 9.407 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.160 8.982 3.004 1.00 0.00 H new ATOM 252 N PRO A 19 4.676 6.167 3.827 1.00 0.00 N ATOM 253 CA PRO A 19 4.276 5.225 4.886 1.00 0.00 C ATOM 254 C PRO A 19 4.892 3.832 4.724 1.00 0.00 C ATOM 255 O PRO A 19 5.333 3.225 5.698 1.00 0.00 O ATOM 256 CB PRO A 19 2.760 5.142 4.729 1.00 0.00 C ATOM 257 CG PRO A 19 2.365 6.454 4.155 1.00 0.00 C ATOM 258 CD PRO A 19 3.509 6.896 3.290 1.00 0.00 C ATOM 0 HA PRO A 19 4.613 5.567 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.475 4.321 4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.272 4.967 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.449 6.363 3.572 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.170 7.181 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.334 6.650 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.655 7.975 3.344 1.00 0.00 H new ATOM 266 N VAL A 20 4.922 3.336 3.491 1.00 0.00 N ATOM 267 CA VAL A 20 5.474 2.017 3.205 1.00 0.00 C ATOM 268 C VAL A 20 6.988 2.103 3.038 1.00 0.00 C ATOM 269 O VAL A 20 7.716 1.234 3.501 1.00 0.00 O ATOM 270 CB VAL A 20 4.803 1.374 1.951 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.243 2.434 1.029 1.00 0.00 C ATOM 272 CG2 VAL A 20 5.765 0.476 1.177 1.00 0.00 C ATOM 0 H VAL A 20 4.569 3.830 2.671 1.00 0.00 H new ATOM 0 HA VAL A 20 5.256 1.368 4.053 1.00 0.00 H new ATOM 0 HB VAL A 20 3.987 0.753 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.782 1.957 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.495 3.021 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.048 3.089 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.252 0.052 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.619 1.063 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.112 -0.329 1.825 1.00 0.00 H new ATOM 282 N PHE A 21 7.442 3.179 2.410 1.00 0.00 N ATOM 283 CA PHE A 21 8.860 3.423 2.183 1.00 0.00 C ATOM 284 C PHE A 21 9.620 3.501 3.503 1.00 0.00 C ATOM 285 O PHE A 21 10.570 2.755 3.731 1.00 0.00 O ATOM 286 CB PHE A 21 9.033 4.733 1.416 1.00 0.00 C ATOM 287 CG PHE A 21 10.417 4.934 0.887 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.380 5.563 1.651 1.00 0.00 C ATOM 289 CD2 PHE A 21 10.755 4.476 -0.370 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.661 5.729 1.170 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.033 4.642 -0.861 1.00 0.00 C ATOM 292 CZ PHE A 21 12.990 5.265 -0.089 1.00 0.00 C ATOM 0 H PHE A 21 6.834 3.911 2.042 1.00 0.00 H new ATOM 0 HA PHE A 21 9.265 2.594 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.328 4.755 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.778 5.566 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.127 5.929 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.010 3.982 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.407 6.221 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.284 4.284 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.994 5.390 -0.467 1.00 0.00 H new ATOM 302 N ALA A 22 9.186 4.405 4.372 1.00 0.00 N ATOM 303 CA ALA A 22 9.841 4.620 5.654 1.00 0.00 C ATOM 304 C ALA A 22 9.752 3.377 6.524 1.00 0.00 C ATOM 305 O ALA A 22 10.668 3.074 7.291 1.00 0.00 O ATOM 306 CB ALA A 22 9.225 5.812 6.369 1.00 0.00 C ATOM 0 H ALA A 22 8.377 5.005 4.209 1.00 0.00 H new ATOM 0 HA ALA A 22 10.894 4.829 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.725 5.960 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.343 6.705 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.164 5.626 6.539 1.00 0.00 H new ATOM 312 N ALA A 23 8.656 2.643 6.389 1.00 0.00 N ATOM 313 CA ALA A 23 8.470 1.425 7.147 1.00 0.00 C ATOM 314 C ALA A 23 9.367 0.336 6.598 1.00 0.00 C ATOM 315 O ALA A 23 9.942 -0.444 7.346 1.00 0.00 O ATOM 316 CB ALA A 23 7.020 1.001 7.106 1.00 0.00 C ATOM 0 H ALA A 23 7.886 2.874 5.761 1.00 0.00 H new ATOM 0 HA ALA A 23 8.741 1.605 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.893 0.083 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.399 1.787 7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.721 0.827 6.072 1.00 0.00 H new ATOM 322 N LEU A 24 9.478 0.303 5.281 1.00 0.00 N ATOM 323 CA LEU A 24 10.397 -0.583 4.592 1.00 0.00 C ATOM 324 C LEU A 24 11.823 -0.317 5.036 1.00 0.00 C ATOM 325 O LEU A 24 12.544 -1.234 5.373 1.00 0.00 O ATOM 326 CB LEU A 24 10.283 -0.350 3.097 1.00 0.00 C ATOM 327 CG LEU A 24 9.643 -1.463 2.271 1.00 0.00 C ATOM 328 CD1 LEU A 24 8.484 -2.120 3.002 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.170 -0.872 0.962 1.00 0.00 C ATOM 0 H LEU A 24 8.929 0.894 4.657 1.00 0.00 H new ATOM 0 HA LEU A 24 10.143 -1.616 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.709 0.563 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.284 -0.169 2.705 1.00 0.00 H new ATOM 0 HG LEU A 24 10.386 -2.241 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.059 -2.906 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.842 -2.553 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.719 -1.374 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.709 -1.652 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.440 -0.087 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.020 -0.450 0.425 1.00 0.00 H new ATOM 341 N VAL A 25 12.222 0.944 5.035 1.00 0.00 N ATOM 342 CA VAL A 25 13.548 1.329 5.521 1.00 0.00 C ATOM 343 C VAL A 25 13.723 0.908 6.978 1.00 0.00 C ATOM 344 O VAL A 25 14.823 0.586 7.427 1.00 0.00 O ATOM 345 CB VAL A 25 13.785 2.848 5.395 1.00 0.00 C ATOM 346 CG1 VAL A 25 15.150 3.231 5.945 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.658 3.284 3.950 1.00 0.00 C ATOM 0 H VAL A 25 11.651 1.722 4.705 1.00 0.00 H new ATOM 0 HA VAL A 25 14.281 0.816 4.899 1.00 0.00 H new ATOM 0 HB VAL A 25 13.024 3.361 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.294 4.307 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.209 2.953 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.927 2.708 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.828 4.358 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.397 2.758 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.658 3.050 3.586 1.00 0.00 H new ATOM 357 N THR A 26 12.620 0.884 7.697 1.00 0.00 N ATOM 358 CA THR A 26 12.623 0.468 9.090 1.00 0.00 C ATOM 359 C THR A 26 13.003 -1.015 9.222 1.00 0.00 C ATOM 360 O THR A 26 13.796 -1.386 10.087 1.00 0.00 O ATOM 361 CB THR A 26 11.248 0.729 9.750 1.00 0.00 C ATOM 362 OG1 THR A 26 10.993 2.141 9.796 1.00 0.00 O ATOM 363 CG2 THR A 26 11.189 0.155 11.158 1.00 0.00 C ATOM 0 H THR A 26 11.702 1.149 7.339 1.00 0.00 H new ATOM 0 HA THR A 26 13.374 1.063 9.610 1.00 0.00 H new ATOM 0 HB THR A 26 10.486 0.233 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.628 2.436 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.210 0.356 11.592 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.355 -0.922 11.119 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.961 0.619 11.773 1.00 0.00 H new ATOM 371 N VAL A 27 12.478 -1.848 8.331 1.00 0.00 N ATOM 372 CA VAL A 27 12.695 -3.291 8.416 1.00 0.00 C ATOM 373 C VAL A 27 13.772 -3.770 7.430 1.00 0.00 C ATOM 374 O VAL A 27 14.703 -4.479 7.809 1.00 0.00 O ATOM 375 CB VAL A 27 11.362 -4.068 8.202 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.417 -3.309 7.287 1.00 0.00 C ATOM 377 CG2 VAL A 27 11.611 -5.443 7.624 1.00 0.00 C ATOM 0 H VAL A 27 11.901 -1.553 7.544 1.00 0.00 H new ATOM 0 HA VAL A 27 13.059 -3.503 9.421 1.00 0.00 H new ATOM 0 HB VAL A 27 10.901 -4.172 9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.497 -3.880 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.184 -2.340 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.890 -3.162 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.660 -5.958 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.114 -5.348 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.239 -6.016 8.306 1.00 0.00 H new ATOM 387 N TYR A 28 13.641 -3.366 6.178 1.00 0.00 N ATOM 388 CA TYR A 28 14.551 -3.775 5.116 1.00 0.00 C ATOM 389 C TYR A 28 15.726 -2.811 5.005 1.00 0.00 C ATOM 390 O TYR A 28 16.824 -3.176 4.578 1.00 0.00 O ATOM 391 CB TYR A 28 13.787 -3.827 3.792 1.00 0.00 C ATOM 392 CG TYR A 28 12.567 -4.712 3.860 1.00 0.00 C ATOM 393 CD1 TYR A 28 12.684 -6.096 3.864 1.00 0.00 C ATOM 394 CD2 TYR A 28 11.299 -4.161 3.942 1.00 0.00 C ATOM 395 CE1 TYR A 28 11.568 -6.903 3.949 1.00 0.00 C ATOM 396 CE2 TYR A 28 10.178 -4.960 4.025 1.00 0.00 C ATOM 397 CZ TYR A 28 10.317 -6.330 4.030 1.00 0.00 C ATOM 398 OH TYR A 28 9.203 -7.127 4.120 1.00 0.00 O ATOM 0 H TYR A 28 12.897 -2.742 5.866 1.00 0.00 H new ATOM 0 HA TYR A 28 14.947 -4.763 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 28 13.484 -2.818 3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.451 -4.190 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.663 -6.547 3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 28 11.186 -3.087 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.674 -7.978 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.196 -4.514 4.086 1.00 0.00 H new ATOM 0 HH TYR A 28 8.547 -6.850 3.446 1.00 0.00 H new ATOM 408 N GLY A 29 15.485 -1.569 5.386 1.00 0.00 N ATOM 409 CA GLY A 29 16.513 -0.562 5.311 1.00 0.00 C ATOM 410 C GLY A 29 16.528 0.118 3.965 1.00 0.00 C ATOM 411 O GLY A 29 16.010 -0.423 2.983 1.00 0.00 O ATOM 0 H GLY A 29 14.590 -1.241 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.353 0.181 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.485 -1.019 5.499 1.00 0.00 H new ATOM 415 N ALA A 30 17.116 1.301 3.907 1.00 0.00 N ATOM 416 CA ALA A 30 17.228 2.019 2.651 1.00 0.00 C ATOM 417 C ALA A 30 18.182 1.285 1.724 1.00 0.00 C ATOM 418 O ALA A 30 18.113 1.422 0.507 1.00 0.00 O ATOM 419 CB ALA A 30 17.693 3.445 2.888 1.00 0.00 C ATOM 0 H ALA A 30 17.521 1.781 4.711 1.00 0.00 H new ATOM 0 HA ALA A 30 16.246 2.064 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.770 3.966 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.975 3.961 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.668 3.434 3.375 1.00 0.00 H new ATOM 425 N TYR A 31 19.070 0.499 2.322 1.00 0.00 N ATOM 426 CA TYR A 31 19.995 -0.333 1.586 1.00 0.00 C ATOM 427 C TYR A 31 19.249 -1.393 0.781 1.00 0.00 C ATOM 428 O TYR A 31 19.484 -1.541 -0.416 1.00 0.00 O ATOM 429 CB TYR A 31 20.967 -0.990 2.562 1.00 0.00 C ATOM 430 CG TYR A 31 22.088 -1.731 1.890 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.010 -1.052 1.117 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.225 -3.102 2.033 1.00 0.00 C ATOM 433 CE1 TYR A 31 24.049 -1.718 0.496 1.00 0.00 C ATOM 434 CE2 TYR A 31 23.259 -3.781 1.418 1.00 0.00 C ATOM 435 CZ TYR A 31 24.169 -3.084 0.650 1.00 0.00 C ATOM 436 OH TYR A 31 25.201 -3.753 0.036 1.00 0.00 O ATOM 0 H TYR A 31 19.163 0.426 3.335 1.00 0.00 H new ATOM 0 HA TYR A 31 20.551 0.288 0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.388 -0.224 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.416 -1.682 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.917 0.017 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 31 21.513 -3.648 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.762 -1.174 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 31 23.354 -4.850 1.538 1.00 0.00 H new ATOM 0 HH TYR A 31 25.142 -4.708 0.246 1.00 0.00 H new ATOM 446 N ALA A 32 18.348 -2.131 1.430 1.00 0.00 N ATOM 447 CA ALA A 32 17.556 -3.133 0.733 1.00 0.00 C ATOM 448 C ALA A 32 16.643 -2.477 -0.289 1.00 0.00 C ATOM 449 O ALA A 32 16.502 -2.963 -1.406 1.00 0.00 O ATOM 450 CB ALA A 32 16.742 -3.962 1.707 1.00 0.00 C ATOM 0 H ALA A 32 18.153 -2.052 2.428 1.00 0.00 H new ATOM 0 HA ALA A 32 18.245 -3.798 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.160 -4.702 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.412 -4.469 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.068 -3.311 2.264 1.00 0.00 H new ATOM 456 N LEU A 33 16.036 -1.364 0.092 1.00 0.00 N ATOM 457 CA LEU A 33 15.158 -0.643 -0.813 1.00 0.00 C ATOM 458 C LEU A 33 15.927 -0.123 -2.027 1.00 0.00 C ATOM 459 O LEU A 33 15.417 -0.127 -3.142 1.00 0.00 O ATOM 460 CB LEU A 33 14.455 0.496 -0.070 1.00 0.00 C ATOM 461 CG LEU A 33 13.031 0.186 0.362 1.00 0.00 C ATOM 462 CD1 LEU A 33 12.991 -1.061 1.226 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.451 1.364 1.111 1.00 0.00 C ATOM 0 H LEU A 33 16.135 -0.943 1.016 1.00 0.00 H new ATOM 0 HA LEU A 33 14.398 -1.332 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.041 0.752 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.442 1.377 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 33 12.430 0.002 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.962 -1.264 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.379 -1.908 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.603 -0.907 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.430 1.134 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.057 1.568 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.447 2.241 0.463 1.00 0.00 H new ATOM 475 N TYR A 34 17.165 0.283 -1.809 1.00 0.00 N ATOM 476 CA TYR A 34 18.031 0.711 -2.894 1.00 0.00 C ATOM 477 C TYR A 34 18.413 -0.489 -3.748 1.00 0.00 C ATOM 478 O TYR A 34 18.561 -0.388 -4.967 1.00 0.00 O ATOM 479 CB TYR A 34 19.283 1.383 -2.318 1.00 0.00 C ATOM 480 CG TYR A 34 20.440 1.471 -3.283 1.00 0.00 C ATOM 481 CD1 TYR A 34 20.542 2.519 -4.185 1.00 0.00 C ATOM 482 CD2 TYR A 34 21.435 0.499 -3.284 1.00 0.00 C ATOM 483 CE1 TYR A 34 21.603 2.600 -5.065 1.00 0.00 C ATOM 484 CE2 TYR A 34 22.498 0.573 -4.162 1.00 0.00 C ATOM 485 CZ TYR A 34 22.578 1.625 -5.049 1.00 0.00 C ATOM 486 OH TYR A 34 23.635 1.702 -5.927 1.00 0.00 O ATOM 0 H TYR A 34 17.595 0.325 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 34 17.505 1.431 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.022 2.389 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.603 0.831 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 34 19.780 3.284 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 34 21.375 -0.325 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 34 21.669 3.422 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 34 23.263 -0.189 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 34 24.234 0.939 -5.786 1.00 0.00 H new ATOM 496 N ARG A 35 18.538 -1.630 -3.091 1.00 0.00 N ATOM 497 CA ARG A 35 18.960 -2.858 -3.738 1.00 0.00 C ATOM 498 C ARG A 35 17.914 -3.354 -4.722 1.00 0.00 C ATOM 499 O ARG A 35 18.244 -3.891 -5.778 1.00 0.00 O ATOM 500 CB ARG A 35 19.222 -3.931 -2.690 1.00 0.00 C ATOM 501 CG ARG A 35 20.631 -3.931 -2.136 1.00 0.00 C ATOM 502 CD ARG A 35 20.866 -5.165 -1.286 1.00 0.00 C ATOM 503 NE ARG A 35 20.276 -5.054 0.048 1.00 0.00 N ATOM 504 CZ ARG A 35 19.868 -6.103 0.768 1.00 0.00 C ATOM 505 NH1 ARG A 35 19.908 -7.323 0.245 1.00 0.00 N ATOM 506 NH2 ARG A 35 19.411 -5.930 2.004 1.00 0.00 N ATOM 0 H ARG A 35 18.349 -1.730 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 35 19.876 -2.648 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.521 -3.797 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.016 -4.908 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.350 -3.903 -2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.793 -3.034 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 35 20.447 -6.035 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.938 -5.337 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 35 20.170 -4.123 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.250 -7.459 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.597 -8.124 0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.371 -4.994 2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 35 19.101 -6.734 2.550 1.00 0.00 H new ATOM 520 N TYR A 36 16.656 -3.189 -4.363 1.00 0.00 N ATOM 521 CA TYR A 36 15.563 -3.657 -5.201 1.00 0.00 C ATOM 522 C TYR A 36 14.969 -2.534 -6.030 1.00 0.00 C ATOM 523 O TYR A 36 13.920 -2.698 -6.643 1.00 0.00 O ATOM 524 CB TYR A 36 14.491 -4.314 -4.341 1.00 0.00 C ATOM 525 CG TYR A 36 14.974 -5.602 -3.735 1.00 0.00 C ATOM 526 CD1 TYR A 36 15.820 -5.590 -2.640 1.00 0.00 C ATOM 527 CD2 TYR A 36 14.608 -6.821 -4.275 1.00 0.00 C ATOM 528 CE1 TYR A 36 16.295 -6.759 -2.093 1.00 0.00 C ATOM 529 CE2 TYR A 36 15.073 -8.004 -3.734 1.00 0.00 C ATOM 530 CZ TYR A 36 15.919 -7.967 -2.641 1.00 0.00 C ATOM 531 OH TYR A 36 16.389 -9.141 -2.098 1.00 0.00 O ATOM 0 H TYR A 36 16.363 -2.735 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 36 15.965 -4.394 -5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 36 14.191 -3.629 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 36 13.606 -4.507 -4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 36 16.113 -4.645 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 36 13.950 -6.849 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 36 16.958 -6.731 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 36 14.778 -8.951 -4.162 1.00 0.00 H new ATOM 0 HH TYR A 36 16.029 -9.901 -2.601 1.00 0.00 H new ATOM 541 N ASN A 37 15.663 -1.400 -6.049 1.00 0.00 N ATOM 542 CA ASN A 37 15.237 -0.231 -6.814 1.00 0.00 C ATOM 543 C ASN A 37 13.840 0.207 -6.376 1.00 0.00 C ATOM 544 O ASN A 37 12.960 0.484 -7.192 1.00 0.00 O ATOM 545 CB ASN A 37 15.277 -0.533 -8.319 1.00 0.00 C ATOM 546 CG ASN A 37 15.302 0.721 -9.176 1.00 0.00 C ATOM 547 OD1 ASN A 37 16.367 1.260 -9.471 1.00 0.00 O ATOM 548 ND2 ASN A 37 14.137 1.193 -9.582 1.00 0.00 N ATOM 0 H ASN A 37 16.534 -1.265 -5.536 1.00 0.00 H new ATOM 0 HA ASN A 37 15.926 0.590 -6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.159 -1.135 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.407 -1.132 -8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.100 2.032 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.274 0.718 -9.317 1.00 0.00 H new ATOM 555 N ILE A 38 13.642 0.234 -5.074 1.00 0.00 N ATOM 556 CA ILE A 38 12.398 0.695 -4.496 1.00 0.00 C ATOM 557 C ILE A 38 12.504 2.179 -4.192 1.00 0.00 C ATOM 558 O ILE A 38 13.362 2.606 -3.420 1.00 0.00 O ATOM 559 CB ILE A 38 12.070 -0.077 -3.206 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.014 -1.578 -3.494 1.00 0.00 C ATOM 561 CG2 ILE A 38 10.755 0.406 -2.615 1.00 0.00 C ATOM 562 CD1 ILE A 38 11.850 -2.427 -2.259 1.00 0.00 C ATOM 0 H ILE A 38 14.337 -0.062 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 38 11.595 0.519 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 38 12.858 0.108 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.186 -1.778 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.928 -1.874 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.539 -0.151 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.829 1.468 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.952 0.248 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.818 -3.479 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.691 -2.257 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.922 -2.159 -1.754 1.00 0.00 H new ATOM 574 N ARG A 39 11.645 2.963 -4.814 1.00 0.00 N ATOM 575 CA ARG A 39 11.703 4.411 -4.675 1.00 0.00 C ATOM 576 C ARG A 39 10.523 4.899 -3.858 1.00 0.00 C ATOM 577 O ARG A 39 9.694 4.108 -3.407 1.00 0.00 O ATOM 578 CB ARG A 39 11.679 5.115 -6.031 1.00 0.00 C ATOM 579 CG ARG A 39 12.026 4.237 -7.214 1.00 0.00 C ATOM 580 CD ARG A 39 13.471 3.760 -7.187 1.00 0.00 C ATOM 581 NE ARG A 39 14.411 4.864 -6.982 1.00 0.00 N ATOM 582 CZ ARG A 39 15.611 4.942 -7.558 1.00 0.00 C ATOM 583 NH1 ARG A 39 16.023 3.987 -8.382 1.00 0.00 N ATOM 584 NH2 ARG A 39 16.392 5.987 -7.318 1.00 0.00 N ATOM 0 H ARG A 39 10.898 2.625 -5.421 1.00 0.00 H new ATOM 0 HA ARG A 39 12.642 4.650 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.685 5.534 -6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.377 5.952 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.362 3.372 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.847 4.790 -8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.595 3.026 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.704 3.256 -8.125 1.00 0.00 H new ATOM 0 HE ARG A 39 14.130 5.621 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.421 3.188 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.942 4.052 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.074 6.729 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.310 6.049 -7.757 1.00 0.00 H new ATOM 598 N ARG A 40 10.433 6.205 -3.712 1.00 0.00 N ATOM 599 CA ARG A 40 9.377 6.819 -2.921 1.00 0.00 C ATOM 600 C ARG A 40 8.527 7.716 -3.807 1.00 0.00 C ATOM 601 O ARG A 40 9.046 8.600 -4.489 1.00 0.00 O ATOM 602 CB ARG A 40 9.967 7.618 -1.762 1.00 0.00 C ATOM 603 CG ARG A 40 8.986 7.863 -0.628 1.00 0.00 C ATOM 604 CD ARG A 40 9.651 8.585 0.530 1.00 0.00 C ATOM 605 NE ARG A 40 9.972 9.966 0.194 1.00 0.00 N ATOM 606 CZ ARG A 40 10.855 10.714 0.855 1.00 0.00 C ATOM 607 NH1 ARG A 40 11.477 10.231 1.923 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.108 11.951 0.450 1.00 0.00 N ATOM 0 H ARG A 40 11.082 6.869 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 40 8.748 6.033 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.835 7.088 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.322 8.578 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.145 8.453 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.582 6.912 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.991 8.566 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.563 8.058 0.811 1.00 0.00 H new ATOM 0 HE ARG A 40 9.489 10.388 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.280 9.282 2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.152 10.808 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.627 12.329 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.784 12.525 0.955 1.00 0.00 H new ATOM 686 N TYR A 45 -3.204 9.704 -2.556 1.00 0.00 N ATOM 687 CA TYR A 45 -4.111 8.597 -2.795 1.00 0.00 C ATOM 688 C TYR A 45 -3.387 7.270 -2.592 1.00 0.00 C ATOM 689 O TYR A 45 -2.179 7.243 -2.353 1.00 0.00 O ATOM 690 CB TYR A 45 -4.661 8.684 -4.221 1.00 0.00 C ATOM 691 CG TYR A 45 -3.624 8.448 -5.300 1.00 0.00 C ATOM 692 CD1 TYR A 45 -2.581 9.347 -5.502 1.00 0.00 C ATOM 693 CD2 TYR A 45 -3.692 7.329 -6.121 1.00 0.00 C ATOM 694 CE1 TYR A 45 -1.639 9.140 -6.486 1.00 0.00 C ATOM 695 CE2 TYR A 45 -2.751 7.113 -7.109 1.00 0.00 C ATOM 696 CZ TYR A 45 -1.728 8.021 -7.288 1.00 0.00 C ATOM 697 OH TYR A 45 -0.793 7.809 -8.274 1.00 0.00 O ATOM 0 HA TYR A 45 -4.938 8.653 -2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.461 7.953 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.105 9.668 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.509 10.224 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.493 6.617 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.837 9.849 -6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.816 6.238 -7.738 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.999 6.976 -8.747 1.00 0.00 H new ATOM 707 N GLN A 46 -4.129 6.179 -2.705 1.00 0.00 N ATOM 708 CA GLN A 46 -3.587 4.855 -2.509 1.00 0.00 C ATOM 709 C GLN A 46 -3.098 4.265 -3.828 1.00 0.00 C ATOM 710 O GLN A 46 -3.814 4.267 -4.831 1.00 0.00 O ATOM 711 CB GLN A 46 -4.663 3.973 -1.881 1.00 0.00 C ATOM 712 CG GLN A 46 -4.420 2.485 -2.018 1.00 0.00 C ATOM 713 CD GLN A 46 -3.182 1.992 -1.294 1.00 0.00 C ATOM 714 OE1 GLN A 46 -2.094 1.942 -1.857 1.00 0.00 O ATOM 715 NE2 GLN A 46 -3.338 1.611 -0.048 1.00 0.00 N ATOM 0 H GLN A 46 -5.123 6.193 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.727 4.909 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.742 4.218 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.623 4.214 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.289 1.949 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.332 2.238 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.257 1.666 0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.540 1.260 0.482 1.00 0.00 H new ATOM 724 N ARG A 47 -1.876 3.757 -3.805 1.00 0.00 N ATOM 725 CA ARG A 47 -1.253 3.141 -4.969 1.00 0.00 C ATOM 726 C ARG A 47 -0.028 2.348 -4.516 1.00 0.00 C ATOM 727 O ARG A 47 1.110 2.763 -4.739 1.00 0.00 O ATOM 728 CB ARG A 47 -0.833 4.212 -5.981 1.00 0.00 C ATOM 729 CG ARG A 47 -0.860 3.762 -7.441 1.00 0.00 C ATOM 730 CD ARG A 47 -0.014 2.527 -7.703 1.00 0.00 C ATOM 731 NE ARG A 47 -0.781 1.294 -7.508 1.00 0.00 N ATOM 732 CZ ARG A 47 -0.274 0.071 -7.629 1.00 0.00 C ATOM 733 NH1 ARG A 47 1.019 -0.095 -7.866 1.00 0.00 N ATOM 734 NH2 ARG A 47 -1.067 -0.986 -7.501 1.00 0.00 N ATOM 0 H ARG A 47 -1.284 3.760 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.969 2.475 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.490 5.074 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.176 4.546 -5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.890 3.557 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.506 4.577 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.371 2.559 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.848 2.528 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.768 1.379 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.629 0.717 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.404 -1.035 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.061 -0.858 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.682 -1.926 -7.593 1.00 0.00 H new ATOM 748 N ILE A 48 -0.268 1.223 -3.855 1.00 0.00 N ATOM 749 CA ILE A 48 0.812 0.406 -3.319 1.00 0.00 C ATOM 750 C ILE A 48 0.544 -1.077 -3.579 1.00 0.00 C ATOM 751 O ILE A 48 -0.490 -1.601 -3.165 1.00 0.00 O ATOM 752 CB ILE A 48 0.964 0.631 -1.794 1.00 0.00 C ATOM 753 CG1 ILE A 48 1.121 2.124 -1.482 1.00 0.00 C ATOM 754 CG2 ILE A 48 2.157 -0.152 -1.258 1.00 0.00 C ATOM 755 CD1 ILE A 48 0.817 2.482 -0.044 1.00 0.00 C ATOM 0 H ILE A 48 -1.203 0.855 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 48 1.733 0.702 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 48 0.061 0.270 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.141 2.429 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.461 2.694 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.250 0.016 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.009 -1.215 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.066 0.182 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.950 3.554 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.212 2.209 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.494 1.941 0.617 1.00 0.00 H new ATOM 767 N ARG A 49 1.466 -1.751 -4.264 1.00 0.00 N ATOM 768 CA ARG A 49 1.305 -3.176 -4.554 1.00 0.00 C ATOM 769 C ARG A 49 1.399 -4.017 -3.291 1.00 0.00 C ATOM 770 O ARG A 49 2.426 -4.039 -2.616 1.00 0.00 O ATOM 771 CB ARG A 49 2.336 -3.667 -5.576 1.00 0.00 C ATOM 772 CG ARG A 49 2.074 -3.175 -6.986 1.00 0.00 C ATOM 773 CD ARG A 49 2.896 -3.939 -8.011 1.00 0.00 C ATOM 774 NE ARG A 49 2.641 -3.472 -9.375 1.00 0.00 N ATOM 775 CZ ARG A 49 3.377 -3.812 -10.434 1.00 0.00 C ATOM 776 NH1 ARG A 49 4.374 -4.678 -10.313 1.00 0.00 N ATOM 777 NH2 ARG A 49 3.094 -3.300 -11.624 1.00 0.00 N ATOM 0 H ARG A 49 2.326 -1.338 -4.626 1.00 0.00 H new ATOM 0 HA ARG A 49 0.309 -3.294 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.328 -3.340 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.345 -4.757 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.014 -3.281 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.309 -2.113 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.956 -3.828 -7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.665 -5.002 -7.942 1.00 0.00 H new ATOM 0 HE ARG A 49 1.850 -2.846 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.584 -5.090 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.931 -4.932 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.316 -2.649 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.654 -3.557 -12.436 1.00 0.00 H new ATOM 791 N SER A 50 0.304 -4.686 -2.971 1.00 0.00 N ATOM 792 CA SER A 50 0.264 -5.595 -1.839 1.00 0.00 C ATOM 793 C SER A 50 0.090 -7.044 -2.307 1.00 0.00 C ATOM 794 O SER A 50 0.372 -7.360 -3.464 1.00 0.00 O ATOM 795 CB SER A 50 -0.859 -5.170 -0.901 1.00 0.00 C ATOM 796 OG SER A 50 -0.763 -3.782 -0.625 1.00 0.00 O ATOM 0 H SER A 50 -0.575 -4.615 -3.484 1.00 0.00 H new ATOM 0 HA SER A 50 1.210 -5.548 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.825 -5.393 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.803 -5.738 0.027 1.00 0.00 H new ATOM 0 HG SER A 50 -1.140 -3.273 -1.373 1.00 0.00 H new ATOM 802 N ASP A 51 -0.356 -7.911 -1.400 1.00 0.00 N ATOM 803 CA ASP A 51 -0.457 -9.357 -1.656 1.00 0.00 C ATOM 804 C ASP A 51 -1.413 -9.711 -2.801 1.00 0.00 C ATOM 805 O ASP A 51 -1.947 -8.839 -3.484 1.00 0.00 O ATOM 806 CB ASP A 51 -0.903 -10.097 -0.392 1.00 0.00 C ATOM 807 CG ASP A 51 0.107 -10.011 0.732 1.00 0.00 C ATOM 808 OD1 ASP A 51 0.892 -10.969 0.907 1.00 0.00 O ATOM 809 OD2 ASP A 51 0.115 -8.992 1.452 1.00 0.00 O ATOM 0 H ASP A 51 -0.659 -7.637 -0.465 1.00 0.00 H new ATOM 0 HA ASP A 51 0.542 -9.674 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.853 -9.684 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.080 -11.145 -0.635 1.00 0.00 H new ATOM 814 N HIS A 52 -1.643 -11.007 -2.993 1.00 0.00 N ATOM 815 CA HIS A 52 -2.456 -11.483 -4.105 1.00 0.00 C ATOM 816 C HIS A 52 -3.935 -11.110 -3.948 1.00 0.00 C ATOM 817 O HIS A 52 -4.630 -10.914 -4.942 1.00 0.00 O ATOM 818 CB HIS A 52 -2.300 -13.001 -4.274 1.00 0.00 C ATOM 819 CG HIS A 52 -2.922 -13.828 -3.187 1.00 0.00 C ATOM 820 ND1 HIS A 52 -4.130 -14.475 -3.330 1.00 0.00 N ATOM 821 CD2 HIS A 52 -2.488 -14.121 -1.940 1.00 0.00 C ATOM 822 CE1 HIS A 52 -4.412 -15.127 -2.219 1.00 0.00 C ATOM 823 NE2 HIS A 52 -3.431 -14.929 -1.358 1.00 0.00 N ATOM 0 H HIS A 52 -1.277 -11.745 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.093 -10.985 -5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.740 -13.292 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.237 -13.238 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.569 -13.781 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.296 -15.722 -2.043 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.382 -15.314 -0.415 1.00 0.00 H new ATOM 832 N ASP A 53 -4.418 -11.004 -2.709 1.00 0.00 N ATOM 833 CA ASP A 53 -5.826 -10.665 -2.476 1.00 0.00 C ATOM 834 C ASP A 53 -6.069 -9.201 -2.785 1.00 0.00 C ATOM 835 O ASP A 53 -7.207 -8.736 -2.799 1.00 0.00 O ATOM 836 CB ASP A 53 -6.250 -10.925 -1.030 1.00 0.00 C ATOM 837 CG ASP A 53 -5.892 -12.310 -0.540 1.00 0.00 C ATOM 838 OD1 ASP A 53 -6.768 -13.201 -0.563 1.00 0.00 O ATOM 839 OD2 ASP A 53 -4.732 -12.514 -0.127 1.00 0.00 O ATOM 0 H ASP A 53 -3.867 -11.145 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.416 -11.303 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.779 -10.185 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.327 -10.784 -0.944 1.00 0.00 H new ATOM 844 N SER A 54 -4.989 -8.475 -2.997 1.00 0.00 N ATOM 845 CA SER A 54 -5.064 -7.073 -3.322 1.00 0.00 C ATOM 846 C SER A 54 -5.524 -6.869 -4.752 1.00 0.00 C ATOM 847 O SER A 54 -5.322 -7.728 -5.612 1.00 0.00 O ATOM 848 CB SER A 54 -3.710 -6.421 -3.116 1.00 0.00 C ATOM 849 OG SER A 54 -3.452 -6.200 -1.747 1.00 0.00 O ATOM 0 H SER A 54 -4.039 -8.844 -2.948 1.00 0.00 H new ATOM 0 HA SER A 54 -5.794 -6.608 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.930 -7.055 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.675 -5.473 -3.653 1.00 0.00 H new ATOM 0 HG SER A 54 -3.855 -5.350 -1.471 1.00 0.00 H new ATOM 855 N HIS A 55 -6.133 -5.719 -4.988 1.00 0.00 N ATOM 856 CA HIS A 55 -6.664 -5.374 -6.301 1.00 0.00 C ATOM 857 C HIS A 55 -7.291 -3.994 -6.270 1.00 0.00 C ATOM 858 O HIS A 55 -7.341 -3.351 -5.224 1.00 0.00 O ATOM 859 CB HIS A 55 -7.686 -6.399 -6.818 1.00 0.00 C ATOM 860 CG HIS A 55 -8.831 -6.678 -5.893 1.00 0.00 C ATOM 861 ND1 HIS A 55 -10.110 -6.213 -6.106 1.00 0.00 N ATOM 862 CD2 HIS A 55 -8.885 -7.421 -4.768 1.00 0.00 C ATOM 863 CE1 HIS A 55 -10.901 -6.660 -5.148 1.00 0.00 C ATOM 864 NE2 HIS A 55 -10.184 -7.401 -4.321 1.00 0.00 N ATOM 0 H HIS A 55 -6.274 -4.999 -4.279 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.821 -5.382 -6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.085 -6.043 -7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.167 -7.336 -7.021 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.058 -7.937 -4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.957 -6.455 -5.056 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.536 -7.878 -3.491 1.00 0.00 H new ATOM 873 N SER A 56 -7.752 -3.548 -7.418 1.00 0.00 N ATOM 874 CA SER A 56 -8.366 -2.236 -7.538 1.00 0.00 C ATOM 875 C SER A 56 -9.806 -2.248 -7.027 1.00 0.00 C ATOM 876 O SER A 56 -10.557 -3.196 -7.275 1.00 0.00 O ATOM 877 CB SER A 56 -8.321 -1.778 -8.996 1.00 0.00 C ATOM 878 OG SER A 56 -8.804 -2.791 -9.867 1.00 0.00 O ATOM 0 H SER A 56 -7.714 -4.076 -8.290 1.00 0.00 H new ATOM 0 HA SER A 56 -7.803 -1.535 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.921 -0.876 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.298 -1.519 -9.267 1.00 0.00 H new ATOM 0 HG SER A 56 -8.766 -2.472 -10.793 1.00 0.00 H new ATOM 884 N CYS A 57 -10.177 -1.203 -6.303 1.00 0.00 N ATOM 885 CA CYS A 57 -11.547 -1.027 -5.852 1.00 0.00 C ATOM 886 C CYS A 57 -11.940 0.440 -5.966 1.00 0.00 C ATOM 887 O CYS A 57 -11.081 1.297 -6.203 1.00 0.00 O ATOM 888 CB CYS A 57 -11.704 -1.495 -4.409 1.00 0.00 C ATOM 889 SG CYS A 57 -10.608 -0.630 -3.238 1.00 0.00 S ATOM 0 H CYS A 57 -9.542 -0.459 -6.014 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.201 -1.629 -6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.739 -1.350 -4.100 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.503 -2.565 -4.359 1.00 0.00 H new ATOM 894 N ALA A 58 -13.233 0.721 -5.813 1.00 0.00 N ATOM 895 CA ALA A 58 -13.753 2.082 -5.908 1.00 0.00 C ATOM 896 C ALA A 58 -13.394 2.703 -7.254 1.00 0.00 C ATOM 897 O ALA A 58 -13.135 3.905 -7.347 1.00 0.00 O ATOM 898 CB ALA A 58 -13.234 2.938 -4.758 1.00 0.00 C ATOM 0 H ALA A 58 -13.945 0.016 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.840 2.040 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.633 3.948 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.552 2.505 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.145 2.974 -4.794 1.00 0.00 H new ATOM 904 N ASN A 59 -13.369 1.859 -8.287 1.00 0.00 N ATOM 905 CA ASN A 59 -13.008 2.271 -9.648 1.00 0.00 C ATOM 906 C ASN A 59 -11.544 2.689 -9.706 1.00 0.00 C ATOM 907 O ASN A 59 -11.178 3.648 -10.390 1.00 0.00 O ATOM 908 CB ASN A 59 -13.910 3.401 -10.157 1.00 0.00 C ATOM 909 CG ASN A 59 -15.353 2.968 -10.320 1.00 0.00 C ATOM 910 OD1 ASN A 59 -16.163 3.100 -9.400 1.00 0.00 O ATOM 911 ND2 ASN A 59 -15.686 2.446 -11.489 1.00 0.00 N ATOM 0 H ASN A 59 -13.599 0.869 -8.205 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.156 1.413 -10.303 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.863 4.239 -9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.532 3.759 -11.115 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.643 2.135 -11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.985 2.354 -12.225 1.00 0.00 H new ATOM 918 N ASN A 60 -10.719 1.947 -8.973 1.00 0.00 N ATOM 919 CA ASN A 60 -9.280 2.193 -8.883 1.00 0.00 C ATOM 920 C ASN A 60 -9.000 3.573 -8.290 1.00 0.00 C ATOM 921 O ASN A 60 -8.021 4.235 -8.629 1.00 0.00 O ATOM 922 CB ASN A 60 -8.598 2.024 -10.247 1.00 0.00 C ATOM 923 CG ASN A 60 -7.076 2.019 -10.161 1.00 0.00 C ATOM 924 OD1 ASN A 60 -6.395 2.421 -11.103 1.00 0.00 O ATOM 925 ND2 ASN A 60 -6.528 1.578 -9.034 1.00 0.00 N ATOM 0 H ASN A 60 -11.032 1.150 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.855 1.447 -8.212 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.933 1.091 -10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.916 2.831 -10.907 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.513 1.566 -8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.122 1.251 -8.272 1.00 0.00 H new ATOM 932 N ARG A 61 -9.881 4.004 -7.404 1.00 0.00 N ATOM 933 CA ARG A 61 -9.623 5.181 -6.594 1.00 0.00 C ATOM 934 C ARG A 61 -9.018 4.739 -5.275 1.00 0.00 C ATOM 935 O ARG A 61 -8.575 5.548 -4.467 1.00 0.00 O ATOM 936 CB ARG A 61 -10.902 5.986 -6.363 1.00 0.00 C ATOM 937 CG ARG A 61 -11.415 6.676 -7.615 1.00 0.00 C ATOM 938 CD ARG A 61 -12.668 7.485 -7.333 1.00 0.00 C ATOM 939 NE ARG A 61 -13.818 6.636 -7.018 1.00 0.00 N ATOM 940 CZ ARG A 61 -14.997 7.105 -6.604 1.00 0.00 C ATOM 941 NH1 ARG A 61 -15.164 8.410 -6.402 1.00 0.00 N ATOM 942 NH2 ARG A 61 -16.004 6.268 -6.377 1.00 0.00 N ATOM 0 H ARG A 61 -10.781 3.557 -7.228 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.925 5.834 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.677 5.321 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.717 6.736 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.640 7.331 -8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.627 5.930 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.480 8.163 -6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.902 8.103 -8.200 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.712 5.627 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.390 9.054 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.066 8.766 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.876 5.266 -6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.905 6.628 -6.061 1.00 0.00 H new ATOM 956 N GLY A 62 -9.011 3.430 -5.081 1.00 0.00 N ATOM 957 CA GLY A 62 -8.391 2.838 -3.924 1.00 0.00 C ATOM 958 C GLY A 62 -7.856 1.460 -4.244 1.00 0.00 C ATOM 959 O GLY A 62 -8.338 0.798 -5.170 1.00 0.00 O ATOM 0 H GLY A 62 -9.434 2.758 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.579 3.476 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.115 2.772 -3.112 1.00 0.00 H new ATOM 963 N TRP A 63 -6.844 1.045 -3.513 1.00 0.00 N ATOM 964 CA TRP A 63 -6.280 -0.288 -3.672 1.00 0.00 C ATOM 965 C TRP A 63 -6.614 -1.151 -2.455 1.00 0.00 C ATOM 966 O TRP A 63 -6.443 -0.723 -1.313 1.00 0.00 O ATOM 967 CB TRP A 63 -4.760 -0.201 -3.879 1.00 0.00 C ATOM 968 CG TRP A 63 -4.097 -1.520 -4.080 1.00 0.00 C ATOM 969 CD1 TRP A 63 -3.458 -2.251 -3.131 1.00 0.00 C ATOM 970 CD2 TRP A 63 -3.996 -2.257 -5.299 1.00 0.00 C ATOM 971 NE1 TRP A 63 -2.969 -3.406 -3.673 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.284 -3.437 -5.010 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.440 -2.039 -6.603 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.008 -4.393 -5.984 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.168 -2.985 -7.566 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.457 -4.150 -7.254 1.00 0.00 C ATOM 0 H TRP A 63 -6.389 1.612 -2.797 1.00 0.00 H new ATOM 0 HA TRP A 63 -6.719 -0.755 -4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.557 0.431 -4.744 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.314 0.290 -3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -3.351 -1.961 -2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.454 -4.127 -3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -4.988 -1.143 -6.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -2.460 -5.293 -5.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.509 -2.826 -8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.259 -4.872 -8.032 1.00 0.00 H new ATOM 987 N CYS A 64 -7.115 -2.353 -2.717 1.00 0.00 N ATOM 988 CA CYS A 64 -7.436 -3.310 -1.664 1.00 0.00 C ATOM 989 C CYS A 64 -6.185 -3.761 -0.947 1.00 0.00 C ATOM 990 O CYS A 64 -5.299 -4.353 -1.563 1.00 0.00 O ATOM 991 CB CYS A 64 -8.136 -4.533 -2.245 1.00 0.00 C ATOM 992 SG CYS A 64 -9.732 -4.170 -3.040 1.00 0.00 S ATOM 0 H CYS A 64 -7.309 -2.690 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.098 -2.810 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.477 -5.002 -2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.296 -5.259 -1.448 1.00 0.00 H new ATOM 997 N ARG A 65 -6.130 -3.489 0.349 1.00 0.00 N ATOM 998 CA ARG A 65 -5.010 -3.893 1.183 1.00 0.00 C ATOM 999 C ARG A 65 -5.516 -4.582 2.446 1.00 0.00 C ATOM 1000 O ARG A 65 -6.706 -4.507 2.756 1.00 0.00 O ATOM 1001 CB ARG A 65 -4.154 -2.682 1.561 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.203 -2.239 0.470 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.217 -1.198 0.983 1.00 0.00 C ATOM 1004 NE ARG A 65 -1.854 -1.416 2.384 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.886 -2.232 2.803 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.239 -3.014 1.948 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.587 -2.286 4.095 1.00 0.00 N ATOM 0 H ARG A 65 -6.860 -2.983 0.850 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.395 -4.592 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.811 -1.851 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.579 -2.921 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.658 -3.102 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.770 -1.826 -0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.316 -1.221 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.652 -0.205 0.874 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.381 -0.906 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.480 -2.996 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.499 -3.633 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.097 -1.705 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.152 -2.908 4.422 1.00 0.00 H new ATOM 1021 N PRO A 66 -4.633 -5.283 3.180 1.00 0.00 N ATOM 1022 CA PRO A 66 -4.999 -5.904 4.450 1.00 0.00 C ATOM 1023 C PRO A 66 -5.117 -4.864 5.563 1.00 0.00 C ATOM 1024 O PRO A 66 -5.875 -5.037 6.518 1.00 0.00 O ATOM 1025 CB PRO A 66 -3.851 -6.883 4.742 1.00 0.00 C ATOM 1026 CG PRO A 66 -2.928 -6.820 3.565 1.00 0.00 C ATOM 1027 CD PRO A 66 -3.229 -5.542 2.837 1.00 0.00 C ATOM 0 HA PRO A 66 -5.969 -6.398 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.330 -6.607 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.231 -7.895 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.888 -6.843 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.077 -7.680 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.579 -4.730 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.091 -5.649 1.761 1.00 0.00 H new ATOM 1035 N THR A 67 -4.356 -3.784 5.430 1.00 0.00 N ATOM 1036 CA THR A 67 -4.399 -2.685 6.380 1.00 0.00 C ATOM 1037 C THR A 67 -4.138 -1.371 5.651 1.00 0.00 C ATOM 1038 O THR A 67 -3.373 -1.335 4.686 1.00 0.00 O ATOM 1039 CB THR A 67 -3.346 -2.855 7.493 1.00 0.00 C ATOM 1040 OG1 THR A 67 -3.232 -4.235 7.868 1.00 0.00 O ATOM 1041 CG2 THR A 67 -3.720 -2.030 8.716 1.00 0.00 C ATOM 0 H THR A 67 -3.696 -3.648 4.664 1.00 0.00 H new ATOM 0 HA THR A 67 -5.388 -2.679 6.838 1.00 0.00 H new ATOM 0 HB THR A 67 -2.389 -2.506 7.106 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.559 -4.328 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.964 -2.164 9.490 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.776 -0.977 8.441 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.688 -2.358 9.094 1.00 0.00 H new ATOM 1049 N CYS A 68 -4.761 -0.302 6.109 1.00 0.00 N ATOM 1050 CA CYS A 68 -4.648 0.991 5.448 1.00 0.00 C ATOM 1051 C CYS A 68 -3.641 1.894 6.156 1.00 0.00 C ATOM 1052 O CYS A 68 -3.419 1.772 7.362 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.023 1.655 5.397 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.231 0.745 4.377 1.00 0.00 S ATOM 0 H CYS A 68 -5.354 -0.300 6.939 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.283 0.832 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.411 1.747 6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.915 2.666 5.004 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.011 2.772 5.386 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.049 3.731 5.926 1.00 0.00 C ATOM 1061 C PHE A 69 -2.723 5.065 6.223 1.00 0.00 C ATOM 1062 O PHE A 69 -3.833 5.329 5.763 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.906 3.964 4.938 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.108 2.738 4.626 1.00 0.00 C ATOM 1065 CD1 PHE A 69 -0.286 2.068 3.429 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.828 2.259 5.526 1.00 0.00 C ATOM 1067 CE1 PHE A 69 0.454 0.942 3.136 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.569 1.134 5.240 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.383 0.473 4.041 1.00 0.00 C ATOM 0 H PHE A 69 -3.149 2.842 4.378 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.652 3.312 6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.317 4.362 4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.239 4.725 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.012 2.431 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.979 2.773 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.306 0.427 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.294 0.769 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.964 -0.409 3.813 1.00 0.00 H new ATOM 1079 N SER A 70 -2.030 5.914 6.964 1.00 0.00 N ATOM 1080 CA SER A 70 -2.564 7.217 7.341 1.00 0.00 C ATOM 1081 C SER A 70 -2.456 8.189 6.165 1.00 0.00 C ATOM 1082 O SER A 70 -1.449 8.888 6.024 1.00 0.00 O ATOM 1083 CB SER A 70 -1.810 7.758 8.560 1.00 0.00 C ATOM 1084 OG SER A 70 -2.455 8.899 9.101 1.00 0.00 O ATOM 0 H SER A 70 -1.092 5.725 7.319 1.00 0.00 H new ATOM 0 HA SER A 70 -3.616 7.110 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.741 6.981 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.790 8.016 8.274 1.00 0.00 H new ATOM 0 HG SER A 70 -1.952 9.221 9.878 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.518 8.234 5.350 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.557 8.970 4.080 1.00 0.00 C ATOM 1092 C HIS A 71 -4.637 8.323 3.231 1.00 0.00 C ATOM 1093 O HIS A 71 -5.051 8.841 2.197 1.00 0.00 O ATOM 1094 CB HIS A 71 -2.202 8.981 3.325 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.823 7.704 2.624 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.970 7.671 1.546 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.185 6.423 2.842 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.833 6.427 1.134 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.562 5.644 1.901 1.00 0.00 N ATOM 0 H HIS A 71 -4.391 7.750 5.559 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.772 10.018 4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.227 9.783 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.415 9.228 4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.848 6.073 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.223 6.103 0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.649 4.632 1.811 1.00 0.00 H new ATOM 1108 N GLU A 72 -5.052 7.149 3.693 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.181 6.432 3.144 1.00 0.00 C ATOM 1110 C GLU A 72 -7.032 5.911 4.302 1.00 0.00 C ATOM 1111 O GLU A 72 -6.599 5.945 5.455 1.00 0.00 O ATOM 1112 CB GLU A 72 -5.683 5.278 2.279 1.00 0.00 C ATOM 1113 CG GLU A 72 -4.951 4.225 3.084 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.894 3.497 2.293 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.452 4.030 1.260 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.476 2.407 2.729 1.00 0.00 O ATOM 0 H GLU A 72 -4.602 6.667 4.471 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.784 7.091 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.530 4.818 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.019 5.667 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.486 4.697 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.672 3.502 3.465 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.230 5.446 4.008 1.00 0.00 N ATOM 1124 CA TYR A 73 -9.115 4.914 5.032 1.00 0.00 C ATOM 1125 C TYR A 73 -9.801 3.660 4.532 1.00 0.00 C ATOM 1126 O TYR A 73 -9.781 3.363 3.338 1.00 0.00 O ATOM 1127 CB TYR A 73 -10.174 5.947 5.430 1.00 0.00 C ATOM 1128 CG TYR A 73 -10.997 6.447 4.268 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -12.127 5.761 3.839 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -10.628 7.598 3.592 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -12.869 6.209 2.766 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -11.363 8.057 2.517 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.482 7.357 2.106 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.219 7.811 1.040 1.00 0.00 O ATOM 0 H TYR A 73 -8.617 5.425 3.064 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.510 4.675 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.839 5.506 6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.682 6.794 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.429 4.862 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.753 8.145 3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -13.746 5.666 2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.065 8.958 2.000 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.814 8.631 0.687 1.00 0.00 H new ATOM 1144 N THR A 74 -10.419 2.951 5.454 1.00 0.00 N ATOM 1145 CA THR A 74 -11.136 1.739 5.139 1.00 0.00 C ATOM 1146 C THR A 74 -12.525 2.060 4.601 1.00 0.00 C ATOM 1147 O THR A 74 -13.430 2.403 5.364 1.00 0.00 O ATOM 1148 CB THR A 74 -11.271 0.850 6.389 1.00 0.00 C ATOM 1149 OG1 THR A 74 -9.973 0.563 6.930 1.00 0.00 O ATOM 1150 CG2 THR A 74 -11.995 -0.444 6.062 1.00 0.00 C ATOM 0 H THR A 74 -10.437 3.201 6.443 1.00 0.00 H new ATOM 0 HA THR A 74 -10.570 1.205 4.376 1.00 0.00 H new ATOM 0 HB THR A 74 -11.859 1.391 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.068 -0.001 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.077 -1.053 6.962 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.993 -0.218 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.436 -0.992 5.303 1.00 0.00 H new ATOM 1158 N ASP A 75 -12.685 1.984 3.291 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.000 2.111 2.694 1.00 0.00 C ATOM 1160 C ASP A 75 -14.703 0.769 2.808 1.00 0.00 C ATOM 1161 O ASP A 75 -14.380 -0.179 2.084 1.00 0.00 O ATOM 1162 CB ASP A 75 -13.914 2.554 1.230 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.275 2.870 0.641 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -15.972 1.936 0.203 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.652 4.064 0.607 1.00 0.00 O ATOM 0 H ASP A 75 -11.926 1.836 2.626 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.564 2.879 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.276 3.435 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.441 1.767 0.642 1.00 0.00 H new ATOM 1170 N TRP A 76 -15.641 0.699 3.746 1.00 0.00 N ATOM 1171 CA TRP A 76 -16.296 -0.551 4.109 1.00 0.00 C ATOM 1172 C TRP A 76 -17.253 -1.025 3.024 1.00 0.00 C ATOM 1173 O TRP A 76 -17.575 -2.213 2.949 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.036 -0.385 5.436 1.00 0.00 C ATOM 1175 CG TRP A 76 -16.113 -0.184 6.597 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -15.742 1.002 7.160 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -15.433 -1.207 7.329 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -14.873 0.778 8.200 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -14.669 -0.571 8.324 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -15.398 -2.598 7.238 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -13.879 -1.283 9.221 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -14.615 -3.304 8.127 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -13.864 -2.648 9.108 1.00 0.00 C ATOM 0 H TRP A 76 -15.968 1.507 4.276 1.00 0.00 H new ATOM 0 HA TRP A 76 -15.524 -1.313 4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -17.713 0.467 5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -17.651 -1.267 5.616 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.082 1.974 6.836 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.449 1.498 8.784 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -15.974 -3.114 6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -13.299 -0.778 9.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.581 -4.382 8.065 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -13.261 -3.229 9.790 1.00 0.00 H new ATOM 1194 N PHE A 77 -17.697 -0.110 2.179 1.00 0.00 N ATOM 1195 CA PHE A 77 -18.567 -0.480 1.074 1.00 0.00 C ATOM 1196 C PHE A 77 -17.769 -1.261 0.038 1.00 0.00 C ATOM 1197 O PHE A 77 -18.176 -2.335 -0.419 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.199 0.757 0.436 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.079 0.432 -0.735 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -21.308 -0.180 -0.546 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -19.675 0.730 -2.025 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -22.116 -0.489 -1.624 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -20.480 0.426 -3.105 1.00 0.00 C ATOM 1204 CZ PHE A 77 -21.702 -0.186 -2.904 1.00 0.00 C ATOM 0 H PHE A 77 -17.473 0.884 2.235 1.00 0.00 H new ATOM 0 HA PHE A 77 -19.372 -1.106 1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.785 1.286 1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.409 1.435 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -21.638 -0.418 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.719 1.206 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -23.071 -0.967 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.154 0.667 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.332 -0.427 -3.748 1.00 0.00 H new ATOM 1214 N ASN A 78 -16.612 -0.733 -0.313 1.00 0.00 N ATOM 1215 CA ASN A 78 -15.742 -1.411 -1.250 1.00 0.00 C ATOM 1216 C ASN A 78 -15.009 -2.561 -0.570 1.00 0.00 C ATOM 1217 O ASN A 78 -14.414 -3.397 -1.235 1.00 0.00 O ATOM 1218 CB ASN A 78 -14.763 -0.437 -1.897 1.00 0.00 C ATOM 1219 CG ASN A 78 -15.428 0.466 -2.914 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -15.521 0.128 -4.094 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -15.894 1.621 -2.468 1.00 0.00 N ATOM 0 H ASN A 78 -16.256 0.157 0.035 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.361 -1.829 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.299 0.174 -1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.964 -0.998 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.350 2.269 -3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.797 1.864 -1.482 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.056 -2.614 0.761 1.00 0.00 N ATOM 1229 CA ASN A 79 -14.615 -3.811 1.479 1.00 0.00 C ATOM 1230 C ASN A 79 -15.404 -5.009 0.985 1.00 0.00 C ATOM 1231 O ASN A 79 -14.872 -6.106 0.839 1.00 0.00 O ATOM 1232 CB ASN A 79 -14.806 -3.683 2.993 1.00 0.00 C ATOM 1233 CG ASN A 79 -13.654 -3.003 3.690 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -12.981 -2.147 3.128 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -13.417 -3.385 4.929 1.00 0.00 N ATOM 0 H ASN A 79 -15.389 -1.856 1.356 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.550 -3.937 1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.721 -3.123 3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -14.942 -4.677 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.651 -2.965 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.000 -4.101 5.362 1.00 0.00 H new ATOM 1242 N ASP A 80 -16.682 -4.773 0.707 1.00 0.00 N ATOM 1243 CA ASP A 80 -17.562 -5.805 0.178 1.00 0.00 C ATOM 1244 C ASP A 80 -17.085 -6.264 -1.196 1.00 0.00 C ATOM 1245 O ASP A 80 -17.097 -7.457 -1.498 1.00 0.00 O ATOM 1246 CB ASP A 80 -18.997 -5.277 0.093 1.00 0.00 C ATOM 1247 CG ASP A 80 -19.970 -6.292 -0.477 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -20.130 -6.338 -1.715 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.594 -7.029 0.313 1.00 0.00 O ATOM 0 H ASP A 80 -17.133 -3.868 0.841 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.539 -6.661 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.329 -4.983 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.012 -4.380 -0.526 1.00 0.00 H new ATOM 1254 N VAL A 81 -16.644 -5.318 -2.025 1.00 0.00 N ATOM 1255 CA VAL A 81 -16.152 -5.660 -3.359 1.00 0.00 C ATOM 1256 C VAL A 81 -14.755 -6.280 -3.278 1.00 0.00 C ATOM 1257 O VAL A 81 -14.310 -6.966 -4.197 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.124 -4.437 -4.314 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -17.361 -3.573 -4.136 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -14.861 -3.605 -4.149 1.00 0.00 C ATOM 0 H VAL A 81 -16.617 -4.323 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.852 -6.387 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.122 -4.833 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.313 -2.724 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.251 -4.163 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.407 -3.211 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.888 -2.761 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.800 -3.235 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.988 -4.222 -4.365 1.00 0.00 H new ATOM 1270 N CYS A 82 -14.071 -6.029 -2.171 1.00 0.00 N ATOM 1271 CA CYS A 82 -12.739 -6.573 -1.947 1.00 0.00 C ATOM 1272 C CYS A 82 -12.801 -7.949 -1.294 1.00 0.00 C ATOM 1273 O CYS A 82 -11.844 -8.721 -1.367 1.00 0.00 O ATOM 1274 CB CYS A 82 -11.916 -5.625 -1.078 1.00 0.00 C ATOM 1275 SG CYS A 82 -11.525 -4.035 -1.878 1.00 0.00 S ATOM 0 H CYS A 82 -14.420 -5.448 -1.409 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.259 -6.679 -2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -12.461 -5.431 -0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.985 -6.119 -0.801 1.00 0.00 H new ATOM 1280 N GLY A 83 -13.920 -8.243 -0.647 1.00 0.00 N ATOM 1281 CA GLY A 83 -14.104 -9.539 -0.026 1.00 0.00 C ATOM 1282 C GLY A 83 -13.277 -9.699 1.234 1.00 0.00 C ATOM 1283 O GLY A 83 -13.721 -9.348 2.326 1.00 0.00 O ATOM 0 H GLY A 83 -14.707 -7.603 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.158 -9.677 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.834 -10.321 -0.736 1.00 0.00 H new ATOM 1287 N SER A 84 -12.064 -10.212 1.078 1.00 0.00 N ATOM 1288 CA SER A 84 -11.182 -10.453 2.210 1.00 0.00 C ATOM 1289 C SER A 84 -10.522 -9.154 2.662 1.00 0.00 C ATOM 1290 O SER A 84 -10.415 -8.875 3.854 1.00 0.00 O ATOM 1291 CB SER A 84 -10.109 -11.467 1.817 1.00 0.00 C ATOM 1292 OG SER A 84 -10.666 -12.532 1.063 1.00 0.00 O ATOM 0 H SER A 84 -11.668 -10.470 0.174 1.00 0.00 H new ATOM 0 HA SER A 84 -11.773 -10.848 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.332 -10.972 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.632 -11.862 2.714 1.00 0.00 H new ATOM 0 HG SER A 84 -9.959 -13.167 0.822 1.00 0.00 H new ATOM 1298 N TYR A 85 -10.086 -8.362 1.694 1.00 0.00 N ATOM 1299 CA TYR A 85 -9.366 -7.130 1.978 1.00 0.00 C ATOM 1300 C TYR A 85 -10.295 -5.951 2.179 1.00 0.00 C ATOM 1301 O TYR A 85 -11.503 -6.032 1.944 1.00 0.00 O ATOM 1302 CB TYR A 85 -8.393 -6.822 0.846 1.00 0.00 C ATOM 1303 CG TYR A 85 -7.060 -7.512 0.988 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -6.033 -7.245 0.099 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -6.816 -8.414 2.019 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -4.811 -7.851 0.226 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -5.590 -9.027 2.151 1.00 0.00 C ATOM 1308 CZ TYR A 85 -4.589 -8.742 1.252 1.00 0.00 C ATOM 1309 OH TYR A 85 -3.367 -9.354 1.383 1.00 0.00 O ATOM 0 H TYR A 85 -10.219 -8.552 0.701 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.822 -7.285 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.846 -7.117 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.232 -5.745 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.198 -6.547 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.601 -8.637 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.022 -7.630 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.416 -9.727 2.955 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.382 -9.951 2.160 1.00 0.00 H new ATOM 1319 N ARG A 86 -9.706 -4.855 2.618 1.00 0.00 N ATOM 1320 CA ARG A 86 -10.428 -3.620 2.822 1.00 0.00 C ATOM 1321 C ARG A 86 -10.037 -2.621 1.745 1.00 0.00 C ATOM 1322 O ARG A 86 -8.915 -2.671 1.228 1.00 0.00 O ATOM 1323 CB ARG A 86 -10.124 -3.058 4.213 1.00 0.00 C ATOM 1324 CG ARG A 86 -8.662 -2.713 4.442 1.00 0.00 C ATOM 1325 CD ARG A 86 -8.408 -2.304 5.882 1.00 0.00 C ATOM 1326 NE ARG A 86 -8.733 -3.380 6.816 1.00 0.00 N ATOM 1327 CZ ARG A 86 -8.897 -3.211 8.126 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -8.750 -2.009 8.672 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -9.208 -4.249 8.892 1.00 0.00 N ATOM 0 H ARG A 86 -8.713 -4.799 2.843 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.499 -3.810 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.725 -2.163 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.435 -3.786 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.040 -3.572 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.369 -1.902 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.362 -2.023 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.004 -1.423 6.120 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.841 -4.322 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.510 -1.209 8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.877 -1.886 9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.321 -5.174 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.334 -4.122 9.896 1.00 0.00 H new ATOM 1343 N CYS A 87 -10.947 -1.725 1.391 1.00 0.00 N ATOM 1344 CA CYS A 87 -10.662 -0.774 0.340 1.00 0.00 C ATOM 1345 C CYS A 87 -10.021 0.470 0.915 1.00 0.00 C ATOM 1346 O CYS A 87 -10.651 1.216 1.663 1.00 0.00 O ATOM 1347 CB CYS A 87 -11.931 -0.396 -0.404 1.00 0.00 C ATOM 1348 SG CYS A 87 -11.640 0.700 -1.835 1.00 0.00 S ATOM 0 H CYS A 87 -11.873 -1.641 1.811 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.971 -1.243 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -12.425 -1.305 -0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -12.615 0.097 0.287 1.00 0.00 H new ATOM 1353 N CYS A 88 -8.768 0.684 0.576 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.047 1.839 1.059 1.00 0.00 C ATOM 1355 C CYS A 88 -8.263 3.028 0.132 1.00 0.00 C ATOM 1356 O CYS A 88 -7.604 3.168 -0.898 1.00 0.00 O ATOM 1357 CB CYS A 88 -6.569 1.501 1.203 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.246 0.211 2.452 1.00 0.00 S ATOM 0 H CYS A 88 -8.227 0.071 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.429 2.118 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.183 1.169 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.021 2.404 1.472 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.220 3.865 0.507 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.557 5.063 -0.251 1.00 0.00 C ATOM 1365 C ARG A 89 -8.849 6.276 0.348 1.00 0.00 C ATOM 1366 O ARG A 89 -8.711 6.370 1.562 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.072 5.279 -0.245 1.00 0.00 C ATOM 1368 CG ARG A 89 -11.822 4.491 -1.301 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.702 5.146 -2.664 1.00 0.00 C ATOM 1370 NE ARG A 89 -12.178 6.530 -2.647 1.00 0.00 N ATOM 1371 CZ ARG A 89 -13.370 6.924 -3.099 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -14.257 6.029 -3.519 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -13.682 8.214 -3.107 1.00 0.00 N ATOM 0 H ARG A 89 -9.785 3.733 1.346 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.225 4.935 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.461 5.009 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.276 6.340 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.430 3.475 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.873 4.414 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.661 5.124 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.275 4.574 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.556 7.242 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.028 5.035 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.167 6.336 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.011 8.903 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.593 8.516 -3.452 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.406 7.219 -0.498 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.612 8.387 -0.075 1.00 0.00 C ATOM 1389 C PRO A 90 -8.327 9.258 0.951 1.00 0.00 C ATOM 1390 O PRO A 90 -9.417 9.777 0.693 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.412 9.172 -1.374 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.592 8.162 -2.452 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.646 7.229 -1.946 1.00 0.00 C ATOM 0 HA PRO A 90 -6.687 8.079 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.136 9.982 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.421 9.625 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.899 8.633 -3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.661 7.632 -2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.648 7.583 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.546 6.234 -2.379 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.697 9.430 2.102 1.00 0.00 N ATOM 1402 CA GLY A 91 -8.279 10.225 3.153 1.00 0.00 C ATOM 1403 C GLY A 91 -8.017 9.646 4.529 1.00 0.00 C ATOM 1404 O GLY A 91 -6.929 9.117 4.810 1.00 0.00 O ATOM 0 H GLY A 91 -6.786 9.028 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.876 11.237 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.354 10.302 2.993 1.00 0.00 H new ATOM 1408 N ARG A 92 -9.017 9.762 5.387 1.00 0.00 N ATOM 1409 CA ARG A 92 -8.972 9.179 6.715 1.00 0.00 C ATOM 1410 C ARG A 92 -10.355 9.250 7.342 1.00 0.00 C ATOM 1411 O ARG A 92 -10.527 9.681 8.482 1.00 0.00 O ATOM 1412 CB ARG A 92 -7.963 9.909 7.581 1.00 0.00 C ATOM 1413 CG ARG A 92 -7.571 9.139 8.831 1.00 0.00 C ATOM 1414 CD ARG A 92 -6.784 10.007 9.794 1.00 0.00 C ATOM 1415 NE ARG A 92 -7.563 11.159 10.246 1.00 0.00 N ATOM 1416 CZ ARG A 92 -7.122 12.065 11.115 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -5.913 11.945 11.648 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -7.893 13.088 11.453 1.00 0.00 N ATOM 0 H ARG A 92 -9.882 10.263 5.182 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.663 8.137 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.068 10.111 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.377 10.874 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.468 8.765 9.326 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.975 8.270 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.481 9.412 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.871 10.353 9.309 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.504 11.275 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.319 11.157 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.578 12.641 12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.824 13.181 11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.555 13.783 12.119 1.00 0.00 H new