USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 676 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 27 MET CE :methyl 172:sc=-0.00561 (180deg=-0.118) USER MOD Set 1.2: A 88 GLN : amide:sc= 0 K(o=-0.0056,f=-0.53) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 120:sc= 0.92 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.66) USER MOD Single : A 19 ASN : amide:sc= -0.541 K(o=-0.54,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 70:sc= -1.55 USER MOD Single : A 23 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.1) USER MOD Single : A 24 SER OG : rot 39:sc= -0.0421 USER MOD Single : A 25 MET CE :methyl 155:sc= -0.296 (180deg=-1.09) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0.856 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0382 (180deg=-0.292) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= 1.21 (180deg=0.115) USER MOD Single : A 37 THR OG1 : rot -41:sc= 0.402 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.99! K(o=-3!,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 45 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.8!) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -79:sc= 1.39 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.45 K(o=-0.45,f=0.096) USER MOD Single : A 65 TYR OH : rot -12:sc= -3.41! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc=-0.00676 K(o=-0.0068,f=-0.94) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -34:sc= 1.3 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 92 HIS : no HE2:sc= 0.0942 K(o=0.094,f=-2) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.775 2.144 -11.370 1.00 0.00 N ATOM 112 CA ASP A 8 -14.894 1.692 -10.309 1.00 0.00 C ATOM 113 C ASP A 8 -13.448 1.648 -10.795 1.00 0.00 C ATOM 114 O ASP A 8 -12.981 0.616 -11.288 1.00 0.00 O ATOM 115 CB ASP A 8 -15.327 0.298 -9.828 1.00 0.00 C ATOM 116 CG ASP A 8 -16.748 0.253 -9.276 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.691 0.678 -9.978 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.932 -0.246 -8.143 1.00 0.00 O ATOM 0 HA ASP A 8 -14.960 2.396 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.247 -0.404 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.636 -0.041 -9.056 1.00 0.00 H new ATOM 123 N PRO A 9 -12.717 2.769 -10.691 1.00 0.00 N ATOM 124 CA PRO A 9 -11.334 2.846 -11.149 1.00 0.00 C ATOM 125 C PRO A 9 -10.405 1.989 -10.302 1.00 0.00 C ATOM 126 O PRO A 9 -10.370 2.103 -9.071 1.00 0.00 O ATOM 127 CB PRO A 9 -10.970 4.329 -11.006 1.00 0.00 C ATOM 128 CG PRO A 9 -12.266 5.037 -10.805 1.00 0.00 C ATOM 129 CD PRO A 9 -13.165 4.051 -10.124 1.00 0.00 C ATOM 0 HA PRO A 9 -11.228 2.475 -12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.300 4.489 -10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.456 4.695 -11.895 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.133 5.931 -10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.688 5.359 -11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.050 4.078 -9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.216 4.245 -10.338 1.00 0.00 H new ATOM 137 N THR A 10 -9.666 1.118 -10.964 1.00 0.00 N ATOM 138 CA THR A 10 -8.698 0.276 -10.294 1.00 0.00 C ATOM 139 C THR A 10 -7.342 0.974 -10.268 1.00 0.00 C ATOM 140 O THR A 10 -6.751 1.241 -11.319 1.00 0.00 O ATOM 141 CB THR A 10 -8.587 -1.087 -10.996 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.896 -1.662 -11.122 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.689 -2.030 -10.213 1.00 0.00 C ATOM 0 H THR A 10 -9.720 0.976 -11.973 1.00 0.00 H new ATOM 0 HA THR A 10 -9.030 0.103 -9.270 1.00 0.00 H new ATOM 0 HB THR A 10 -8.148 -0.937 -11.982 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.830 -2.531 -11.571 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.627 -2.987 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.692 -1.597 -10.129 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.103 -2.183 -9.216 1.00 0.00 H new ATOM 151 N LEU A 11 -6.864 1.282 -9.073 1.00 0.00 N ATOM 152 CA LEU A 11 -5.654 2.070 -8.920 1.00 0.00 C ATOM 153 C LEU A 11 -4.506 1.223 -8.412 1.00 0.00 C ATOM 154 O LEU A 11 -4.649 0.465 -7.452 1.00 0.00 O ATOM 155 CB LEU A 11 -5.895 3.237 -7.968 1.00 0.00 C ATOM 156 CG LEU A 11 -7.005 4.193 -8.396 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.208 5.278 -7.351 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.692 4.805 -9.752 1.00 0.00 C ATOM 0 H LEU A 11 -7.297 0.997 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.386 2.458 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.137 2.840 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.968 3.801 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.931 3.625 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.003 5.950 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.483 4.821 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.284 5.842 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.495 5.483 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.754 5.357 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.602 4.014 -10.496 1.00 0.00 H new ATOM 170 N THR A 12 -3.377 1.356 -9.074 1.00 0.00 N ATOM 171 CA THR A 12 -2.166 0.665 -8.676 1.00 0.00 C ATOM 172 C THR A 12 -1.217 1.640 -7.986 1.00 0.00 C ATOM 173 O THR A 12 -0.522 2.417 -8.643 1.00 0.00 O ATOM 174 CB THR A 12 -1.469 0.033 -9.897 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.447 -0.608 -10.732 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.427 -0.988 -9.459 1.00 0.00 C ATOM 0 H THR A 12 -3.271 1.944 -9.901 1.00 0.00 H new ATOM 0 HA THR A 12 -2.436 -0.132 -7.983 1.00 0.00 H new ATOM 0 HB THR A 12 -0.967 0.823 -10.455 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.435 -0.199 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.051 -1.420 -10.338 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.325 -0.498 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.911 -1.778 -8.884 1.00 0.00 H new ATOM 184 N LEU A 13 -1.216 1.616 -6.661 1.00 0.00 N ATOM 185 CA LEU A 13 -0.405 2.540 -5.881 1.00 0.00 C ATOM 186 C LEU A 13 0.787 1.809 -5.281 1.00 0.00 C ATOM 187 O LEU A 13 0.640 0.713 -4.745 1.00 0.00 O ATOM 188 CB LEU A 13 -1.241 3.173 -4.765 1.00 0.00 C ATOM 189 CG LEU A 13 -2.525 3.872 -5.224 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.278 4.438 -4.030 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.212 4.972 -6.226 1.00 0.00 C ATOM 0 H LEU A 13 -1.769 0.966 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.046 3.329 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.506 2.397 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.622 3.898 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.159 3.134 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.187 4.931 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.540 3.629 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.648 5.160 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.138 5.454 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.557 5.710 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.716 4.541 -7.096 1.00 0.00 H new ATOM 203 N SER A 14 1.964 2.402 -5.380 1.00 0.00 N ATOM 204 CA SER A 14 3.167 1.781 -4.851 1.00 0.00 C ATOM 205 C SER A 14 3.185 1.849 -3.326 1.00 0.00 C ATOM 206 O SER A 14 2.740 2.836 -2.732 1.00 0.00 O ATOM 207 CB SER A 14 4.403 2.465 -5.431 1.00 0.00 C ATOM 208 OG SER A 14 4.330 2.523 -6.848 1.00 0.00 O ATOM 0 H SER A 14 2.113 3.310 -5.820 1.00 0.00 H new ATOM 0 HA SER A 14 3.174 0.731 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.490 3.473 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.299 1.922 -5.131 1.00 0.00 H new ATOM 0 HG SER A 14 5.130 2.966 -7.199 1.00 0.00 H new ATOM 214 N LEU A 15 3.681 0.788 -2.703 1.00 0.00 N ATOM 215 CA LEU A 15 3.773 0.722 -1.253 1.00 0.00 C ATOM 216 C LEU A 15 5.081 1.343 -0.785 1.00 0.00 C ATOM 217 O LEU A 15 6.159 0.926 -1.205 1.00 0.00 O ATOM 218 CB LEU A 15 3.682 -0.736 -0.786 1.00 0.00 C ATOM 219 CG LEU A 15 3.688 -0.943 0.730 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.469 -0.290 1.361 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.731 -2.426 1.064 1.00 0.00 C ATOM 0 H LEU A 15 4.027 -0.042 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 15 2.944 1.281 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.769 -1.173 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.518 -1.289 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 15 4.582 -0.472 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.489 -0.447 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.479 0.779 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.563 -0.733 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.735 -2.555 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.855 -2.919 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.634 -2.868 0.643 1.00 0.00 H new ATOM 233 N ILE A 16 4.984 2.353 0.066 1.00 0.00 N ATOM 234 CA ILE A 16 6.163 3.038 0.575 1.00 0.00 C ATOM 235 C ILE A 16 6.401 2.717 2.049 1.00 0.00 C ATOM 236 O ILE A 16 5.470 2.381 2.788 1.00 0.00 O ATOM 237 CB ILE A 16 6.055 4.572 0.407 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.853 5.118 1.184 1.00 0.00 C ATOM 239 CG2 ILE A 16 5.952 4.934 -1.069 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.771 6.630 1.210 1.00 0.00 C ATOM 0 H ILE A 16 4.099 2.717 0.419 1.00 0.00 H new ATOM 0 HA ILE A 16 7.005 2.676 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 16 6.957 5.030 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.938 4.722 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.898 4.749 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.877 6.016 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.839 4.580 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.066 4.465 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.893 6.937 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.668 7.035 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.693 7.008 0.191 1.00 0.00 H new ATOM 252 N ALA A 17 7.656 2.814 2.462 1.00 0.00 N ATOM 253 CA ALA A 17 8.026 2.624 3.855 1.00 0.00 C ATOM 254 C ALA A 17 7.783 3.907 4.637 1.00 0.00 C ATOM 255 O ALA A 17 8.464 4.914 4.422 1.00 0.00 O ATOM 256 CB ALA A 17 9.486 2.209 3.953 1.00 0.00 C ATOM 0 H ALA A 17 8.441 3.025 1.846 1.00 0.00 H new ATOM 0 HA ALA A 17 7.410 1.833 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.755 2.069 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.636 1.275 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.115 2.986 3.518 1.00 0.00 H new ATOM 262 N LYS A 18 6.803 3.885 5.526 1.00 0.00 N ATOM 263 CA LYS A 18 6.470 5.069 6.299 1.00 0.00 C ATOM 264 C LYS A 18 6.872 4.899 7.756 1.00 0.00 C ATOM 265 O LYS A 18 6.644 3.841 8.351 1.00 0.00 O ATOM 266 CB LYS A 18 4.976 5.381 6.212 1.00 0.00 C ATOM 267 CG LYS A 18 4.594 6.653 6.952 1.00 0.00 C ATOM 268 CD LYS A 18 3.093 6.851 6.995 1.00 0.00 C ATOM 269 CE LYS A 18 2.717 8.070 7.820 1.00 0.00 C ATOM 270 NZ LYS A 18 3.268 7.997 9.201 1.00 0.00 N ATOM 0 H LYS A 18 6.229 3.067 5.729 1.00 0.00 H new ATOM 0 HA LYS A 18 7.028 5.903 5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.690 5.476 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.411 4.544 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.984 6.613 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.060 7.510 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.710 6.964 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.620 5.964 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.088 8.969 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.631 8.156 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.804 8.711 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.094 7.050 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.292 8.178 9.176 1.00 0.00 H new ATOM 284 N ASN A 19 7.499 5.938 8.308 1.00 0.00 N ATOM 285 CA ASN A 19 7.868 5.982 9.724 1.00 0.00 C ATOM 286 C ASN A 19 8.858 4.865 10.060 1.00 0.00 C ATOM 287 O ASN A 19 9.072 4.523 11.224 1.00 0.00 O ATOM 288 CB ASN A 19 6.605 5.890 10.598 1.00 0.00 C ATOM 289 CG ASN A 19 6.865 6.172 12.068 1.00 0.00 C ATOM 290 OD1 ASN A 19 7.794 6.902 12.422 1.00 0.00 O ATOM 291 ND2 ASN A 19 6.034 5.610 12.932 1.00 0.00 N ATOM 0 H ASN A 19 7.766 6.773 7.787 1.00 0.00 H new ATOM 0 HA ASN A 19 8.361 6.932 9.932 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.863 6.596 10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.175 4.894 10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.150 5.775 13.932 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.278 5.012 12.598 1.00 0.00 H new ATOM 298 N THR A 20 9.484 4.324 9.026 1.00 0.00 N ATOM 299 CA THR A 20 10.431 3.236 9.183 1.00 0.00 C ATOM 300 C THR A 20 11.731 3.731 9.817 1.00 0.00 C ATOM 301 O THR A 20 12.408 4.599 9.265 1.00 0.00 O ATOM 302 CB THR A 20 10.726 2.586 7.819 1.00 0.00 C ATOM 303 OG1 THR A 20 9.493 2.219 7.187 1.00 0.00 O ATOM 304 CG2 THR A 20 11.610 1.357 7.975 1.00 0.00 C ATOM 0 H THR A 20 9.350 4.626 8.061 1.00 0.00 H new ATOM 0 HA THR A 20 9.987 2.492 9.845 1.00 0.00 H new ATOM 0 HB THR A 20 11.258 3.310 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.013 3.028 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.801 0.920 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.556 1.645 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.107 0.625 8.607 1.00 0.00 H new ATOM 312 N PRO A 21 12.083 3.195 10.997 1.00 0.00 N ATOM 313 CA PRO A 21 13.304 3.574 11.710 1.00 0.00 C ATOM 314 C PRO A 21 14.563 3.018 11.044 1.00 0.00 C ATOM 315 O PRO A 21 14.497 2.341 10.011 1.00 0.00 O ATOM 316 CB PRO A 21 13.128 2.958 13.110 1.00 0.00 C ATOM 317 CG PRO A 21 11.725 2.444 13.162 1.00 0.00 C ATOM 318 CD PRO A 21 11.321 2.183 11.740 1.00 0.00 C ATOM 0 HA PRO A 21 13.436 4.656 11.724 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.844 2.153 13.275 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.300 3.702 13.888 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.666 1.532 13.757 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.061 3.172 13.628 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.577 1.171 11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.247 2.299 11.596 1.00 0.00 H new ATOM 326 N ALA A 22 15.711 3.318 11.633 1.00 0.00 N ATOM 327 CA ALA A 22 16.975 2.784 11.155 1.00 0.00 C ATOM 328 C ALA A 22 17.177 1.365 11.670 1.00 0.00 C ATOM 329 O ALA A 22 16.507 0.947 12.618 1.00 0.00 O ATOM 330 CB ALA A 22 18.129 3.681 11.586 1.00 0.00 C ATOM 0 H ALA A 22 15.792 3.930 12.445 1.00 0.00 H new ATOM 0 HA ALA A 22 16.952 2.756 10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.068 3.267 11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.987 4.680 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.158 3.739 12.674 1.00 0.00 H new ATOM 336 N ASN A 23 18.077 0.626 11.019 1.00 0.00 N ATOM 337 CA ASN A 23 18.405 -0.762 11.382 1.00 0.00 C ATOM 338 C ASN A 23 17.310 -1.731 10.947 1.00 0.00 C ATOM 339 O ASN A 23 17.597 -2.870 10.569 1.00 0.00 O ATOM 340 CB ASN A 23 18.685 -0.914 12.884 1.00 0.00 C ATOM 341 CG ASN A 23 19.961 -0.213 13.312 1.00 0.00 C ATOM 342 OD1 ASN A 23 20.898 -0.068 12.526 1.00 0.00 O ATOM 343 ND2 ASN A 23 20.018 0.212 14.562 1.00 0.00 N ATOM 0 H ASN A 23 18.605 0.973 10.218 1.00 0.00 H new ATOM 0 HA ASN A 23 19.319 -1.014 10.844 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.845 -0.510 13.449 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.756 -1.973 13.132 1.00 0.00 H new ATOM 0 HD21 ASN A 23 20.858 0.678 14.904 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.222 0.074 15.184 1.00 0.00 H new ATOM 350 N SER A 24 16.066 -1.283 10.998 1.00 0.00 N ATOM 351 CA SER A 24 14.949 -2.064 10.502 1.00 0.00 C ATOM 352 C SER A 24 14.914 -2.001 8.979 1.00 0.00 C ATOM 353 O SER A 24 14.447 -1.024 8.387 1.00 0.00 O ATOM 354 CB SER A 24 13.635 -1.561 11.108 1.00 0.00 C ATOM 355 OG SER A 24 13.580 -0.144 11.112 1.00 0.00 O ATOM 0 H SER A 24 15.805 -0.375 11.382 1.00 0.00 H new ATOM 0 HA SER A 24 15.076 -3.104 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.794 -1.958 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.536 -1.934 12.127 1.00 0.00 H new ATOM 0 HG SER A 24 13.973 0.201 10.283 1.00 0.00 H new ATOM 361 N MET A 25 15.450 -3.035 8.357 1.00 0.00 N ATOM 362 CA MET A 25 15.599 -3.078 6.915 1.00 0.00 C ATOM 363 C MET A 25 14.533 -3.967 6.292 1.00 0.00 C ATOM 364 O MET A 25 14.399 -5.133 6.654 1.00 0.00 O ATOM 365 CB MET A 25 16.993 -3.600 6.575 1.00 0.00 C ATOM 366 CG MET A 25 17.253 -3.766 5.086 1.00 0.00 C ATOM 367 SD MET A 25 18.856 -4.521 4.745 1.00 0.00 S ATOM 368 CE MET A 25 18.661 -6.102 5.567 1.00 0.00 C ATOM 0 H MET A 25 15.794 -3.867 8.837 1.00 0.00 H new ATOM 0 HA MET A 25 15.476 -2.074 6.509 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.735 -2.916 6.987 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.138 -4.562 7.067 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.465 -4.380 4.649 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.203 -2.791 4.601 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.324 -6.835 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 25 18.912 -5.997 6.622 1.00 0.00 H new ATOM 0 HE3 MET A 25 17.628 -6.437 5.471 1.00 0.00 H new ATOM 378 N ILE A 26 13.779 -3.420 5.359 1.00 0.00 N ATOM 379 CA ILE A 26 12.718 -4.173 4.717 1.00 0.00 C ATOM 380 C ILE A 26 13.292 -4.986 3.565 1.00 0.00 C ATOM 381 O ILE A 26 13.510 -4.462 2.474 1.00 0.00 O ATOM 382 CB ILE A 26 11.599 -3.252 4.182 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.214 -2.205 5.232 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.383 -4.080 3.791 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.141 -1.241 4.770 1.00 0.00 C ATOM 0 H ILE A 26 13.880 -2.460 5.029 1.00 0.00 H new ATOM 0 HA ILE A 26 12.282 -4.833 5.467 1.00 0.00 H new ATOM 0 HB ILE A 26 11.970 -2.732 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.868 -2.716 6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.103 -1.639 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.600 -3.421 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.662 -4.792 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.015 -4.620 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.922 -0.531 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.491 -0.702 3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.237 -1.796 4.520 1.00 0.00 H new ATOM 397 N MET A 27 13.568 -6.259 3.816 1.00 0.00 N ATOM 398 CA MET A 27 14.141 -7.114 2.788 1.00 0.00 C ATOM 399 C MET A 27 13.051 -7.574 1.827 1.00 0.00 C ATOM 400 O MET A 27 13.330 -7.983 0.700 1.00 0.00 O ATOM 401 CB MET A 27 14.869 -8.309 3.409 1.00 0.00 C ATOM 402 CG MET A 27 15.667 -9.124 2.398 1.00 0.00 C ATOM 403 SD MET A 27 16.816 -10.282 3.170 1.00 0.00 S ATOM 404 CE MET A 27 15.690 -11.344 4.067 1.00 0.00 C ATOM 0 H MET A 27 13.406 -6.717 4.713 1.00 0.00 H new ATOM 0 HA MET A 27 14.878 -6.539 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.542 -7.950 4.188 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.139 -8.958 3.893 1.00 0.00 H new ATOM 0 HG2 MET A 27 14.977 -9.677 1.760 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.224 -8.445 1.752 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.239 -12.191 4.478 1.00 0.00 H new ATOM 0 HE2 MET A 27 15.229 -10.782 4.879 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.915 -11.707 3.391 1.00 0.00 H new ATOM 414 N THR A 28 11.809 -7.503 2.282 1.00 0.00 N ATOM 415 CA THR A 28 10.670 -7.749 1.418 1.00 0.00 C ATOM 416 C THR A 28 10.454 -6.537 0.519 1.00 0.00 C ATOM 417 O THR A 28 9.998 -5.493 0.982 1.00 0.00 O ATOM 418 CB THR A 28 9.395 -8.012 2.241 1.00 0.00 C ATOM 419 OG1 THR A 28 9.657 -9.004 3.244 1.00 0.00 O ATOM 420 CG2 THR A 28 8.256 -8.481 1.345 1.00 0.00 C ATOM 0 H THR A 28 11.567 -7.276 3.247 1.00 0.00 H new ATOM 0 HA THR A 28 10.876 -8.634 0.816 1.00 0.00 H new ATOM 0 HB THR A 28 9.099 -7.078 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.888 -9.608 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.367 -8.660 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.040 -7.715 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.545 -9.404 0.843 1.00 0.00 H new ATOM 428 N LYS A 29 10.810 -6.677 -0.756 1.00 0.00 N ATOM 429 CA LYS A 29 10.731 -5.569 -1.706 1.00 0.00 C ATOM 430 C LYS A 29 9.331 -4.973 -1.734 1.00 0.00 C ATOM 431 O LYS A 29 8.341 -5.700 -1.823 1.00 0.00 O ATOM 432 CB LYS A 29 11.136 -6.030 -3.107 1.00 0.00 C ATOM 433 CG LYS A 29 12.563 -6.540 -3.183 1.00 0.00 C ATOM 434 CD LYS A 29 12.959 -6.885 -4.607 1.00 0.00 C ATOM 435 CE LYS A 29 14.383 -7.411 -4.675 1.00 0.00 C ATOM 436 NZ LYS A 29 15.366 -6.431 -4.144 1.00 0.00 N ATOM 0 H LYS A 29 11.157 -7.549 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 29 11.426 -4.797 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.458 -6.819 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.017 -5.200 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.242 -5.783 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.669 -7.422 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.274 -7.633 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.866 -6.000 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.454 -8.339 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.632 -7.650 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.328 -6.727 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.172 -5.492 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.287 -6.387 -3.108 1.00 0.00 H new ATOM 450 N LEU A 30 9.261 -3.652 -1.658 1.00 0.00 N ATOM 451 CA LEU A 30 7.987 -2.953 -1.597 1.00 0.00 C ATOM 452 C LEU A 30 7.280 -3.017 -2.945 1.00 0.00 C ATOM 453 O LEU A 30 7.767 -2.474 -3.940 1.00 0.00 O ATOM 454 CB LEU A 30 8.183 -1.489 -1.174 1.00 0.00 C ATOM 455 CG LEU A 30 8.561 -1.252 0.297 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.595 -1.970 1.225 1.00 0.00 C ATOM 457 CD2 LEU A 30 9.995 -1.679 0.576 1.00 0.00 C ATOM 0 H LEU A 30 10.077 -3.040 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 30 7.367 -3.447 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.960 -1.052 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.261 -0.946 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 30 8.489 -0.182 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.882 -1.788 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.585 -1.597 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.624 -3.041 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.231 -1.498 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.108 -2.741 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.675 -1.104 -0.053 1.00 0.00 H new ATOM 469 N PRO A 31 6.130 -3.698 -2.997 1.00 0.00 N ATOM 470 CA PRO A 31 5.364 -3.862 -4.220 1.00 0.00 C ATOM 471 C PRO A 31 4.360 -2.734 -4.427 1.00 0.00 C ATOM 472 O PRO A 31 4.477 -1.660 -3.834 1.00 0.00 O ATOM 473 CB PRO A 31 4.643 -5.182 -3.972 1.00 0.00 C ATOM 474 CG PRO A 31 4.393 -5.202 -2.499 1.00 0.00 C ATOM 475 CD PRO A 31 5.482 -4.373 -1.858 1.00 0.00 C ATOM 0 HA PRO A 31 5.986 -3.849 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.710 -5.236 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.252 -6.031 -4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.410 -4.792 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.410 -6.223 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.072 -3.654 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.188 -4.996 -1.309 1.00 0.00 H new ATOM 483 N SER A 32 3.377 -2.979 -5.273 1.00 0.00 N ATOM 484 CA SER A 32 2.313 -2.026 -5.506 1.00 0.00 C ATOM 485 C SER A 32 0.971 -2.657 -5.161 1.00 0.00 C ATOM 486 O SER A 32 0.759 -3.846 -5.395 1.00 0.00 O ATOM 487 CB SER A 32 2.343 -1.566 -6.964 1.00 0.00 C ATOM 488 OG SER A 32 2.472 -2.672 -7.842 1.00 0.00 O ATOM 0 H SER A 32 3.295 -3.840 -5.814 1.00 0.00 H new ATOM 0 HA SER A 32 2.456 -1.154 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.430 -1.018 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.175 -0.878 -7.115 1.00 0.00 H new ATOM 0 HG SER A 32 2.487 -2.354 -8.769 1.00 0.00 H new ATOM 494 N VAL A 33 0.082 -1.873 -4.577 1.00 0.00 N ATOM 495 CA VAL A 33 -1.237 -2.364 -4.223 1.00 0.00 C ATOM 496 C VAL A 33 -2.223 -2.056 -5.340 1.00 0.00 C ATOM 497 O VAL A 33 -2.137 -1.013 -5.991 1.00 0.00 O ATOM 498 CB VAL A 33 -1.746 -1.756 -2.893 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.778 -2.060 -1.759 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.966 -0.254 -3.018 1.00 0.00 C ATOM 0 H VAL A 33 0.249 -0.896 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.159 -3.442 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.707 -2.217 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.154 -1.624 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.684 -3.139 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.198 -1.634 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.323 0.142 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.026 0.231 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.706 -0.058 -3.794 1.00 0.00 H new ATOM 510 N ARG A 34 -3.136 -2.974 -5.575 1.00 0.00 N ATOM 511 CA ARG A 34 -4.139 -2.795 -6.602 1.00 0.00 C ATOM 512 C ARG A 34 -5.504 -2.639 -5.954 1.00 0.00 C ATOM 513 O ARG A 34 -6.183 -3.618 -5.642 1.00 0.00 O ATOM 514 CB ARG A 34 -4.113 -3.964 -7.589 1.00 0.00 C ATOM 515 CG ARG A 34 -5.196 -3.899 -8.652 1.00 0.00 C ATOM 516 CD ARG A 34 -4.707 -4.464 -9.976 1.00 0.00 C ATOM 517 NE ARG A 34 -3.735 -3.576 -10.618 1.00 0.00 N ATOM 518 CZ ARG A 34 -3.282 -3.732 -11.863 1.00 0.00 C ATOM 519 NH1 ARG A 34 -3.658 -4.772 -12.596 1.00 0.00 N ATOM 520 NH2 ARG A 34 -2.440 -2.846 -12.373 1.00 0.00 N ATOM 0 H ARG A 34 -3.204 -3.855 -5.066 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.922 -1.890 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.139 -3.992 -8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.218 -4.897 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.071 -4.457 -8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.511 -2.865 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.253 -5.441 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.556 -4.617 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.381 -2.787 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.300 -5.463 -12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.305 -4.880 -13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.140 -2.047 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.092 -2.962 -13.325 1.00 0.00 H new ATOM 534 N VAL A 35 -5.878 -1.392 -5.725 1.00 0.00 N ATOM 535 CA VAL A 35 -7.110 -1.078 -5.025 1.00 0.00 C ATOM 536 C VAL A 35 -8.211 -0.722 -6.010 1.00 0.00 C ATOM 537 O VAL A 35 -7.940 -0.404 -7.169 1.00 0.00 O ATOM 538 CB VAL A 35 -6.918 0.085 -4.025 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.853 -0.264 -2.998 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.558 1.378 -4.748 1.00 0.00 C ATOM 0 H VAL A 35 -5.341 -0.575 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.397 -1.969 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.864 0.241 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.732 0.567 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.155 -1.156 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.907 -0.454 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.429 2.178 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.630 1.239 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.357 1.643 -5.440 1.00 0.00 H new ATOM 550 N LYS A 36 -9.448 -0.764 -5.550 1.00 0.00 N ATOM 551 CA LYS A 36 -10.576 -0.461 -6.392 1.00 0.00 C ATOM 552 C LYS A 36 -11.355 0.669 -5.747 1.00 0.00 C ATOM 553 O LYS A 36 -11.733 0.577 -4.579 1.00 0.00 O ATOM 554 CB LYS A 36 -11.424 -1.724 -6.568 1.00 0.00 C ATOM 555 CG LYS A 36 -12.644 -1.559 -7.453 1.00 0.00 C ATOM 556 CD LYS A 36 -13.239 -2.915 -7.803 1.00 0.00 C ATOM 557 CE LYS A 36 -14.707 -2.810 -8.175 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.533 -2.379 -7.018 1.00 0.00 N ATOM 0 H LYS A 36 -9.691 -1.008 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.261 -0.139 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.795 -2.510 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.750 -2.064 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.390 -0.949 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.369 -1.030 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.684 -3.351 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.127 -3.591 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.826 -2.099 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.062 -3.775 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.325 -3.041 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.948 -2.370 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.905 -1.424 -7.194 1.00 0.00 H new ATOM 572 N THR A 37 -11.532 1.754 -6.478 1.00 0.00 N ATOM 573 CA THR A 37 -12.185 2.933 -5.933 1.00 0.00 C ATOM 574 C THR A 37 -13.525 3.170 -6.612 1.00 0.00 C ATOM 575 O THR A 37 -13.888 2.447 -7.537 1.00 0.00 O ATOM 576 CB THR A 37 -11.296 4.186 -6.079 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.840 4.326 -7.432 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.100 4.110 -5.143 1.00 0.00 C ATOM 0 H THR A 37 -11.234 1.845 -7.449 1.00 0.00 H new ATOM 0 HA THR A 37 -12.352 2.751 -4.871 1.00 0.00 H new ATOM 0 HB THR A 37 -11.897 5.056 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.598 3.446 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.487 5.003 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.448 4.044 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.506 3.228 -5.382 1.00 0.00 H new ATOM 586 N GLU A 38 -14.263 4.156 -6.133 1.00 0.00 N ATOM 587 CA GLU A 38 -15.553 4.491 -6.706 1.00 0.00 C ATOM 588 C GLU A 38 -15.567 5.957 -7.123 1.00 0.00 C ATOM 589 O GLU A 38 -15.414 6.855 -6.283 1.00 0.00 O ATOM 590 CB GLU A 38 -16.666 4.214 -5.691 1.00 0.00 C ATOM 591 CG GLU A 38 -18.058 4.196 -6.297 1.00 0.00 C ATOM 592 CD GLU A 38 -19.144 4.084 -5.249 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.232 3.031 -4.582 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.911 5.054 -5.083 1.00 0.00 O ATOM 0 H GLU A 38 -13.988 4.741 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.725 3.873 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.476 3.254 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.630 4.973 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.210 5.106 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.138 3.359 -6.990 1.00 0.00 H new ATOM 601 N GLY A 39 -15.735 6.192 -8.418 1.00 0.00 N ATOM 602 CA GLY A 39 -15.740 7.545 -8.936 1.00 0.00 C ATOM 603 C GLY A 39 -14.861 7.692 -10.162 1.00 0.00 C ATOM 604 O GLY A 39 -14.870 6.834 -11.043 1.00 0.00 O ATOM 0 H GLY A 39 -15.868 5.465 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.761 7.832 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.397 8.230 -8.161 1.00 0.00 H new ATOM 608 N TYR A 40 -14.101 8.779 -10.219 1.00 0.00 N ATOM 609 CA TYR A 40 -13.186 9.035 -11.325 1.00 0.00 C ATOM 610 C TYR A 40 -11.939 9.736 -10.809 1.00 0.00 C ATOM 611 O TYR A 40 -11.971 10.363 -9.753 1.00 0.00 O ATOM 612 CB TYR A 40 -13.848 9.901 -12.404 1.00 0.00 C ATOM 613 CG TYR A 40 -14.933 9.192 -13.187 1.00 0.00 C ATOM 614 CD1 TYR A 40 -14.610 8.308 -14.208 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.277 9.406 -12.904 1.00 0.00 C ATOM 616 CE1 TYR A 40 -15.594 7.657 -14.926 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.268 8.758 -13.618 1.00 0.00 C ATOM 618 CZ TYR A 40 -16.920 7.885 -14.627 1.00 0.00 C ATOM 619 OH TYR A 40 -17.905 7.238 -15.341 1.00 0.00 O ATOM 0 H TYR A 40 -14.101 9.505 -9.503 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.916 8.077 -11.769 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.275 10.786 -11.933 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.082 10.247 -13.098 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.572 8.126 -14.445 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.552 10.089 -12.114 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.326 6.973 -15.718 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.308 8.935 -13.387 1.00 0.00 H new ATOM 0 HH TYR A 40 -18.785 7.509 -15.004 1.00 0.00 H new ATOM 629 N ASN A 41 -10.847 9.633 -11.556 1.00 0.00 N ATOM 630 CA ASN A 41 -9.594 10.278 -11.175 1.00 0.00 C ATOM 631 C ASN A 41 -9.239 11.363 -12.188 1.00 0.00 C ATOM 632 O ASN A 41 -8.468 11.123 -13.115 1.00 0.00 O ATOM 633 CB ASN A 41 -8.450 9.256 -11.106 1.00 0.00 C ATOM 634 CG ASN A 41 -8.787 8.025 -10.286 1.00 0.00 C ATOM 635 OD1 ASN A 41 -9.371 7.072 -10.792 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.397 8.025 -9.023 1.00 0.00 N ATOM 0 H ASN A 41 -10.802 9.109 -12.430 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.728 10.722 -10.189 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.187 8.948 -12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.569 9.737 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.579 7.213 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.914 8.837 -8.638 1.00 0.00 H new ATOM 643 N PRO A 42 -9.827 12.559 -12.055 1.00 0.00 N ATOM 644 CA PRO A 42 -9.629 13.646 -13.006 1.00 0.00 C ATOM 645 C PRO A 42 -8.375 14.469 -12.711 1.00 0.00 C ATOM 646 O PRO A 42 -7.403 14.434 -13.465 1.00 0.00 O ATOM 647 CB PRO A 42 -10.891 14.508 -12.834 1.00 0.00 C ATOM 648 CG PRO A 42 -11.685 13.875 -11.729 1.00 0.00 C ATOM 649 CD PRO A 42 -10.754 12.952 -10.998 1.00 0.00 C ATOM 0 HA PRO A 42 -9.485 13.272 -14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.629 15.536 -12.585 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.468 14.541 -13.758 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.084 14.634 -11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.537 13.326 -12.131 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.245 13.453 -10.174 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.278 12.095 -10.575 1.00 0.00 H new ATOM 657 N SER A 43 -8.407 15.204 -11.606 1.00 0.00 N ATOM 658 CA SER A 43 -7.300 16.064 -11.218 1.00 0.00 C ATOM 659 C SER A 43 -6.353 15.344 -10.268 1.00 0.00 C ATOM 660 O SER A 43 -5.224 15.781 -10.045 1.00 0.00 O ATOM 661 CB SER A 43 -7.856 17.327 -10.562 1.00 0.00 C ATOM 662 OG SER A 43 -8.944 17.010 -9.705 1.00 0.00 O ATOM 0 H SER A 43 -9.195 15.220 -10.959 1.00 0.00 H new ATOM 0 HA SER A 43 -6.731 16.333 -12.108 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.070 17.823 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.184 18.028 -11.330 1.00 0.00 H new ATOM 0 HG SER A 43 -9.286 17.831 -9.293 1.00 0.00 H new ATOM 668 N ILE A 44 -6.813 14.229 -9.721 1.00 0.00 N ATOM 669 CA ILE A 44 -6.036 13.488 -8.744 1.00 0.00 C ATOM 670 C ILE A 44 -5.091 12.511 -9.438 1.00 0.00 C ATOM 671 O ILE A 44 -5.524 11.598 -10.142 1.00 0.00 O ATOM 672 CB ILE A 44 -6.950 12.736 -7.756 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.920 13.719 -7.091 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.115 12.018 -6.704 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.888 13.071 -6.124 1.00 0.00 C ATOM 0 H ILE A 44 -7.721 13.819 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.444 14.207 -8.177 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.526 11.991 -8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.345 14.477 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.487 14.234 -7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.774 11.492 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.453 11.302 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.519 12.746 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.540 13.833 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.491 12.333 -6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.331 12.580 -5.326 1.00 0.00 H new ATOM 687 N ASN A 45 -3.801 12.728 -9.231 1.00 0.00 N ATOM 688 CA ASN A 45 -2.757 11.939 -9.873 1.00 0.00 C ATOM 689 C ASN A 45 -2.478 10.662 -9.087 1.00 0.00 C ATOM 690 O ASN A 45 -2.225 10.702 -7.880 1.00 0.00 O ATOM 691 CB ASN A 45 -1.483 12.787 -9.996 1.00 0.00 C ATOM 692 CG ASN A 45 -0.269 12.016 -10.488 1.00 0.00 C ATOM 693 OD1 ASN A 45 -0.381 11.040 -11.229 1.00 0.00 O ATOM 694 ND2 ASN A 45 0.908 12.458 -10.072 1.00 0.00 N ATOM 0 H ASN A 45 -3.446 13.457 -8.612 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.094 11.648 -10.868 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.675 13.615 -10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.254 13.222 -9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.763 11.986 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.960 13.271 -9.458 1.00 0.00 H new ATOM 701 N VAL A 46 -2.508 9.531 -9.781 1.00 0.00 N ATOM 702 CA VAL A 46 -2.294 8.234 -9.150 1.00 0.00 C ATOM 703 C VAL A 46 -0.835 8.051 -8.747 1.00 0.00 C ATOM 704 O VAL A 46 -0.510 7.188 -7.940 1.00 0.00 O ATOM 705 CB VAL A 46 -2.721 7.071 -10.071 1.00 0.00 C ATOM 706 CG1 VAL A 46 -4.184 7.209 -10.455 1.00 0.00 C ATOM 707 CG2 VAL A 46 -1.843 7.000 -11.314 1.00 0.00 C ATOM 0 H VAL A 46 -2.679 9.486 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.917 8.215 -8.256 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.592 6.140 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.469 6.381 -11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.799 7.193 -9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.335 8.152 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.169 6.171 -11.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.926 7.933 -11.872 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.805 6.845 -11.018 1.00 0.00 H new ATOM 717 N ASN A 47 0.043 8.870 -9.314 1.00 0.00 N ATOM 718 CA ASN A 47 1.455 8.831 -8.957 1.00 0.00 C ATOM 719 C ASN A 47 1.735 9.801 -7.820 1.00 0.00 C ATOM 720 O ASN A 47 2.871 9.939 -7.366 1.00 0.00 O ATOM 721 CB ASN A 47 2.334 9.161 -10.164 1.00 0.00 C ATOM 722 CG ASN A 47 2.232 8.121 -11.264 1.00 0.00 C ATOM 723 OD1 ASN A 47 1.972 6.948 -11.003 1.00 0.00 O ATOM 724 ND2 ASN A 47 2.437 8.541 -12.502 1.00 0.00 N ATOM 0 H ASN A 47 -0.197 9.566 -10.020 1.00 0.00 H new ATOM 0 HA ASN A 47 1.696 7.820 -8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.047 10.134 -10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.372 9.242 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.381 7.883 -13.280 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.650 9.523 -12.679 1.00 0.00 H new ATOM 731 N GLU A 48 0.691 10.484 -7.372 1.00 0.00 N ATOM 732 CA GLU A 48 0.800 11.391 -6.245 1.00 0.00 C ATOM 733 C GLU A 48 0.215 10.727 -5.004 1.00 0.00 C ATOM 734 O GLU A 48 0.620 11.018 -3.880 1.00 0.00 O ATOM 735 CB GLU A 48 0.077 12.705 -6.548 1.00 0.00 C ATOM 736 CG GLU A 48 0.294 13.783 -5.501 1.00 0.00 C ATOM 737 CD GLU A 48 -0.368 15.090 -5.875 1.00 0.00 C ATOM 738 OE1 GLU A 48 0.255 15.889 -6.599 1.00 0.00 O ATOM 739 OE2 GLU A 48 -1.520 15.321 -5.452 1.00 0.00 O ATOM 0 H GLU A 48 -0.244 10.425 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 48 1.850 11.619 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.414 13.079 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.991 12.508 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.099 13.441 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.363 13.946 -5.367 1.00 0.00 H new ATOM 746 N LEU A 49 -0.740 9.832 -5.225 1.00 0.00 N ATOM 747 CA LEU A 49 -1.311 9.031 -4.149 1.00 0.00 C ATOM 748 C LEU A 49 -0.408 7.842 -3.857 1.00 0.00 C ATOM 749 O LEU A 49 0.074 7.185 -4.781 1.00 0.00 O ATOM 750 CB LEU A 49 -2.701 8.525 -4.538 1.00 0.00 C ATOM 751 CG LEU A 49 -3.729 9.605 -4.868 1.00 0.00 C ATOM 752 CD1 LEU A 49 -5.015 8.969 -5.372 1.00 0.00 C ATOM 753 CD2 LEU A 49 -4.004 10.471 -3.647 1.00 0.00 C ATOM 0 H LEU A 49 -1.137 9.642 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.396 9.656 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.600 7.869 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.089 7.918 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.325 10.242 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.740 9.749 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.806 8.389 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.422 8.312 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.739 11.235 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.391 9.849 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.079 10.950 -3.325 1.00 0.00 H new ATOM 765 N PHE A 50 -0.172 7.565 -2.585 1.00 0.00 N ATOM 766 CA PHE A 50 0.677 6.448 -2.211 1.00 0.00 C ATOM 767 C PHE A 50 -0.007 5.531 -1.203 1.00 0.00 C ATOM 768 O PHE A 50 -0.938 5.930 -0.494 1.00 0.00 O ATOM 769 CB PHE A 50 2.002 6.947 -1.628 1.00 0.00 C ATOM 770 CG PHE A 50 2.861 7.692 -2.611 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.568 7.008 -3.589 1.00 0.00 C ATOM 772 CD2 PHE A 50 2.965 9.072 -2.556 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.365 7.689 -4.490 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.759 9.758 -3.455 1.00 0.00 C ATOM 775 CZ PHE A 50 4.458 9.066 -4.425 1.00 0.00 C ATOM 0 H PHE A 50 -0.553 8.094 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 50 0.871 5.877 -3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.791 7.598 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.562 6.094 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.495 5.932 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.419 9.618 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.915 7.145 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.833 10.834 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.076 9.600 -5.131 1.00 0.00 H new ATOM 785 N ALA A 51 0.454 4.291 -1.171 1.00 0.00 N ATOM 786 CA ALA A 51 0.068 3.346 -0.142 1.00 0.00 C ATOM 787 C ALA A 51 1.259 3.140 0.772 1.00 0.00 C ATOM 788 O ALA A 51 2.389 3.048 0.303 1.00 0.00 O ATOM 789 CB ALA A 51 -0.377 2.028 -0.755 1.00 0.00 C ATOM 0 H ALA A 51 1.106 3.914 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.777 3.736 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.661 1.336 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.231 2.201 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.442 1.601 -1.333 1.00 0.00 H new ATOM 795 N TYR A 52 1.030 3.082 2.064 1.00 0.00 N ATOM 796 CA TYR A 52 2.136 3.073 3.004 1.00 0.00 C ATOM 797 C TYR A 52 1.942 2.056 4.110 1.00 0.00 C ATOM 798 O TYR A 52 0.820 1.725 4.488 1.00 0.00 O ATOM 799 CB TYR A 52 2.331 4.469 3.614 1.00 0.00 C ATOM 800 CG TYR A 52 1.087 5.056 4.244 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.171 5.766 3.483 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.837 4.912 5.603 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.961 6.312 4.055 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.293 5.458 6.182 1.00 0.00 C ATOM 805 CZ TYR A 52 -1.188 6.158 5.402 1.00 0.00 C ATOM 806 OH TYR A 52 -2.315 6.703 5.973 1.00 0.00 O ATOM 0 H TYR A 52 0.103 3.041 2.487 1.00 0.00 H new ATOM 0 HA TYR A 52 3.027 2.788 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.115 4.416 4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.683 5.146 2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.346 5.894 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.537 4.365 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.666 6.858 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.474 5.337 7.240 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.325 6.502 6.932 1.00 0.00 H new ATOM 816 N VAL A 53 3.055 1.573 4.624 1.00 0.00 N ATOM 817 CA VAL A 53 3.048 0.763 5.820 1.00 0.00 C ATOM 818 C VAL A 53 3.727 1.542 6.931 1.00 0.00 C ATOM 819 O VAL A 53 4.898 1.914 6.828 1.00 0.00 O ATOM 820 CB VAL A 53 3.751 -0.602 5.622 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.863 -1.545 4.820 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.098 -0.433 4.926 1.00 0.00 C ATOM 0 H VAL A 53 3.981 1.730 4.227 1.00 0.00 H new ATOM 0 HA VAL A 53 2.012 0.543 6.076 1.00 0.00 H new ATOM 0 HB VAL A 53 3.929 -1.033 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.371 -2.500 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.925 -1.703 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.656 -1.107 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.568 -1.409 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.948 0.025 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.742 0.205 5.531 1.00 0.00 H new ATOM 832 N ASP A 54 2.973 1.823 7.978 1.00 0.00 N ATOM 833 CA ASP A 54 3.471 2.655 9.055 1.00 0.00 C ATOM 834 C ASP A 54 4.169 1.795 10.086 1.00 0.00 C ATOM 835 O ASP A 54 3.527 1.164 10.926 1.00 0.00 O ATOM 836 CB ASP A 54 2.334 3.449 9.700 1.00 0.00 C ATOM 837 CG ASP A 54 2.835 4.482 10.690 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.252 5.572 10.251 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.794 4.220 11.911 1.00 0.00 O ATOM 0 H ASP A 54 2.018 1.488 8.104 1.00 0.00 H new ATOM 0 HA ASP A 54 4.186 3.367 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.756 3.947 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.658 2.761 10.208 1.00 0.00 H new ATOM 844 N LEU A 55 5.485 1.746 10.000 1.00 0.00 N ATOM 845 CA LEU A 55 6.266 0.918 10.895 1.00 0.00 C ATOM 846 C LEU A 55 6.545 1.662 12.191 1.00 0.00 C ATOM 847 O LEU A 55 7.678 2.049 12.476 1.00 0.00 O ATOM 848 CB LEU A 55 7.571 0.477 10.226 1.00 0.00 C ATOM 849 CG LEU A 55 7.400 -0.268 8.898 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.740 -0.753 8.376 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.437 -1.435 9.053 1.00 0.00 C ATOM 0 H LEU A 55 6.034 2.270 9.319 1.00 0.00 H new ATOM 0 HA LEU A 55 5.691 0.022 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.189 1.358 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.117 -0.165 10.917 1.00 0.00 H new ATOM 0 HG LEU A 55 6.980 0.429 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.594 -1.279 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.399 0.100 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.190 -1.429 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.331 -1.949 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.824 -2.130 9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.464 -1.064 9.375 1.00 0.00 H new ATOM 863 N SER A 56 5.485 1.891 12.953 1.00 0.00 N ATOM 864 CA SER A 56 5.590 2.531 14.254 1.00 0.00 C ATOM 865 C SER A 56 6.168 1.558 15.273 1.00 0.00 C ATOM 866 O SER A 56 6.708 1.958 16.306 1.00 0.00 O ATOM 867 CB SER A 56 4.212 3.024 14.690 1.00 0.00 C ATOM 868 OG SER A 56 3.201 2.476 13.859 1.00 0.00 O ATOM 0 H SER A 56 4.533 1.639 12.687 1.00 0.00 H new ATOM 0 HA SER A 56 6.263 3.386 14.187 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.030 2.743 15.727 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.178 4.113 14.644 1.00 0.00 H new ATOM 0 HG SER A 56 3.170 2.969 13.013 1.00 0.00 H new ATOM 874 N GLY A 57 6.064 0.277 14.960 1.00 0.00 N ATOM 875 CA GLY A 57 6.656 -0.743 15.792 1.00 0.00 C ATOM 876 C GLY A 57 7.981 -1.208 15.230 1.00 0.00 C ATOM 877 O GLY A 57 8.142 -1.312 14.016 1.00 0.00 O ATOM 0 H GLY A 57 5.575 -0.075 14.137 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.802 -0.354 16.800 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.975 -1.590 15.873 1.00 0.00 H new ATOM 881 N SER A 58 8.928 -1.480 16.109 1.00 0.00 N ATOM 882 CA SER A 58 10.245 -1.936 15.701 1.00 0.00 C ATOM 883 C SER A 58 10.294 -3.463 15.688 1.00 0.00 C ATOM 884 O SER A 58 11.306 -4.059 16.052 1.00 0.00 O ATOM 885 CB SER A 58 11.298 -1.381 16.663 1.00 0.00 C ATOM 886 OG SER A 58 11.194 0.030 16.778 1.00 0.00 O ATOM 0 H SER A 58 8.808 -1.392 17.118 1.00 0.00 H new ATOM 0 HA SER A 58 10.454 -1.575 14.694 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.175 -1.839 17.645 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.294 -1.647 16.309 1.00 0.00 H new ATOM 0 HG SER A 58 11.877 0.359 17.400 1.00 0.00 H new ATOM 892 N GLU A 59 9.194 -4.079 15.256 1.00 0.00 N ATOM 893 CA GLU A 59 9.069 -5.534 15.229 1.00 0.00 C ATOM 894 C GLU A 59 10.042 -6.142 14.223 1.00 0.00 C ATOM 895 O GLU A 59 9.874 -5.980 13.013 1.00 0.00 O ATOM 896 CB GLU A 59 7.640 -5.936 14.859 1.00 0.00 C ATOM 897 CG GLU A 59 6.579 -5.405 15.807 1.00 0.00 C ATOM 898 CD GLU A 59 6.586 -6.114 17.141 1.00 0.00 C ATOM 899 OE1 GLU A 59 5.891 -7.144 17.272 1.00 0.00 O ATOM 900 OE2 GLU A 59 7.286 -5.651 18.063 1.00 0.00 O ATOM 0 H GLU A 59 8.369 -3.585 14.917 1.00 0.00 H new ATOM 0 HA GLU A 59 9.307 -5.911 16.224 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.423 -5.579 13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.576 -7.024 14.832 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.739 -4.339 15.965 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.597 -5.515 15.346 1.00 0.00 H new ATOM 907 N PRO A 60 11.075 -6.846 14.708 1.00 0.00 N ATOM 908 CA PRO A 60 12.071 -7.476 13.859 1.00 0.00 C ATOM 909 C PRO A 60 11.653 -8.880 13.433 1.00 0.00 C ATOM 910 O PRO A 60 11.065 -9.631 14.217 1.00 0.00 O ATOM 911 CB PRO A 60 13.319 -7.535 14.758 1.00 0.00 C ATOM 912 CG PRO A 60 12.875 -7.125 16.133 1.00 0.00 C ATOM 913 CD PRO A 60 11.371 -7.083 16.119 1.00 0.00 C ATOM 0 HA PRO A 60 12.227 -6.928 12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.741 -8.540 14.770 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.096 -6.867 14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.233 -7.833 16.880 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.285 -6.150 16.395 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.936 -8.017 16.474 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.981 -6.288 16.755 1.00 0.00 H new ATOM 921 N GLY A 61 11.952 -9.230 12.193 1.00 0.00 N ATOM 922 CA GLY A 61 11.619 -10.546 11.693 1.00 0.00 C ATOM 923 C GLY A 61 10.485 -10.504 10.697 1.00 0.00 C ATOM 924 O GLY A 61 10.092 -9.430 10.236 1.00 0.00 O ATOM 0 H GLY A 61 12.422 -8.623 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.498 -10.988 11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.345 -11.192 12.527 1.00 0.00 H new ATOM 928 N GLU A 62 9.959 -11.668 10.360 1.00 0.00 N ATOM 929 CA GLU A 62 8.852 -11.760 9.423 1.00 0.00 C ATOM 930 C GLU A 62 7.535 -11.503 10.146 1.00 0.00 C ATOM 931 O GLU A 62 6.983 -12.396 10.786 1.00 0.00 O ATOM 932 CB GLU A 62 8.836 -13.133 8.749 1.00 0.00 C ATOM 933 CG GLU A 62 10.142 -13.469 8.054 1.00 0.00 C ATOM 934 CD GLU A 62 10.088 -14.779 7.302 1.00 0.00 C ATOM 935 OE1 GLU A 62 9.481 -14.815 6.214 1.00 0.00 O ATOM 936 OE2 GLU A 62 10.661 -15.779 7.787 1.00 0.00 O ATOM 0 H GLU A 62 10.281 -12.565 10.722 1.00 0.00 H new ATOM 0 HA GLU A 62 8.980 -11.002 8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.623 -13.896 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.025 -13.165 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.395 -12.668 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.941 -13.513 8.794 1.00 0.00 H new ATOM 943 N HIS A 63 7.051 -10.273 10.055 1.00 0.00 N ATOM 944 CA HIS A 63 5.852 -9.870 10.773 1.00 0.00 C ATOM 945 C HIS A 63 4.809 -9.348 9.792 1.00 0.00 C ATOM 946 O HIS A 63 5.150 -8.697 8.807 1.00 0.00 O ATOM 947 CB HIS A 63 6.211 -8.789 11.810 1.00 0.00 C ATOM 948 CG HIS A 63 5.173 -8.568 12.872 1.00 0.00 C ATOM 949 ND1 HIS A 63 5.363 -8.916 14.194 1.00 0.00 N ATOM 950 CD2 HIS A 63 3.938 -8.020 12.807 1.00 0.00 C ATOM 951 CE1 HIS A 63 4.287 -8.596 14.889 1.00 0.00 C ATOM 952 NE2 HIS A 63 3.407 -8.049 14.072 1.00 0.00 N ATOM 0 H HIS A 63 7.472 -9.536 9.490 1.00 0.00 H new ATOM 0 HA HIS A 63 5.433 -10.731 11.294 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.150 -9.064 12.291 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.383 -7.848 11.288 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.458 -7.631 11.921 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.150 -8.755 15.948 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.484 -7.705 14.337 1.00 0.00 H new ATOM 961 N ASP A 64 3.544 -9.638 10.056 1.00 0.00 N ATOM 962 CA ASP A 64 2.463 -9.180 9.188 1.00 0.00 C ATOM 963 C ASP A 64 2.106 -7.741 9.507 1.00 0.00 C ATOM 964 O ASP A 64 1.722 -7.422 10.633 1.00 0.00 O ATOM 965 CB ASP A 64 1.216 -10.053 9.343 1.00 0.00 C ATOM 966 CG ASP A 64 1.402 -11.455 8.810 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.447 -11.627 7.575 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.490 -12.396 9.625 1.00 0.00 O ATOM 0 H ASP A 64 3.239 -10.186 10.860 1.00 0.00 H new ATOM 0 HA ASP A 64 2.815 -9.253 8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.945 -10.105 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.383 -9.581 8.823 1.00 0.00 H new ATOM 973 N TYR A 65 2.244 -6.876 8.521 1.00 0.00 N ATOM 974 CA TYR A 65 1.949 -5.468 8.703 1.00 0.00 C ATOM 975 C TYR A 65 0.713 -5.066 7.924 1.00 0.00 C ATOM 976 O TYR A 65 0.232 -5.808 7.061 1.00 0.00 O ATOM 977 CB TYR A 65 3.142 -4.603 8.304 1.00 0.00 C ATOM 978 CG TYR A 65 4.241 -4.603 9.337 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.135 -3.821 10.479 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.374 -5.389 9.181 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.129 -3.818 11.434 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.373 -5.394 10.134 1.00 0.00 C ATOM 983 CZ TYR A 65 6.244 -4.607 11.259 1.00 0.00 C ATOM 984 OH TYR A 65 7.231 -4.605 12.213 1.00 0.00 O ATOM 0 H TYR A 65 2.559 -7.124 7.583 1.00 0.00 H new ATOM 0 HA TYR A 65 1.750 -5.304 9.762 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.542 -4.961 7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.804 -3.580 8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.259 -3.205 10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.476 -6.006 8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.034 -3.200 12.315 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.250 -6.010 9.999 1.00 0.00 H new ATOM 0 HH TYR A 65 7.082 -3.864 12.836 1.00 0.00 H new ATOM 994 N GLU A 66 0.211 -3.884 8.228 1.00 0.00 N ATOM 995 CA GLU A 66 -1.038 -3.414 7.672 1.00 0.00 C ATOM 996 C GLU A 66 -0.788 -2.333 6.630 1.00 0.00 C ATOM 997 O GLU A 66 -0.153 -1.312 6.914 1.00 0.00 O ATOM 998 CB GLU A 66 -1.920 -2.891 8.804 1.00 0.00 C ATOM 999 CG GLU A 66 -3.265 -2.351 8.361 1.00 0.00 C ATOM 1000 CD GLU A 66 -4.161 -2.045 9.541 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -3.804 -1.163 10.352 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -5.214 -2.700 9.674 1.00 0.00 O ATOM 0 H GLU A 66 0.658 -3.226 8.866 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.548 -4.238 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.085 -3.697 9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.383 -2.102 9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.118 -1.446 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.753 -3.078 7.712 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.273 -2.577 5.423 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.139 -1.629 4.330 1.00 0.00 C ATOM 1011 C VAL A 67 -2.183 -0.528 4.455 1.00 0.00 C ATOM 1012 O VAL A 67 -3.383 -0.781 4.345 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.290 -2.316 2.956 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.158 -1.304 1.827 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.269 -3.431 2.798 1.00 0.00 C ATOM 0 H VAL A 67 -1.768 -3.433 5.175 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.138 -1.201 4.394 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.287 -2.754 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.268 -1.812 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.934 -0.545 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.178 -0.830 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.393 -3.902 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.736 -3.017 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.418 -4.174 3.581 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.718 0.685 4.699 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.599 1.832 4.792 1.00 0.00 C ATOM 1027 C LYS A 68 -2.555 2.619 3.492 1.00 0.00 C ATOM 1028 O LYS A 68 -1.543 2.620 2.791 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.187 2.743 5.947 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.156 2.072 7.310 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.799 3.078 8.392 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.791 2.449 9.775 1.00 0.00 C ATOM 1033 NZ LYS A 68 -1.707 3.476 10.849 1.00 0.00 N ATOM 0 H LYS A 68 -0.730 0.900 4.837 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.611 1.472 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.198 3.149 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.876 3.587 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.128 1.628 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.428 1.260 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.818 3.503 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.514 3.901 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.695 1.856 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.946 1.766 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.704 3.008 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.832 4.026 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.527 4.113 10.785 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.643 3.291 3.175 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.698 4.129 1.991 1.00 0.00 C ATOM 1049 C VAL A 69 -3.953 5.571 2.405 1.00 0.00 C ATOM 1050 O VAL A 69 -4.697 5.820 3.355 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.804 3.662 1.013 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.814 4.511 -0.251 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.627 2.191 0.662 1.00 0.00 C ATOM 0 H VAL A 69 -4.504 3.274 3.721 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.742 4.051 1.474 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.764 3.787 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.601 4.160 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.999 5.553 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.849 4.429 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.415 1.884 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.655 2.044 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.684 1.591 1.570 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.307 6.514 1.727 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.523 7.923 2.020 1.00 0.00 C ATOM 1065 C GLU A 70 -4.964 8.302 1.703 1.00 0.00 C ATOM 1066 O GLU A 70 -5.428 8.091 0.584 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.555 8.801 1.223 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.097 8.461 1.469 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.150 9.448 0.829 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.192 9.605 -0.406 1.00 0.00 O ATOM 1071 OE2 GLU A 70 0.636 10.083 1.567 1.00 0.00 O ATOM 0 H GLU A 70 -2.638 6.330 0.980 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.335 8.089 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.771 8.696 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.726 9.846 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.912 8.431 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.891 7.463 1.082 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.696 8.836 2.700 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.111 9.198 2.548 1.00 0.00 C ATOM 1080 C PRO A 71 -7.353 10.102 1.344 1.00 0.00 C ATOM 1081 O PRO A 71 -6.893 11.246 1.308 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.432 9.931 3.851 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.453 9.395 4.835 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.198 9.124 4.056 1.00 0.00 C ATOM 0 HA PRO A 71 -7.740 8.325 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.327 11.010 3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.457 9.743 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.270 10.112 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.827 8.484 5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.526 9.983 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.643 8.281 4.468 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.070 9.572 0.364 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.316 10.279 -0.884 1.00 0.00 C ATOM 1094 C ILE A 72 -9.602 11.094 -0.799 1.00 0.00 C ATOM 1095 O ILE A 72 -10.679 10.539 -0.572 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.426 9.293 -2.069 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.218 8.351 -2.095 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.536 10.052 -3.385 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.331 7.243 -3.120 1.00 0.00 C ATOM 0 H ILE A 72 -8.495 8.646 0.411 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.471 10.947 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.328 8.696 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.319 8.933 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.093 7.908 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.613 9.343 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.423 10.685 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.651 10.673 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.439 6.617 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.210 6.636 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.425 7.677 -4.116 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.506 12.419 -0.962 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.674 13.299 -0.991 1.00 0.00 C ATOM 1113 C PRO A 73 -11.473 13.132 -2.281 1.00 0.00 C ATOM 1114 O PRO A 73 -10.906 12.802 -3.326 1.00 0.00 O ATOM 1115 CB PRO A 73 -10.074 14.713 -0.911 1.00 0.00 C ATOM 1116 CG PRO A 73 -8.630 14.521 -0.579 1.00 0.00 C ATOM 1117 CD PRO A 73 -8.259 13.172 -1.116 1.00 0.00 C ATOM 0 HA PRO A 73 -11.371 13.081 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.191 15.242 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.575 15.309 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.019 15.302 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.467 14.571 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.941 13.223 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.441 12.722 -0.554 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.786 13.348 -2.188 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.712 13.241 -3.328 1.00 0.00 C ATOM 1127 C ASN A 74 -13.936 11.789 -3.747 1.00 0.00 C ATOM 1128 O ASN A 74 -15.076 11.339 -3.865 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.232 14.066 -4.531 1.00 0.00 C ATOM 1130 CG ASN A 74 -13.241 15.560 -4.266 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -14.032 16.059 -3.467 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -12.360 16.283 -4.942 1.00 0.00 N ATOM 0 H ASN A 74 -13.245 13.605 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.664 13.649 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.222 13.756 -4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.868 13.851 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.320 17.294 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.722 15.829 -5.595 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.853 11.057 -3.957 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.941 9.682 -4.420 1.00 0.00 C ATOM 1141 C ILE A 75 -13.168 8.732 -3.253 1.00 0.00 C ATOM 1142 O ILE A 75 -12.511 8.825 -2.212 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.664 9.252 -5.179 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.413 10.177 -6.372 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.774 7.804 -5.643 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.163 9.833 -7.149 1.00 0.00 C ATOM 0 H ILE A 75 -11.901 11.394 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.788 9.632 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.818 9.330 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.271 10.133 -7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.339 11.204 -6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.865 7.522 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.905 7.154 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.631 7.699 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.048 10.529 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.296 9.904 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.243 8.817 -7.535 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.104 7.818 -3.437 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.421 6.829 -2.427 1.00 0.00 C ATOM 1160 C LYS A 76 -13.539 5.600 -2.610 1.00 0.00 C ATOM 1161 O LYS A 76 -13.498 5.020 -3.694 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.898 6.450 -2.543 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.306 5.250 -1.709 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.730 4.843 -2.034 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.110 3.526 -1.383 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.453 3.068 -1.826 1.00 0.00 N ATOM 0 H LYS A 76 -14.662 7.742 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.234 7.242 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.504 7.306 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.127 6.245 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.630 4.417 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.222 5.490 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.415 5.623 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.845 4.759 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.366 2.769 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.102 3.639 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.748 2.252 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.140 3.840 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.413 2.791 -2.828 1.00 0.00 H new ATOM 1180 N ILE A 77 -12.817 5.214 -1.571 1.00 0.00 N ATOM 1181 CA ILE A 77 -11.996 4.015 -1.651 1.00 0.00 C ATOM 1182 C ILE A 77 -12.835 2.807 -1.251 1.00 0.00 C ATOM 1183 O ILE A 77 -13.575 2.846 -0.269 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.718 4.115 -0.784 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -9.788 2.932 -1.072 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.060 4.175 0.695 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.449 3.025 -0.374 1.00 0.00 C ATOM 0 H ILE A 77 -12.781 5.703 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.657 3.902 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.203 5.040 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.283 2.010 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.623 2.865 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.142 4.245 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.681 5.049 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.603 3.274 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.846 2.153 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.932 3.929 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.603 3.061 0.705 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.750 1.752 -2.038 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.640 0.615 -1.872 1.00 0.00 C ATOM 1201 C VAL A 78 -12.898 -0.617 -1.394 1.00 0.00 C ATOM 1202 O VAL A 78 -13.191 -1.163 -0.331 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.331 0.282 -3.204 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.343 -0.839 -3.043 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -14.971 1.524 -3.785 1.00 0.00 C ATOM 0 H VAL A 78 -12.076 1.657 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.378 0.895 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.573 -0.073 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.812 -1.047 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.838 -1.736 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.106 -0.540 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.457 1.275 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.712 1.912 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.206 2.280 -3.960 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.937 -1.050 -2.187 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.255 -2.307 -1.943 1.00 0.00 C ATOM 1217 C GLU A 79 -9.754 -2.107 -1.865 1.00 0.00 C ATOM 1218 O GLU A 79 -9.096 -1.919 -2.886 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.585 -3.307 -3.055 1.00 0.00 C ATOM 1220 CG GLU A 79 -13.052 -3.699 -3.111 1.00 0.00 C ATOM 1221 CD GLU A 79 -13.403 -4.465 -4.368 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -12.694 -5.441 -4.695 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -14.389 -4.087 -5.041 1.00 0.00 O ATOM 0 H GLU A 79 -11.609 -0.546 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.600 -2.699 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.296 -2.878 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.984 -4.205 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.295 -4.307 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.667 -2.801 -3.054 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.221 -2.110 -0.654 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.783 -2.111 -0.471 1.00 0.00 C ATOM 1232 C ILE A 80 -7.265 -3.530 -0.656 1.00 0.00 C ATOM 1233 O ILE A 80 -7.676 -4.446 0.058 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.371 -1.585 0.922 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.012 -0.222 1.187 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.853 -1.490 1.020 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -7.737 0.321 2.572 1.00 0.00 C ATOM 0 H ILE A 80 -9.761 -2.112 0.211 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.347 -1.441 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.725 -2.284 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.647 0.491 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.090 -0.304 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.575 -1.118 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.416 -2.477 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.481 -0.807 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.223 1.290 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.127 -0.371 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.662 0.436 2.711 1.00 0.00 H new ATOM 1249 N SER A 81 -6.405 -3.727 -1.638 1.00 0.00 N ATOM 1250 CA SER A 81 -5.894 -5.051 -1.935 1.00 0.00 C ATOM 1251 C SER A 81 -4.417 -4.992 -2.318 1.00 0.00 C ATOM 1252 O SER A 81 -4.054 -4.371 -3.317 1.00 0.00 O ATOM 1253 CB SER A 81 -6.712 -5.679 -3.066 1.00 0.00 C ATOM 1254 OG SER A 81 -8.092 -5.717 -2.728 1.00 0.00 O ATOM 0 H SER A 81 -6.046 -2.988 -2.242 1.00 0.00 H new ATOM 0 HA SER A 81 -5.986 -5.668 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.573 -5.106 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.353 -6.689 -3.263 1.00 0.00 H new ATOM 0 HG SER A 81 -8.598 -6.120 -3.464 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.537 -5.618 -1.520 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.908 -6.299 -0.278 1.00 0.00 C ATOM 1262 C PRO A 82 -3.908 -5.357 0.923 1.00 0.00 C ATOM 1263 O PRO A 82 -3.669 -4.156 0.785 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.802 -7.342 -0.139 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.597 -6.698 -0.738 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.091 -5.725 -1.784 1.00 0.00 C ATOM 0 HA PRO A 82 -4.917 -6.711 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.633 -7.603 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.059 -8.264 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.016 -6.181 0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.942 -7.446 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.597 -4.758 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.896 -6.090 -2.792 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.178 -5.906 2.097 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.209 -5.118 3.320 1.00 0.00 C ATOM 1276 C ARG A 83 -3.230 -5.670 4.344 1.00 0.00 C ATOM 1277 O ARG A 83 -2.612 -4.917 5.092 1.00 0.00 O ATOM 1278 CB ARG A 83 -5.619 -5.091 3.907 1.00 0.00 C ATOM 1279 CG ARG A 83 -6.613 -4.326 3.054 1.00 0.00 C ATOM 1280 CD ARG A 83 -7.987 -4.289 3.694 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.612 -5.608 3.741 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.136 -6.140 4.846 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -8.992 -5.527 6.015 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.787 -7.294 4.788 1.00 0.00 N ATOM 0 H ARG A 83 -4.379 -6.897 2.229 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.913 -4.099 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.972 -6.115 4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.583 -4.642 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.255 -3.308 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.682 -4.790 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.903 -3.893 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.627 -3.606 3.136 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.650 -6.153 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.480 -4.647 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.394 -5.936 6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.888 -7.778 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.186 -7.697 5.635 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.093 -6.984 4.377 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.169 -7.623 5.299 1.00 0.00 C ATOM 1300 C VAL A 84 -1.019 -8.258 4.529 1.00 0.00 C ATOM 1301 O VAL A 84 -1.231 -9.149 3.707 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.874 -8.699 6.156 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.903 -9.331 7.143 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -4.071 -8.107 6.888 1.00 0.00 C ATOM 0 H VAL A 84 -3.608 -7.629 3.778 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.784 -6.853 5.968 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.233 -9.480 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.424 -10.085 7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.084 -9.800 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.505 -8.562 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.552 -8.882 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.736 -7.301 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.783 -7.714 6.162 1.00 0.00 H new ATOM 1314 N VAL A 85 0.191 -7.784 4.780 1.00 0.00 N ATOM 1315 CA VAL A 85 1.367 -8.311 4.104 1.00 0.00 C ATOM 1316 C VAL A 85 2.442 -8.696 5.109 1.00 0.00 C ATOM 1317 O VAL A 85 2.713 -7.962 6.063 1.00 0.00 O ATOM 1318 CB VAL A 85 1.954 -7.305 3.085 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.009 -7.117 1.909 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.251 -5.967 3.748 1.00 0.00 C ATOM 0 H VAL A 85 0.385 -7.036 5.446 1.00 0.00 H new ATOM 0 HA VAL A 85 1.043 -9.197 3.559 1.00 0.00 H new ATOM 0 HB VAL A 85 2.892 -7.715 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.441 -6.406 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.855 -8.074 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.053 -6.736 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.663 -5.279 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.330 -5.552 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.973 -6.111 4.552 1.00 0.00 H new ATOM 1330 N THR A 86 3.039 -9.856 4.910 1.00 0.00 N ATOM 1331 CA THR A 86 4.113 -10.309 5.773 1.00 0.00 C ATOM 1332 C THR A 86 5.423 -9.637 5.376 1.00 0.00 C ATOM 1333 O THR A 86 6.074 -10.042 4.411 1.00 0.00 O ATOM 1334 CB THR A 86 4.283 -11.838 5.704 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.994 -12.470 5.696 1.00 0.00 O ATOM 1336 CG2 THR A 86 5.091 -12.348 6.889 1.00 0.00 C ATOM 0 H THR A 86 2.798 -10.502 4.158 1.00 0.00 H new ATOM 0 HA THR A 86 3.853 -10.036 6.796 1.00 0.00 H new ATOM 0 HB THR A 86 4.819 -12.082 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.372 -11.951 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.197 -13.430 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.078 -11.885 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.577 -12.094 7.816 1.00 0.00 H new ATOM 1344 N LEU A 87 5.793 -8.599 6.108 1.00 0.00 N ATOM 1345 CA LEU A 87 7.012 -7.866 5.823 1.00 0.00 C ATOM 1346 C LEU A 87 8.139 -8.379 6.698 1.00 0.00 C ATOM 1347 O LEU A 87 8.047 -8.363 7.927 1.00 0.00 O ATOM 1348 CB LEU A 87 6.821 -6.361 6.042 1.00 0.00 C ATOM 1349 CG LEU A 87 5.836 -5.675 5.089 1.00 0.00 C ATOM 1350 CD1 LEU A 87 5.747 -4.187 5.397 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.253 -5.894 3.640 1.00 0.00 C ATOM 0 H LEU A 87 5.264 -8.246 6.905 1.00 0.00 H new ATOM 0 HA LEU A 87 7.265 -8.024 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.481 -6.201 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.791 -5.872 5.948 1.00 0.00 H new ATOM 0 HG LEU A 87 4.851 -6.118 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.043 -3.715 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.404 -4.048 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.730 -3.731 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.542 -5.400 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.247 -5.477 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.268 -6.962 3.423 1.00 0.00 H new ATOM 1363 N GLN A 88 9.193 -8.854 6.066 1.00 0.00 N ATOM 1364 CA GLN A 88 10.342 -9.347 6.791 1.00 0.00 C ATOM 1365 C GLN A 88 11.294 -8.204 7.100 1.00 0.00 C ATOM 1366 O GLN A 88 12.079 -7.777 6.245 1.00 0.00 O ATOM 1367 CB GLN A 88 11.050 -10.447 5.997 1.00 0.00 C ATOM 1368 CG GLN A 88 12.322 -10.957 6.654 1.00 0.00 C ATOM 1369 CD GLN A 88 12.888 -12.173 5.952 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.698 -12.358 4.750 1.00 0.00 O ATOM 1371 NE2 GLN A 88 13.601 -13.001 6.695 1.00 0.00 N ATOM 0 H GLN A 88 9.276 -8.908 5.051 1.00 0.00 H new ATOM 0 HA GLN A 88 10.003 -9.779 7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.363 -11.282 5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.292 -10.067 5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.069 -10.163 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.115 -11.205 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.734 -12.810 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.019 -13.832 6.275 1.00 0.00 H new ATOM 1380 N LEU A 89 11.191 -7.681 8.312 1.00 0.00 N ATOM 1381 CA LEU A 89 12.102 -6.651 8.764 1.00 0.00 C ATOM 1382 C LEU A 89 13.382 -7.282 9.249 1.00 0.00 C ATOM 1383 O LEU A 89 13.423 -7.942 10.285 1.00 0.00 O ATOM 1384 CB LEU A 89 11.486 -5.790 9.860 1.00 0.00 C ATOM 1385 CG LEU A 89 10.433 -4.804 9.369 1.00 0.00 C ATOM 1386 CD1 LEU A 89 9.973 -3.918 10.507 1.00 0.00 C ATOM 1387 CD2 LEU A 89 10.982 -3.961 8.231 1.00 0.00 C ATOM 0 H LEU A 89 10.486 -7.955 8.996 1.00 0.00 H new ATOM 0 HA LEU A 89 12.316 -5.996 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.035 -6.443 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.281 -5.236 10.359 1.00 0.00 H new ATOM 0 HG LEU A 89 9.577 -5.368 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.221 -3.218 10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.543 -4.534 11.297 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.824 -3.363 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.216 -3.263 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.853 -3.405 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.271 -4.610 7.404 1.00 0.00 H new ATOM 1399 N GLU A 90 14.419 -7.077 8.481 1.00 0.00 N ATOM 1400 CA GLU A 90 15.695 -7.684 8.757 1.00 0.00 C ATOM 1401 C GLU A 90 16.632 -6.687 9.409 1.00 0.00 C ATOM 1402 O GLU A 90 16.305 -5.505 9.552 1.00 0.00 O ATOM 1403 CB GLU A 90 16.317 -8.240 7.480 1.00 0.00 C ATOM 1404 CG GLU A 90 16.412 -9.752 7.485 1.00 0.00 C ATOM 1405 CD GLU A 90 17.111 -10.272 8.723 1.00 0.00 C ATOM 1406 OE1 GLU A 90 18.247 -9.818 8.998 1.00 0.00 O ATOM 1407 OE2 GLU A 90 16.527 -11.114 9.428 1.00 0.00 O ATOM 0 H GLU A 90 14.404 -6.487 7.649 1.00 0.00 H new ATOM 0 HA GLU A 90 15.533 -8.510 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.724 -7.920 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.314 -7.818 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 90 15.410 -10.178 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.951 -10.084 6.598 1.00 0.00 H new ATOM 1414 N HIS A 91 17.796 -7.166 9.792 1.00 0.00 N ATOM 1415 CA HIS A 91 18.760 -6.349 10.499 1.00 0.00 C ATOM 1416 C HIS A 91 19.700 -5.690 9.501 1.00 0.00 C ATOM 1417 O HIS A 91 20.499 -6.369 8.857 1.00 0.00 O ATOM 1418 CB HIS A 91 19.569 -7.207 11.482 1.00 0.00 C ATOM 1419 CG HIS A 91 18.744 -8.197 12.255 1.00 0.00 C ATOM 1420 ND1 HIS A 91 19.027 -9.547 12.289 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.636 -8.032 13.019 1.00 0.00 C ATOM 1422 CE1 HIS A 91 18.132 -10.164 13.032 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.275 -9.272 13.488 1.00 0.00 N ATOM 0 H HIS A 91 18.100 -8.125 9.624 1.00 0.00 H new ATOM 0 HA HIS A 91 18.227 -5.581 11.060 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.339 -7.745 10.929 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.081 -6.550 12.185 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.131 -7.099 13.221 1.00 0.00 H new ATOM 0 HE1 HIS A 91 18.105 -11.225 13.234 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.476 -9.470 14.090 1.00 0.00 H new ATOM 1432 N HIS A 92 19.586 -4.376 9.348 1.00 0.00 N ATOM 1433 CA HIS A 92 20.503 -3.639 8.483 1.00 0.00 C ATOM 1434 C HIS A 92 21.853 -3.519 9.177 1.00 0.00 C ATOM 1435 O HIS A 92 22.863 -3.178 8.565 1.00 0.00 O ATOM 1436 CB HIS A 92 19.952 -2.251 8.144 1.00 0.00 C ATOM 1437 CG HIS A 92 20.565 -1.649 6.910 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.897 -1.311 6.814 1.00 0.00 N ATOM 1439 CD2 HIS A 92 20.019 -1.346 5.710 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.142 -0.829 5.610 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.019 -0.839 4.919 1.00 0.00 N ATOM 0 H HIS A 92 18.877 -3.803 9.805 1.00 0.00 H new ATOM 0 HA HIS A 92 20.618 -4.184 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.873 -2.320 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 92 20.124 -1.584 8.989 1.00 0.00 H new ATOM 0 HD1 HIS A 92 22.587 -1.417 7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 92 18.985 -1.479 5.426 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.101 -0.484 5.251 1.00 0.00 H new