USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl -139:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot 72:sc= 0.289 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.36 (180deg=0.0056) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 6 LYS NZ :NH3+ -146:sc= -0.39 (180deg=-1.51!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.12 USER MOD Single : A 28 ASN : amide:sc= -1.6! C(o=-1.6!,f=-7.2!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.297 F(o=-1.8!,f=-0.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.0509 (180deg=-0.699) USER MOD Single : A 52 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.3!) USER MOD Single : A 60 MET CE :methyl -131:sc= -0.253 (180deg=-0.749) USER MOD Single : A 62 MET CE :methyl -150:sc= 0 (180deg=-0.0412) USER MOD Single : A 66 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 69 SER OG : rot 180:sc= -0.535 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.353 20.684 4.688 1.00 0.00 N ATOM 2 CA MET A 1 19.879 20.512 4.553 1.00 0.00 C ATOM 3 C MET A 1 19.395 19.450 5.543 1.00 0.00 C ATOM 4 O MET A 1 20.139 18.579 5.948 1.00 0.00 O ATOM 5 CB MET A 1 19.545 20.069 3.126 1.00 0.00 C ATOM 6 CG MET A 1 19.701 21.256 2.174 1.00 0.00 C ATOM 7 SD MET A 1 21.278 21.122 1.296 1.00 0.00 S ATOM 8 CE MET A 1 20.754 21.936 -0.232 1.00 0.00 C ATOM 0 H1 MET A 1 21.783 20.748 3.743 1.00 0.00 H new ATOM 0 H2 MET A 1 21.554 21.555 5.220 1.00 0.00 H new ATOM 0 H3 MET A 1 21.753 19.869 5.195 1.00 0.00 H new ATOM 0 HA MET A 1 19.383 21.459 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.205 19.256 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.526 19.685 3.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.876 21.275 1.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.662 22.191 2.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.588 21.965 -0.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.927 21.381 -0.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.431 22.953 -0.010 1.00 0.00 H new ATOM 20 N THR A 2 18.151 19.517 5.937 1.00 0.00 N ATOM 21 CA THR A 2 17.619 18.513 6.902 1.00 0.00 C ATOM 22 C THR A 2 16.466 17.742 6.256 1.00 0.00 C ATOM 23 O THR A 2 15.534 17.331 6.918 1.00 0.00 O ATOM 24 CB THR A 2 17.111 19.231 8.155 1.00 0.00 C ATOM 25 OG1 THR A 2 17.294 20.632 8.002 1.00 0.00 O ATOM 26 CG2 THR A 2 17.891 18.743 9.376 1.00 0.00 C ATOM 0 H THR A 2 17.481 20.223 5.632 1.00 0.00 H new ATOM 0 HA THR A 2 18.412 17.817 7.175 1.00 0.00 H new ATOM 0 HB THR A 2 16.052 19.015 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.968 21.094 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.529 19.255 10.268 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.750 17.668 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.951 18.957 9.240 1.00 0.00 H new ATOM 34 N PHE A 3 16.520 17.544 4.968 1.00 0.00 N ATOM 35 CA PHE A 3 15.425 16.801 4.283 1.00 0.00 C ATOM 36 C PHE A 3 15.951 15.451 3.787 1.00 0.00 C ATOM 37 O PHE A 3 16.522 15.352 2.719 1.00 0.00 O ATOM 38 CB PHE A 3 14.923 17.620 3.092 1.00 0.00 C ATOM 39 CG PHE A 3 13.582 17.090 2.643 1.00 0.00 C ATOM 40 CD1 PHE A 3 12.425 17.419 3.359 1.00 0.00 C ATOM 41 CD2 PHE A 3 13.495 16.273 1.509 1.00 0.00 C ATOM 42 CE1 PHE A 3 11.181 16.930 2.943 1.00 0.00 C ATOM 43 CE2 PHE A 3 12.251 15.784 1.092 1.00 0.00 C ATOM 44 CZ PHE A 3 11.094 16.113 1.809 1.00 0.00 C ATOM 0 H PHE A 3 17.274 17.864 4.361 1.00 0.00 H new ATOM 0 HA PHE A 3 14.607 16.635 4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.836 18.670 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.640 17.566 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.492 18.050 4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.388 16.020 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.289 17.183 3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.184 15.153 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.134 15.737 1.487 1.00 0.00 H new ATOM 54 N ILE A 4 15.759 14.410 4.551 1.00 0.00 N ATOM 55 CA ILE A 4 16.245 13.068 4.119 1.00 0.00 C ATOM 56 C ILE A 4 15.092 12.295 3.474 1.00 0.00 C ATOM 57 O ILE A 4 14.113 11.973 4.117 1.00 0.00 O ATOM 58 CB ILE A 4 16.762 12.293 5.333 1.00 0.00 C ATOM 59 CG1 ILE A 4 17.489 11.032 4.857 1.00 0.00 C ATOM 60 CG2 ILE A 4 15.586 11.893 6.228 1.00 0.00 C ATOM 61 CD1 ILE A 4 18.975 11.136 5.206 1.00 0.00 C ATOM 0 H ILE A 4 15.287 14.431 5.455 1.00 0.00 H new ATOM 0 HA ILE A 4 17.053 13.190 3.398 1.00 0.00 H new ATOM 0 HB ILE A 4 17.449 12.922 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 4 17.055 10.150 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 4 17.365 10.912 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.957 11.341 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 4 15.065 12.789 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.897 11.264 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 4 19.492 10.238 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 4 19.404 12.009 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 4 19.089 11.235 6.286 1.00 0.00 H new ATOM 73 N THR A 5 15.199 11.997 2.207 1.00 0.00 N ATOM 74 CA THR A 5 14.107 11.247 1.524 1.00 0.00 C ATOM 75 C THR A 5 14.073 9.808 2.043 1.00 0.00 C ATOM 76 O THR A 5 14.695 8.922 1.491 1.00 0.00 O ATOM 77 CB THR A 5 14.356 11.244 0.013 1.00 0.00 C ATOM 78 OG1 THR A 5 13.567 10.229 -0.593 1.00 0.00 O ATOM 79 CG2 THR A 5 15.835 10.976 -0.266 1.00 0.00 C ATOM 0 H THR A 5 15.994 12.240 1.617 1.00 0.00 H new ATOM 0 HA THR A 5 13.151 11.728 1.731 1.00 0.00 H new ATOM 0 HB THR A 5 14.083 12.215 -0.400 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.724 10.227 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.008 10.975 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.440 11.755 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.113 10.007 0.147 1.00 0.00 H new ATOM 87 N LYS A 6 13.351 9.569 3.104 1.00 0.00 N ATOM 88 CA LYS A 6 13.275 8.193 3.663 1.00 0.00 C ATOM 89 C LYS A 6 11.927 7.569 3.297 1.00 0.00 C ATOM 90 O LYS A 6 11.049 7.438 4.128 1.00 0.00 O ATOM 91 CB LYS A 6 13.404 8.265 5.186 1.00 0.00 C ATOM 92 CG LYS A 6 14.846 7.962 5.596 1.00 0.00 C ATOM 93 CD LYS A 6 15.201 6.530 5.195 1.00 0.00 C ATOM 94 CE LYS A 6 16.440 6.542 4.297 1.00 0.00 C ATOM 95 NZ LYS A 6 16.074 6.044 2.941 1.00 0.00 N ATOM 0 H LYS A 6 12.809 10.271 3.608 1.00 0.00 H new ATOM 0 HA LYS A 6 14.080 7.584 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.116 9.255 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.725 7.551 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.527 8.665 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.964 8.089 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.389 5.928 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.363 6.070 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.843 7.552 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.221 5.916 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.875 5.518 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.248 5.416 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.843 6.850 2.326 1.00 0.00 H new ATOM 109 N THR A 7 11.749 7.182 2.063 1.00 0.00 N ATOM 110 CA THR A 7 10.452 6.570 1.660 1.00 0.00 C ATOM 111 C THR A 7 9.306 7.505 2.046 1.00 0.00 C ATOM 112 O THR A 7 8.394 7.107 2.744 1.00 0.00 O ATOM 113 CB THR A 7 10.281 5.229 2.379 1.00 0.00 C ATOM 114 OG1 THR A 7 11.374 5.027 3.263 1.00 0.00 O ATOM 115 CG2 THR A 7 10.237 4.096 1.352 1.00 0.00 C ATOM 0 H THR A 7 12.443 7.263 1.320 1.00 0.00 H new ATOM 0 HA THR A 7 10.442 6.411 0.582 1.00 0.00 H new ATOM 0 HB THR A 7 9.350 5.237 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.266 4.170 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.115 3.143 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.398 4.252 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.166 4.085 0.783 1.00 0.00 H new ATOM 123 N PRO A 8 9.373 8.719 1.560 1.00 0.00 N ATOM 124 CA PRO A 8 8.333 9.721 1.819 1.00 0.00 C ATOM 125 C PRO A 8 7.006 9.376 1.104 1.00 0.00 C ATOM 126 O PRO A 8 5.954 9.645 1.650 1.00 0.00 O ATOM 127 CB PRO A 8 8.959 11.038 1.338 1.00 0.00 C ATOM 128 CG PRO A 8 10.102 10.659 0.370 1.00 0.00 C ATOM 129 CD PRO A 8 10.484 9.200 0.702 1.00 0.00 C ATOM 0 HA PRO A 8 8.048 9.774 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.217 11.659 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.341 11.615 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.780 10.750 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.956 11.324 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.579 8.598 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.440 9.147 1.222 1.00 0.00 H new ATOM 137 N PRO A 9 7.057 8.770 -0.072 1.00 0.00 N ATOM 138 CA PRO A 9 5.837 8.384 -0.784 1.00 0.00 C ATOM 139 C PRO A 9 5.208 7.167 -0.116 1.00 0.00 C ATOM 140 O PRO A 9 4.013 7.096 0.035 1.00 0.00 O ATOM 141 CB PRO A 9 6.313 8.062 -2.202 1.00 0.00 C ATOM 142 CG PRO A 9 7.812 7.747 -2.089 1.00 0.00 C ATOM 143 CD PRO A 9 8.293 8.424 -0.798 1.00 0.00 C ATOM 0 HA PRO A 9 5.073 9.162 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.767 7.213 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.142 8.905 -2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.982 6.671 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.356 8.126 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.922 7.755 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.887 9.312 -1.014 1.00 0.00 H new ATOM 151 N ALA A 10 6.023 6.223 0.280 1.00 0.00 N ATOM 152 CA ALA A 10 5.530 4.971 0.951 1.00 0.00 C ATOM 153 C ALA A 10 4.102 5.143 1.482 1.00 0.00 C ATOM 154 O ALA A 10 3.174 4.516 1.008 1.00 0.00 O ATOM 155 CB ALA A 10 6.462 4.630 2.115 1.00 0.00 C ATOM 0 H ALA A 10 7.036 6.265 0.165 1.00 0.00 H new ATOM 0 HA ALA A 10 5.524 4.167 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.112 3.723 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.472 4.471 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.467 5.453 2.830 1.00 0.00 H new ATOM 161 N ALA A 11 3.915 5.987 2.460 1.00 0.00 N ATOM 162 CA ALA A 11 2.546 6.195 3.015 1.00 0.00 C ATOM 163 C ALA A 11 1.627 6.740 1.920 1.00 0.00 C ATOM 164 O ALA A 11 0.554 6.226 1.685 1.00 0.00 O ATOM 165 CB ALA A 11 2.610 7.197 4.169 1.00 0.00 C ATOM 0 H ALA A 11 4.650 6.541 2.899 1.00 0.00 H new ATOM 0 HA ALA A 11 2.155 5.245 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.610 7.349 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.264 6.810 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.002 8.147 3.805 1.00 0.00 H new ATOM 171 N VAL A 12 2.042 7.779 1.251 1.00 0.00 N ATOM 172 CA VAL A 12 1.201 8.367 0.168 1.00 0.00 C ATOM 173 C VAL A 12 0.654 7.248 -0.731 1.00 0.00 C ATOM 174 O VAL A 12 -0.535 7.149 -0.963 1.00 0.00 O ATOM 175 CB VAL A 12 2.064 9.324 -0.660 1.00 0.00 C ATOM 176 CG1 VAL A 12 1.335 9.695 -1.950 1.00 0.00 C ATOM 177 CG2 VAL A 12 2.339 10.594 0.153 1.00 0.00 C ATOM 0 H VAL A 12 2.933 8.250 1.408 1.00 0.00 H new ATOM 0 HA VAL A 12 0.362 8.909 0.603 1.00 0.00 H new ATOM 0 HB VAL A 12 3.006 8.835 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.954 10.376 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.140 8.793 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.390 10.181 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.953 11.276 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.395 11.078 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.865 10.332 1.071 1.00 0.00 H new ATOM 187 N LEU A 13 1.517 6.410 -1.239 1.00 0.00 N ATOM 188 CA LEU A 13 1.082 5.298 -2.119 1.00 0.00 C ATOM 189 C LEU A 13 -0.113 4.567 -1.495 1.00 0.00 C ATOM 190 O LEU A 13 -1.224 4.648 -1.978 1.00 0.00 O ATOM 191 CB LEU A 13 2.251 4.322 -2.277 1.00 0.00 C ATOM 192 CG LEU A 13 3.246 4.861 -3.310 1.00 0.00 C ATOM 193 CD1 LEU A 13 3.705 6.266 -2.929 1.00 0.00 C ATOM 194 CD2 LEU A 13 4.468 3.940 -3.377 1.00 0.00 C ATOM 0 H LEU A 13 2.523 6.454 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 13 0.782 5.692 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.750 4.181 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.881 3.346 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 13 2.751 4.897 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.411 6.633 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.843 6.932 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.189 6.238 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.174 4.325 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.948 3.900 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.153 2.938 -3.667 1.00 0.00 H new ATOM 206 N LEU A 14 0.113 3.844 -0.432 1.00 0.00 N ATOM 207 CA LEU A 14 -1.003 3.095 0.217 1.00 0.00 C ATOM 208 C LEU A 14 -2.140 4.053 0.582 1.00 0.00 C ATOM 209 O LEU A 14 -3.255 3.639 0.829 1.00 0.00 O ATOM 210 CB LEU A 14 -0.487 2.412 1.484 1.00 0.00 C ATOM 211 CG LEU A 14 -0.291 0.920 1.214 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.174 0.225 2.494 1.00 0.00 C ATOM 213 CD2 LEU A 14 -1.617 0.309 0.756 1.00 0.00 C ATOM 0 H LEU A 14 1.023 3.739 0.016 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.380 2.346 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.455 2.863 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.194 2.555 2.301 1.00 0.00 H new ATOM 0 HG LEU A 14 0.461 0.787 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.313 -0.839 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.118 0.661 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.577 0.357 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.480 -0.755 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.368 0.443 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.950 0.804 -0.157 1.00 0.00 H new ATOM 225 N LYS A 15 -1.872 5.327 0.619 1.00 0.00 N ATOM 226 CA LYS A 15 -2.944 6.301 0.969 1.00 0.00 C ATOM 227 C LYS A 15 -3.920 6.419 -0.203 1.00 0.00 C ATOM 228 O LYS A 15 -5.116 6.531 -0.019 1.00 0.00 O ATOM 229 CB LYS A 15 -2.323 7.669 1.258 1.00 0.00 C ATOM 230 CG LYS A 15 -2.873 8.210 2.579 1.00 0.00 C ATOM 231 CD LYS A 15 -3.199 9.698 2.430 1.00 0.00 C ATOM 232 CE LYS A 15 -2.119 10.527 3.126 1.00 0.00 C ATOM 233 NZ LYS A 15 -2.497 11.968 3.087 1.00 0.00 N ATOM 0 H LYS A 15 -0.959 5.737 0.423 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.476 5.954 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.238 7.584 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.549 8.361 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.769 7.658 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.142 8.066 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.255 9.965 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.175 9.913 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.002 10.198 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.158 10.379 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.763 12.532 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.587 12.277 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.405 12.102 3.576 1.00 0.00 H new ATOM 247 N LYS A 16 -3.420 6.389 -1.408 1.00 0.00 N ATOM 248 CA LYS A 16 -4.319 6.493 -2.590 1.00 0.00 C ATOM 249 C LYS A 16 -4.975 5.135 -2.845 1.00 0.00 C ATOM 250 O LYS A 16 -6.018 5.043 -3.461 1.00 0.00 O ATOM 251 CB LYS A 16 -3.504 6.908 -3.817 1.00 0.00 C ATOM 252 CG LYS A 16 -2.815 8.246 -3.543 1.00 0.00 C ATOM 253 CD LYS A 16 -1.491 8.303 -4.306 1.00 0.00 C ATOM 254 CE LYS A 16 -1.380 9.643 -5.037 1.00 0.00 C ATOM 255 NZ LYS A 16 -0.320 9.551 -6.081 1.00 0.00 N ATOM 0 H LYS A 16 -2.427 6.297 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.089 7.240 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.761 6.145 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.155 6.993 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.460 9.069 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.636 8.363 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.656 8.183 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.435 7.481 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.335 9.900 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.141 10.437 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.243 10.461 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.590 9.324 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.567 8.804 -6.761 1.00 0.00 H new ATOM 269 N ALA A 17 -4.373 4.079 -2.369 1.00 0.00 N ATOM 270 CA ALA A 17 -4.963 2.727 -2.578 1.00 0.00 C ATOM 271 C ALA A 17 -6.401 2.720 -2.060 1.00 0.00 C ATOM 272 O ALA A 17 -7.344 2.594 -2.817 1.00 0.00 O ATOM 273 CB ALA A 17 -4.139 1.689 -1.813 1.00 0.00 C ATOM 0 H ALA A 17 -3.498 4.095 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.956 2.483 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.569 0.699 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.112 1.698 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.148 1.929 -0.750 1.00 0.00 H new ATOM 279 N ALA A 18 -6.578 2.859 -0.775 1.00 0.00 N ATOM 280 CA ALA A 18 -7.956 2.866 -0.210 1.00 0.00 C ATOM 281 C ALA A 18 -8.570 4.253 -0.399 1.00 0.00 C ATOM 282 O ALA A 18 -9.235 4.520 -1.379 1.00 0.00 O ATOM 283 CB ALA A 18 -7.899 2.530 1.282 1.00 0.00 C ATOM 0 H ALA A 18 -5.828 2.968 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.566 2.123 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.908 2.535 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.457 1.543 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.291 3.273 1.799 1.00 0.00 H new ATOM 289 N GLY A 19 -8.348 5.142 0.530 1.00 0.00 N ATOM 290 CA GLY A 19 -8.916 6.513 0.398 1.00 0.00 C ATOM 291 C GLY A 19 -9.279 7.056 1.780 1.00 0.00 C ATOM 292 O GLY A 19 -10.326 7.642 1.971 1.00 0.00 O ATOM 0 H GLY A 19 -7.799 4.978 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.193 7.172 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.801 6.491 -0.238 1.00 0.00 H new ATOM 296 N ILE A 20 -8.423 6.868 2.747 1.00 0.00 N ATOM 297 CA ILE A 20 -8.720 7.374 4.111 1.00 0.00 C ATOM 298 C ILE A 20 -9.127 8.843 4.028 1.00 0.00 C ATOM 299 O ILE A 20 -10.279 9.192 4.192 1.00 0.00 O ATOM 300 CB ILE A 20 -7.473 7.229 4.984 1.00 0.00 C ATOM 301 CG1 ILE A 20 -6.920 5.808 4.848 1.00 0.00 C ATOM 302 CG2 ILE A 20 -7.838 7.494 6.446 1.00 0.00 C ATOM 303 CD1 ILE A 20 -8.059 4.797 5.000 1.00 0.00 C ATOM 0 H ILE A 20 -7.530 6.385 2.648 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.536 6.800 4.549 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.719 7.947 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.439 5.686 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.158 5.629 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.949 7.390 7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.234 8.505 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.592 6.776 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.663 3.786 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.520 4.913 5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.805 4.971 4.225 1.00 0.00 H new ATOM 315 N GLU A 21 -8.187 9.701 3.766 1.00 0.00 N ATOM 316 CA GLU A 21 -8.504 11.153 3.660 1.00 0.00 C ATOM 317 C GLU A 21 -9.081 11.435 2.271 1.00 0.00 C ATOM 318 O GLU A 21 -8.469 11.139 1.264 1.00 0.00 O ATOM 319 CB GLU A 21 -7.227 11.972 3.864 1.00 0.00 C ATOM 320 CG GLU A 21 -7.474 13.423 3.445 1.00 0.00 C ATOM 321 CD GLU A 21 -6.765 13.698 2.118 1.00 0.00 C ATOM 322 OE1 GLU A 21 -7.008 12.961 1.176 1.00 0.00 O ATOM 323 OE2 GLU A 21 -5.990 14.638 2.066 1.00 0.00 O ATOM 0 H GLU A 21 -7.207 9.461 3.619 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.231 11.430 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.921 11.932 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.413 11.547 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.544 13.606 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.106 14.102 4.214 1.00 0.00 H new ATOM 330 N SER A 22 -10.257 11.997 2.207 1.00 0.00 N ATOM 331 CA SER A 22 -10.869 12.285 0.880 1.00 0.00 C ATOM 332 C SER A 22 -10.846 13.792 0.615 1.00 0.00 C ATOM 333 O SER A 22 -10.283 14.558 1.373 1.00 0.00 O ATOM 334 CB SER A 22 -12.314 11.786 0.866 1.00 0.00 C ATOM 335 OG SER A 22 -12.330 10.409 0.513 1.00 0.00 O ATOM 0 H SER A 22 -10.819 12.268 3.014 1.00 0.00 H new ATOM 0 HA SER A 22 -10.300 11.775 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.770 11.928 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.904 12.363 0.154 1.00 0.00 H new ATOM 0 HG SER A 22 -13.255 10.084 0.504 1.00 0.00 H new ATOM 341 N GLY A 23 -11.452 14.223 -0.458 1.00 0.00 N ATOM 342 CA GLY A 23 -11.464 15.679 -0.776 1.00 0.00 C ATOM 343 C GLY A 23 -12.311 16.423 0.258 1.00 0.00 C ATOM 344 O GLY A 23 -12.336 17.637 0.294 1.00 0.00 O ATOM 0 H GLY A 23 -11.940 13.629 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.446 16.070 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.868 15.840 -1.776 1.00 0.00 H new ATOM 348 N SER A 24 -13.004 15.706 1.100 1.00 0.00 N ATOM 349 CA SER A 24 -13.847 16.376 2.131 1.00 0.00 C ATOM 350 C SER A 24 -15.085 16.980 1.465 1.00 0.00 C ATOM 351 O SER A 24 -15.203 17.002 0.256 1.00 0.00 O ATOM 352 CB SER A 24 -13.043 17.490 2.804 1.00 0.00 C ATOM 353 OG SER A 24 -11.716 17.038 3.040 1.00 0.00 O ATOM 0 H SER A 24 -13.023 14.686 1.119 1.00 0.00 H new ATOM 0 HA SER A 24 -14.153 15.644 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.030 18.377 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.514 17.776 3.744 1.00 0.00 H new ATOM 0 HG SER A 24 -11.199 17.751 3.470 1.00 0.00 H new ATOM 359 N GLY A 25 -16.006 17.475 2.246 1.00 0.00 N ATOM 360 CA GLY A 25 -17.233 18.085 1.659 1.00 0.00 C ATOM 361 C GLY A 25 -18.316 17.017 1.495 1.00 0.00 C ATOM 362 O GLY A 25 -19.117 16.793 2.380 1.00 0.00 O ATOM 0 H GLY A 25 -15.962 17.483 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.595 18.887 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.001 18.532 0.692 1.00 0.00 H new ATOM 366 N GLU A 26 -18.354 16.363 0.365 1.00 0.00 N ATOM 367 CA GLU A 26 -19.381 15.323 0.139 1.00 0.00 C ATOM 368 C GLU A 26 -18.716 13.944 0.070 1.00 0.00 C ATOM 369 O GLU A 26 -18.301 13.510 -0.986 1.00 0.00 O ATOM 370 CB GLU A 26 -20.116 15.599 -1.178 1.00 0.00 C ATOM 371 CG GLU A 26 -19.251 16.467 -2.098 1.00 0.00 C ATOM 372 CD GLU A 26 -19.891 16.528 -3.486 1.00 0.00 C ATOM 373 OE1 GLU A 26 -20.072 15.477 -4.080 1.00 0.00 O ATOM 374 OE2 GLU A 26 -20.192 17.623 -3.932 1.00 0.00 O ATOM 0 H GLU A 26 -17.710 16.511 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.093 15.341 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.355 14.658 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.062 16.102 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.155 17.471 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.245 16.053 -2.167 1.00 0.00 H new ATOM 381 N PRO A 27 -18.636 13.295 1.204 1.00 0.00 N ATOM 382 CA PRO A 27 -18.030 11.957 1.311 1.00 0.00 C ATOM 383 C PRO A 27 -19.008 10.887 0.819 1.00 0.00 C ATOM 384 O PRO A 27 -20.110 10.766 1.317 1.00 0.00 O ATOM 385 CB PRO A 27 -17.766 11.803 2.809 1.00 0.00 C ATOM 386 CG PRO A 27 -18.734 12.775 3.524 1.00 0.00 C ATOM 387 CD PRO A 27 -19.142 13.834 2.483 1.00 0.00 C ATOM 0 HA PRO A 27 -17.128 11.845 0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -17.939 10.776 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -16.729 12.041 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -19.609 12.244 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -18.251 13.241 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -20.223 13.972 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -18.702 14.805 2.709 1.00 0.00 H new ATOM 395 N ASN A 28 -18.617 10.110 -0.152 1.00 0.00 N ATOM 396 CA ASN A 28 -19.529 9.051 -0.667 1.00 0.00 C ATOM 397 C ASN A 28 -19.946 8.136 0.486 1.00 0.00 C ATOM 398 O ASN A 28 -19.122 7.515 1.127 1.00 0.00 O ATOM 399 CB ASN A 28 -18.806 8.230 -1.737 1.00 0.00 C ATOM 400 CG ASN A 28 -19.743 7.142 -2.263 1.00 0.00 C ATOM 401 OD1 ASN A 28 -20.419 6.485 -1.497 1.00 0.00 O ATOM 402 ND2 ASN A 28 -19.814 6.922 -3.548 1.00 0.00 N ATOM 0 H ASN A 28 -17.707 10.162 -0.611 1.00 0.00 H new ATOM 0 HA ASN A 28 -20.415 9.513 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -18.488 8.877 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -17.906 7.779 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -20.437 6.199 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -19.247 7.473 -4.192 1.00 0.00 H new ATOM 409 N ARG A 29 -21.220 8.051 0.757 1.00 0.00 N ATOM 410 CA ARG A 29 -21.691 7.184 1.866 1.00 0.00 C ATOM 411 C ARG A 29 -21.197 5.752 1.647 1.00 0.00 C ATOM 412 O ARG A 29 -21.766 4.999 0.882 1.00 0.00 O ATOM 413 CB ARG A 29 -23.219 7.201 1.900 1.00 0.00 C ATOM 414 CG ARG A 29 -23.768 7.251 0.473 1.00 0.00 C ATOM 415 CD ARG A 29 -25.108 6.513 0.415 1.00 0.00 C ATOM 416 NE ARG A 29 -25.939 7.079 -0.685 1.00 0.00 N ATOM 417 CZ ARG A 29 -27.183 7.403 -0.462 1.00 0.00 C ATOM 418 NH1 ARG A 29 -27.519 7.961 0.668 1.00 0.00 N ATOM 419 NH2 ARG A 29 -28.091 7.168 -1.369 1.00 0.00 N ATOM 0 H ARG A 29 -21.955 8.548 0.254 1.00 0.00 H new ATOM 0 HA ARG A 29 -21.299 7.555 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -23.590 6.313 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -23.570 8.065 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -23.897 8.286 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -23.059 6.794 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -24.942 5.448 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -25.630 6.610 1.367 1.00 0.00 H new ATOM 0 HE ARG A 29 -25.535 7.213 -1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -26.809 8.144 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -28.492 8.214 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -27.828 6.731 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -29.064 7.421 -1.195 1.00 0.00 H new ATOM 433 N ASN A 30 -20.143 5.371 2.315 1.00 0.00 N ATOM 434 CA ASN A 30 -19.612 3.989 2.149 1.00 0.00 C ATOM 435 C ASN A 30 -18.401 3.796 3.065 1.00 0.00 C ATOM 436 O ASN A 30 -17.633 4.709 3.294 1.00 0.00 O ATOM 437 CB ASN A 30 -19.202 3.774 0.688 1.00 0.00 C ATOM 438 CG ASN A 30 -17.871 4.478 0.410 1.00 0.00 C ATOM 439 OD1 ASN A 30 -16.794 3.762 0.238 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -17.813 5.690 0.347 1.00 0.00 N flip ATOM 0 H ASN A 30 -19.626 5.958 2.970 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.381 3.264 2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.110 2.708 0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.974 4.162 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.656 6.249 0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.922 6.149 0.159 1.00 0.00 H new ATOM 447 N LYS A 31 -18.225 2.617 3.595 1.00 0.00 N ATOM 448 CA LYS A 31 -17.066 2.374 4.498 1.00 0.00 C ATOM 449 C LYS A 31 -15.900 1.794 3.694 1.00 0.00 C ATOM 450 O LYS A 31 -15.936 1.734 2.481 1.00 0.00 O ATOM 451 CB LYS A 31 -17.473 1.392 5.597 1.00 0.00 C ATOM 452 CG LYS A 31 -17.717 2.156 6.902 1.00 0.00 C ATOM 453 CD LYS A 31 -16.390 2.705 7.432 1.00 0.00 C ATOM 454 CE LYS A 31 -16.119 2.133 8.826 1.00 0.00 C ATOM 455 NZ LYS A 31 -15.680 3.228 9.737 1.00 0.00 N ATOM 0 H LYS A 31 -18.833 1.813 3.442 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.756 3.316 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.375 0.855 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.691 0.646 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.418 2.973 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.171 1.497 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.578 2.440 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.426 3.794 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.019 1.659 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.351 1.362 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.496 2.839 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.810 3.661 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.427 3.949 9.798 1.00 0.00 H new ATOM 469 N VAL A 32 -14.862 1.373 4.364 1.00 0.00 N ATOM 470 CA VAL A 32 -13.688 0.805 3.657 1.00 0.00 C ATOM 471 C VAL A 32 -14.076 -0.497 2.953 1.00 0.00 C ATOM 472 O VAL A 32 -15.176 -0.992 3.099 1.00 0.00 O ATOM 473 CB VAL A 32 -12.597 0.523 4.685 1.00 0.00 C ATOM 474 CG1 VAL A 32 -12.259 1.809 5.439 1.00 0.00 C ATOM 475 CG2 VAL A 32 -13.094 -0.532 5.678 1.00 0.00 C ATOM 0 H VAL A 32 -14.780 1.400 5.380 1.00 0.00 H new ATOM 0 HA VAL A 32 -13.331 1.513 2.909 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.706 0.156 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.479 1.606 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.907 2.562 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.150 2.177 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.315 -0.735 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.985 -0.163 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.335 -1.450 5.143 1.00 0.00 H new ATOM 485 N ALA A 33 -13.174 -1.054 2.191 1.00 0.00 N ATOM 486 CA ALA A 33 -13.480 -2.324 1.475 1.00 0.00 C ATOM 487 C ALA A 33 -12.173 -3.052 1.150 1.00 0.00 C ATOM 488 O ALA A 33 -11.095 -2.520 1.325 1.00 0.00 O ATOM 489 CB ALA A 33 -14.226 -2.009 0.177 1.00 0.00 C ATOM 0 H ALA A 33 -12.237 -0.683 2.034 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.102 -2.958 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.451 -2.937 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.156 -1.489 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.604 -1.376 -0.456 1.00 0.00 H new ATOM 495 N THR A 34 -12.260 -4.266 0.678 1.00 0.00 N ATOM 496 CA THR A 34 -11.024 -5.030 0.343 1.00 0.00 C ATOM 497 C THR A 34 -10.621 -4.744 -1.107 1.00 0.00 C ATOM 498 O THR A 34 -11.439 -4.780 -2.004 1.00 0.00 O ATOM 499 CB THR A 34 -11.295 -6.527 0.503 1.00 0.00 C ATOM 500 OG1 THR A 34 -12.671 -6.786 0.256 1.00 0.00 O ATOM 501 CG2 THR A 34 -10.938 -6.966 1.924 1.00 0.00 C ATOM 0 H THR A 34 -13.135 -4.763 0.510 1.00 0.00 H new ATOM 0 HA THR A 34 -10.219 -4.727 1.012 1.00 0.00 H new ATOM 0 HB THR A 34 -10.686 -7.084 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.847 -7.745 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.132 -8.033 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.883 -6.768 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.544 -6.411 2.640 1.00 0.00 H new ATOM 509 N ILE A 35 -9.368 -4.465 -1.345 1.00 0.00 N ATOM 510 CA ILE A 35 -8.923 -4.185 -2.739 1.00 0.00 C ATOM 511 C ILE A 35 -8.093 -5.364 -3.254 1.00 0.00 C ATOM 512 O ILE A 35 -7.747 -6.262 -2.512 1.00 0.00 O ATOM 513 CB ILE A 35 -8.074 -2.913 -2.762 1.00 0.00 C ATOM 514 CG1 ILE A 35 -6.858 -3.095 -1.851 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.911 -1.732 -2.268 1.00 0.00 C ATOM 516 CD1 ILE A 35 -5.654 -2.373 -2.457 1.00 0.00 C ATOM 0 H ILE A 35 -8.636 -4.419 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.796 -4.047 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.738 -2.718 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.071 -2.699 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.636 -4.155 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.306 -0.825 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.777 -1.602 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.248 -1.925 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.788 -2.502 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.437 -2.790 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.878 -1.311 -2.555 1.00 0.00 H new ATOM 528 N LYS A 36 -7.775 -5.370 -4.519 1.00 0.00 N ATOM 529 CA LYS A 36 -6.973 -6.493 -5.083 1.00 0.00 C ATOM 530 C LYS A 36 -5.494 -6.289 -4.753 1.00 0.00 C ATOM 531 O LYS A 36 -5.012 -5.176 -4.675 1.00 0.00 O ATOM 532 CB LYS A 36 -7.156 -6.534 -6.601 1.00 0.00 C ATOM 533 CG LYS A 36 -8.648 -6.510 -6.935 1.00 0.00 C ATOM 534 CD LYS A 36 -8.900 -7.326 -8.203 1.00 0.00 C ATOM 535 CE LYS A 36 -9.649 -8.610 -7.843 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.950 -9.374 -9.086 1.00 0.00 N ATOM 0 H LYS A 36 -8.036 -4.645 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.312 -7.433 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.656 -5.682 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.695 -7.433 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.224 -6.920 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.983 -5.483 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.482 -6.741 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.954 -7.568 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.047 -9.217 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.574 -8.369 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.459 -10.247 -8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.540 -8.794 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.061 -9.615 -9.569 1.00 0.00 H new ATOM 550 N ARG A 37 -4.769 -7.357 -4.558 1.00 0.00 N ATOM 551 CA ARG A 37 -3.328 -7.238 -4.234 1.00 0.00 C ATOM 552 C ARG A 37 -2.561 -6.747 -5.465 1.00 0.00 C ATOM 553 O ARG A 37 -1.380 -6.469 -5.402 1.00 0.00 O ATOM 554 CB ARG A 37 -2.808 -8.612 -3.821 1.00 0.00 C ATOM 555 CG ARG A 37 -3.128 -9.635 -4.913 1.00 0.00 C ATOM 556 CD ARG A 37 -1.966 -10.622 -5.043 1.00 0.00 C ATOM 557 NE ARG A 37 -2.478 -12.016 -4.914 1.00 0.00 N ATOM 558 CZ ARG A 37 -2.547 -12.788 -5.963 1.00 0.00 C ATOM 559 NH1 ARG A 37 -3.316 -12.462 -6.965 1.00 0.00 N ATOM 560 NH2 ARG A 37 -1.847 -13.889 -6.010 1.00 0.00 N ATOM 0 H ARG A 37 -5.121 -8.313 -4.611 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.187 -6.525 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.732 -8.569 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.265 -8.916 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.047 -10.168 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.297 -9.128 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.472 -10.493 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.220 -10.425 -4.273 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.775 -12.367 -4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.864 -11.603 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.369 -13.067 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.246 -14.145 -5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.901 -14.493 -6.830 1.00 0.00 H new ATOM 574 N ASP A 38 -3.224 -6.642 -6.584 1.00 0.00 N ATOM 575 CA ASP A 38 -2.540 -6.173 -7.824 1.00 0.00 C ATOM 576 C ASP A 38 -1.609 -5.001 -7.496 1.00 0.00 C ATOM 577 O ASP A 38 -0.517 -4.901 -8.018 1.00 0.00 O ATOM 578 CB ASP A 38 -3.590 -5.721 -8.840 1.00 0.00 C ATOM 579 CG ASP A 38 -3.343 -6.422 -10.177 1.00 0.00 C ATOM 580 OD1 ASP A 38 -2.220 -6.837 -10.408 1.00 0.00 O ATOM 581 OD2 ASP A 38 -4.283 -6.532 -10.948 1.00 0.00 O ATOM 0 H ASP A 38 -4.214 -6.862 -6.694 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.951 -6.990 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.590 -5.955 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.543 -4.640 -8.970 1.00 0.00 H new ATOM 586 N LYS A 39 -2.032 -4.111 -6.638 1.00 0.00 N ATOM 587 CA LYS A 39 -1.168 -2.946 -6.285 1.00 0.00 C ATOM 588 C LYS A 39 0.111 -3.440 -5.603 1.00 0.00 C ATOM 589 O LYS A 39 1.208 -3.179 -6.054 1.00 0.00 O ATOM 590 CB LYS A 39 -1.926 -2.020 -5.330 1.00 0.00 C ATOM 591 CG LYS A 39 -1.576 -0.563 -5.642 1.00 0.00 C ATOM 592 CD LYS A 39 -2.803 0.145 -6.220 1.00 0.00 C ATOM 593 CE LYS A 39 -2.357 1.200 -7.235 1.00 0.00 C ATOM 594 NZ LYS A 39 -3.557 1.880 -7.801 1.00 0.00 N ATOM 0 H LYS A 39 -2.936 -4.140 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.908 -2.403 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.000 -2.176 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.666 -2.254 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.244 -0.056 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.750 -0.520 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.461 -0.580 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.375 0.615 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.704 1.929 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.780 0.732 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.256 2.598 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.163 1.179 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.090 2.339 -7.035 1.00 0.00 H new ATOM 608 N VAL A 40 -0.024 -4.147 -4.513 1.00 0.00 N ATOM 609 CA VAL A 40 1.179 -4.654 -3.793 1.00 0.00 C ATOM 610 C VAL A 40 2.157 -5.287 -4.787 1.00 0.00 C ATOM 611 O VAL A 40 3.351 -5.317 -4.561 1.00 0.00 O ATOM 612 CB VAL A 40 0.751 -5.705 -2.766 1.00 0.00 C ATOM 613 CG1 VAL A 40 1.993 -6.315 -2.115 1.00 0.00 C ATOM 614 CG2 VAL A 40 -0.115 -5.046 -1.690 1.00 0.00 C ATOM 0 H VAL A 40 -0.918 -4.396 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 40 1.670 -3.822 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 40 0.178 -6.487 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.690 -7.064 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.611 -6.785 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.565 -5.532 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.420 -5.795 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.457 -4.264 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.000 -4.609 -2.152 1.00 0.00 H new ATOM 624 N ARG A 41 1.665 -5.799 -5.882 1.00 0.00 N ATOM 625 CA ARG A 41 2.573 -6.434 -6.879 1.00 0.00 C ATOM 626 C ARG A 41 3.408 -5.358 -7.579 1.00 0.00 C ATOM 627 O ARG A 41 4.606 -5.491 -7.732 1.00 0.00 O ATOM 628 CB ARG A 41 1.741 -7.188 -7.918 1.00 0.00 C ATOM 629 CG ARG A 41 1.992 -8.692 -7.783 1.00 0.00 C ATOM 630 CD ARG A 41 1.145 -9.444 -8.812 1.00 0.00 C ATOM 631 NE ARG A 41 1.642 -10.843 -8.943 1.00 0.00 N ATOM 632 CZ ARG A 41 1.224 -11.593 -9.926 1.00 0.00 C ATOM 633 NH1 ARG A 41 -0.039 -11.594 -10.255 1.00 0.00 N ATOM 634 NH2 ARG A 41 2.069 -12.343 -10.580 1.00 0.00 N ATOM 0 H ARG A 41 0.675 -5.805 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 41 3.238 -7.130 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.682 -6.972 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.004 -6.854 -8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.049 -8.911 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.741 -9.025 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.099 -9.446 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.193 -8.939 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 41 2.308 -11.214 -8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.700 -11.009 -9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.365 -12.180 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.056 -12.343 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.742 -12.929 -11.348 1.00 0.00 H new ATOM 648 N GLU A 42 2.786 -4.295 -8.011 1.00 0.00 N ATOM 649 CA GLU A 42 3.547 -3.217 -8.705 1.00 0.00 C ATOM 650 C GLU A 42 4.286 -2.360 -7.676 1.00 0.00 C ATOM 651 O GLU A 42 5.500 -2.326 -7.639 1.00 0.00 O ATOM 652 CB GLU A 42 2.578 -2.336 -9.496 1.00 0.00 C ATOM 653 CG GLU A 42 3.338 -1.144 -10.084 1.00 0.00 C ATOM 654 CD GLU A 42 2.579 0.149 -9.778 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.366 0.145 -9.904 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.225 1.121 -9.422 1.00 0.00 O ATOM 0 H GLU A 42 1.785 -4.126 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 42 4.270 -3.669 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.113 -2.914 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.776 -1.985 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.342 -1.097 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.449 -1.266 -11.161 1.00 0.00 H new ATOM 663 N ILE A 43 3.564 -1.661 -6.846 1.00 0.00 N ATOM 664 CA ILE A 43 4.223 -0.799 -5.825 1.00 0.00 C ATOM 665 C ILE A 43 5.397 -1.548 -5.189 1.00 0.00 C ATOM 666 O ILE A 43 6.469 -1.004 -5.013 1.00 0.00 O ATOM 667 CB ILE A 43 3.209 -0.429 -4.741 1.00 0.00 C ATOM 668 CG1 ILE A 43 2.113 0.450 -5.350 1.00 0.00 C ATOM 669 CG2 ILE A 43 3.917 0.339 -3.624 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.278 1.076 -4.232 1.00 0.00 C ATOM 0 H ILE A 43 2.544 -1.649 -6.830 1.00 0.00 H new ATOM 0 HA ILE A 43 4.594 0.106 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 43 2.763 -1.336 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.559 1.231 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.476 -0.146 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.196 0.604 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.699 -0.285 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.361 1.247 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.498 1.701 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.820 0.288 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.920 1.686 -3.596 1.00 0.00 H new ATOM 682 N ALA A 44 5.205 -2.790 -4.840 1.00 0.00 N ATOM 683 CA ALA A 44 6.313 -3.566 -4.212 1.00 0.00 C ATOM 684 C ALA A 44 7.456 -3.738 -5.215 1.00 0.00 C ATOM 685 O ALA A 44 8.615 -3.583 -4.882 1.00 0.00 O ATOM 686 CB ALA A 44 5.796 -4.943 -3.792 1.00 0.00 C ATOM 0 H ALA A 44 4.331 -3.301 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 44 6.678 -3.029 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.605 -5.511 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.984 -4.824 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.430 -5.477 -4.669 1.00 0.00 H new ATOM 692 N GLU A 45 7.143 -4.059 -6.440 1.00 0.00 N ATOM 693 CA GLU A 45 8.215 -4.242 -7.459 1.00 0.00 C ATOM 694 C GLU A 45 9.035 -2.956 -7.574 1.00 0.00 C ATOM 695 O GLU A 45 10.125 -2.949 -8.110 1.00 0.00 O ATOM 696 CB GLU A 45 7.584 -4.567 -8.814 1.00 0.00 C ATOM 697 CG GLU A 45 7.615 -6.079 -9.043 1.00 0.00 C ATOM 698 CD GLU A 45 6.751 -6.431 -10.255 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.177 -5.522 -10.833 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.677 -7.603 -10.586 1.00 0.00 O ATOM 0 H GLU A 45 6.192 -4.202 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 45 8.866 -5.062 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.556 -4.205 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.125 -4.057 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.640 -6.412 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.248 -6.599 -8.158 1.00 0.00 H new ATOM 707 N LEU A 46 8.517 -1.866 -7.077 1.00 0.00 N ATOM 708 CA LEU A 46 9.260 -0.582 -7.160 1.00 0.00 C ATOM 709 C LEU A 46 10.153 -0.428 -5.927 1.00 0.00 C ATOM 710 O LEU A 46 10.515 0.667 -5.544 1.00 0.00 O ATOM 711 CB LEU A 46 8.255 0.566 -7.210 1.00 0.00 C ATOM 712 CG LEU A 46 7.921 0.893 -8.665 1.00 0.00 C ATOM 713 CD1 LEU A 46 6.403 0.960 -8.836 1.00 0.00 C ATOM 714 CD2 LEU A 46 8.535 2.243 -9.040 1.00 0.00 C ATOM 0 H LEU A 46 7.609 -1.812 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 46 9.881 -0.570 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.348 0.292 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.667 1.445 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 46 8.327 0.117 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.164 1.193 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.964 -0.002 -8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.998 1.736 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.296 2.476 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.130 3.020 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.617 2.197 -8.918 1.00 0.00 H new ATOM 726 N LYS A 47 10.512 -1.516 -5.301 1.00 0.00 N ATOM 727 CA LYS A 47 11.380 -1.430 -4.093 1.00 0.00 C ATOM 728 C LYS A 47 12.343 -2.619 -4.073 1.00 0.00 C ATOM 729 O LYS A 47 12.914 -2.950 -3.052 1.00 0.00 O ATOM 730 CB LYS A 47 10.510 -1.461 -2.835 1.00 0.00 C ATOM 731 CG LYS A 47 10.316 -0.037 -2.312 1.00 0.00 C ATOM 732 CD LYS A 47 11.523 0.363 -1.461 1.00 0.00 C ATOM 733 CE LYS A 47 12.119 1.663 -2.003 1.00 0.00 C ATOM 734 NZ LYS A 47 12.671 2.465 -0.875 1.00 0.00 N ATOM 0 H LYS A 47 10.241 -2.461 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 47 11.948 -0.500 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.543 -1.912 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.980 -2.079 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.200 0.655 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.404 0.023 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.222 0.494 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.272 -0.428 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.905 1.442 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.354 2.234 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.668 3.473 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.085 2.322 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.646 2.161 -0.677 1.00 0.00 H new ATOM 748 N MET A 48 12.526 -3.265 -5.191 1.00 0.00 N ATOM 749 CA MET A 48 13.449 -4.433 -5.233 1.00 0.00 C ATOM 750 C MET A 48 14.731 -4.105 -4.459 1.00 0.00 C ATOM 751 O MET A 48 15.114 -4.835 -3.567 1.00 0.00 O ATOM 752 CB MET A 48 13.795 -4.763 -6.686 1.00 0.00 C ATOM 753 CG MET A 48 13.471 -6.231 -6.968 1.00 0.00 C ATOM 754 SD MET A 48 14.978 -7.092 -7.482 1.00 0.00 S ATOM 755 CE MET A 48 14.182 -8.604 -8.077 1.00 0.00 C ATOM 0 H MET A 48 12.076 -3.035 -6.077 1.00 0.00 H new ATOM 0 HA MET A 48 12.962 -5.294 -4.775 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.230 -4.119 -7.360 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.852 -4.571 -6.872 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.057 -6.701 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.713 -6.304 -7.748 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.770 -9.469 -7.772 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.180 -8.679 -7.654 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.115 -8.576 -9.165 1.00 0.00 H new ATOM 765 N PRO A 49 15.357 -3.014 -4.824 1.00 0.00 N ATOM 766 CA PRO A 49 16.602 -2.563 -4.176 1.00 0.00 C ATOM 767 C PRO A 49 16.293 -1.882 -2.840 1.00 0.00 C ATOM 768 O PRO A 49 16.383 -0.677 -2.713 1.00 0.00 O ATOM 769 CB PRO A 49 17.182 -1.558 -5.174 1.00 0.00 C ATOM 770 CG PRO A 49 15.994 -1.065 -6.035 1.00 0.00 C ATOM 771 CD PRO A 49 14.887 -2.129 -5.910 1.00 0.00 C ATOM 0 HA PRO A 49 17.287 -3.380 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.658 -0.726 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 49 17.946 -2.025 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.640 -0.095 -5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.295 -0.940 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.925 -1.677 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.755 -2.678 -6.842 1.00 0.00 H new ATOM 779 N ASP A 50 15.928 -2.640 -1.842 1.00 0.00 N ATOM 780 CA ASP A 50 15.614 -2.025 -0.523 1.00 0.00 C ATOM 781 C ASP A 50 15.644 -3.095 0.571 1.00 0.00 C ATOM 782 O ASP A 50 16.500 -3.088 1.434 1.00 0.00 O ATOM 783 CB ASP A 50 14.223 -1.390 -0.576 1.00 0.00 C ATOM 784 CG ASP A 50 13.957 -0.632 0.726 1.00 0.00 C ATOM 785 OD1 ASP A 50 14.914 -0.177 1.330 1.00 0.00 O ATOM 786 OD2 ASP A 50 12.800 -0.518 1.096 1.00 0.00 O ATOM 0 H ASP A 50 15.834 -3.655 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 50 16.358 -1.261 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.154 -0.710 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.466 -2.160 -0.722 1.00 0.00 H new ATOM 791 N LEU A 51 14.715 -4.012 0.549 1.00 0.00 N ATOM 792 CA LEU A 51 14.692 -5.073 1.596 1.00 0.00 C ATOM 793 C LEU A 51 14.971 -6.438 0.960 1.00 0.00 C ATOM 794 O LEU A 51 14.383 -7.434 1.332 1.00 0.00 O ATOM 795 CB LEU A 51 13.318 -5.094 2.270 1.00 0.00 C ATOM 796 CG LEU A 51 12.288 -5.709 1.321 1.00 0.00 C ATOM 797 CD1 LEU A 51 11.838 -7.064 1.867 1.00 0.00 C ATOM 798 CD2 LEU A 51 11.078 -4.778 1.208 1.00 0.00 C ATOM 0 H LEU A 51 13.972 -4.072 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 51 15.460 -4.861 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.364 -5.670 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.019 -4.081 2.540 1.00 0.00 H new ATOM 0 HG LEU A 51 12.736 -5.844 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.104 -7.503 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.699 -7.728 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.390 -6.929 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.344 -5.216 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.630 -4.643 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.398 -3.811 0.819 1.00 0.00 H new ATOM 810 N ASN A 52 15.866 -6.489 0.008 1.00 0.00 N ATOM 811 CA ASN A 52 16.191 -7.788 -0.654 1.00 0.00 C ATOM 812 C ASN A 52 14.909 -8.596 -0.875 1.00 0.00 C ATOM 813 O ASN A 52 14.928 -9.810 -0.910 1.00 0.00 O ATOM 814 CB ASN A 52 17.150 -8.589 0.231 1.00 0.00 C ATOM 815 CG ASN A 52 16.487 -8.882 1.579 1.00 0.00 C ATOM 816 OD1 ASN A 52 16.565 -8.086 2.494 1.00 0.00 O ATOM 817 ND2 ASN A 52 15.832 -10.000 1.741 1.00 0.00 N ATOM 0 H ASN A 52 16.387 -5.685 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 52 16.661 -7.589 -1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.421 -9.523 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.073 -8.029 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.386 -10.205 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.766 -10.668 0.973 1.00 0.00 H new ATOM 824 N ALA A 53 13.795 -7.933 -1.024 1.00 0.00 N ATOM 825 CA ALA A 53 12.515 -8.664 -1.241 1.00 0.00 C ATOM 826 C ALA A 53 12.682 -9.657 -2.393 1.00 0.00 C ATOM 827 O ALA A 53 13.059 -9.294 -3.489 1.00 0.00 O ATOM 828 CB ALA A 53 11.410 -7.664 -1.588 1.00 0.00 C ATOM 0 H ALA A 53 13.716 -6.916 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 53 12.247 -9.203 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.473 -8.198 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.290 -6.956 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.679 -7.125 -2.496 1.00 0.00 H new ATOM 834 N ALA A 54 12.401 -10.910 -2.155 1.00 0.00 N ATOM 835 CA ALA A 54 12.541 -11.922 -3.240 1.00 0.00 C ATOM 836 C ALA A 54 11.926 -11.369 -4.526 1.00 0.00 C ATOM 837 O ALA A 54 12.580 -11.259 -5.544 1.00 0.00 O ATOM 838 CB ALA A 54 11.809 -13.204 -2.837 1.00 0.00 C ATOM 0 H ALA A 54 12.081 -11.275 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 54 13.596 -12.142 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.910 -13.945 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.241 -13.596 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.753 -12.985 -2.678 1.00 0.00 H new ATOM 844 N SER A 55 10.671 -11.020 -4.484 1.00 0.00 N ATOM 845 CA SER A 55 10.002 -10.473 -5.696 1.00 0.00 C ATOM 846 C SER A 55 8.491 -10.474 -5.469 1.00 0.00 C ATOM 847 O SER A 55 7.807 -9.511 -5.750 1.00 0.00 O ATOM 848 CB SER A 55 10.339 -11.346 -6.904 1.00 0.00 C ATOM 849 OG SER A 55 11.151 -10.607 -7.806 1.00 0.00 O ATOM 0 H SER A 55 10.077 -11.091 -3.658 1.00 0.00 H new ATOM 0 HA SER A 55 10.347 -9.456 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.861 -12.247 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.424 -11.668 -7.401 1.00 0.00 H new ATOM 0 HG SER A 55 12.049 -10.504 -7.428 1.00 0.00 H new ATOM 855 N ILE A 56 7.970 -11.552 -4.951 1.00 0.00 N ATOM 856 CA ILE A 56 6.509 -11.629 -4.689 1.00 0.00 C ATOM 857 C ILE A 56 6.286 -12.338 -3.355 1.00 0.00 C ATOM 858 O ILE A 56 5.173 -12.662 -2.990 1.00 0.00 O ATOM 859 CB ILE A 56 5.832 -12.426 -5.804 1.00 0.00 C ATOM 860 CG1 ILE A 56 6.008 -11.694 -7.136 1.00 0.00 C ATOM 861 CG2 ILE A 56 4.340 -12.568 -5.495 1.00 0.00 C ATOM 862 CD1 ILE A 56 5.675 -12.644 -8.288 1.00 0.00 C ATOM 0 H ILE A 56 8.498 -12.387 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 56 6.085 -10.625 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 56 6.287 -13.414 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.358 -10.820 -7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.032 -11.333 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.856 -13.136 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.213 -13.090 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.886 -11.579 -5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.800 -12.123 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.344 -13.504 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.643 -12.983 -8.194 1.00 0.00 H new ATOM 874 N GLU A 57 7.340 -12.597 -2.628 1.00 0.00 N ATOM 875 CA GLU A 57 7.205 -13.290 -1.338 1.00 0.00 C ATOM 876 C GLU A 57 7.383 -12.286 -0.200 1.00 0.00 C ATOM 877 O GLU A 57 6.464 -11.993 0.538 1.00 0.00 O ATOM 878 CB GLU A 57 8.296 -14.348 -1.252 1.00 0.00 C ATOM 879 CG GLU A 57 8.066 -15.188 -0.011 1.00 0.00 C ATOM 880 CD GLU A 57 8.730 -16.556 -0.179 1.00 0.00 C ATOM 881 OE1 GLU A 57 8.099 -17.434 -0.745 1.00 0.00 O ATOM 882 OE2 GLU A 57 9.858 -16.703 0.261 1.00 0.00 O ATOM 0 H GLU A 57 8.295 -12.350 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 57 6.221 -13.751 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.282 -14.978 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.277 -13.876 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.474 -14.681 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.997 -15.312 0.162 1.00 0.00 H new ATOM 889 N ALA A 58 8.568 -11.760 -0.055 1.00 0.00 N ATOM 890 CA ALA A 58 8.824 -10.776 1.034 1.00 0.00 C ATOM 891 C ALA A 58 8.226 -9.417 0.659 1.00 0.00 C ATOM 892 O ALA A 58 7.712 -8.704 1.498 1.00 0.00 O ATOM 893 CB ALA A 58 10.332 -10.627 1.238 1.00 0.00 C ATOM 0 H ALA A 58 9.372 -11.970 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 58 8.361 -11.131 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.522 -9.907 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.759 -11.592 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.791 -10.275 0.314 1.00 0.00 H new ATOM 899 N ALA A 59 8.290 -9.049 -0.592 1.00 0.00 N ATOM 900 CA ALA A 59 7.726 -7.733 -1.009 1.00 0.00 C ATOM 901 C ALA A 59 6.198 -7.792 -0.945 1.00 0.00 C ATOM 902 O ALA A 59 5.540 -6.807 -0.673 1.00 0.00 O ATOM 903 CB ALA A 59 8.168 -7.413 -2.438 1.00 0.00 C ATOM 0 H ALA A 59 8.707 -9.601 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 59 8.089 -6.954 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.754 -6.451 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.256 -7.370 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.809 -8.190 -3.113 1.00 0.00 H new ATOM 909 N MET A 60 5.628 -8.940 -1.190 1.00 0.00 N ATOM 910 CA MET A 60 4.145 -9.061 -1.139 1.00 0.00 C ATOM 911 C MET A 60 3.690 -9.157 0.318 1.00 0.00 C ATOM 912 O MET A 60 2.689 -8.587 0.706 1.00 0.00 O ATOM 913 CB MET A 60 3.712 -10.311 -1.889 1.00 0.00 C ATOM 914 CG MET A 60 2.680 -9.942 -2.956 1.00 0.00 C ATOM 915 SD MET A 60 1.031 -9.898 -2.211 1.00 0.00 S ATOM 916 CE MET A 60 0.754 -11.685 -2.164 1.00 0.00 C ATOM 0 H MET A 60 6.126 -9.799 -1.423 1.00 0.00 H new ATOM 0 HA MET A 60 3.693 -8.184 -1.603 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.576 -10.785 -2.354 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.287 -11.035 -1.194 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.921 -8.971 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.705 -10.669 -3.768 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.226 -11.912 -2.584 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.525 -12.188 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.796 -12.033 -1.132 1.00 0.00 H new ATOM 926 N ARG A 61 4.418 -9.876 1.126 1.00 0.00 N ATOM 927 CA ARG A 61 4.034 -10.015 2.558 1.00 0.00 C ATOM 928 C ARG A 61 4.274 -8.692 3.289 1.00 0.00 C ATOM 929 O ARG A 61 3.721 -8.446 4.342 1.00 0.00 O ATOM 930 CB ARG A 61 4.886 -11.110 3.204 1.00 0.00 C ATOM 931 CG ARG A 61 3.986 -12.049 4.009 1.00 0.00 C ATOM 932 CD ARG A 61 4.779 -12.640 5.176 1.00 0.00 C ATOM 933 NE ARG A 61 3.914 -12.697 6.387 1.00 0.00 N ATOM 934 CZ ARG A 61 4.415 -13.081 7.529 1.00 0.00 C ATOM 935 NH1 ARG A 61 5.177 -14.138 7.584 1.00 0.00 N ATOM 936 NH2 ARG A 61 4.154 -12.408 8.616 1.00 0.00 N ATOM 0 H ARG A 61 5.265 -10.375 0.855 1.00 0.00 H new ATOM 0 HA ARG A 61 2.978 -10.278 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.420 -11.670 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.638 -10.664 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.118 -11.506 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.611 -12.848 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.132 -13.639 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.661 -12.032 5.375 1.00 0.00 H new ATOM 0 HE ARG A 61 2.930 -12.436 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.381 -14.664 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.569 -14.438 8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.558 -11.581 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.546 -12.709 9.508 1.00 0.00 H new ATOM 950 N MET A 62 5.101 -7.841 2.745 1.00 0.00 N ATOM 951 CA MET A 62 5.382 -6.544 3.414 1.00 0.00 C ATOM 952 C MET A 62 4.254 -5.551 3.129 1.00 0.00 C ATOM 953 O MET A 62 3.596 -5.070 4.030 1.00 0.00 O ATOM 954 CB MET A 62 6.695 -5.985 2.872 1.00 0.00 C ATOM 955 CG MET A 62 7.852 -6.457 3.752 1.00 0.00 C ATOM 956 SD MET A 62 8.680 -5.022 4.480 1.00 0.00 S ATOM 957 CE MET A 62 9.847 -5.936 5.519 1.00 0.00 C ATOM 0 H MET A 62 5.594 -7.991 1.865 1.00 0.00 H new ATOM 0 HA MET A 62 5.454 -6.699 4.491 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.847 -6.316 1.845 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.659 -4.896 2.854 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.480 -7.114 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.560 -7.037 3.160 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.078 -5.350 6.408 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.403 -6.886 5.816 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.763 -6.123 4.959 1.00 0.00 H new ATOM 967 N ILE A 63 4.032 -5.230 1.885 1.00 0.00 N ATOM 968 CA ILE A 63 2.954 -4.257 1.549 1.00 0.00 C ATOM 969 C ILE A 63 1.593 -4.827 1.949 1.00 0.00 C ATOM 970 O ILE A 63 0.758 -4.131 2.490 1.00 0.00 O ATOM 971 CB ILE A 63 2.963 -3.980 0.047 1.00 0.00 C ATOM 972 CG1 ILE A 63 4.237 -3.219 -0.326 1.00 0.00 C ATOM 973 CG2 ILE A 63 1.743 -3.134 -0.321 1.00 0.00 C ATOM 974 CD1 ILE A 63 4.125 -2.722 -1.768 1.00 0.00 C ATOM 0 H ILE A 63 4.549 -5.598 1.087 1.00 0.00 H new ATOM 0 HA ILE A 63 3.131 -3.330 2.094 1.00 0.00 H new ATOM 0 HB ILE A 63 2.931 -4.925 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.383 -2.377 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.106 -3.868 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.748 -2.935 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.833 -3.673 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.777 -2.190 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.031 -2.179 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.999 -3.573 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.265 -2.059 -1.859 1.00 0.00 H new ATOM 986 N GLU A 64 1.355 -6.081 1.684 1.00 0.00 N ATOM 987 CA GLU A 64 0.039 -6.670 2.051 1.00 0.00 C ATOM 988 C GLU A 64 -0.117 -6.649 3.565 1.00 0.00 C ATOM 989 O GLU A 64 -1.121 -6.213 4.086 1.00 0.00 O ATOM 990 CB GLU A 64 -0.051 -8.108 1.538 1.00 0.00 C ATOM 991 CG GLU A 64 -1.516 -8.464 1.280 1.00 0.00 C ATOM 992 CD GLU A 64 -1.601 -9.861 0.663 1.00 0.00 C ATOM 993 OE1 GLU A 64 -0.653 -10.256 0.006 1.00 0.00 O ATOM 994 OE2 GLU A 64 -2.615 -10.513 0.858 1.00 0.00 O ATOM 0 H GLU A 64 2.010 -6.719 1.232 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.759 -6.084 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.528 -8.216 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.378 -8.794 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.079 -8.432 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.967 -7.731 0.611 1.00 0.00 H new ATOM 1001 N GLY A 65 0.871 -7.098 4.281 1.00 0.00 N ATOM 1002 CA GLY A 65 0.769 -7.075 5.755 1.00 0.00 C ATOM 1003 C GLY A 65 0.766 -5.618 6.225 1.00 0.00 C ATOM 1004 O GLY A 65 0.560 -5.332 7.388 1.00 0.00 O ATOM 0 H GLY A 65 1.741 -7.478 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.142 -7.578 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.606 -7.614 6.200 1.00 0.00 H new ATOM 1008 N THR A 66 0.994 -4.691 5.326 1.00 0.00 N ATOM 1009 CA THR A 66 1.005 -3.256 5.725 1.00 0.00 C ATOM 1010 C THR A 66 -0.418 -2.697 5.657 1.00 0.00 C ATOM 1011 O THR A 66 -0.892 -2.075 6.587 1.00 0.00 O ATOM 1012 CB THR A 66 1.916 -2.465 4.777 1.00 0.00 C ATOM 1013 OG1 THR A 66 3.274 -2.762 5.073 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.667 -0.965 4.960 1.00 0.00 C ATOM 0 H THR A 66 1.172 -4.869 4.338 1.00 0.00 H new ATOM 0 HA THR A 66 1.381 -3.165 6.744 1.00 0.00 H new ATOM 0 HB THR A 66 1.699 -2.743 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.485 -3.669 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.315 -0.404 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.625 -0.739 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.884 -0.683 5.990 1.00 0.00 H new ATOM 1022 N ALA A 67 -1.105 -2.912 4.568 1.00 0.00 N ATOM 1023 CA ALA A 67 -2.495 -2.388 4.457 1.00 0.00 C ATOM 1024 C ALA A 67 -3.416 -3.195 5.373 1.00 0.00 C ATOM 1025 O ALA A 67 -4.331 -2.668 5.972 1.00 0.00 O ATOM 1026 CB ALA A 67 -2.977 -2.515 3.010 1.00 0.00 C ATOM 0 H ALA A 67 -0.766 -3.425 3.755 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.512 -1.339 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.994 -2.131 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.320 -1.941 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.960 -3.563 2.712 1.00 0.00 H new ATOM 1032 N ARG A 68 -3.179 -4.473 5.482 1.00 0.00 N ATOM 1033 CA ARG A 68 -4.037 -5.325 6.352 1.00 0.00 C ATOM 1034 C ARG A 68 -3.885 -4.897 7.813 1.00 0.00 C ATOM 1035 O ARG A 68 -4.842 -4.531 8.466 1.00 0.00 O ATOM 1036 CB ARG A 68 -3.607 -6.785 6.206 1.00 0.00 C ATOM 1037 CG ARG A 68 -4.830 -7.695 6.328 1.00 0.00 C ATOM 1038 CD ARG A 68 -4.490 -8.885 7.226 1.00 0.00 C ATOM 1039 NE ARG A 68 -4.086 -8.390 8.573 1.00 0.00 N ATOM 1040 CZ ARG A 68 -4.810 -8.681 9.619 1.00 0.00 C ATOM 1041 NH1 ARG A 68 -4.838 -9.904 10.073 1.00 0.00 N ATOM 1042 NH2 ARG A 68 -5.504 -7.749 10.212 1.00 0.00 N ATOM 0 H ARG A 68 -2.425 -4.966 5.004 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.079 -5.213 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.123 -6.937 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.875 -7.038 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.670 -7.139 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.136 -8.045 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.352 -9.547 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.683 -9.469 6.784 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.244 -7.824 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.294 -10.632 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.404 -10.132 10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.481 -6.793 9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.070 -7.977 11.030 1.00 0.00 H new ATOM 1056 N SER A 69 -2.690 -4.951 8.335 1.00 0.00 N ATOM 1057 CA SER A 69 -2.479 -4.560 9.755 1.00 0.00 C ATOM 1058 C SER A 69 -2.904 -3.108 9.967 1.00 0.00 C ATOM 1059 O SER A 69 -3.674 -2.802 10.855 1.00 0.00 O ATOM 1060 CB SER A 69 -1.001 -4.722 10.105 1.00 0.00 C ATOM 1061 OG SER A 69 -0.368 -3.448 10.092 1.00 0.00 O ATOM 0 H SER A 69 -1.851 -5.249 7.838 1.00 0.00 H new ATOM 0 HA SER A 69 -3.081 -5.200 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.897 -5.181 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.518 -5.387 9.390 1.00 0.00 H new ATOM 0 HG SER A 69 0.580 -3.551 10.318 1.00 0.00 H new ATOM 1067 N MET A 70 -2.412 -2.212 9.163 1.00 0.00 N ATOM 1068 CA MET A 70 -2.789 -0.790 9.322 1.00 0.00 C ATOM 1069 C MET A 70 -4.306 -0.682 9.483 1.00 0.00 C ATOM 1070 O MET A 70 -4.807 -0.351 10.539 1.00 0.00 O ATOM 1071 CB MET A 70 -2.347 -0.027 8.077 1.00 0.00 C ATOM 1072 CG MET A 70 -0.883 0.359 8.211 1.00 0.00 C ATOM 1073 SD MET A 70 -0.708 2.152 8.038 1.00 0.00 S ATOM 1074 CE MET A 70 1.011 2.263 8.591 1.00 0.00 C ATOM 0 H MET A 70 -1.763 -2.407 8.401 1.00 0.00 H new ATOM 0 HA MET A 70 -2.307 -0.369 10.204 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.492 -0.643 7.190 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.959 0.866 7.948 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.499 0.038 9.179 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.292 -0.149 7.449 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.335 3.303 8.564 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.091 1.884 9.610 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.644 1.668 7.932 1.00 0.00 H new ATOM 1084 N GLY A 71 -5.041 -0.963 8.443 1.00 0.00 N ATOM 1085 CA GLY A 71 -6.527 -0.878 8.534 1.00 0.00 C ATOM 1086 C GLY A 71 -7.162 -1.661 7.384 1.00 0.00 C ATOM 1087 O GLY A 71 -7.475 -2.829 7.512 1.00 0.00 O ATOM 0 H GLY A 71 -4.678 -1.248 7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.866 -1.279 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.844 0.164 8.495 1.00 0.00 H new ATOM 1091 N ILE A 72 -7.356 -1.012 6.264 1.00 0.00 N ATOM 1092 CA ILE A 72 -7.975 -1.684 5.082 1.00 0.00 C ATOM 1093 C ILE A 72 -7.511 -3.138 4.996 1.00 0.00 C ATOM 1094 O ILE A 72 -6.440 -3.487 5.446 1.00 0.00 O ATOM 1095 CB ILE A 72 -7.558 -0.935 3.812 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -7.909 -1.776 2.566 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -6.056 -0.640 3.861 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -6.760 -2.725 2.184 1.00 0.00 C ATOM 0 H ILE A 72 -7.109 -0.033 6.117 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.060 -1.670 5.185 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.099 0.010 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.812 -2.355 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.129 -1.114 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.760 -0.107 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.834 -0.026 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.503 -1.577 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.042 -3.301 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.865 -2.143 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.558 -3.404 3.012 1.00 0.00 H new ATOM 1110 N VAL A 73 -8.311 -3.986 4.411 1.00 0.00 N ATOM 1111 CA VAL A 73 -7.920 -5.419 4.281 1.00 0.00 C ATOM 1112 C VAL A 73 -7.698 -5.739 2.803 1.00 0.00 C ATOM 1113 O VAL A 73 -8.092 -4.989 1.932 1.00 0.00 O ATOM 1114 CB VAL A 73 -9.018 -6.333 4.836 1.00 0.00 C ATOM 1115 CG1 VAL A 73 -8.455 -7.153 5.998 1.00 0.00 C ATOM 1116 CG2 VAL A 73 -10.208 -5.505 5.334 1.00 0.00 C ATOM 0 H VAL A 73 -9.221 -3.748 4.016 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.005 -5.589 4.849 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.358 -6.995 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.234 -7.804 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.620 -7.759 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.109 -6.481 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.977 -6.172 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.877 -4.831 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.617 -4.923 4.508 1.00 0.00 H new ATOM 1126 N VAL A 74 -7.065 -6.839 2.509 1.00 0.00 N ATOM 1127 CA VAL A 74 -6.814 -7.194 1.091 1.00 0.00 C ATOM 1128 C VAL A 74 -7.642 -8.424 0.713 1.00 0.00 C ATOM 1129 O VAL A 74 -8.442 -8.909 1.488 1.00 0.00 O ATOM 1130 CB VAL A 74 -5.330 -7.505 0.909 1.00 0.00 C ATOM 1131 CG1 VAL A 74 -4.576 -6.219 0.566 1.00 0.00 C ATOM 1132 CG2 VAL A 74 -4.763 -8.098 2.202 1.00 0.00 C ATOM 0 H VAL A 74 -6.711 -7.507 3.193 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.098 -6.359 0.450 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.211 -8.225 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.517 -6.442 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.974 -5.799 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.699 -5.499 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.704 -8.318 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.884 -7.382 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.297 -9.017 2.446 1.00 0.00 H new ATOM 1142 N GLU A 75 -7.454 -8.934 -0.473 1.00 0.00 N ATOM 1143 CA GLU A 75 -8.226 -10.134 -0.901 1.00 0.00 C ATOM 1144 C GLU A 75 -7.327 -11.037 -1.748 1.00 0.00 C ATOM 1145 O GLU A 75 -6.418 -10.578 -2.410 1.00 0.00 O ATOM 1146 CB GLU A 75 -9.438 -9.697 -1.729 1.00 0.00 C ATOM 1147 CG GLU A 75 -8.985 -8.753 -2.844 1.00 0.00 C ATOM 1148 CD GLU A 75 -9.683 -9.133 -4.152 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -9.175 -10.003 -4.840 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -10.713 -8.547 -4.443 1.00 0.00 O ATOM 0 H GLU A 75 -6.798 -8.571 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.569 -10.680 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.933 -10.569 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.167 -9.198 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.221 -7.722 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.903 -8.811 -2.967 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.573 -12.317 -1.730 1.00 0.00 N ATOM 1158 CA ASP A 76 -6.732 -13.248 -2.533 1.00 0.00 C ATOM 1159 C ASP A 76 -7.391 -13.485 -3.893 1.00 0.00 C ATOM 1160 O ASP A 76 -6.682 -13.457 -4.886 1.00 0.00 O ATOM 1161 CB ASP A 76 -6.596 -14.580 -1.791 1.00 0.00 C ATOM 1162 CG ASP A 76 -5.450 -15.389 -2.400 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -4.326 -14.919 -2.346 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -5.716 -16.464 -2.911 1.00 0.00 O ATOM 1165 OXT ASP A 76 -8.594 -13.688 -3.919 1.00 0.00 O ATOM 0 H ASP A 76 -8.320 -12.759 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.744 -12.812 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.407 -14.401 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.527 -15.142 -1.857 1.00 0.00 H new TER 1170 ASP A 76