USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 Single : A 8 SER OG : rot 180:sc= -0.121 USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= 0.182 (180deg=-1.54!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -152:sc= -0.607 (180deg=-1.93!) USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= -0.191 (180deg=-0.7) USER MOD Single : A 24 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.32) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 31 ASN : amide:sc= -1.67 K(o=-1.7,f=-6.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 77:sc= 0.482 USER MOD Single : A 44 GLN : amide:sc= -1.84 K(o=-1.8,f=-8.6!) USER MOD Single : A 49 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.025) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0592 USER MOD Single : A 82 LYS NZ :NH3+ -151:sc= -0.147 (180deg=-0.765) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.376 16.219 -0.382 1.00 0.00 N ATOM 67 CA SER A 8 5.463 15.329 0.328 1.00 0.00 C ATOM 68 C SER A 8 4.184 15.112 -0.473 1.00 0.00 C ATOM 69 O SER A 8 3.082 15.147 0.075 1.00 0.00 O ATOM 70 CB SER A 8 5.126 15.904 1.705 1.00 0.00 C ATOM 71 OG SER A 8 6.151 15.622 2.641 1.00 0.00 O ATOM 0 HA SER A 8 5.958 14.366 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.987 16.982 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.183 15.485 2.057 1.00 0.00 H new ATOM 0 HG SER A 8 5.912 16.002 3.512 1.00 0.00 H new ATOM 77 N ILE A 9 4.338 14.886 -1.773 1.00 0.00 N ATOM 78 CA ILE A 9 3.197 14.662 -2.650 1.00 0.00 C ATOM 79 C ILE A 9 3.391 13.410 -3.497 1.00 0.00 C ATOM 80 O ILE A 9 2.537 12.523 -3.521 1.00 0.00 O ATOM 81 CB ILE A 9 2.956 15.865 -3.581 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.711 17.132 -2.760 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.780 15.592 -4.508 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.432 17.091 -1.952 1.00 0.00 C ATOM 0 H ILE A 9 5.243 14.853 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 9 2.327 14.531 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 9 3.846 16.016 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.553 17.286 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.680 17.990 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.623 16.452 -5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.991 14.711 -5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.882 15.417 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.323 18.022 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.582 16.968 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.468 16.254 -1.255 1.00 0.00 H new ATOM 96 N LEU A 10 4.523 13.341 -4.190 1.00 0.00 N ATOM 97 CA LEU A 10 4.833 12.195 -5.038 1.00 0.00 C ATOM 98 C LEU A 10 5.093 10.949 -4.196 1.00 0.00 C ATOM 99 O LEU A 10 4.574 9.872 -4.486 1.00 0.00 O ATOM 100 CB LEU A 10 6.051 12.498 -5.913 1.00 0.00 C ATOM 101 CG LEU A 10 5.794 13.369 -7.142 1.00 0.00 C ATOM 102 CD1 LEU A 10 5.963 14.841 -6.799 1.00 0.00 C ATOM 103 CD2 LEU A 10 6.724 12.975 -8.280 1.00 0.00 C ATOM 0 H LEU A 10 5.241 14.065 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 10 3.972 12.004 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.804 12.989 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.479 11.552 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 10 4.766 13.209 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.776 15.445 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.255 15.116 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.979 15.018 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.526 13.606 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.759 13.105 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.553 11.931 -8.545 1.00 0.00 H new ATOM 115 N LYS A 11 5.900 11.106 -3.153 1.00 0.00 N ATOM 116 CA LYS A 11 6.228 9.996 -2.265 1.00 0.00 C ATOM 117 C LYS A 11 4.981 9.189 -1.921 1.00 0.00 C ATOM 118 O LYS A 11 5.004 7.958 -1.933 1.00 0.00 O ATOM 119 CB LYS A 11 6.881 10.517 -0.984 1.00 0.00 C ATOM 120 CG LYS A 11 7.867 9.541 -0.364 1.00 0.00 C ATOM 121 CD LYS A 11 8.719 10.210 0.702 1.00 0.00 C ATOM 122 CE LYS A 11 9.964 10.846 0.102 1.00 0.00 C ATOM 123 NZ LYS A 11 11.100 9.885 0.036 1.00 0.00 N ATOM 0 H LYS A 11 6.340 11.991 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 11 6.930 9.343 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.397 11.452 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.102 10.746 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.324 8.704 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.511 9.130 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.131 10.971 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.010 9.474 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.738 11.211 -0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.254 11.711 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.821 10.151 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.755 8.926 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.518 9.906 -0.916 1.00 0.00 H new ATOM 137 N ILE A 12 3.893 9.888 -1.616 1.00 0.00 N ATOM 138 CA ILE A 12 2.637 9.236 -1.270 1.00 0.00 C ATOM 139 C ILE A 12 1.964 8.650 -2.507 1.00 0.00 C ATOM 140 O ILE A 12 1.440 7.537 -2.471 1.00 0.00 O ATOM 141 CB ILE A 12 1.664 10.213 -0.585 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.265 10.733 0.723 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.326 9.537 -0.328 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.671 12.046 1.181 1.00 0.00 C ATOM 0 H ILE A 12 3.857 10.907 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 12 2.880 8.432 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 12 1.498 11.061 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.119 9.986 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.341 10.855 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.350 10.241 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.106 9.213 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.474 8.672 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.144 12.354 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.840 12.807 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.600 11.925 1.341 1.00 0.00 H new ATOM 156 N GLU A 13 1.985 9.406 -3.600 1.00 0.00 N ATOM 157 CA GLU A 13 1.378 8.961 -4.848 1.00 0.00 C ATOM 158 C GLU A 13 1.877 7.569 -5.230 1.00 0.00 C ATOM 159 O GLU A 13 1.099 6.712 -5.651 1.00 0.00 O ATOM 160 CB GLU A 13 1.685 9.951 -5.973 1.00 0.00 C ATOM 161 CG GLU A 13 0.710 11.114 -6.043 1.00 0.00 C ATOM 162 CD GLU A 13 -0.499 10.812 -6.907 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.439 10.161 -6.405 1.00 0.00 O ATOM 164 OE2 GLU A 13 -0.504 11.226 -8.085 1.00 0.00 O ATOM 0 H GLU A 13 2.416 10.329 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 13 0.299 8.914 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.694 10.341 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.674 9.421 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.378 11.366 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.224 11.991 -6.438 1.00 0.00 H new ATOM 171 N LYS A 14 3.179 7.353 -5.081 1.00 0.00 N ATOM 172 CA LYS A 14 3.784 6.068 -5.408 1.00 0.00 C ATOM 173 C LYS A 14 3.207 4.957 -4.536 1.00 0.00 C ATOM 174 O LYS A 14 2.800 3.909 -5.037 1.00 0.00 O ATOM 175 CB LYS A 14 5.302 6.135 -5.228 1.00 0.00 C ATOM 176 CG LYS A 14 5.985 7.101 -6.180 1.00 0.00 C ATOM 177 CD LYS A 14 7.499 7.016 -6.070 1.00 0.00 C ATOM 178 CE LYS A 14 8.179 7.552 -7.320 1.00 0.00 C ATOM 179 NZ LYS A 14 8.153 9.041 -7.371 1.00 0.00 N ATOM 0 H LYS A 14 3.836 8.052 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 14 3.557 5.843 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.525 6.430 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.721 5.139 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.681 6.881 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.660 8.118 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.834 7.582 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.796 5.980 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.212 7.206 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.684 7.150 -8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.626 9.367 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.167 9.371 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.648 9.425 -6.541 1.00 0.00 H new ATOM 193 N VAL A 15 3.173 5.194 -3.229 1.00 0.00 N ATOM 194 CA VAL A 15 2.643 4.214 -2.287 1.00 0.00 C ATOM 195 C VAL A 15 1.305 3.661 -2.765 1.00 0.00 C ATOM 196 O VAL A 15 1.016 2.476 -2.601 1.00 0.00 O ATOM 197 CB VAL A 15 2.463 4.824 -0.884 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.875 3.799 0.072 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.788 5.356 -0.361 1.00 0.00 C ATOM 0 H VAL A 15 3.506 6.056 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 15 3.369 3.403 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 15 1.766 5.659 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.755 4.248 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.904 3.471 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.544 2.942 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.642 5.783 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.510 4.541 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.163 6.125 -1.036 1.00 0.00 H new ATOM 209 N LEU A 16 0.491 4.528 -3.358 1.00 0.00 N ATOM 210 CA LEU A 16 -0.819 4.126 -3.861 1.00 0.00 C ATOM 211 C LEU A 16 -0.694 3.454 -5.224 1.00 0.00 C ATOM 212 O LEU A 16 -1.208 2.354 -5.436 1.00 0.00 O ATOM 213 CB LEU A 16 -1.742 5.342 -3.961 1.00 0.00 C ATOM 214 CG LEU A 16 -1.988 6.107 -2.660 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.717 7.412 -2.938 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.776 5.252 -1.678 1.00 0.00 C ATOM 0 H LEU A 16 0.714 5.513 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.247 3.409 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.321 6.033 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.704 5.011 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.023 6.342 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.883 7.943 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.115 8.031 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.676 7.199 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.941 5.813 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.737 4.985 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.215 4.345 -1.454 1.00 0.00 H new ATOM 228 N LYS A 17 -0.010 4.120 -6.147 1.00 0.00 N ATOM 229 CA LYS A 17 0.185 3.586 -7.491 1.00 0.00 C ATOM 230 C LYS A 17 0.498 2.094 -7.442 1.00 0.00 C ATOM 231 O LYS A 17 -0.107 1.301 -8.163 1.00 0.00 O ATOM 232 CB LYS A 17 1.318 4.333 -8.197 1.00 0.00 C ATOM 233 CG LYS A 17 1.023 5.805 -8.432 1.00 0.00 C ATOM 234 CD LYS A 17 0.369 6.035 -9.784 1.00 0.00 C ATOM 235 CE LYS A 17 -1.148 6.033 -9.676 1.00 0.00 C ATOM 236 NZ LYS A 17 -1.793 5.527 -10.919 1.00 0.00 N ATOM 0 H LYS A 17 0.420 5.032 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.740 3.727 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.227 4.244 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.516 3.853 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.369 6.176 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.949 6.376 -8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.704 6.987 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.686 5.258 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.451 5.413 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.499 7.045 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.827 5.542 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.525 6.133 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.479 4.553 -11.101 1.00 0.00 H new ATOM 250 N ARG A 18 1.445 1.720 -6.589 1.00 0.00 N ATOM 251 CA ARG A 18 1.837 0.322 -6.447 1.00 0.00 C ATOM 252 C ARG A 18 0.788 -0.459 -5.662 1.00 0.00 C ATOM 253 O ARG A 18 0.649 -1.671 -5.829 1.00 0.00 O ATOM 254 CB ARG A 18 3.193 0.220 -5.749 1.00 0.00 C ATOM 255 CG ARG A 18 4.377 0.344 -6.695 1.00 0.00 C ATOM 256 CD ARG A 18 4.332 -0.715 -7.785 1.00 0.00 C ATOM 257 NE ARG A 18 5.635 -0.905 -8.417 1.00 0.00 N ATOM 258 CZ ARG A 18 6.166 -0.046 -9.280 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.510 1.058 -9.611 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.357 -0.289 -9.813 1.00 0.00 N ATOM 0 H ARG A 18 1.955 2.365 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 18 1.916 -0.111 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.261 1.000 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.253 -0.736 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.379 1.335 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.306 0.249 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.994 -1.660 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.601 -0.427 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 18 6.167 -1.743 -8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.595 1.249 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.920 1.716 -10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.866 -1.136 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.764 0.371 -10.476 1.00 0.00 H new ATOM 274 N MET A 19 0.052 0.242 -4.806 1.00 0.00 N ATOM 275 CA MET A 19 -0.984 -0.387 -3.996 1.00 0.00 C ATOM 276 C MET A 19 -2.091 -0.958 -4.876 1.00 0.00 C ATOM 277 O MET A 19 -2.680 -1.990 -4.556 1.00 0.00 O ATOM 278 CB MET A 19 -1.572 0.623 -3.007 1.00 0.00 C ATOM 279 CG MET A 19 -2.695 0.056 -2.154 1.00 0.00 C ATOM 280 SD MET A 19 -4.269 -0.010 -3.031 1.00 0.00 S ATOM 281 CE MET A 19 -4.410 1.682 -3.600 1.00 0.00 C ATOM 0 H MET A 19 0.154 1.246 -4.655 1.00 0.00 H new ATOM 0 HA MET A 19 -0.528 -1.206 -3.440 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.778 0.984 -2.354 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.946 1.485 -3.560 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.425 -0.947 -1.825 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.808 0.666 -1.258 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.463 1.945 -3.703 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.938 2.349 -2.878 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.915 1.784 -4.566 1.00 0.00 H new ATOM 291 N ARG A 20 -2.368 -0.280 -5.984 1.00 0.00 N ATOM 292 CA ARG A 20 -3.405 -0.720 -6.910 1.00 0.00 C ATOM 293 C ARG A 20 -2.827 -1.650 -7.973 1.00 0.00 C ATOM 294 O ARG A 20 -3.501 -2.567 -8.442 1.00 0.00 O ATOM 295 CB ARG A 20 -4.067 0.486 -7.578 1.00 0.00 C ATOM 296 CG ARG A 20 -3.094 1.368 -8.345 1.00 0.00 C ATOM 297 CD ARG A 20 -3.812 2.225 -9.375 1.00 0.00 C ATOM 298 NE ARG A 20 -4.136 1.473 -10.584 1.00 0.00 N ATOM 299 CZ ARG A 20 -3.257 1.217 -11.548 1.00 0.00 C ATOM 300 NH1 ARG A 20 -2.009 1.651 -11.444 1.00 0.00 N ATOM 301 NH2 ARG A 20 -3.627 0.526 -12.618 1.00 0.00 N ATOM 0 H ARG A 20 -1.889 0.576 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.155 -1.269 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.840 0.134 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.564 1.086 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.556 2.010 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.351 0.745 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.728 2.623 -8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.186 3.078 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.088 1.125 -10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.721 2.183 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.337 1.453 -12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.587 0.191 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.952 0.330 -13.357 1.00 0.00 H new ATOM 315 N GLU A 21 -1.576 -1.405 -8.348 1.00 0.00 N ATOM 316 CA GLU A 21 -0.908 -2.220 -9.357 1.00 0.00 C ATOM 317 C GLU A 21 -0.696 -3.645 -8.851 1.00 0.00 C ATOM 318 O GLU A 21 -1.000 -4.613 -9.547 1.00 0.00 O ATOM 319 CB GLU A 21 0.436 -1.598 -9.740 1.00 0.00 C ATOM 320 CG GLU A 21 0.345 -0.614 -10.894 1.00 0.00 C ATOM 321 CD GLU A 21 1.600 0.220 -11.051 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.230 0.544 -10.023 1.00 0.00 O ATOM 323 OE2 GLU A 21 1.954 0.549 -12.204 1.00 0.00 O ATOM 0 H GLU A 21 -1.005 -0.650 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.547 -2.257 -10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.852 -1.088 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.132 -2.393 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.159 -1.161 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.508 0.046 -10.737 1.00 0.00 H new ATOM 330 N ILE A 22 -0.171 -3.763 -7.636 1.00 0.00 N ATOM 331 CA ILE A 22 0.082 -5.068 -7.037 1.00 0.00 C ATOM 332 C ILE A 22 -1.207 -5.873 -6.909 1.00 0.00 C ATOM 333 O ILE A 22 -1.237 -7.068 -7.202 1.00 0.00 O ATOM 334 CB ILE A 22 0.730 -4.933 -5.646 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.143 -4.361 -5.771 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.759 -6.281 -4.943 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.620 -3.650 -4.523 1.00 0.00 C ATOM 0 H ILE A 22 0.087 -2.971 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 22 0.771 -5.592 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 22 0.132 -4.246 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.835 -5.170 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.172 -3.665 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.220 -6.170 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.259 -6.652 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.337 -6.989 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.629 -3.270 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.951 -2.819 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.624 -4.348 -3.686 1.00 0.00 H new ATOM 349 N LYS A 23 -2.272 -5.210 -6.472 1.00 0.00 N ATOM 350 CA LYS A 23 -3.566 -5.862 -6.309 1.00 0.00 C ATOM 351 C LYS A 23 -3.959 -6.617 -7.573 1.00 0.00 C ATOM 352 O LYS A 23 -4.031 -7.845 -7.577 1.00 0.00 O ATOM 353 CB LYS A 23 -4.641 -4.827 -5.965 1.00 0.00 C ATOM 354 CG LYS A 23 -6.028 -5.424 -5.800 1.00 0.00 C ATOM 355 CD LYS A 23 -7.107 -4.359 -5.891 1.00 0.00 C ATOM 356 CE LYS A 23 -7.361 -3.705 -4.542 1.00 0.00 C ATOM 357 NZ LYS A 23 -6.426 -2.572 -4.291 1.00 0.00 N ATOM 0 H LYS A 23 -2.265 -4.221 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.483 -6.578 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.362 -4.318 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.671 -4.071 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.194 -6.178 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.095 -5.930 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.810 -3.600 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.030 -4.806 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.389 -3.344 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.252 -4.448 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.097 -2.605 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.610 -2.647 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.918 -1.672 -4.461 1.00 0.00 H new ATOM 371 N ASN A 24 -4.209 -5.875 -8.647 1.00 0.00 N ATOM 372 CA ASN A 24 -4.593 -6.476 -9.919 1.00 0.00 C ATOM 373 C ASN A 24 -3.746 -7.709 -10.216 1.00 0.00 C ATOM 374 O ASN A 24 -4.275 -8.798 -10.437 1.00 0.00 O ATOM 375 CB ASN A 24 -4.448 -5.459 -11.052 1.00 0.00 C ATOM 376 CG ASN A 24 -5.308 -5.802 -12.253 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.489 -6.124 -12.112 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.720 -5.737 -13.442 1.00 0.00 N ATOM 0 H ASN A 24 -4.153 -4.857 -8.662 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.636 -6.783 -9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.720 -4.469 -10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.403 -5.409 -11.359 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.249 -5.958 -14.285 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.739 -5.466 -13.512 1.00 0.00 H new ATOM 385 N GLU A 25 -2.430 -7.529 -10.218 1.00 0.00 N ATOM 386 CA GLU A 25 -1.510 -8.628 -10.489 1.00 0.00 C ATOM 387 C GLU A 25 -1.910 -9.877 -9.709 1.00 0.00 C ATOM 388 O GLU A 25 -1.848 -10.993 -10.228 1.00 0.00 O ATOM 389 CB GLU A 25 -0.078 -8.225 -10.126 1.00 0.00 C ATOM 390 CG GLU A 25 0.981 -9.139 -10.720 1.00 0.00 C ATOM 391 CD GLU A 25 2.388 -8.615 -10.508 1.00 0.00 C ATOM 392 OE1 GLU A 25 2.871 -8.668 -9.358 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.006 -8.156 -11.491 1.00 0.00 O ATOM 0 H GLU A 25 -1.976 -6.634 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.558 -8.854 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.101 -7.205 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.025 -8.221 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.894 -10.129 -10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.798 -9.256 -11.788 1.00 0.00 H new ATOM 400 N LEU A 26 -2.321 -9.682 -8.461 1.00 0.00 N ATOM 401 CA LEU A 26 -2.732 -10.792 -7.608 1.00 0.00 C ATOM 402 C LEU A 26 -4.132 -11.274 -7.979 1.00 0.00 C ATOM 403 O LEU A 26 -4.403 -12.475 -7.993 1.00 0.00 O ATOM 404 CB LEU A 26 -2.697 -10.373 -6.138 1.00 0.00 C ATOM 405 CG LEU A 26 -3.536 -11.217 -5.179 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.012 -12.643 -5.125 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.544 -10.596 -3.789 1.00 0.00 C ATOM 0 H LEU A 26 -2.379 -8.766 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.032 -11.614 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.661 -10.396 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.032 -9.338 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.561 -11.242 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.622 -13.229 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.060 -13.086 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.978 -12.638 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.146 -11.210 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.524 -10.539 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.968 -9.593 -3.841 1.00 0.00 H new ATOM 419 N LEU A 27 -5.016 -10.329 -8.280 1.00 0.00 N ATOM 420 CA LEU A 27 -6.388 -10.656 -8.652 1.00 0.00 C ATOM 421 C LEU A 27 -6.420 -11.520 -9.909 1.00 0.00 C ATOM 422 O LEU A 27 -7.222 -12.448 -10.015 1.00 0.00 O ATOM 423 CB LEU A 27 -7.194 -9.377 -8.879 1.00 0.00 C ATOM 424 CG LEU A 27 -7.552 -8.576 -7.625 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.244 -7.276 -8.001 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.430 -9.403 -6.698 1.00 0.00 C ATOM 0 H LEU A 27 -4.807 -9.331 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.836 -11.220 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.629 -8.730 -9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.118 -9.640 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.630 -8.332 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.491 -6.720 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.580 -6.678 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.158 -7.497 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.675 -8.818 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.348 -9.678 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.896 -10.306 -6.401 1.00 0.00 H new ATOM 438 N GLN A 28 -5.540 -11.210 -10.856 1.00 0.00 N ATOM 439 CA GLN A 28 -5.467 -11.960 -12.104 1.00 0.00 C ATOM 440 C GLN A 28 -4.656 -13.239 -11.925 1.00 0.00 C ATOM 441 O GLN A 28 -4.912 -14.246 -12.585 1.00 0.00 O ATOM 442 CB GLN A 28 -4.846 -11.098 -13.206 1.00 0.00 C ATOM 443 CG GLN A 28 -3.416 -10.674 -12.913 1.00 0.00 C ATOM 444 CD GLN A 28 -2.737 -10.045 -14.113 1.00 0.00 C ATOM 445 OE1 GLN A 28 -2.021 -10.714 -14.858 1.00 0.00 O ATOM 446 NE2 GLN A 28 -2.958 -8.749 -14.306 1.00 0.00 N ATOM 0 H GLN A 28 -4.869 -10.446 -10.783 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.482 -12.233 -12.394 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.867 -11.652 -14.144 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.458 -10.208 -13.348 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.414 -9.964 -12.086 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.842 -11.543 -12.590 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.559 -8.233 -13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.527 -8.270 -15.097 1.00 0.00 H new ATOM 455 N ALA A 29 -3.676 -13.191 -11.027 1.00 0.00 N ATOM 456 CA ALA A 29 -2.829 -14.346 -10.760 1.00 0.00 C ATOM 457 C ALA A 29 -3.667 -15.591 -10.484 1.00 0.00 C ATOM 458 O ALA A 29 -4.579 -15.564 -9.658 1.00 0.00 O ATOM 459 CB ALA A 29 -1.903 -14.061 -9.587 1.00 0.00 C ATOM 0 H ALA A 29 -3.450 -12.365 -10.473 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.226 -14.536 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.276 -14.932 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.272 -13.204 -9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.497 -13.842 -8.699 1.00 0.00 H new ATOM 465 N GLN A 30 -3.352 -16.677 -11.182 1.00 0.00 N ATOM 466 CA GLN A 30 -4.077 -17.930 -11.012 1.00 0.00 C ATOM 467 C GLN A 30 -3.728 -18.585 -9.680 1.00 0.00 C ATOM 468 O GLN A 30 -4.599 -18.806 -8.840 1.00 0.00 O ATOM 469 CB GLN A 30 -3.761 -18.887 -12.163 1.00 0.00 C ATOM 470 CG GLN A 30 -4.877 -19.876 -12.455 1.00 0.00 C ATOM 471 CD GLN A 30 -4.455 -20.961 -13.427 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.870 -20.681 -14.473 1.00 0.00 O ATOM 473 NE2 GLN A 30 -4.752 -22.210 -13.085 1.00 0.00 N ATOM 0 H GLN A 30 -2.600 -16.714 -11.870 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.144 -17.706 -11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.557 -18.306 -13.062 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.851 -19.438 -11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.203 -20.336 -11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.734 -19.341 -12.863 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.238 -22.397 -12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.494 -22.982 -13.699 1.00 0.00 H new ATOM 482 N ASN A 31 -2.449 -18.894 -9.495 1.00 0.00 N ATOM 483 CA ASN A 31 -1.985 -19.525 -8.265 1.00 0.00 C ATOM 484 C ASN A 31 -1.054 -18.594 -7.493 1.00 0.00 C ATOM 485 O ASN A 31 0.168 -18.746 -7.507 1.00 0.00 O ATOM 486 CB ASN A 31 -1.264 -20.837 -8.580 1.00 0.00 C ATOM 487 CG ASN A 31 -0.015 -20.625 -9.414 1.00 0.00 C ATOM 488 OD1 ASN A 31 0.280 -19.507 -9.836 1.00 0.00 O ATOM 489 ND2 ASN A 31 0.725 -21.701 -9.654 1.00 0.00 N ATOM 0 H ASN A 31 -1.715 -18.718 -10.181 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.856 -19.736 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.995 -21.333 -7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.944 -21.503 -9.111 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.577 -21.621 -10.209 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.441 -22.608 -9.284 1.00 0.00 H new ATOM 496 N PRO A 32 -1.644 -17.607 -6.802 1.00 0.00 N ATOM 497 CA PRO A 32 -0.887 -16.633 -6.011 1.00 0.00 C ATOM 498 C PRO A 32 -0.258 -17.258 -4.771 1.00 0.00 C ATOM 499 O PRO A 32 0.368 -16.567 -3.966 1.00 0.00 O ATOM 500 CB PRO A 32 -1.945 -15.601 -5.612 1.00 0.00 C ATOM 501 CG PRO A 32 -3.233 -16.349 -5.643 1.00 0.00 C ATOM 502 CD PRO A 32 -3.095 -17.367 -6.741 1.00 0.00 C ATOM 0 HA PRO A 32 -0.052 -16.213 -6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.747 -15.194 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.959 -14.760 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.427 -16.832 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.070 -15.678 -5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.644 -18.281 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.480 -16.991 -7.689 1.00 0.00 H new ATOM 510 N SER A 33 -0.427 -18.567 -4.622 1.00 0.00 N ATOM 511 CA SER A 33 0.123 -19.285 -3.478 1.00 0.00 C ATOM 512 C SER A 33 1.454 -18.679 -3.045 1.00 0.00 C ATOM 513 O SER A 33 1.675 -18.420 -1.862 1.00 0.00 O ATOM 514 CB SER A 33 0.308 -20.765 -3.818 1.00 0.00 C ATOM 515 OG SER A 33 -0.938 -21.389 -4.076 1.00 0.00 O ATOM 0 H SER A 33 -0.941 -19.153 -5.280 1.00 0.00 H new ATOM 0 HA SER A 33 -0.582 -19.196 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.955 -20.863 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.808 -21.271 -2.992 1.00 0.00 H new ATOM 0 HG SER A 33 -0.792 -22.334 -4.292 1.00 0.00 H new ATOM 521 N GLU A 34 2.338 -18.456 -4.013 1.00 0.00 N ATOM 522 CA GLU A 34 3.649 -17.882 -3.733 1.00 0.00 C ATOM 523 C GLU A 34 3.571 -16.361 -3.657 1.00 0.00 C ATOM 524 O GLU A 34 4.191 -15.737 -2.794 1.00 0.00 O ATOM 525 CB GLU A 34 4.654 -18.300 -4.808 1.00 0.00 C ATOM 526 CG GLU A 34 5.167 -19.721 -4.641 1.00 0.00 C ATOM 527 CD GLU A 34 4.203 -20.756 -5.189 1.00 0.00 C ATOM 528 OE1 GLU A 34 4.177 -20.950 -6.421 1.00 0.00 O ATOM 529 OE2 GLU A 34 3.476 -21.373 -4.382 1.00 0.00 O ATOM 0 H GLU A 34 2.170 -18.664 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 34 3.984 -18.260 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.186 -18.204 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.500 -17.613 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.127 -19.819 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.344 -19.918 -3.584 1.00 0.00 H new ATOM 536 N LEU A 35 2.806 -15.768 -4.567 1.00 0.00 N ATOM 537 CA LEU A 35 2.647 -14.318 -4.606 1.00 0.00 C ATOM 538 C LEU A 35 2.324 -13.768 -3.220 1.00 0.00 C ATOM 539 O LEU A 35 2.910 -12.778 -2.782 1.00 0.00 O ATOM 540 CB LEU A 35 1.541 -13.933 -5.589 1.00 0.00 C ATOM 541 CG LEU A 35 1.965 -13.782 -7.051 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.748 -13.604 -7.945 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.921 -12.609 -7.211 1.00 0.00 C ATOM 0 H LEU A 35 2.286 -16.269 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 35 3.589 -13.883 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.756 -14.687 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.101 -12.991 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 35 2.483 -14.692 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.070 -13.498 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.099 -14.475 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.201 -12.711 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.212 -12.517 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.428 -11.692 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.809 -12.777 -6.601 1.00 0.00 H new ATOM 555 N TYR A 36 1.390 -14.419 -2.534 1.00 0.00 N ATOM 556 CA TYR A 36 0.990 -13.995 -1.197 1.00 0.00 C ATOM 557 C TYR A 36 2.176 -13.422 -0.429 1.00 0.00 C ATOM 558 O TYR A 36 2.073 -12.369 0.202 1.00 0.00 O ATOM 559 CB TYR A 36 0.389 -15.171 -0.427 1.00 0.00 C ATOM 560 CG TYR A 36 -0.966 -15.604 -0.942 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.060 -14.751 -0.880 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.150 -16.867 -1.492 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.299 -15.143 -1.349 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.384 -17.267 -1.965 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.456 -16.401 -1.890 1.00 0.00 C ATOM 566 OH TYR A 36 -4.688 -16.795 -2.360 1.00 0.00 O ATOM 0 H TYR A 36 0.896 -15.241 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 36 0.237 -13.213 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.075 -16.017 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.298 -14.898 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.940 -13.764 -0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.313 -17.547 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.140 -14.468 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.510 -18.251 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.628 -17.708 -2.710 1.00 0.00 H new ATOM 576 N LEU A 37 3.304 -14.122 -0.488 1.00 0.00 N ATOM 577 CA LEU A 37 4.513 -13.683 0.202 1.00 0.00 C ATOM 578 C LEU A 37 5.016 -12.362 -0.368 1.00 0.00 C ATOM 579 O LEU A 37 5.180 -11.382 0.359 1.00 0.00 O ATOM 580 CB LEU A 37 5.603 -14.750 0.089 1.00 0.00 C ATOM 581 CG LEU A 37 5.227 -16.150 0.575 1.00 0.00 C ATOM 582 CD1 LEU A 37 6.239 -17.175 0.089 1.00 0.00 C ATOM 583 CD2 LEU A 37 5.126 -16.177 2.094 1.00 0.00 C ATOM 0 H LEU A 37 3.407 -14.995 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 37 4.268 -13.533 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.908 -14.820 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.473 -14.413 0.653 1.00 0.00 H new ATOM 0 HG LEU A 37 4.253 -16.408 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.954 -18.165 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.263 -17.174 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.227 -16.922 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.858 -17.181 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.086 -15.898 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.362 -15.472 2.420 1.00 0.00 H new ATOM 595 N SER A 38 5.260 -12.342 -1.675 1.00 0.00 N ATOM 596 CA SER A 38 5.746 -11.140 -2.343 1.00 0.00 C ATOM 597 C SER A 38 4.752 -9.993 -2.189 1.00 0.00 C ATOM 598 O SER A 38 5.082 -8.942 -1.637 1.00 0.00 O ATOM 599 CB SER A 38 5.992 -11.421 -3.827 1.00 0.00 C ATOM 600 OG SER A 38 6.944 -10.520 -4.366 1.00 0.00 O ATOM 0 H SER A 38 5.129 -13.144 -2.292 1.00 0.00 H new ATOM 0 HA SER A 38 6.686 -10.848 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.344 -12.445 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.055 -11.336 -4.377 1.00 0.00 H new ATOM 0 HG SER A 38 7.085 -10.722 -5.315 1.00 0.00 H new ATOM 606 N SER A 39 3.536 -10.202 -2.682 1.00 0.00 N ATOM 607 CA SER A 39 2.494 -9.183 -2.603 1.00 0.00 C ATOM 608 C SER A 39 2.544 -8.458 -1.263 1.00 0.00 C ATOM 609 O SER A 39 2.596 -7.229 -1.209 1.00 0.00 O ATOM 610 CB SER A 39 1.117 -9.818 -2.802 1.00 0.00 C ATOM 611 OG SER A 39 0.214 -8.901 -3.397 1.00 0.00 O ATOM 0 H SER A 39 3.247 -11.066 -3.140 1.00 0.00 H new ATOM 0 HA SER A 39 2.669 -8.456 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.209 -10.703 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.723 -10.149 -1.841 1.00 0.00 H new ATOM 0 HG SER A 39 -0.659 -9.331 -3.515 1.00 0.00 H new ATOM 617 N LYS A 40 2.529 -9.228 -0.180 1.00 0.00 N ATOM 618 CA LYS A 40 2.574 -8.662 1.163 1.00 0.00 C ATOM 619 C LYS A 40 3.850 -7.852 1.370 1.00 0.00 C ATOM 620 O LYS A 40 3.800 -6.651 1.636 1.00 0.00 O ATOM 621 CB LYS A 40 2.486 -9.773 2.211 1.00 0.00 C ATOM 622 CG LYS A 40 1.964 -9.301 3.557 1.00 0.00 C ATOM 623 CD LYS A 40 1.219 -10.407 4.285 1.00 0.00 C ATOM 624 CE LYS A 40 0.857 -9.995 5.704 1.00 0.00 C ATOM 625 NZ LYS A 40 0.702 -11.174 6.601 1.00 0.00 N ATOM 0 H LYS A 40 2.486 -10.247 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 40 1.719 -7.995 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.836 -10.564 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.475 -10.211 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.796 -8.957 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.301 -8.448 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.312 -10.659 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.835 -11.306 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.630 -9.337 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.071 -9.424 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.455 -10.852 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.053 -11.790 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.596 -11.705 6.634 1.00 0.00 H new ATOM 639 N THR A 41 4.995 -8.518 1.245 1.00 0.00 N ATOM 640 CA THR A 41 6.283 -7.860 1.417 1.00 0.00 C ATOM 641 C THR A 41 6.340 -6.547 0.645 1.00 0.00 C ATOM 642 O THR A 41 6.477 -5.476 1.233 1.00 0.00 O ATOM 643 CB THR A 41 7.441 -8.764 0.957 1.00 0.00 C ATOM 644 OG1 THR A 41 7.439 -9.985 1.707 1.00 0.00 O ATOM 645 CG2 THR A 41 8.780 -8.061 1.129 1.00 0.00 C ATOM 0 H THR A 41 5.055 -9.512 1.025 1.00 0.00 H new ATOM 0 HA THR A 41 6.392 -7.655 2.482 1.00 0.00 H new ATOM 0 HB THR A 41 7.298 -8.987 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.727 -10.572 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.582 -8.720 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.791 -7.148 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.927 -7.811 2.180 1.00 0.00 H new ATOM 653 N GLU A 42 6.231 -6.640 -0.677 1.00 0.00 N ATOM 654 CA GLU A 42 6.271 -5.458 -1.531 1.00 0.00 C ATOM 655 C GLU A 42 5.373 -4.356 -0.975 1.00 0.00 C ATOM 656 O GLU A 42 5.806 -3.215 -0.804 1.00 0.00 O ATOM 657 CB GLU A 42 5.836 -5.815 -2.954 1.00 0.00 C ATOM 658 CG GLU A 42 6.104 -4.714 -3.967 1.00 0.00 C ATOM 659 CD GLU A 42 7.583 -4.515 -4.234 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.153 -5.296 -5.024 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.171 -3.578 -3.653 1.00 0.00 O ATOM 0 H GLU A 42 6.114 -7.520 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 42 7.297 -5.091 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.356 -6.720 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.770 -6.044 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.599 -4.955 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.675 -3.780 -3.605 1.00 0.00 H new ATOM 668 N LEU A 43 4.123 -4.704 -0.696 1.00 0.00 N ATOM 669 CA LEU A 43 3.163 -3.745 -0.160 1.00 0.00 C ATOM 670 C LEU A 43 3.719 -3.054 1.081 1.00 0.00 C ATOM 671 O LEU A 43 3.808 -1.828 1.133 1.00 0.00 O ATOM 672 CB LEU A 43 1.846 -4.446 0.179 1.00 0.00 C ATOM 673 CG LEU A 43 0.878 -4.655 -0.985 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.258 -5.579 -0.575 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.333 -3.321 -1.471 1.00 0.00 C ATOM 0 H LEU A 43 3.749 -5.643 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 43 2.978 -2.988 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.077 -5.419 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.337 -3.866 0.949 1.00 0.00 H new ATOM 0 HG LEU A 43 1.422 -5.123 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.937 -5.716 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.149 -6.545 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.801 -5.139 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.354 -3.489 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.195 -2.825 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.157 -2.691 -1.805 1.00 0.00 H new ATOM 687 N GLN A 44 4.093 -3.851 2.078 1.00 0.00 N ATOM 688 CA GLN A 44 4.641 -3.315 3.318 1.00 0.00 C ATOM 689 C GLN A 44 5.708 -2.264 3.032 1.00 0.00 C ATOM 690 O GLN A 44 5.716 -1.193 3.637 1.00 0.00 O ATOM 691 CB GLN A 44 5.234 -4.441 4.166 1.00 0.00 C ATOM 692 CG GLN A 44 4.227 -5.519 4.536 1.00 0.00 C ATOM 693 CD GLN A 44 4.887 -6.838 4.888 1.00 0.00 C ATOM 694 OE1 GLN A 44 4.903 -7.771 4.085 1.00 0.00 O ATOM 695 NE2 GLN A 44 5.435 -6.923 6.094 1.00 0.00 N ATOM 0 H GLN A 44 4.026 -4.868 2.051 1.00 0.00 H new ATOM 0 HA GLN A 44 3.829 -2.842 3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.060 -4.899 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.651 -4.016 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.630 -5.178 5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.541 -5.671 3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.399 -6.125 6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.892 -7.786 6.387 1.00 0.00 H new ATOM 704 N GLY A 45 6.609 -2.577 2.104 1.00 0.00 N ATOM 705 CA GLY A 45 7.667 -1.649 1.755 1.00 0.00 C ATOM 706 C GLY A 45 7.142 -0.265 1.431 1.00 0.00 C ATOM 707 O GLY A 45 7.613 0.731 1.982 1.00 0.00 O ATOM 0 H GLY A 45 6.624 -3.457 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.374 -1.581 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.216 -2.036 0.897 1.00 0.00 H new ATOM 711 N LEU A 46 6.165 -0.199 0.533 1.00 0.00 N ATOM 712 CA LEU A 46 5.574 1.074 0.135 1.00 0.00 C ATOM 713 C LEU A 46 5.201 1.907 1.357 1.00 0.00 C ATOM 714 O LEU A 46 5.631 3.053 1.494 1.00 0.00 O ATOM 715 CB LEU A 46 4.337 0.836 -0.732 1.00 0.00 C ATOM 716 CG LEU A 46 4.590 0.207 -2.103 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.321 -0.444 -2.634 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.103 1.253 -3.083 1.00 0.00 C ATOM 0 H LEU A 46 5.765 -1.013 0.066 1.00 0.00 H new ATOM 0 HA LEU A 46 6.315 1.625 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.650 0.194 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.832 1.791 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 46 5.352 -0.565 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.520 -0.886 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.994 -1.221 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.538 0.309 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.278 0.788 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.363 2.046 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.036 1.675 -2.710 1.00 0.00 H new ATOM 730 N ILE A 47 4.400 1.323 2.242 1.00 0.00 N ATOM 731 CA ILE A 47 3.973 2.010 3.455 1.00 0.00 C ATOM 732 C ILE A 47 5.141 2.727 4.121 1.00 0.00 C ATOM 733 O ILE A 47 5.109 3.942 4.316 1.00 0.00 O ATOM 734 CB ILE A 47 3.341 1.032 4.463 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.148 0.312 3.830 1.00 0.00 C ATOM 736 CG2 ILE A 47 2.913 1.773 5.721 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.576 -0.786 4.698 1.00 0.00 C ATOM 0 H ILE A 47 4.034 0.376 2.142 1.00 0.00 H new ATOM 0 HA ILE A 47 3.224 2.743 3.156 1.00 0.00 H new ATOM 0 HB ILE A 47 4.086 0.286 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.366 1.040 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.456 -0.114 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.468 1.069 6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.783 2.244 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.181 2.538 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.734 -1.253 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.344 -1.535 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.237 -0.363 5.644 1.00 0.00 H new ATOM 749 N GLY A 48 6.175 1.966 4.470 1.00 0.00 N ATOM 750 CA GLY A 48 7.341 2.546 5.110 1.00 0.00 C ATOM 751 C GLY A 48 7.658 3.933 4.590 1.00 0.00 C ATOM 752 O GLY A 48 8.099 4.800 5.344 1.00 0.00 O ATOM 0 H GLY A 48 6.225 0.958 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.175 2.594 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.201 1.896 4.949 1.00 0.00 H new ATOM 756 N GLN A 49 7.435 4.145 3.296 1.00 0.00 N ATOM 757 CA GLN A 49 7.702 5.437 2.676 1.00 0.00 C ATOM 758 C GLN A 49 6.865 6.535 3.323 1.00 0.00 C ATOM 759 O GLN A 49 7.386 7.584 3.703 1.00 0.00 O ATOM 760 CB GLN A 49 7.413 5.375 1.175 1.00 0.00 C ATOM 761 CG GLN A 49 8.292 4.386 0.426 1.00 0.00 C ATOM 762 CD GLN A 49 8.427 4.724 -1.046 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.534 4.890 -1.558 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.296 4.827 -1.736 1.00 0.00 N ATOM 0 H GLN A 49 7.070 3.438 2.657 1.00 0.00 H new ATOM 0 HA GLN A 49 8.755 5.673 2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.368 5.105 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.550 6.368 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.282 4.367 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.874 3.384 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.400 4.681 -1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.324 5.052 -2.731 1.00 0.00 H new ATOM 773 N LEU A 50 5.565 6.287 3.443 1.00 0.00 N ATOM 774 CA LEU A 50 4.655 7.256 4.044 1.00 0.00 C ATOM 775 C LEU A 50 5.280 7.898 5.278 1.00 0.00 C ATOM 776 O LEU A 50 5.134 9.099 5.506 1.00 0.00 O ATOM 777 CB LEU A 50 3.334 6.580 4.419 1.00 0.00 C ATOM 778 CG LEU A 50 2.349 6.349 3.273 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.198 5.464 3.729 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.826 7.676 2.744 1.00 0.00 C ATOM 0 H LEU A 50 5.118 5.424 3.132 1.00 0.00 H new ATOM 0 HA LEU A 50 4.460 8.038 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.559 5.617 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.841 7.187 5.178 1.00 0.00 H new ATOM 0 HG LEU A 50 2.874 5.840 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.507 5.310 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.588 4.501 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.674 5.946 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.126 7.492 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.317 8.212 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.659 8.276 2.379 1.00 0.00 H new ATOM 792 N ASP A 51 5.976 7.090 6.070 1.00 0.00 N ATOM 793 CA ASP A 51 6.627 7.581 7.280 1.00 0.00 C ATOM 794 C ASP A 51 7.413 8.856 6.995 1.00 0.00 C ATOM 795 O ASP A 51 7.222 9.875 7.658 1.00 0.00 O ATOM 796 CB ASP A 51 7.557 6.511 7.854 1.00 0.00 C ATOM 797 CG ASP A 51 7.993 6.821 9.272 1.00 0.00 C ATOM 798 OD1 ASP A 51 8.913 7.647 9.442 1.00 0.00 O ATOM 799 OD2 ASP A 51 7.411 6.239 10.211 1.00 0.00 O ATOM 0 H ASP A 51 6.104 6.093 5.897 1.00 0.00 H new ATOM 0 HA ASP A 51 5.853 7.809 8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.050 5.546 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.438 6.421 7.218 1.00 0.00 H new ATOM 804 N GLU A 52 8.299 8.792 6.005 1.00 0.00 N ATOM 805 CA GLU A 52 9.115 9.942 5.635 1.00 0.00 C ATOM 806 C GLU A 52 8.281 11.219 5.619 1.00 0.00 C ATOM 807 O GLU A 52 8.683 12.244 6.170 1.00 0.00 O ATOM 808 CB GLU A 52 9.756 9.720 4.263 1.00 0.00 C ATOM 809 CG GLU A 52 10.964 8.800 4.297 1.00 0.00 C ATOM 810 CD GLU A 52 11.897 9.018 3.121 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.253 10.185 2.855 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.269 8.022 2.467 1.00 0.00 O ATOM 0 H GLU A 52 8.469 7.956 5.446 1.00 0.00 H new ATOM 0 HA GLU A 52 9.901 10.053 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.011 9.302 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.055 10.684 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.512 8.960 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.627 7.764 4.301 1.00 0.00 H new ATOM 819 N VAL A 53 7.115 11.150 4.982 1.00 0.00 N ATOM 820 CA VAL A 53 6.224 12.299 4.894 1.00 0.00 C ATOM 821 C VAL A 53 5.786 12.764 6.279 1.00 0.00 C ATOM 822 O VAL A 53 5.304 11.971 7.087 1.00 0.00 O ATOM 823 CB VAL A 53 4.973 11.976 4.055 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.029 13.168 4.021 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.370 11.560 2.646 1.00 0.00 C ATOM 0 H VAL A 53 6.767 10.310 4.520 1.00 0.00 H new ATOM 0 HA VAL A 53 6.785 13.097 4.407 1.00 0.00 H new ATOM 0 HB VAL A 53 4.449 11.142 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.152 12.920 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.719 13.416 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.539 14.024 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.474 11.335 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.917 12.372 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.003 10.674 2.693 1.00 0.00 H new ATOM 941 N ILE A 61 -1.806 16.616 2.803 1.00 0.00 N ATOM 942 CA ILE A 61 -0.680 15.874 3.356 1.00 0.00 C ATOM 943 C ILE A 61 -1.103 15.066 4.578 1.00 0.00 C ATOM 944 O ILE A 61 -0.812 13.874 4.677 1.00 0.00 O ATOM 945 CB ILE A 61 0.475 16.814 3.752 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.955 17.607 2.534 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.621 16.018 4.358 1.00 0.00 C ATOM 948 CD1 ILE A 61 2.032 18.620 2.859 1.00 0.00 C ATOM 0 HA ILE A 61 -0.335 15.196 2.575 1.00 0.00 H new ATOM 0 HB ILE A 61 0.112 17.518 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.335 16.912 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.105 18.123 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.429 16.696 4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.270 15.493 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.986 15.294 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.324 19.145 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.650 19.337 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.899 18.108 3.277 1.00 0.00 H new ATOM 960 N ARG A 62 -1.792 15.722 5.505 1.00 0.00 N ATOM 961 CA ARG A 62 -2.256 15.063 6.721 1.00 0.00 C ATOM 962 C ARG A 62 -3.140 13.866 6.387 1.00 0.00 C ATOM 963 O ARG A 62 -2.945 12.772 6.916 1.00 0.00 O ATOM 964 CB ARG A 62 -3.027 16.051 7.598 1.00 0.00 C ATOM 965 CG ARG A 62 -3.718 15.399 8.786 1.00 0.00 C ATOM 966 CD ARG A 62 -4.154 16.433 9.813 1.00 0.00 C ATOM 967 NE ARG A 62 -4.648 15.812 11.038 1.00 0.00 N ATOM 968 CZ ARG A 62 -5.880 15.336 11.176 1.00 0.00 C ATOM 969 NH1 ARG A 62 -6.739 15.409 10.168 1.00 0.00 N ATOM 970 NH2 ARG A 62 -6.256 14.785 12.323 1.00 0.00 N ATOM 0 H ARG A 62 -2.042 16.709 5.438 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.383 14.706 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.339 16.814 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.774 16.560 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.587 14.839 8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.042 14.683 9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.313 17.085 10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.934 17.062 9.385 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.012 15.740 11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.454 15.831 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.685 15.043 10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.598 14.727 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.203 14.420 12.427 1.00 0.00 H new ATOM 984 N GLU A 63 -4.112 14.081 5.506 1.00 0.00 N ATOM 985 CA GLU A 63 -5.026 13.019 5.103 1.00 0.00 C ATOM 986 C GLU A 63 -4.302 11.965 4.268 1.00 0.00 C ATOM 987 O GLU A 63 -4.179 10.812 4.677 1.00 0.00 O ATOM 988 CB GLU A 63 -6.198 13.599 4.307 1.00 0.00 C ATOM 989 CG GLU A 63 -7.298 14.178 5.180 1.00 0.00 C ATOM 990 CD GLU A 63 -8.179 13.108 5.795 1.00 0.00 C ATOM 991 OE1 GLU A 63 -7.678 11.989 6.030 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.370 13.392 6.043 1.00 0.00 O ATOM 0 H GLU A 63 -4.287 14.981 5.058 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.409 12.543 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.825 14.378 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.620 12.817 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.850 14.775 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.913 14.851 4.584 1.00 0.00 H new ATOM 999 N ALA A 64 -3.828 12.373 3.095 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.115 11.466 2.204 1.00 0.00 C ATOM 1001 C ALA A 64 -2.288 10.457 2.993 1.00 0.00 C ATOM 1002 O ALA A 64 -2.390 9.250 2.774 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.225 12.252 1.252 1.00 0.00 C ATOM 0 H ALA A 64 -3.925 13.324 2.740 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.853 10.914 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.699 11.562 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.838 12.928 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.500 12.830 1.825 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.468 10.960 3.909 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.621 10.103 4.729 1.00 0.00 C ATOM 1011 C ARG A 65 -1.452 9.039 5.442 1.00 0.00 C ATOM 1012 O ARG A 65 -1.187 7.843 5.316 1.00 0.00 O ATOM 1013 CB ARG A 65 0.146 10.938 5.756 1.00 0.00 C ATOM 1014 CG ARG A 65 1.095 10.122 6.620 1.00 0.00 C ATOM 1015 CD ARG A 65 2.253 10.967 7.127 1.00 0.00 C ATOM 1016 NE ARG A 65 3.103 10.229 8.057 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.731 9.902 9.290 1.00 0.00 C ATOM 1018 NH1 ARG A 65 1.532 10.245 9.737 1.00 0.00 N ATOM 1019 NH2 ARG A 65 3.560 9.230 10.077 1.00 0.00 N ATOM 0 H ARG A 65 -1.372 11.957 4.102 1.00 0.00 H new ATOM 0 HA ARG A 65 0.091 9.604 4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.715 11.708 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.568 11.451 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.550 9.704 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.482 9.281 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.851 11.307 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.863 11.857 7.621 1.00 0.00 H new ATOM 0 HE ARG A 65 4.032 9.949 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.892 10.762 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.249 9.993 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.484 8.964 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.274 8.979 11.023 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.456 9.483 6.190 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.324 8.570 6.924 1.00 0.00 C ATOM 1035 C ARG A 66 -4.136 7.705 5.965 1.00 0.00 C ATOM 1036 O ARG A 66 -3.963 6.487 5.914 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.263 9.353 7.842 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.924 8.498 8.911 1.00 0.00 C ATOM 1039 CD ARG A 66 -5.239 9.308 10.158 1.00 0.00 C ATOM 1040 NE ARG A 66 -6.480 10.065 10.021 1.00 0.00 N ATOM 1041 CZ ARG A 66 -6.754 11.160 10.721 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -5.878 11.625 11.602 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -7.905 11.794 10.540 1.00 0.00 N ATOM 0 H ARG A 66 -2.689 10.470 6.304 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.695 7.918 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.702 10.153 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.037 9.826 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.843 8.065 8.515 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.267 7.668 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.316 8.639 11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.417 9.994 10.362 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.175 9.735 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.991 11.141 11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.091 12.466 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.581 11.441 9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.114 12.635 11.078 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.024 8.342 5.208 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.864 7.630 4.253 1.00 0.00 C ATOM 1059 C ARG A 67 -5.081 6.518 3.563 1.00 0.00 C ATOM 1060 O ARG A 67 -5.538 5.377 3.490 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.421 8.601 3.209 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.634 8.066 2.467 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.958 8.913 1.246 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.869 8.230 0.331 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.103 8.636 -0.912 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.497 9.716 -1.386 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.944 7.960 -1.684 1.00 0.00 N ATOM 0 H ARG A 67 -5.180 9.350 5.238 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.693 7.181 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.690 9.536 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.638 8.834 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.449 7.037 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.493 8.048 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.404 9.854 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.035 9.160 0.721 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.352 7.396 0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.849 10.238 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.679 10.025 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.411 7.128 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.123 8.272 -2.638 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.901 6.859 3.057 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.054 5.889 2.374 1.00 0.00 C ATOM 1083 C ALA A 68 -2.811 4.662 3.245 1.00 0.00 C ATOM 1084 O ALA A 68 -2.918 3.527 2.782 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.731 6.529 1.978 1.00 0.00 C ATOM 0 H ALA A 68 -3.510 7.800 3.107 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.572 5.564 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.109 5.793 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.919 7.370 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.217 6.883 2.871 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.480 4.898 4.511 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.221 3.812 5.450 1.00 0.00 C ATOM 1093 C VAL A 69 -3.330 2.766 5.398 1.00 0.00 C ATOM 1094 O VAL A 69 -3.061 1.564 5.365 1.00 0.00 O ATOM 1095 CB VAL A 69 -2.091 4.335 6.892 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.896 3.181 7.864 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.944 5.329 6.997 1.00 0.00 C ATOM 0 H VAL A 69 -2.385 5.832 4.910 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.278 3.354 5.152 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.014 4.850 7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.806 3.571 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.753 2.509 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.989 2.635 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.867 5.688 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.012 4.841 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.130 6.171 6.331 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.574 3.230 5.390 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.723 2.335 5.340 1.00 0.00 C ATOM 1109 C ILE A 70 -5.909 1.757 3.942 1.00 0.00 C ATOM 1110 O ILE A 70 -6.175 0.566 3.782 1.00 0.00 O ATOM 1111 CB ILE A 70 -7.017 3.054 5.763 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.878 3.607 7.184 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -8.204 2.108 5.671 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.958 4.598 7.555 1.00 0.00 C ATOM 0 H ILE A 70 -4.813 4.221 5.418 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.522 1.525 6.042 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.190 3.889 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.898 2.778 7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.905 4.088 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -9.111 2.632 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.312 1.759 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.041 1.255 6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.796 4.948 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.924 5.446 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.933 4.116 7.487 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.767 2.609 2.932 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.920 2.183 1.545 1.00 0.00 C ATOM 1128 C GLU A 71 -4.929 1.073 1.206 1.00 0.00 C ATOM 1129 O GLU A 71 -5.233 0.173 0.422 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.720 3.368 0.599 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.899 4.324 0.561 1.00 0.00 C ATOM 1132 CD GLU A 71 -8.164 3.670 0.039 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -8.169 3.245 -1.135 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.147 3.584 0.804 1.00 0.00 O ATOM 0 H GLU A 71 -5.546 3.598 3.048 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.931 1.795 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.828 3.917 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.536 2.991 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.081 4.710 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.649 5.178 -0.069 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.743 1.143 1.801 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.707 0.146 1.563 1.00 0.00 C ATOM 1143 C VAL A 72 -2.826 -1.015 2.545 1.00 0.00 C ATOM 1144 O VAL A 72 -2.578 -2.167 2.191 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.299 0.760 1.678 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.234 -0.300 1.443 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -1.140 1.914 0.701 1.00 0.00 C ATOM 0 H VAL A 72 -3.476 1.881 2.452 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.851 -0.224 0.548 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.172 1.150 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.754 0.152 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.337 -1.090 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.355 -0.722 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.139 2.336 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.286 1.552 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.880 2.683 0.922 1.00 0.00 H new ATOM 1157 N GLN A 73 -3.208 -0.701 3.779 1.00 0.00 N ATOM 1158 CA GLN A 73 -3.359 -1.718 4.812 1.00 0.00 C ATOM 1159 C GLN A 73 -4.463 -2.707 4.446 1.00 0.00 C ATOM 1160 O GLN A 73 -4.293 -3.919 4.575 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.670 -1.065 6.160 1.00 0.00 C ATOM 1162 CG GLN A 73 -2.431 -0.666 6.943 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.828 -1.825 7.713 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -0.676 -2.200 7.493 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -2.607 -2.401 8.622 1.00 0.00 N ATOM 0 H GLN A 73 -3.418 0.248 4.087 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.418 -2.263 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.284 -0.180 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.262 -1.755 6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.686 -0.264 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.687 0.133 7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.556 -2.058 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.256 -3.186 9.170 1.00 0.00 H new ATOM 1174 N THR A 74 -5.595 -2.180 3.988 1.00 0.00 N ATOM 1175 CA THR A 74 -6.726 -3.015 3.606 1.00 0.00 C ATOM 1176 C THR A 74 -6.261 -4.266 2.869 1.00 0.00 C ATOM 1177 O THR A 74 -6.755 -5.365 3.121 1.00 0.00 O ATOM 1178 CB THR A 74 -7.715 -2.243 2.711 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.878 -3.042 2.465 1.00 0.00 O ATOM 1180 CG2 THR A 74 -7.066 -1.863 1.389 1.00 0.00 C ATOM 0 H THR A 74 -5.752 -1.179 3.873 1.00 0.00 H new ATOM 0 HA THR A 74 -7.231 -3.306 4.527 1.00 0.00 H new ATOM 0 HB THR A 74 -8.005 -1.330 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.503 -2.544 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.783 -1.319 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.198 -1.231 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.751 -2.766 0.866 1.00 0.00 H new ATOM 1188 N LEU A 75 -5.310 -4.092 1.959 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.778 -5.208 1.185 1.00 0.00 C ATOM 1190 C LEU A 75 -4.063 -6.206 2.090 1.00 0.00 C ATOM 1191 O LEU A 75 -4.477 -7.360 2.207 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.817 -4.697 0.110 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.455 -4.270 -1.213 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.626 -3.183 -1.878 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.610 -5.467 -2.140 1.00 0.00 C ATOM 0 H LEU A 75 -4.891 -3.189 1.739 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.614 -5.716 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.268 -3.848 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.087 -5.479 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.446 -3.866 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.095 -2.892 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.565 -2.317 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.622 -3.560 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.065 -5.145 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.630 -5.899 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.246 -6.215 -1.666 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.990 -5.753 2.729 1.00 0.00 N ATOM 1208 CA ILE A 76 -2.220 -6.605 3.626 1.00 0.00 C ATOM 1209 C ILE A 76 -3.132 -7.539 4.415 1.00 0.00 C ATOM 1210 O ILE A 76 -2.861 -8.735 4.535 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.380 -5.772 4.613 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.397 -4.880 3.851 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.638 -6.683 5.578 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.118 -3.715 4.668 1.00 0.00 C ATOM 0 H ILE A 76 -2.634 -4.801 2.642 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.550 -7.196 3.001 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.050 -5.134 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.448 -5.484 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.885 -4.497 2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.049 -6.079 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.356 -7.280 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.024 -7.344 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.809 -3.126 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.719 -3.089 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.635 -4.090 5.551 1.00 0.00 H new ATOM 1226 N THR A 77 -4.214 -6.986 4.951 1.00 0.00 N ATOM 1227 CA THR A 77 -5.168 -7.768 5.728 1.00 0.00 C ATOM 1228 C THR A 77 -5.767 -8.893 4.893 1.00 0.00 C ATOM 1229 O THR A 77 -5.840 -10.038 5.337 1.00 0.00 O ATOM 1230 CB THR A 77 -6.307 -6.885 6.273 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.779 -5.898 7.165 1.00 0.00 O ATOM 1232 CG2 THR A 77 -7.345 -7.729 6.998 1.00 0.00 C ATOM 0 H THR A 77 -4.453 -5.998 4.862 1.00 0.00 H new ATOM 0 HA THR A 77 -4.617 -8.196 6.566 1.00 0.00 H new ATOM 0 HB THR A 77 -6.788 -6.390 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.509 -5.340 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.140 -7.085 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.767 -8.460 6.308 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.873 -8.248 7.832 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.192 -8.560 3.679 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.787 -9.543 2.781 1.00 0.00 C ATOM 1242 C TYR A 78 -5.868 -10.749 2.608 1.00 0.00 C ATOM 1243 O TYR A 78 -6.287 -11.893 2.787 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.077 -8.911 1.418 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.475 -9.913 0.358 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.644 -10.654 0.479 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.682 -10.117 -0.764 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -9.012 -11.570 -0.487 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.043 -11.030 -1.736 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.207 -11.755 -1.592 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.571 -12.666 -2.557 1.00 0.00 O ATOM 0 H TYR A 78 -6.136 -7.617 3.294 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.723 -9.882 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.875 -8.177 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.192 -8.371 1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.276 -10.511 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.768 -9.553 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.924 -12.138 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.417 -11.175 -2.604 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.898 -12.675 -3.269 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.613 -10.484 2.261 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.634 -11.546 2.066 1.00 0.00 C ATOM 1263 C ILE A 79 -3.486 -12.394 3.324 1.00 0.00 C ATOM 1264 O ILE A 79 -3.581 -13.620 3.274 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.256 -10.978 1.678 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.357 -10.183 0.374 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.240 -12.101 1.542 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.304 -9.105 0.241 1.00 0.00 C ATOM 0 H ILE A 79 -4.250 -9.543 2.109 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.003 -12.169 1.251 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.921 -10.305 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.271 -10.869 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.344 -9.725 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.271 -11.684 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.152 -12.629 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.568 -12.796 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.436 -8.582 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.403 -8.396 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.313 -9.559 0.270 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.254 -11.733 4.453 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.095 -12.426 5.727 1.00 0.00 C ATOM 1282 C ASP A 80 -4.084 -13.581 5.844 1.00 0.00 C ATOM 1283 O ASP A 80 -3.720 -14.686 6.249 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.290 -11.451 6.889 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.335 -12.153 8.232 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.174 -13.064 8.397 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.534 -11.791 9.119 1.00 0.00 O ATOM 0 H ASP A 80 -3.172 -10.718 4.512 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.084 -12.832 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.478 -10.724 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.216 -10.895 6.742 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.338 -13.319 5.488 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.380 -14.336 5.554 1.00 0.00 C ATOM 1294 C LEU A 81 -6.056 -15.509 4.635 1.00 0.00 C ATOM 1295 O LEU A 81 -5.981 -16.656 5.076 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.733 -13.733 5.173 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.291 -12.679 6.128 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.260 -11.758 5.401 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.974 -13.342 7.316 1.00 0.00 C ATOM 0 H LEU A 81 -5.656 -12.411 5.151 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.429 -14.705 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.643 -13.286 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.459 -14.542 5.093 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.460 -12.079 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.647 -11.014 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.741 -11.256 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.087 -12.344 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.365 -12.576 7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.794 -13.967 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.253 -13.959 7.853 1.00 0.00 H new ATOM 1311 N LYS A 82 -5.863 -15.214 3.354 1.00 0.00 N ATOM 1312 CA LYS A 82 -5.542 -16.242 2.371 1.00 0.00 C ATOM 1313 C LYS A 82 -4.346 -17.073 2.823 1.00 0.00 C ATOM 1314 O LYS A 82 -4.425 -18.299 2.902 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.249 -15.604 1.011 1.00 0.00 C ATOM 1316 CG LYS A 82 -6.452 -14.915 0.391 1.00 0.00 C ATOM 1317 CD LYS A 82 -7.336 -15.899 -0.356 1.00 0.00 C ATOM 1318 CE LYS A 82 -8.786 -15.441 -0.378 1.00 0.00 C ATOM 1319 NZ LYS A 82 -9.365 -15.368 0.992 1.00 0.00 N ATOM 0 H LYS A 82 -5.923 -14.270 2.972 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.405 -16.901 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.444 -14.878 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.889 -16.374 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.033 -14.423 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.114 -14.137 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.974 -16.012 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.270 -16.879 0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.850 -14.462 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.375 -16.129 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.389 -15.542 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.919 -16.087 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.192 -14.424 1.392 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.241 -16.397 3.119 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.028 -17.074 3.565 1.00 0.00 C ATOM 1335 C GLU A 83 -2.349 -18.123 4.626 1.00 0.00 C ATOM 1336 O GLU A 83 -1.981 -19.290 4.491 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.025 -16.060 4.120 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.116 -15.460 3.061 1.00 0.00 C ATOM 1339 CD GLU A 83 1.187 -14.942 3.638 1.00 0.00 C ATOM 1340 OE1 GLU A 83 2.113 -15.755 3.839 1.00 0.00 O ATOM 1341 OE2 GLU A 83 1.281 -13.722 3.887 1.00 0.00 O ATOM 0 H GLU A 83 -3.160 -15.382 3.058 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.586 -17.576 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.570 -15.257 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.412 -16.546 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.100 -16.213 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.637 -14.644 2.560 1.00 0.00 H new