USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 540 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 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 148:sc= 0.0903 (180deg=0) USER MOD Set 2.2: A 74 TYR OH : rot 15:sc= 0.0872 USER MOD Set 3.1: A 56 THR OG1 : rot -170:sc= 0.221 USER MOD Set 3.2: A 59 THR OG1 : rot 108:sc= 0.237 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0244) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.000427 (180deg=-0.139) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0.979 (180deg=0.945) USER MOD Single : A 9 ASN : amide:sc= 0.05 X(o=0.05,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.115 K(o=0.11,f=-0.53) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0913) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.14 K(o=1.1,f=-0.033) USER MOD Single : A 61 SER OG : rot 28:sc= 0.151 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.553 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.319 X(o=0.32,f=-0.088) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -14.312 -53.839 -10.119 1.00 0.00 N ATOM 77 CA MET A 1 -14.301 -54.250 -8.704 1.00 0.00 C ATOM 78 C MET A 1 -13.722 -53.122 -7.828 1.00 0.00 C ATOM 79 O MET A 1 -12.513 -53.057 -7.594 1.00 0.00 O ATOM 80 CB MET A 1 -13.490 -55.554 -8.533 1.00 0.00 C ATOM 81 CG MET A 1 -14.111 -56.766 -9.244 1.00 0.00 C ATOM 82 SD MET A 1 -13.206 -58.329 -9.045 1.00 0.00 S ATOM 83 CE MET A 1 -13.557 -58.709 -7.305 1.00 0.00 C ATOM 0 H1 MET A 1 -14.869 -54.520 -10.674 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.738 -52.894 -10.203 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.337 -53.813 -10.480 1.00 0.00 H new ATOM 0 HA MET A 1 -15.325 -54.441 -8.382 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.482 -55.397 -8.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.396 -55.776 -7.470 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.127 -56.903 -8.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.188 -56.542 -10.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.159 -59.694 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.089 -57.959 -6.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.635 -58.703 -7.141 1.00 0.00 H new ATOM 93 N ASP A 2 -14.582 -52.212 -7.358 1.00 0.00 N ATOM 94 CA ASP A 2 -14.199 -51.001 -6.609 1.00 0.00 C ATOM 95 C ASP A 2 -15.200 -50.666 -5.476 1.00 0.00 C ATOM 96 O ASP A 2 -16.401 -50.916 -5.630 1.00 0.00 O ATOM 97 CB ASP A 2 -14.101 -49.805 -7.575 1.00 0.00 C ATOM 98 CG ASP A 2 -12.925 -49.926 -8.558 1.00 0.00 C ATOM 99 OD1 ASP A 2 -13.139 -50.351 -9.720 1.00 0.00 O ATOM 100 OD2 ASP A 2 -11.785 -49.563 -8.178 1.00 0.00 O ATOM 0 H ASP A 2 -15.590 -52.296 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.232 -51.198 -6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.031 -49.721 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.993 -48.886 -6.998 1.00 0.00 H new ATOM 105 N PRO A 3 -14.753 -50.048 -4.359 1.00 0.00 N ATOM 106 CA PRO A 3 -15.617 -49.645 -3.239 1.00 0.00 C ATOM 107 C PRO A 3 -16.415 -48.356 -3.479 1.00 0.00 C ATOM 108 O PRO A 3 -17.237 -47.966 -2.646 1.00 0.00 O ATOM 109 CB PRO A 3 -14.666 -49.524 -2.043 1.00 0.00 C ATOM 110 CG PRO A 3 -13.372 -49.036 -2.691 1.00 0.00 C ATOM 111 CD PRO A 3 -13.358 -49.774 -4.030 1.00 0.00 C ATOM 0 HA PRO A 3 -16.404 -50.383 -3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.038 -48.819 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.530 -50.479 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.371 -47.954 -2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.500 -49.282 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.888 -49.167 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.786 -50.699 -3.959 1.00 0.00 H new ATOM 119 N LEU A 4 -16.207 -47.710 -4.625 1.00 0.00 N ATOM 120 CA LEU A 4 -16.863 -46.472 -5.052 1.00 0.00 C ATOM 121 C LEU A 4 -17.879 -46.731 -6.184 1.00 0.00 C ATOM 122 O LEU A 4 -17.933 -46.004 -7.173 1.00 0.00 O ATOM 123 CB LEU A 4 -15.787 -45.418 -5.393 1.00 0.00 C ATOM 124 CG LEU A 4 -14.875 -45.003 -4.223 1.00 0.00 C ATOM 125 CD1 LEU A 4 -13.845 -43.987 -4.718 1.00 0.00 C ATOM 126 CD2 LEU A 4 -15.651 -44.368 -3.066 1.00 0.00 C ATOM 0 H LEU A 4 -15.542 -48.053 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 4 -17.461 -46.065 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.163 -45.808 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -16.284 -44.527 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.398 -45.912 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.199 -43.692 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.242 -44.435 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.359 -43.108 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.958 -44.095 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -16.166 -43.475 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.381 -45.081 -2.683 1.00 0.00 H new ATOM 138 N ASP A 5 -18.686 -47.788 -6.045 1.00 0.00 N ATOM 139 CA ASP A 5 -19.754 -48.138 -7.003 1.00 0.00 C ATOM 140 C ASP A 5 -21.171 -47.743 -6.556 1.00 0.00 C ATOM 141 O ASP A 5 -22.094 -47.657 -7.371 1.00 0.00 O ATOM 142 CB ASP A 5 -19.685 -49.644 -7.278 1.00 0.00 C ATOM 143 CG ASP A 5 -20.547 -50.072 -8.481 1.00 0.00 C ATOM 144 OD1 ASP A 5 -20.276 -49.614 -9.617 1.00 0.00 O ATOM 145 OD2 ASP A 5 -21.477 -50.896 -8.299 1.00 0.00 O ATOM 0 H ASP A 5 -18.620 -48.434 -5.259 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.572 -47.557 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -18.649 -49.928 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -20.013 -50.186 -6.391 1.00 0.00 H new ATOM 150 N LYS A 6 -21.331 -47.511 -5.251 1.00 0.00 N ATOM 151 CA LYS A 6 -22.635 -47.405 -4.566 1.00 0.00 C ATOM 152 C LYS A 6 -22.953 -46.041 -3.933 1.00 0.00 C ATOM 153 O LYS A 6 -24.121 -45.649 -3.912 1.00 0.00 O ATOM 154 CB LYS A 6 -22.845 -48.578 -3.583 1.00 0.00 C ATOM 155 CG LYS A 6 -21.920 -48.683 -2.353 1.00 0.00 C ATOM 156 CD LYS A 6 -20.526 -49.260 -2.652 1.00 0.00 C ATOM 157 CE LYS A 6 -19.796 -49.700 -1.373 1.00 0.00 C ATOM 158 NZ LYS A 6 -19.170 -48.562 -0.647 1.00 0.00 N ATOM 0 H LYS A 6 -20.540 -47.387 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.373 -47.482 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -23.872 -48.528 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.751 -49.505 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.803 -47.691 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.404 -49.307 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.623 -50.112 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.928 -48.511 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.502 -50.203 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.027 -50.428 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.795 -48.895 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.394 -48.170 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.883 -47.824 -0.479 1.00 0.00 H new ATOM 172 N ILE A 7 -21.939 -45.315 -3.446 1.00 0.00 N ATOM 173 CA ILE A 7 -22.082 -44.013 -2.749 1.00 0.00 C ATOM 174 C ILE A 7 -21.110 -42.925 -3.248 1.00 0.00 C ATOM 175 O ILE A 7 -20.957 -41.887 -2.601 1.00 0.00 O ATOM 176 CB ILE A 7 -22.034 -44.191 -1.206 1.00 0.00 C ATOM 177 CG1 ILE A 7 -20.771 -44.895 -0.654 1.00 0.00 C ATOM 178 CG2 ILE A 7 -23.273 -44.967 -0.724 1.00 0.00 C ATOM 179 CD1 ILE A 7 -19.461 -44.110 -0.782 1.00 0.00 C ATOM 0 H ILE A 7 -20.968 -45.617 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 7 -23.072 -43.639 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 7 -22.010 -43.173 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -20.935 -45.122 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -20.654 -45.848 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -23.229 -45.086 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -24.174 -44.416 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -23.294 -45.949 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.643 -44.697 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -19.261 -43.906 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -19.546 -43.169 -0.239 1.00 0.00 H new ATOM 191 N ILE A 8 -20.433 -43.158 -4.382 1.00 0.00 N ATOM 192 CA ILE A 8 -19.374 -42.287 -4.924 1.00 0.00 C ATOM 193 C ILE A 8 -19.811 -40.810 -5.030 1.00 0.00 C ATOM 194 O ILE A 8 -20.834 -40.483 -5.641 1.00 0.00 O ATOM 195 CB ILE A 8 -18.845 -42.833 -6.272 1.00 0.00 C ATOM 196 CG1 ILE A 8 -17.565 -42.068 -6.689 1.00 0.00 C ATOM 197 CG2 ILE A 8 -19.904 -42.837 -7.392 1.00 0.00 C ATOM 198 CD1 ILE A 8 -16.897 -42.575 -7.974 1.00 0.00 C ATOM 0 H ILE A 8 -20.609 -43.977 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 8 -18.551 -42.303 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.594 -43.882 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.815 -41.015 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.843 -42.127 -5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -19.464 -43.232 -8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -20.746 -43.463 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -20.252 -41.819 -7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.010 -41.977 -8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.610 -43.619 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.596 -42.490 -8.806 1.00 0.00 H new ATOM 210 N ASN A 9 -19.025 -39.911 -4.431 1.00 0.00 N ATOM 211 CA ASN A 9 -19.297 -38.463 -4.421 1.00 0.00 C ATOM 212 C ASN A 9 -18.031 -37.583 -4.445 1.00 0.00 C ATOM 213 O ASN A 9 -18.130 -36.358 -4.500 1.00 0.00 O ATOM 214 CB ASN A 9 -20.218 -38.166 -3.217 1.00 0.00 C ATOM 215 CG ASN A 9 -21.142 -36.976 -3.432 1.00 0.00 C ATOM 216 OD1 ASN A 9 -22.327 -37.120 -3.701 1.00 0.00 O ATOM 217 ND2 ASN A 9 -20.647 -35.765 -3.335 1.00 0.00 N ATOM 0 H ASN A 9 -18.172 -40.166 -3.933 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.799 -38.193 -5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.821 -39.049 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.602 -37.982 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.249 -34.955 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.661 -35.634 -3.111 1.00 0.00 H new ATOM 224 N ASP A 10 -16.832 -38.174 -4.437 1.00 0.00 N ATOM 225 CA ASP A 10 -15.572 -37.441 -4.230 1.00 0.00 C ATOM 226 C ASP A 10 -14.934 -36.876 -5.517 1.00 0.00 C ATOM 227 O ASP A 10 -13.793 -36.406 -5.520 1.00 0.00 O ATOM 228 CB ASP A 10 -14.598 -38.311 -3.419 1.00 0.00 C ATOM 229 CG ASP A 10 -15.176 -38.711 -2.051 1.00 0.00 C ATOM 230 OD1 ASP A 10 -15.008 -37.944 -1.073 1.00 0.00 O ATOM 231 OD2 ASP A 10 -15.799 -39.797 -1.953 1.00 0.00 O ATOM 0 H ASP A 10 -16.704 -39.177 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.817 -36.547 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.358 -39.210 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.665 -37.768 -3.272 1.00 0.00 H new ATOM 236 N ILE A 11 -15.684 -36.932 -6.618 1.00 0.00 N ATOM 237 CA ILE A 11 -15.268 -36.552 -7.982 1.00 0.00 C ATOM 238 C ILE A 11 -16.397 -35.898 -8.796 1.00 0.00 C ATOM 239 O ILE A 11 -16.382 -35.896 -10.028 1.00 0.00 O ATOM 240 CB ILE A 11 -14.574 -37.772 -8.649 1.00 0.00 C ATOM 241 CG1 ILE A 11 -13.705 -37.380 -9.866 1.00 0.00 C ATOM 242 CG2 ILE A 11 -15.577 -38.896 -8.977 1.00 0.00 C ATOM 243 CD1 ILE A 11 -12.721 -38.477 -10.294 1.00 0.00 C ATOM 0 H ILE A 11 -16.649 -37.260 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.530 -35.751 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.881 -38.173 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.357 -37.140 -10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.147 -36.475 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.050 -39.729 -9.442 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.056 -39.236 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.335 -38.518 -9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.144 -38.134 -11.153 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.045 -38.701 -9.469 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.274 -39.377 -10.564 1.00 0.00 H new ATOM 255 N LYS A 12 -17.389 -35.326 -8.097 1.00 0.00 N ATOM 256 CA LYS A 12 -18.611 -34.784 -8.711 1.00 0.00 C ATOM 257 C LYS A 12 -18.887 -33.305 -8.415 1.00 0.00 C ATOM 258 O LYS A 12 -19.324 -32.580 -9.311 1.00 0.00 O ATOM 259 CB LYS A 12 -19.782 -35.692 -8.297 1.00 0.00 C ATOM 260 CG LYS A 12 -21.084 -35.366 -9.045 1.00 0.00 C ATOM 261 CD LYS A 12 -22.168 -36.421 -8.788 1.00 0.00 C ATOM 262 CE LYS A 12 -22.648 -36.428 -7.330 1.00 0.00 C ATOM 263 NZ LYS A 12 -23.658 -37.492 -7.093 1.00 0.00 N ATOM 0 H LYS A 12 -17.366 -35.226 -7.082 1.00 0.00 H new ATOM 0 HA LYS A 12 -18.475 -34.791 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.512 -36.732 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.950 -35.593 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.448 -34.387 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -20.883 -35.304 -10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.017 -36.233 -9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.779 -37.407 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.797 -36.579 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.076 -35.457 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.960 -37.468 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.481 -37.333 -7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.241 -38.420 -7.306 1.00 0.00 H new ATOM 608 N LEU A 35 -9.734 3.684 -0.428 1.00 0.00 N ATOM 609 CA LEU A 35 -8.906 4.142 0.693 1.00 0.00 C ATOM 610 C LEU A 35 -9.595 5.338 1.387 1.00 0.00 C ATOM 611 O LEU A 35 -10.317 6.100 0.735 1.00 0.00 O ATOM 612 CB LEU A 35 -7.528 4.559 0.144 1.00 0.00 C ATOM 613 CG LEU A 35 -6.678 3.390 -0.400 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.975 3.777 -1.699 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.637 2.947 0.628 1.00 0.00 C ATOM 0 HA LEU A 35 -8.780 3.344 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.673 5.288 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.971 5.059 0.936 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.357 2.562 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.384 2.934 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.719 4.045 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.319 4.629 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.051 2.123 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.976 3.782 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.140 2.620 1.538 1.00 0.00 H new ATOM 627 N SER A 36 -9.348 5.538 2.685 1.00 0.00 N ATOM 628 CA SER A 36 -9.769 6.762 3.403 1.00 0.00 C ATOM 629 C SER A 36 -8.892 7.955 2.999 1.00 0.00 C ATOM 630 O SER A 36 -7.823 7.752 2.432 1.00 0.00 O ATOM 631 CB SER A 36 -9.722 6.545 4.922 1.00 0.00 C ATOM 632 OG SER A 36 -10.633 5.525 5.303 1.00 0.00 O ATOM 0 H SER A 36 -8.854 4.865 3.272 1.00 0.00 H new ATOM 0 HA SER A 36 -10.799 6.984 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.712 6.271 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.969 7.474 5.437 1.00 0.00 H new ATOM 0 HG SER A 36 -10.592 5.395 6.274 1.00 0.00 H new ATOM 638 N GLU A 37 -9.280 9.200 3.294 1.00 0.00 N ATOM 639 CA GLU A 37 -8.543 10.398 2.833 1.00 0.00 C ATOM 640 C GLU A 37 -7.057 10.399 3.246 1.00 0.00 C ATOM 641 O GLU A 37 -6.185 10.656 2.417 1.00 0.00 O ATOM 642 CB GLU A 37 -9.269 11.658 3.336 1.00 0.00 C ATOM 643 CG GLU A 37 -8.656 12.957 2.795 1.00 0.00 C ATOM 644 CD GLU A 37 -9.480 14.183 3.232 1.00 0.00 C ATOM 645 OE1 GLU A 37 -10.362 14.636 2.461 1.00 0.00 O ATOM 646 OE2 GLU A 37 -9.251 14.708 4.350 1.00 0.00 O ATOM 0 H GLU A 37 -10.106 9.413 3.854 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.535 10.386 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.318 11.608 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.242 11.676 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.632 13.057 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.610 12.915 1.707 1.00 0.00 H new ATOM 653 N GLN A 38 -6.751 10.028 4.494 1.00 0.00 N ATOM 654 CA GLN A 38 -5.371 9.886 4.980 1.00 0.00 C ATOM 655 C GLN A 38 -4.703 8.627 4.413 1.00 0.00 C ATOM 656 O GLN A 38 -3.545 8.672 3.999 1.00 0.00 O ATOM 657 CB GLN A 38 -5.389 9.862 6.518 1.00 0.00 C ATOM 658 CG GLN A 38 -3.983 9.925 7.137 1.00 0.00 C ATOM 659 CD GLN A 38 -4.003 9.540 8.615 1.00 0.00 C ATOM 660 OE1 GLN A 38 -4.021 10.375 9.510 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.016 8.258 8.926 1.00 0.00 N ATOM 0 H GLN A 38 -7.456 9.816 5.200 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.780 10.735 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.978 10.704 6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.888 8.954 6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.315 9.255 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.581 10.932 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.001 7.554 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.041 7.971 9.904 1.00 0.00 H new ATOM 670 N GLN A 39 -5.428 7.505 4.349 1.00 0.00 N ATOM 671 CA GLN A 39 -4.897 6.249 3.813 1.00 0.00 C ATOM 672 C GLN A 39 -4.518 6.372 2.331 1.00 0.00 C ATOM 673 O GLN A 39 -3.467 5.885 1.930 1.00 0.00 O ATOM 674 CB GLN A 39 -5.870 5.090 4.070 1.00 0.00 C ATOM 675 CG GLN A 39 -5.836 4.644 5.543 1.00 0.00 C ATOM 676 CD GLN A 39 -6.690 3.404 5.811 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.697 3.152 5.164 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.333 2.585 6.779 1.00 0.00 N ATOM 0 H GLN A 39 -6.395 7.443 4.666 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.973 6.024 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.882 5.397 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.613 4.248 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.805 4.438 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.185 5.462 6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.496 2.779 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.893 1.756 6.979 1.00 0.00 H new ATOM 687 N LYS A 40 -5.296 7.107 1.533 1.00 0.00 N ATOM 688 CA LYS A 40 -4.992 7.409 0.128 1.00 0.00 C ATOM 689 C LYS A 40 -3.658 8.155 0.003 1.00 0.00 C ATOM 690 O LYS A 40 -2.854 7.817 -0.863 1.00 0.00 O ATOM 691 CB LYS A 40 -6.167 8.209 -0.463 1.00 0.00 C ATOM 692 CG LYS A 40 -5.888 8.733 -1.882 1.00 0.00 C ATOM 693 CD LYS A 40 -7.162 9.245 -2.574 1.00 0.00 C ATOM 694 CE LYS A 40 -8.052 8.111 -3.105 1.00 0.00 C ATOM 695 NZ LYS A 40 -7.431 7.432 -4.274 1.00 0.00 N ATOM 0 H LYS A 40 -6.174 7.518 1.850 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.876 6.485 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.055 7.577 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.391 9.052 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.155 9.538 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.446 7.937 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.734 9.849 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.883 9.898 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.228 7.384 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.024 8.513 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.134 6.817 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.100 8.146 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.624 6.859 -3.954 1.00 0.00 H new ATOM 709 N ILE A 41 -3.389 9.113 0.896 1.00 0.00 N ATOM 710 CA ILE A 41 -2.127 9.867 0.915 1.00 0.00 C ATOM 711 C ILE A 41 -0.961 8.979 1.358 1.00 0.00 C ATOM 712 O ILE A 41 0.085 9.040 0.727 1.00 0.00 O ATOM 713 CB ILE A 41 -2.223 11.125 1.798 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.347 12.074 1.309 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.891 11.903 1.835 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.841 13.042 2.390 1.00 0.00 C ATOM 0 H ILE A 41 -4.042 9.390 1.629 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.936 10.198 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.456 10.777 2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.982 12.648 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.188 11.477 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.001 12.783 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.106 11.262 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.623 12.214 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.627 13.676 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.236 12.475 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.012 13.664 2.728 1.00 0.00 H new ATOM 728 N ILE A 42 -1.108 8.124 2.379 1.00 0.00 N ATOM 729 CA ILE A 42 -0.019 7.222 2.805 1.00 0.00 C ATOM 730 C ILE A 42 0.305 6.215 1.694 1.00 0.00 C ATOM 731 O ILE A 42 1.472 5.995 1.370 1.00 0.00 O ATOM 732 CB ILE A 42 -0.377 6.486 4.114 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.626 7.459 5.288 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.758 5.518 4.500 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.502 6.815 6.367 1.00 0.00 C ATOM 0 H ILE A 42 -1.964 8.035 2.926 1.00 0.00 H new ATOM 0 HA ILE A 42 0.864 7.831 2.997 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.301 5.939 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.327 7.760 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.108 8.364 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.498 5.003 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.899 4.787 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.681 6.079 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.659 7.524 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.464 6.537 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.007 5.924 6.754 1.00 0.00 H new ATOM 747 N LEU A 43 -0.735 5.648 1.078 1.00 0.00 N ATOM 748 CA LEU A 43 -0.637 4.707 -0.040 1.00 0.00 C ATOM 749 C LEU A 43 0.135 5.344 -1.205 1.00 0.00 C ATOM 750 O LEU A 43 1.103 4.772 -1.710 1.00 0.00 O ATOM 751 CB LEU A 43 -2.074 4.273 -0.413 1.00 0.00 C ATOM 752 CG LEU A 43 -2.274 3.205 -1.500 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.164 3.774 -2.913 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.354 2.001 -1.306 1.00 0.00 C ATOM 0 H LEU A 43 -1.699 5.837 1.352 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.071 3.816 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.554 3.911 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.616 5.165 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.298 2.849 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.314 2.975 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.924 4.542 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.175 4.211 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.533 1.275 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.315 2.328 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.557 1.540 -0.339 1.00 0.00 H new ATOM 766 N ALA A 44 -0.252 6.566 -1.577 1.00 0.00 N ATOM 767 CA ALA A 44 0.395 7.348 -2.619 1.00 0.00 C ATOM 768 C ALA A 44 1.832 7.749 -2.258 1.00 0.00 C ATOM 769 O ALA A 44 2.742 7.469 -3.034 1.00 0.00 O ATOM 770 CB ALA A 44 -0.466 8.581 -2.875 1.00 0.00 C ATOM 0 H ALA A 44 -1.043 7.046 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 44 0.479 6.738 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.007 9.190 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.460 8.270 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.547 9.165 -1.958 1.00 0.00 H new ATOM 776 N GLU A 45 2.065 8.357 -1.090 1.00 0.00 N ATOM 777 CA GLU A 45 3.402 8.801 -0.663 1.00 0.00 C ATOM 778 C GLU A 45 4.412 7.647 -0.551 1.00 0.00 C ATOM 779 O GLU A 45 5.605 7.864 -0.761 1.00 0.00 O ATOM 780 CB GLU A 45 3.312 9.548 0.679 1.00 0.00 C ATOM 781 CG GLU A 45 2.702 10.955 0.563 1.00 0.00 C ATOM 782 CD GLU A 45 3.677 11.952 -0.094 1.00 0.00 C ATOM 783 OE1 GLU A 45 4.519 12.545 0.622 1.00 0.00 O ATOM 784 OE2 GLU A 45 3.601 12.159 -1.330 1.00 0.00 O ATOM 0 H GLU A 45 1.331 8.557 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 45 3.769 9.472 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.714 8.958 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.311 9.629 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.784 10.906 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.428 11.315 1.555 1.00 0.00 H new ATOM 791 N TYR A 46 3.958 6.418 -0.281 1.00 0.00 N ATOM 792 CA TYR A 46 4.811 5.230 -0.230 1.00 0.00 C ATOM 793 C TYR A 46 5.295 4.832 -1.638 1.00 0.00 C ATOM 794 O TYR A 46 6.495 4.842 -1.916 1.00 0.00 O ATOM 795 CB TYR A 46 4.027 4.122 0.495 1.00 0.00 C ATOM 796 CG TYR A 46 4.704 2.782 0.723 1.00 0.00 C ATOM 797 CD1 TYR A 46 3.897 1.686 1.085 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.100 2.613 0.607 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.472 0.420 1.303 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.678 1.349 0.828 1.00 0.00 C ATOM 801 CZ TYR A 46 5.864 0.250 1.166 1.00 0.00 C ATOM 802 OH TYR A 46 6.412 -0.980 1.326 1.00 0.00 O ATOM 0 H TYR A 46 2.976 6.220 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 46 5.725 5.426 0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.727 4.511 1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.113 3.939 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.831 1.818 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.726 3.454 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.848 -0.419 1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.747 1.221 0.738 1.00 0.00 H new ATOM 0 HH TYR A 46 7.382 -0.925 1.197 1.00 0.00 H new ATOM 812 N ILE A 47 4.372 4.581 -2.569 1.00 0.00 N ATOM 813 CA ILE A 47 4.616 4.254 -3.980 1.00 0.00 C ATOM 814 C ILE A 47 5.369 5.388 -4.695 1.00 0.00 C ATOM 815 O ILE A 47 6.217 5.125 -5.541 1.00 0.00 O ATOM 816 CB ILE A 47 3.240 3.995 -4.609 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.721 2.657 -4.033 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.272 3.960 -6.148 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.232 2.403 -4.287 1.00 0.00 C ATOM 0 H ILE A 47 3.376 4.601 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 47 5.253 3.374 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 47 2.573 4.820 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.297 1.839 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.903 2.641 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.268 3.773 -6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.631 4.917 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.940 3.165 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.947 1.445 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.644 3.199 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.044 2.384 -5.361 1.00 0.00 H new ATOM 831 N ALA A 48 5.119 6.646 -4.333 1.00 0.00 N ATOM 832 CA ALA A 48 5.823 7.810 -4.871 1.00 0.00 C ATOM 833 C ALA A 48 7.286 7.910 -4.388 1.00 0.00 C ATOM 834 O ALA A 48 8.120 8.507 -5.072 1.00 0.00 O ATOM 835 CB ALA A 48 5.022 9.054 -4.482 1.00 0.00 C ATOM 0 H ALA A 48 4.407 6.889 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 48 5.889 7.715 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.520 9.943 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.019 8.988 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.955 9.119 -3.396 1.00 0.00 H new ATOM 841 N GLU A 49 7.614 7.317 -3.235 1.00 0.00 N ATOM 842 CA GLU A 49 8.968 7.298 -2.668 1.00 0.00 C ATOM 843 C GLU A 49 9.780 6.067 -3.114 1.00 0.00 C ATOM 844 O GLU A 49 10.997 6.184 -3.281 1.00 0.00 O ATOM 845 CB GLU A 49 8.866 7.390 -1.133 1.00 0.00 C ATOM 846 CG GLU A 49 10.197 7.631 -0.405 1.00 0.00 C ATOM 847 CD GLU A 49 10.758 9.044 -0.670 1.00 0.00 C ATOM 848 OE1 GLU A 49 11.602 9.215 -1.582 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.367 10.000 0.046 1.00 0.00 O ATOM 0 H GLU A 49 6.931 6.826 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 49 9.516 8.160 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.179 8.197 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.426 6.466 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.053 7.494 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.925 6.886 -0.727 1.00 0.00 H new ATOM 856 N VAL A 50 9.148 4.901 -3.343 1.00 0.00 N ATOM 857 CA VAL A 50 9.871 3.644 -3.632 1.00 0.00 C ATOM 858 C VAL A 50 9.513 3.017 -4.978 1.00 0.00 C ATOM 859 O VAL A 50 10.294 2.223 -5.491 1.00 0.00 O ATOM 860 CB VAL A 50 9.737 2.614 -2.488 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.052 3.228 -1.117 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.369 1.927 -2.407 1.00 0.00 C ATOM 0 H VAL A 50 8.133 4.801 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 50 10.918 3.937 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 50 10.476 1.853 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.945 2.467 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.074 3.607 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.361 4.047 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.365 1.221 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.594 2.677 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.174 1.394 -3.337 1.00 0.00 H new ATOM 872 N GLY A 51 8.372 3.362 -5.575 1.00 0.00 N ATOM 873 CA GLY A 51 7.814 2.711 -6.765 1.00 0.00 C ATOM 874 C GLY A 51 7.014 1.453 -6.415 1.00 0.00 C ATOM 875 O GLY A 51 7.407 0.670 -5.549 1.00 0.00 O ATOM 0 H GLY A 51 7.790 4.127 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.170 3.414 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.623 2.447 -7.446 1.00 0.00 H new ATOM 879 N LEU A 52 5.894 1.213 -7.105 1.00 0.00 N ATOM 880 CA LEU A 52 4.940 0.133 -6.779 1.00 0.00 C ATOM 881 C LEU A 52 5.524 -1.291 -6.949 1.00 0.00 C ATOM 882 O LEU A 52 4.999 -2.290 -6.468 1.00 0.00 O ATOM 883 CB LEU A 52 3.667 0.347 -7.630 1.00 0.00 C ATOM 884 CG LEU A 52 2.348 0.055 -6.893 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.214 0.724 -7.656 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.023 -1.423 -6.730 1.00 0.00 C ATOM 0 H LEU A 52 5.616 1.766 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 52 4.700 0.194 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.650 1.378 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.724 -0.291 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 52 2.465 0.450 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.269 0.528 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.388 1.799 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.171 0.324 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.077 -1.531 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.944 -1.889 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.815 -1.909 -6.161 1.00 0.00 H new ATOM 898 N GLN A 53 6.674 -1.365 -7.601 1.00 0.00 N ATOM 899 CA GLN A 53 7.474 -2.579 -7.805 1.00 0.00 C ATOM 900 C GLN A 53 8.307 -2.967 -6.565 1.00 0.00 C ATOM 901 O GLN A 53 8.788 -4.100 -6.487 1.00 0.00 O ATOM 902 CB GLN A 53 8.381 -2.360 -9.026 1.00 0.00 C ATOM 903 CG GLN A 53 7.575 -2.247 -10.332 1.00 0.00 C ATOM 904 CD GLN A 53 8.414 -1.662 -11.462 1.00 0.00 C ATOM 905 OE1 GLN A 53 8.919 -2.356 -12.335 1.00 0.00 O ATOM 906 NE2 GLN A 53 8.597 -0.357 -11.479 1.00 0.00 N ATOM 0 H GLN A 53 7.102 -0.543 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 53 6.794 -3.413 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.968 -1.453 -8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.087 -3.187 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.211 -3.233 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.699 -1.620 -10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.179 0.226 -10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.157 0.070 -12.217 1.00 0.00 H new ATOM 915 N ASN A 54 8.481 -2.048 -5.604 1.00 0.00 N ATOM 916 CA ASN A 54 9.365 -2.215 -4.437 1.00 0.00 C ATOM 917 C ASN A 54 8.642 -2.224 -3.078 1.00 0.00 C ATOM 918 O ASN A 54 9.264 -2.508 -2.051 1.00 0.00 O ATOM 919 CB ASN A 54 10.475 -1.153 -4.493 1.00 0.00 C ATOM 920 CG ASN A 54 11.240 -1.185 -5.804 1.00 0.00 C ATOM 921 OD1 ASN A 54 11.912 -2.150 -6.145 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.139 -0.143 -6.595 1.00 0.00 N ATOM 0 H ASN A 54 8.001 -1.148 -5.615 1.00 0.00 H new ATOM 0 HA ASN A 54 9.799 -3.212 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.036 -0.165 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.168 -1.312 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.620 -0.137 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.579 0.661 -6.311 1.00 0.00 H new ATOM 929 N ILE A 55 7.335 -1.959 -3.066 1.00 0.00 N ATOM 930 CA ILE A 55 6.467 -2.178 -1.898 1.00 0.00 C ATOM 931 C ILE A 55 6.203 -3.671 -1.661 1.00 0.00 C ATOM 932 O ILE A 55 6.327 -4.497 -2.569 1.00 0.00 O ATOM 933 CB ILE A 55 5.142 -1.384 -1.982 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.161 -1.947 -3.029 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.413 0.108 -2.211 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.859 -1.148 -3.101 1.00 0.00 C ATOM 0 H ILE A 55 6.839 -1.582 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 55 7.012 -1.792 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 55 4.648 -1.501 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.639 -1.945 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.933 -2.985 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.466 0.645 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.005 0.501 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.960 0.239 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.204 -1.587 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.363 -1.172 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.080 -0.115 -3.370 1.00 0.00 H new ATOM 948 N THR A 56 5.781 -4.009 -0.444 1.00 0.00 N ATOM 949 CA THR A 56 5.392 -5.364 -0.033 1.00 0.00 C ATOM 950 C THR A 56 4.077 -5.334 0.732 1.00 0.00 C ATOM 951 O THR A 56 3.830 -4.393 1.477 1.00 0.00 O ATOM 952 CB THR A 56 6.485 -6.022 0.838 1.00 0.00 C ATOM 953 OG1 THR A 56 7.185 -5.083 1.624 1.00 0.00 O ATOM 954 CG2 THR A 56 7.512 -6.759 -0.020 1.00 0.00 C ATOM 0 H THR A 56 5.696 -3.328 0.310 1.00 0.00 H new ATOM 0 HA THR A 56 5.267 -5.958 -0.938 1.00 0.00 H new ATOM 0 HB THR A 56 5.957 -6.720 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.963 -5.515 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.267 -7.210 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.013 -7.538 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.990 -6.055 -0.701 1.00 0.00 H new ATOM 962 N ALA A 57 3.245 -6.373 0.611 1.00 0.00 N ATOM 963 CA ALA A 57 1.975 -6.488 1.331 1.00 0.00 C ATOM 964 C ALA A 57 2.176 -6.551 2.853 1.00 0.00 C ATOM 965 O ALA A 57 1.327 -6.087 3.602 1.00 0.00 O ATOM 966 CB ALA A 57 1.247 -7.742 0.836 1.00 0.00 C ATOM 0 H ALA A 57 3.438 -7.168 0.002 1.00 0.00 H new ATOM 0 HA ALA A 57 1.379 -5.598 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.298 -7.843 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.061 -7.656 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.864 -8.620 1.028 1.00 0.00 H new ATOM 972 N ILE A 58 3.325 -7.064 3.303 1.00 0.00 N ATOM 973 CA ILE A 58 3.743 -7.103 4.711 1.00 0.00 C ATOM 974 C ILE A 58 3.922 -5.675 5.236 1.00 0.00 C ATOM 975 O ILE A 58 3.409 -5.309 6.293 1.00 0.00 O ATOM 976 CB ILE A 58 5.074 -7.888 4.827 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.909 -9.420 4.662 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.730 -7.652 6.203 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.421 -9.916 3.294 1.00 0.00 C ATOM 0 H ILE A 58 4.015 -7.478 2.677 1.00 0.00 H new ATOM 0 HA ILE A 58 2.980 -7.602 5.308 1.00 0.00 H new ATOM 0 HB ILE A 58 5.693 -7.511 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.870 -9.891 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.210 -9.771 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.663 -8.213 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.937 -6.589 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.055 -7.987 6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.347 -11.003 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.442 -9.488 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.127 -9.609 2.523 1.00 0.00 H new ATOM 991 N THR A 59 4.647 -4.857 4.477 1.00 0.00 N ATOM 992 CA THR A 59 4.980 -3.481 4.851 1.00 0.00 C ATOM 993 C THR A 59 3.789 -2.558 4.626 1.00 0.00 C ATOM 994 O THR A 59 3.483 -1.744 5.487 1.00 0.00 O ATOM 995 CB THR A 59 6.214 -3.038 4.065 1.00 0.00 C ATOM 996 OG1 THR A 59 7.300 -3.876 4.398 1.00 0.00 O ATOM 997 CG2 THR A 59 6.646 -1.612 4.382 1.00 0.00 C ATOM 0 H THR A 59 5.026 -5.133 3.571 1.00 0.00 H new ATOM 0 HA THR A 59 5.214 -3.430 5.914 1.00 0.00 H new ATOM 0 HB THR A 59 5.944 -3.096 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.501 -4.467 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.527 -1.359 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.836 -0.924 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.885 -1.531 5.442 1.00 0.00 H new ATOM 1005 N LEU A 60 3.037 -2.726 3.536 1.00 0.00 N ATOM 1006 CA LEU A 60 1.795 -2.004 3.264 1.00 0.00 C ATOM 1007 C LEU A 60 0.707 -2.322 4.311 1.00 0.00 C ATOM 1008 O LEU A 60 0.034 -1.409 4.784 1.00 0.00 O ATOM 1009 CB LEU A 60 1.372 -2.329 1.816 1.00 0.00 C ATOM 1010 CG LEU A 60 0.294 -1.402 1.228 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.874 -0.017 0.976 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.197 -1.945 -0.111 1.00 0.00 C ATOM 0 H LEU A 60 3.283 -3.387 2.799 1.00 0.00 H new ATOM 0 HA LEU A 60 1.948 -0.928 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.254 -2.285 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.005 -3.355 1.783 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.528 -1.349 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.102 0.630 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.233 0.404 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.703 -0.092 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.959 -1.280 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.639 -2.005 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.622 -2.938 0.033 1.00 0.00 H new ATOM 1024 N SER A 61 0.627 -3.574 4.786 1.00 0.00 N ATOM 1025 CA SER A 61 -0.195 -3.987 5.938 1.00 0.00 C ATOM 1026 C SER A 61 0.111 -3.180 7.204 1.00 0.00 C ATOM 1027 O SER A 61 -0.769 -2.893 8.017 1.00 0.00 O ATOM 1028 CB SER A 61 -0.021 -5.491 6.191 1.00 0.00 C ATOM 1029 OG SER A 61 -0.726 -5.934 7.332 1.00 0.00 O ATOM 0 H SER A 61 1.145 -4.348 4.370 1.00 0.00 H new ATOM 0 HA SER A 61 -1.235 -3.780 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.365 -6.045 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.039 -5.715 6.313 1.00 0.00 H new ATOM 0 HG SER A 61 -1.506 -5.359 7.478 1.00 0.00 H new ATOM 1035 N LYS A 62 1.354 -2.718 7.324 1.00 0.00 N ATOM 1036 CA LYS A 62 1.862 -1.963 8.470 1.00 0.00 C ATOM 1037 C LYS A 62 1.809 -0.443 8.275 1.00 0.00 C ATOM 1038 O LYS A 62 1.487 0.273 9.223 1.00 0.00 O ATOM 1039 CB LYS A 62 3.274 -2.447 8.829 1.00 0.00 C ATOM 1040 CG LYS A 62 3.241 -3.832 9.491 1.00 0.00 C ATOM 1041 CD LYS A 62 4.671 -4.358 9.651 1.00 0.00 C ATOM 1042 CE LYS A 62 4.732 -5.686 10.421 1.00 0.00 C ATOM 1043 NZ LYS A 62 4.540 -5.497 11.884 1.00 0.00 N ATOM 0 H LYS A 62 2.060 -2.863 6.602 1.00 0.00 H new ATOM 0 HA LYS A 62 1.195 -2.161 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.886 -2.487 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.745 -1.731 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.754 -3.770 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.654 -4.522 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.116 -4.494 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.272 -3.613 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.965 -6.360 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.695 -6.164 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.589 -6.419 12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.286 -4.875 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.610 -5.065 12.059 1.00 0.00 H new ATOM 1057 N LYS A 63 2.054 0.056 7.055 1.00 0.00 N ATOM 1058 CA LYS A 63 2.067 1.486 6.703 1.00 0.00 C ATOM 1059 C LYS A 63 0.705 2.150 6.929 1.00 0.00 C ATOM 1060 O LYS A 63 0.657 3.301 7.358 1.00 0.00 O ATOM 1061 CB LYS A 63 2.508 1.609 5.232 1.00 0.00 C ATOM 1062 CG LYS A 63 3.994 1.270 5.003 1.00 0.00 C ATOM 1063 CD LYS A 63 4.846 2.506 4.694 1.00 0.00 C ATOM 1064 CE LYS A 63 6.324 2.159 4.476 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.031 1.853 5.749 1.00 0.00 N ATOM 0 H LYS A 63 2.256 -0.546 6.256 1.00 0.00 H new ATOM 0 HA LYS A 63 2.767 2.010 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.895 0.947 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.319 2.626 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.389 0.775 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.077 0.562 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.456 2.999 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.760 3.217 5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.398 1.301 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.820 2.993 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.026 1.625 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.986 2.680 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.576 1.040 6.212 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.389 1.419 6.679 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.770 1.920 6.782 1.00 0.00 C ATOM 1081 C LEU A 64 -2.611 1.231 7.879 1.00 0.00 C ATOM 1082 O LEU A 64 -3.804 1.512 7.996 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.455 1.879 5.401 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.665 2.578 4.286 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -0.870 1.595 3.428 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.610 3.294 3.342 1.00 0.00 C ATOM 0 H LEU A 64 -0.340 0.441 6.393 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.705 2.958 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.617 0.839 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.438 2.344 5.481 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.986 3.266 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.330 2.141 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.160 1.056 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.553 0.885 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.036 3.785 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.294 2.572 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.181 4.040 3.895 1.00 0.00 H new ATOM 1098 N ASN A 65 -1.993 0.373 8.700 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.615 -0.393 9.795 1.00 0.00 C ATOM 1100 C ASN A 65 -3.788 -1.286 9.325 1.00 0.00 C ATOM 1101 O ASN A 65 -4.933 -1.135 9.761 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.981 0.541 10.971 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.871 1.496 11.373 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -0.963 1.158 12.120 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.909 2.720 10.890 1.00 0.00 N ATOM 0 H ASN A 65 -0.994 0.182 8.617 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.873 -1.101 10.165 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.864 1.120 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.252 -0.068 11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.180 3.389 11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.667 2.999 10.267 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.495 -2.204 8.400 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.449 -3.065 7.679 1.00 0.00 C ATOM 1114 C ILE A 66 -4.070 -4.556 7.827 1.00 0.00 C ATOM 1115 O ILE A 66 -3.270 -4.912 8.694 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.586 -2.572 6.207 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.341 -1.836 5.655 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.805 -1.635 6.140 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.325 -1.700 4.126 1.00 0.00 C ATOM 0 H ILE A 66 -2.532 -2.380 8.115 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.442 -2.986 8.122 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.701 -3.456 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.293 -0.842 6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.445 -2.370 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.929 -1.271 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.700 -2.180 6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.651 -0.789 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.422 -1.174 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.341 -2.691 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.201 -1.139 3.801 1.00 0.00 H new ATOM 1131 N THR A 67 -4.685 -5.448 7.040 1.00 0.00 N ATOM 1132 CA THR A 67 -4.298 -6.870 6.932 1.00 0.00 C ATOM 1133 C THR A 67 -3.383 -7.095 5.728 1.00 0.00 C ATOM 1134 O THR A 67 -3.395 -6.307 4.778 1.00 0.00 O ATOM 1135 CB THR A 67 -5.511 -7.824 6.889 1.00 0.00 C ATOM 1136 OG1 THR A 67 -5.985 -8.001 5.572 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.699 -7.363 7.736 1.00 0.00 C ATOM 0 H THR A 67 -5.479 -5.203 6.449 1.00 0.00 H new ATOM 0 HA THR A 67 -3.748 -7.112 7.841 1.00 0.00 H new ATOM 0 HB THR A 67 -5.127 -8.757 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.752 -8.611 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.509 -8.087 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.392 -7.281 8.779 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.043 -6.391 7.382 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.629 -8.202 5.716 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.808 -8.598 4.554 1.00 0.00 C ATOM 1147 C VAL A 68 -2.679 -8.901 3.331 1.00 0.00 C ATOM 1148 O VAL A 68 -2.249 -8.656 2.210 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.894 -9.799 4.888 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.025 -10.242 3.699 1.00 0.00 C ATOM 1151 CG2 VAL A 68 0.068 -9.447 6.034 1.00 0.00 C ATOM 0 H VAL A 68 -2.568 -8.847 6.504 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.168 -7.750 4.309 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.570 -10.609 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.594 -11.088 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.667 -10.536 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.615 -9.416 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.702 -10.306 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.690 -8.602 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.506 -9.183 6.923 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.924 -9.352 3.508 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.811 -9.681 2.386 1.00 0.00 C ATOM 1163 C GLU A 69 -5.404 -8.403 1.792 1.00 0.00 C ATOM 1164 O GLU A 69 -5.457 -8.246 0.571 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.923 -10.639 2.845 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.408 -12.020 3.282 1.00 0.00 C ATOM 1167 CD GLU A 69 -4.730 -12.780 2.124 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -3.482 -12.915 2.128 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -5.442 -13.253 1.205 1.00 0.00 O ATOM 0 H GLU A 69 -4.344 -9.499 4.426 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.230 -10.182 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.463 -10.183 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.638 -10.768 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.698 -11.899 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.239 -12.612 3.666 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.765 -7.446 2.657 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.277 -6.126 2.290 1.00 0.00 C ATOM 1178 C LYS A 70 -5.210 -5.323 1.545 1.00 0.00 C ATOM 1179 O LYS A 70 -5.458 -4.800 0.460 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.763 -5.454 3.587 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.702 -4.257 3.419 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.060 -2.980 2.861 1.00 0.00 C ATOM 1183 CE LYS A 70 -7.919 -1.749 3.189 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.146 -1.669 2.354 1.00 0.00 N ATOM 0 H LYS A 70 -5.705 -7.578 3.667 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.115 -6.194 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.271 -6.205 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.890 -5.127 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.519 -4.549 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.143 -4.026 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.062 -2.855 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.942 -3.069 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.201 -1.778 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.325 -0.847 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.910 -1.223 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.952 -1.101 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.436 -2.627 2.071 1.00 0.00 H new ATOM 1198 N ALA A 71 -4.000 -5.319 2.096 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.790 -4.762 1.493 1.00 0.00 C ATOM 1200 C ALA A 71 -2.437 -5.402 0.135 1.00 0.00 C ATOM 1201 O ALA A 71 -2.206 -4.697 -0.849 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.646 -4.948 2.494 1.00 0.00 C ATOM 0 H ALA A 71 -3.827 -5.722 3.017 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.961 -3.707 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.726 -4.542 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.884 -4.425 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.513 -6.010 2.701 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.438 -6.738 0.040 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.080 -7.476 -1.175 1.00 0.00 C ATOM 1210 C LYS A 72 -3.117 -7.273 -2.269 1.00 0.00 C ATOM 1211 O LYS A 72 -2.764 -7.268 -3.443 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.890 -8.955 -0.794 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.508 -9.876 -1.957 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.104 -11.272 -1.445 1.00 0.00 C ATOM 1215 CE LYS A 72 0.333 -11.345 -0.902 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.350 -11.332 -1.990 1.00 0.00 N ATOM 0 H LYS A 72 -2.692 -7.345 0.819 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.146 -7.099 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.117 -9.022 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.814 -9.322 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.348 -9.966 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.682 -9.437 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.795 -11.573 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.212 -11.991 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.509 -10.503 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.449 -12.253 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.302 -11.383 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.200 -12.150 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.258 -10.454 -2.540 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.371 -7.006 -1.903 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.431 -6.718 -2.861 1.00 0.00 C ATOM 1232 C ASN A 73 -5.082 -5.520 -3.774 1.00 0.00 C ATOM 1233 O ASN A 73 -5.313 -5.596 -4.982 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.780 -6.595 -2.111 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.548 -5.323 -2.419 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -8.317 -5.261 -3.365 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.326 -4.275 -1.660 1.00 0.00 N ATOM 0 H ASN A 73 -4.678 -6.984 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.534 -7.549 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.403 -7.453 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.592 -6.642 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.799 -3.393 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.681 -4.343 -0.873 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.444 -4.472 -3.232 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.952 -3.308 -3.972 1.00 0.00 C ATOM 1246 C TYR A 74 -2.855 -3.709 -4.953 1.00 0.00 C ATOM 1247 O TYR A 74 -2.906 -3.330 -6.116 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.404 -2.235 -3.020 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.414 -1.647 -2.056 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -5.489 -0.872 -2.534 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -4.250 -1.848 -0.675 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -6.418 -0.319 -1.631 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -5.174 -1.295 0.232 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.271 -0.545 -0.245 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.183 -0.046 0.633 1.00 0.00 O ATOM 0 H TYR A 74 -4.251 -4.413 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.798 -2.898 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.586 -2.668 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.981 -1.426 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.601 -0.702 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.415 -2.427 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.241 0.277 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.044 -1.445 1.294 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.988 0.231 0.147 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.907 -4.529 -4.495 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.738 -4.986 -5.262 1.00 0.00 C ATOM 1267 C ILE A 75 -1.147 -5.952 -6.392 1.00 0.00 C ATOM 1268 O ILE A 75 -0.479 -6.010 -7.424 1.00 0.00 O ATOM 1269 CB ILE A 75 0.303 -5.585 -4.280 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.730 -4.513 -3.241 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.540 -6.124 -5.023 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.644 -5.020 -2.119 1.00 0.00 C ATOM 0 H ILE A 75 -1.929 -4.908 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.270 -4.142 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.167 -6.423 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.239 -3.704 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.167 -4.087 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.247 -6.535 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.235 -6.906 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.015 -5.313 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.885 -4.197 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.135 -5.806 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.563 -5.418 -2.550 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.268 -6.673 -6.244 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.813 -7.587 -7.259 1.00 0.00 C ATOM 1286 C LYS A 76 -3.579 -6.869 -8.365 1.00 0.00 C ATOM 1287 O LYS A 76 -3.460 -7.282 -9.516 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.660 -8.695 -6.607 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.764 -9.681 -5.843 1.00 0.00 C ATOM 1290 CD LYS A 76 -3.447 -11.005 -5.466 1.00 0.00 C ATOM 1291 CE LYS A 76 -4.630 -10.827 -4.505 1.00 0.00 C ATOM 1292 NZ LYS A 76 -5.175 -12.141 -4.067 1.00 0.00 N ATOM 0 H LYS A 76 -2.834 -6.636 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.957 -8.055 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.386 -8.252 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.225 -9.227 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.886 -9.900 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.409 -9.198 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.796 -11.497 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.712 -11.667 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.310 -10.255 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.415 -10.250 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.973 -11.987 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.502 -12.676 -4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.431 -12.680 -3.579 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.339 -5.806 -8.058 1.00 0.00 N ATOM 1307 CA ASN A 77 -5.048 -5.060 -9.098 1.00 0.00 C ATOM 1308 C ASN A 77 -4.182 -3.959 -9.699 1.00 0.00 C ATOM 1309 O ASN A 77 -4.203 -3.773 -10.917 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.388 -4.487 -8.636 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.359 -3.264 -7.742 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -6.475 -2.133 -8.186 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.246 -3.440 -6.454 1.00 0.00 N ATOM 0 H ASN A 77 -4.475 -5.451 -7.111 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.269 -5.795 -9.872 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.971 -4.240 -9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.926 -5.275 -8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.255 -2.636 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.149 -4.382 -6.075 1.00 0.00 H new ATOM 1597 N GLU A 95 -6.499 17.788 -19.102 1.00 0.00 N ATOM 1598 CA GLU A 95 -7.601 17.845 -20.077 1.00 0.00 C ATOM 1599 C GLU A 95 -8.544 19.041 -19.802 1.00 0.00 C ATOM 1600 O GLU A 95 -8.686 19.487 -18.660 1.00 0.00 O ATOM 1601 CB GLU A 95 -8.349 16.497 -20.053 1.00 0.00 C ATOM 1602 CG GLU A 95 -9.243 16.274 -21.280 1.00 0.00 C ATOM 1603 CD GLU A 95 -9.861 14.862 -21.261 1.00 0.00 C ATOM 1604 OE1 GLU A 95 -11.036 14.710 -20.844 1.00 0.00 O ATOM 1605 OE2 GLU A 95 -9.178 13.889 -21.667 1.00 0.00 O ATOM 0 HA GLU A 95 -7.197 18.009 -21.076 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.622 15.687 -19.991 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.961 16.446 -19.153 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.036 17.022 -21.298 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.658 16.407 -22.190 1.00 0.00 H new ATOM 1612 N GLU A 96 -9.202 19.568 -20.841 1.00 0.00 N ATOM 1613 CA GLU A 96 -10.078 20.744 -20.771 1.00 0.00 C ATOM 1614 C GLU A 96 -11.555 20.356 -20.914 1.00 0.00 C ATOM 1615 O GLU A 96 -12.027 19.982 -21.991 1.00 0.00 O ATOM 1616 CB GLU A 96 -9.622 21.785 -21.808 1.00 0.00 C ATOM 1617 CG GLU A 96 -10.406 23.101 -21.705 1.00 0.00 C ATOM 1618 CD GLU A 96 -9.771 24.192 -22.591 1.00 0.00 C ATOM 1619 OE1 GLU A 96 -9.110 25.111 -22.047 1.00 0.00 O ATOM 1620 OE2 GLU A 96 -9.925 24.143 -23.836 1.00 0.00 O ATOM 0 H GLU A 96 -9.138 19.177 -21.781 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.993 21.201 -19.785 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.560 21.987 -21.672 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.742 21.372 -22.810 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.440 22.937 -22.008 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.427 23.436 -20.668 1.00 0.00 H new ATOM 1627 N VAL A 97 -12.284 20.478 -19.802 1.00 0.00 N ATOM 1628 CA VAL A 97 -13.737 20.272 -19.702 1.00 0.00 C ATOM 1629 C VAL A 97 -14.372 21.496 -19.035 1.00 0.00 C ATOM 1630 O VAL A 97 -14.436 21.589 -17.807 1.00 0.00 O ATOM 1631 CB VAL A 97 -14.075 18.976 -18.937 1.00 0.00 C ATOM 1632 CG1 VAL A 97 -15.590 18.743 -18.885 1.00 0.00 C ATOM 1633 CG2 VAL A 97 -13.429 17.743 -19.578 1.00 0.00 C ATOM 0 H VAL A 97 -11.864 20.733 -18.908 1.00 0.00 H new ATOM 0 HA VAL A 97 -14.148 20.157 -20.705 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.678 19.109 -17.931 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.798 17.822 -18.340 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -16.070 19.581 -18.379 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.980 18.660 -19.899 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -13.694 16.854 -19.006 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.787 17.636 -20.602 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -12.345 17.861 -19.583 1.00 0.00 H new ATOM 1643 N SER A 98 -14.788 22.462 -19.856 1.00 0.00 N ATOM 1644 CA SER A 98 -15.487 23.687 -19.427 1.00 0.00 C ATOM 1645 C SER A 98 -16.053 24.474 -20.621 1.00 0.00 C ATOM 1646 O SER A 98 -17.150 25.037 -20.540 1.00 0.00 O ATOM 1647 CB SER A 98 -14.508 24.581 -18.650 1.00 0.00 C ATOM 1648 OG SER A 98 -15.140 25.759 -18.172 1.00 0.00 O ATOM 0 H SER A 98 -14.647 22.418 -20.865 1.00 0.00 H new ATOM 0 HA SER A 98 -16.324 23.391 -18.794 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.094 24.023 -17.810 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.672 24.852 -19.295 1.00 0.00 H new ATOM 0 HG SER A 98 -14.489 26.303 -17.682 1.00 0.00 H new ATOM 1654 N SER A 99 -15.323 24.490 -21.744 1.00 0.00 N ATOM 1655 CA SER A 99 -15.721 25.134 -23.001 1.00 0.00 C ATOM 1656 C SER A 99 -15.339 24.274 -24.211 1.00 0.00 C ATOM 1657 O SER A 99 -14.192 23.834 -24.330 1.00 0.00 O ATOM 1658 CB SER A 99 -15.065 26.517 -23.102 1.00 0.00 C ATOM 1659 OG SER A 99 -15.533 27.206 -24.251 1.00 0.00 O ATOM 0 H SER A 99 -14.410 24.040 -21.804 1.00 0.00 H new ATOM 0 HA SER A 99 -16.805 25.246 -23.003 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.287 27.098 -22.207 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.981 26.409 -23.151 1.00 0.00 H new ATOM 0 HG SER A 99 -15.107 28.087 -24.300 1.00 0.00 H new ATOM 1665 N MET A 100 -16.302 24.053 -25.113 1.00 0.00 N ATOM 1666 CA MET A 100 -16.147 23.368 -26.410 1.00 0.00 C ATOM 1667 C MET A 100 -15.460 21.988 -26.309 1.00 0.00 C ATOM 1668 O MET A 100 -14.562 21.641 -27.079 1.00 0.00 O ATOM 1669 CB MET A 100 -15.511 24.311 -27.446 1.00 0.00 C ATOM 1670 CG MET A 100 -16.390 25.542 -27.714 1.00 0.00 C ATOM 1671 SD MET A 100 -15.763 26.673 -28.990 1.00 0.00 S ATOM 1672 CE MET A 100 -14.404 27.460 -28.082 1.00 0.00 C ATOM 0 H MET A 100 -17.261 24.361 -24.954 1.00 0.00 H new ATOM 0 HA MET A 100 -17.146 23.124 -26.770 1.00 0.00 H new ATOM 0 HB2 MET A 100 -14.532 24.634 -27.091 1.00 0.00 H new ATOM 0 HB3 MET A 100 -15.349 23.770 -28.378 1.00 0.00 H new ATOM 0 HG2 MET A 100 -17.384 25.203 -28.007 1.00 0.00 H new ATOM 0 HG3 MET A 100 -16.505 26.097 -26.783 1.00 0.00 H new ATOM 0 HE1 MET A 100 -13.910 28.188 -28.726 1.00 0.00 H new ATOM 0 HE2 MET A 100 -14.800 27.965 -27.201 1.00 0.00 H new ATOM 0 HE3 MET A 100 -13.685 26.701 -27.773 1.00 0.00 H new ATOM 1682 N GLU A 101 -15.906 21.190 -25.340 1.00 0.00 N ATOM 1683 CA GLU A 101 -15.391 19.851 -25.006 1.00 0.00 C ATOM 1684 C GLU A 101 -16.010 18.700 -25.839 1.00 0.00 C ATOM 1685 O GLU A 101 -15.739 17.522 -25.587 1.00 0.00 O ATOM 1686 CB GLU A 101 -15.513 19.614 -23.484 1.00 0.00 C ATOM 1687 CG GLU A 101 -16.952 19.584 -22.940 1.00 0.00 C ATOM 1688 CD GLU A 101 -17.478 20.996 -22.623 1.00 0.00 C ATOM 1689 OE1 GLU A 101 -17.303 21.461 -21.473 1.00 0.00 O ATOM 1690 OE2 GLU A 101 -18.046 21.652 -23.529 1.00 0.00 O ATOM 0 H GLU A 101 -16.676 21.469 -24.732 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.338 19.835 -25.287 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.029 18.668 -23.240 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.961 20.398 -22.965 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.606 19.109 -23.671 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.986 18.973 -22.038 1.00 0.00 H new ATOM 1697 N ALA A 102 -16.853 19.025 -26.826 1.00 0.00 N ATOM 1698 CA ALA A 102 -17.574 18.074 -27.679 1.00 0.00 C ATOM 1699 C ALA A 102 -16.686 17.379 -28.742 1.00 0.00 C ATOM 1700 O ALA A 102 -15.592 17.847 -29.074 1.00 0.00 O ATOM 1701 CB ALA A 102 -18.753 18.818 -28.323 1.00 0.00 C ATOM 0 H ALA A 102 -17.059 19.996 -27.061 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.929 17.256 -27.053 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -19.308 18.134 -28.964 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -19.412 19.200 -27.543 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -18.377 19.649 -28.919 1.00 0.00 H new ATOM 1707 N LYS A 103 -17.193 16.270 -29.304 1.00 0.00 N ATOM 1708 CA LYS A 103 -16.568 15.467 -30.377 1.00 0.00 C ATOM 1709 C LYS A 103 -17.366 15.536 -31.688 1.00 0.00 C ATOM 1710 O LYS A 103 -18.581 15.745 -31.673 1.00 0.00 O ATOM 1711 CB LYS A 103 -16.399 14.007 -29.913 1.00 0.00 C ATOM 1712 CG LYS A 103 -15.351 13.869 -28.795 1.00 0.00 C ATOM 1713 CD LYS A 103 -15.249 12.440 -28.242 1.00 0.00 C ATOM 1714 CE LYS A 103 -14.794 11.424 -29.299 1.00 0.00 C ATOM 1715 NZ LYS A 103 -14.645 10.063 -28.718 1.00 0.00 N ATOM 0 H LYS A 103 -18.092 15.888 -29.011 1.00 0.00 H new ATOM 0 HA LYS A 103 -15.585 15.891 -30.582 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -17.357 13.627 -29.559 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -16.105 13.390 -30.762 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.377 14.175 -29.177 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.603 14.550 -27.982 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.548 12.428 -27.407 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -16.219 12.138 -27.848 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.518 11.396 -30.113 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.844 11.744 -29.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.337 9.401 -29.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.936 10.086 -27.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.558 9.749 -28.331 1.00 0.00 H new