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 70 LYS NZ :NH3+ 153:sc= 0.326 (180deg=0) USER MOD Set 1.2: A 74 TYR OH : rot 15:sc= 0.308 USER MOD Set 2.1: A 56 THR OG1 : rot -170:sc= 0.739 USER MOD Set 2.2: A 59 THR OG1 : rot 109:sc= 0.829 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0342) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.000352 (180deg=-0.078) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 1.05 (180deg=0.856) USER MOD Single : A 9 ASN : amide:sc= 0.431 X(o=0.43,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= 0.591 K(o=0.59,f=-1.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.143 USER MOD Single : A 53 GLN : amide:sc= 0.882 K(o=0.88,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 61 SER OG : rot -35:sc= 0.302 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= 0.587 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.068) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -176:sc= 0 (180deg=-0.0165) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -20.853 -44.903 23.268 1.00 0.00 N ATOM 77 CA MET A 1 -20.970 -44.679 21.816 1.00 0.00 C ATOM 78 C MET A 1 -21.060 -43.175 21.500 1.00 0.00 C ATOM 79 O MET A 1 -21.799 -42.445 22.163 1.00 0.00 O ATOM 80 CB MET A 1 -22.216 -45.389 21.250 1.00 0.00 C ATOM 81 CG MET A 1 -22.172 -46.919 21.375 1.00 0.00 C ATOM 82 SD MET A 1 -23.611 -47.795 20.695 1.00 0.00 S ATOM 83 CE MET A 1 -23.348 -47.556 18.916 1.00 0.00 C ATOM 0 H1 MET A 1 -20.641 -45.905 23.449 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.086 -44.313 23.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.749 -44.649 23.732 1.00 0.00 H new ATOM 0 HA MET A 1 -20.077 -45.092 21.348 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.100 -45.017 21.768 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.327 -45.123 20.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.275 -47.282 20.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.074 -47.178 22.429 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.091 -48.127 18.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.446 -46.498 18.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.349 -47.900 18.646 1.00 0.00 H new ATOM 93 N ASP A 2 -20.347 -42.715 20.465 1.00 0.00 N ATOM 94 CA ASP A 2 -20.344 -41.317 20.001 1.00 0.00 C ATOM 95 C ASP A 2 -20.251 -41.234 18.457 1.00 0.00 C ATOM 96 O ASP A 2 -19.257 -41.697 17.887 1.00 0.00 O ATOM 97 CB ASP A 2 -19.161 -40.553 20.623 1.00 0.00 C ATOM 98 CG ASP A 2 -19.315 -40.326 22.135 1.00 0.00 C ATOM 99 OD1 ASP A 2 -20.055 -39.394 22.534 1.00 0.00 O ATOM 100 OD2 ASP A 2 -18.674 -41.056 22.932 1.00 0.00 O ATOM 0 H ASP A 2 -19.739 -43.318 19.911 1.00 0.00 H new ATOM 0 HA ASP A 2 -21.283 -40.863 20.317 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.241 -41.107 20.437 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.058 -39.588 20.126 1.00 0.00 H new ATOM 105 N PRO A 3 -21.237 -40.636 17.754 1.00 0.00 N ATOM 106 CA PRO A 3 -21.228 -40.515 16.289 1.00 0.00 C ATOM 107 C PRO A 3 -20.448 -39.317 15.739 1.00 0.00 C ATOM 108 O PRO A 3 -20.169 -39.260 14.539 1.00 0.00 O ATOM 109 CB PRO A 3 -22.709 -40.466 15.896 1.00 0.00 C ATOM 110 CG PRO A 3 -23.346 -39.732 17.075 1.00 0.00 C ATOM 111 CD PRO A 3 -22.546 -40.248 18.272 1.00 0.00 C ATOM 0 HA PRO A 3 -20.695 -41.358 15.850 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -22.861 -39.933 14.957 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -23.127 -41.464 15.767 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -23.263 -38.650 16.970 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -24.407 -39.963 17.169 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -22.449 -39.477 19.036 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.047 -41.097 18.738 1.00 0.00 H new ATOM 119 N LEU A 4 -20.074 -38.382 16.608 1.00 0.00 N ATOM 120 CA LEU A 4 -19.575 -37.047 16.262 1.00 0.00 C ATOM 121 C LEU A 4 -18.062 -36.849 16.504 1.00 0.00 C ATOM 122 O LEU A 4 -17.615 -35.743 16.799 1.00 0.00 O ATOM 123 CB LEU A 4 -20.472 -35.987 16.922 1.00 0.00 C ATOM 124 CG LEU A 4 -20.390 -35.967 18.463 1.00 0.00 C ATOM 125 CD1 LEU A 4 -19.945 -34.599 18.970 1.00 0.00 C ATOM 126 CD2 LEU A 4 -21.755 -36.291 19.060 1.00 0.00 C ATOM 0 H LEU A 4 -20.110 -38.537 17.616 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.648 -36.925 15.181 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.196 -35.004 16.541 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -21.506 -36.165 16.626 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.658 -36.715 18.769 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.896 -34.613 20.059 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.961 -34.363 18.565 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -20.660 -33.842 18.649 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.689 -36.275 20.148 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -22.482 -35.549 18.729 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -22.071 -37.281 18.730 1.00 0.00 H new ATOM 138 N ASP A 5 -17.261 -37.914 16.398 1.00 0.00 N ATOM 139 CA ASP A 5 -15.827 -37.884 16.748 1.00 0.00 C ATOM 140 C ASP A 5 -14.842 -37.858 15.568 1.00 0.00 C ATOM 141 O ASP A 5 -13.633 -37.708 15.777 1.00 0.00 O ATOM 142 CB ASP A 5 -15.509 -39.042 17.712 1.00 0.00 C ATOM 143 CG ASP A 5 -15.365 -38.548 19.160 1.00 0.00 C ATOM 144 OD1 ASP A 5 -16.399 -38.334 19.837 1.00 0.00 O ATOM 145 OD2 ASP A 5 -14.215 -38.371 19.630 1.00 0.00 O ATOM 0 H ASP A 5 -17.583 -38.824 16.068 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.669 -36.920 17.231 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.301 -39.789 17.659 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.587 -39.533 17.401 1.00 0.00 H new ATOM 150 N LYS A 6 -15.344 -38.003 14.337 1.00 0.00 N ATOM 151 CA LYS A 6 -14.512 -38.223 13.132 1.00 0.00 C ATOM 152 C LYS A 6 -14.818 -37.352 11.902 1.00 0.00 C ATOM 153 O LYS A 6 -13.903 -37.072 11.127 1.00 0.00 O ATOM 154 CB LYS A 6 -14.447 -39.731 12.801 1.00 0.00 C ATOM 155 CG LYS A 6 -15.674 -40.385 12.139 1.00 0.00 C ATOM 156 CD LYS A 6 -16.930 -40.504 13.017 1.00 0.00 C ATOM 157 CE LYS A 6 -17.992 -41.306 12.251 1.00 0.00 C ATOM 158 NZ LYS A 6 -19.216 -41.518 13.064 1.00 0.00 N ATOM 0 H LYS A 6 -16.344 -37.972 14.139 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.521 -37.863 13.408 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.591 -39.891 12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.244 -40.267 13.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.930 -39.811 11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.393 -41.384 11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.688 -40.999 13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.312 -39.514 13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.252 -40.780 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.578 -42.271 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.002 -41.798 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.043 -42.269 13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.462 -40.636 13.558 1.00 0.00 H new ATOM 172 N ILE A 7 -16.066 -36.904 11.729 1.00 0.00 N ATOM 173 CA ILE A 7 -16.540 -36.090 10.580 1.00 0.00 C ATOM 174 C ILE A 7 -17.417 -34.890 10.991 1.00 0.00 C ATOM 175 O ILE A 7 -18.107 -34.301 10.159 1.00 0.00 O ATOM 176 CB ILE A 7 -17.224 -36.979 9.504 1.00 0.00 C ATOM 177 CG1 ILE A 7 -18.321 -37.927 10.045 1.00 0.00 C ATOM 178 CG2 ILE A 7 -16.168 -37.805 8.750 1.00 0.00 C ATOM 179 CD1 ILE A 7 -19.586 -37.233 10.564 1.00 0.00 C ATOM 0 H ILE A 7 -16.807 -37.099 12.402 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.650 -35.649 10.131 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.729 -36.280 8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.605 -38.618 9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.897 -38.525 10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.659 -38.424 7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -15.461 -37.134 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -15.635 -38.444 9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -20.292 -37.983 10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -19.324 -36.563 11.383 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -20.043 -36.659 9.758 1.00 0.00 H new ATOM 191 N ILE A 8 -17.419 -34.537 12.283 1.00 0.00 N ATOM 192 CA ILE A 8 -18.299 -33.514 12.879 1.00 0.00 C ATOM 193 C ILE A 8 -18.156 -32.148 12.167 1.00 0.00 C ATOM 194 O ILE A 8 -17.099 -31.512 12.203 1.00 0.00 O ATOM 195 CB ILE A 8 -18.074 -33.462 14.412 1.00 0.00 C ATOM 196 CG1 ILE A 8 -19.213 -32.758 15.189 1.00 0.00 C ATOM 197 CG2 ILE A 8 -16.688 -32.958 14.854 1.00 0.00 C ATOM 198 CD1 ILE A 8 -19.375 -31.239 15.033 1.00 0.00 C ATOM 0 H ILE A 8 -16.792 -34.965 12.965 1.00 0.00 H new ATOM 0 HA ILE A 8 -19.341 -33.793 12.723 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.101 -34.515 14.693 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -20.153 -33.224 14.894 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -19.071 -32.969 16.249 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -16.631 -32.959 15.942 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -15.917 -33.613 14.449 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.534 -31.945 14.483 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.214 -30.898 15.639 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -18.464 -30.740 15.362 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -19.562 -30.999 13.986 1.00 0.00 H new ATOM 210 N ASN A 9 -19.222 -31.697 11.494 1.00 0.00 N ATOM 211 CA ASN A 9 -19.260 -30.415 10.766 1.00 0.00 C ATOM 212 C ASN A 9 -20.644 -29.735 10.772 1.00 0.00 C ATOM 213 O ASN A 9 -20.810 -28.654 10.206 1.00 0.00 O ATOM 214 CB ASN A 9 -18.727 -30.663 9.334 1.00 0.00 C ATOM 215 CG ASN A 9 -17.997 -29.470 8.727 1.00 0.00 C ATOM 216 OD1 ASN A 9 -16.790 -29.486 8.532 1.00 0.00 O ATOM 217 ND2 ASN A 9 -18.686 -28.403 8.392 1.00 0.00 N ATOM 0 H ASN A 9 -20.097 -32.218 11.437 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.620 -29.701 11.285 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.051 -31.518 9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.563 -30.931 8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.214 -27.601 7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.693 -28.376 8.549 1.00 0.00 H new ATOM 224 N ASP A 10 -21.653 -30.333 11.413 1.00 0.00 N ATOM 225 CA ASP A 10 -23.063 -29.965 11.199 1.00 0.00 C ATOM 226 C ASP A 10 -23.547 -28.723 11.975 1.00 0.00 C ATOM 227 O ASP A 10 -24.714 -28.334 11.918 1.00 0.00 O ATOM 228 CB ASP A 10 -23.931 -31.213 11.444 1.00 0.00 C ATOM 229 CG ASP A 10 -25.384 -31.064 10.957 1.00 0.00 C ATOM 230 OD1 ASP A 10 -25.596 -30.820 9.745 1.00 0.00 O ATOM 231 OD2 ASP A 10 -26.322 -31.253 11.771 1.00 0.00 O ATOM 0 H ASP A 10 -21.520 -31.082 12.092 1.00 0.00 H new ATOM 0 HA ASP A 10 -23.165 -29.638 10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -23.475 -32.066 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -23.936 -31.437 12.511 1.00 0.00 H new ATOM 236 N ILE A 11 -22.623 -28.094 12.700 1.00 0.00 N ATOM 237 CA ILE A 11 -22.855 -26.930 13.575 1.00 0.00 C ATOM 238 C ILE A 11 -21.679 -25.937 13.606 1.00 0.00 C ATOM 239 O ILE A 11 -21.519 -25.161 14.551 1.00 0.00 O ATOM 240 CB ILE A 11 -23.355 -27.433 14.958 1.00 0.00 C ATOM 241 CG1 ILE A 11 -24.092 -26.339 15.763 1.00 0.00 C ATOM 242 CG2 ILE A 11 -22.229 -28.108 15.765 1.00 0.00 C ATOM 243 CD1 ILE A 11 -24.915 -26.893 16.934 1.00 0.00 C ATOM 0 H ILE A 11 -21.647 -28.390 12.698 1.00 0.00 H new ATOM 0 HA ILE A 11 -23.648 -26.311 13.156 1.00 0.00 H new ATOM 0 HB ILE A 11 -24.101 -28.202 14.757 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -23.362 -25.627 16.147 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -24.752 -25.788 15.093 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -22.621 -28.445 16.725 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -21.845 -28.964 15.209 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -21.423 -27.394 15.933 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -25.405 -26.071 17.455 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -25.669 -27.583 16.555 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -24.256 -27.419 17.625 1.00 0.00 H new ATOM 255 N LYS A 12 -20.867 -25.928 12.538 1.00 0.00 N ATOM 256 CA LYS A 12 -19.773 -24.961 12.348 1.00 0.00 C ATOM 257 C LYS A 12 -20.017 -23.998 11.182 1.00 0.00 C ATOM 258 O LYS A 12 -19.944 -22.780 11.370 1.00 0.00 O ATOM 259 CB LYS A 12 -18.434 -25.714 12.229 1.00 0.00 C ATOM 260 CG LYS A 12 -17.230 -24.753 12.217 1.00 0.00 C ATOM 261 CD LYS A 12 -15.885 -25.467 12.022 1.00 0.00 C ATOM 262 CE LYS A 12 -15.541 -26.403 13.188 1.00 0.00 C ATOM 263 NZ LYS A 12 -14.202 -27.024 13.007 1.00 0.00 N ATOM 0 H LYS A 12 -20.952 -26.598 11.774 1.00 0.00 H new ATOM 0 HA LYS A 12 -19.732 -24.320 13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -18.334 -26.410 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.432 -26.308 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.365 -24.023 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.207 -24.199 13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.913 -26.041 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.095 -24.724 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.561 -25.844 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.298 -27.183 13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.999 -27.651 13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.192 -27.577 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.478 -26.279 12.957 1.00 0.00 H new ATOM 608 N LEU A 35 -9.808 3.682 0.042 1.00 0.00 N ATOM 609 CA LEU A 35 -8.928 4.133 1.128 1.00 0.00 C ATOM 610 C LEU A 35 -9.549 5.349 1.844 1.00 0.00 C ATOM 611 O LEU A 35 -10.262 6.141 1.217 1.00 0.00 O ATOM 612 CB LEU A 35 -7.562 4.503 0.513 1.00 0.00 C ATOM 613 CG LEU A 35 -6.767 3.303 -0.047 1.00 0.00 C ATOM 614 CD1 LEU A 35 -6.016 3.679 -1.323 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.763 2.781 0.981 1.00 0.00 C ATOM 0 HA LEU A 35 -8.800 3.342 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.722 5.223 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.958 5.000 1.272 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.493 2.522 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.467 2.812 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.728 4.006 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.317 4.487 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.217 1.936 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.061 3.574 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.294 2.460 1.877 1.00 0.00 H new ATOM 627 N SER A 36 -9.250 5.537 3.134 1.00 0.00 N ATOM 628 CA SER A 36 -9.607 6.770 3.869 1.00 0.00 C ATOM 629 C SER A 36 -8.713 7.938 3.427 1.00 0.00 C ATOM 630 O SER A 36 -7.666 7.707 2.830 1.00 0.00 O ATOM 631 CB SER A 36 -9.503 6.552 5.384 1.00 0.00 C ATOM 632 OG SER A 36 -10.459 5.592 5.808 1.00 0.00 O ATOM 0 H SER A 36 -8.757 4.847 3.701 1.00 0.00 H new ATOM 0 HA SER A 36 -10.642 7.020 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.499 6.215 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.667 7.494 5.906 1.00 0.00 H new ATOM 0 HG SER A 36 -10.382 5.460 6.776 1.00 0.00 H new ATOM 638 N GLU A 37 -9.068 9.192 3.720 1.00 0.00 N ATOM 639 CA GLU A 37 -8.344 10.372 3.198 1.00 0.00 C ATOM 640 C GLU A 37 -6.836 10.356 3.521 1.00 0.00 C ATOM 641 O GLU A 37 -6.016 10.578 2.629 1.00 0.00 O ATOM 642 CB GLU A 37 -9.022 11.650 3.716 1.00 0.00 C ATOM 643 CG GLU A 37 -8.405 12.935 3.144 1.00 0.00 C ATOM 644 CD GLU A 37 -9.193 14.178 3.603 1.00 0.00 C ATOM 645 OE1 GLU A 37 -10.104 14.633 2.866 1.00 0.00 O ATOM 646 OE2 GLU A 37 -8.906 14.715 4.701 1.00 0.00 O ATOM 0 H GLU A 37 -9.859 9.425 4.321 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.401 10.343 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.082 11.620 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.954 11.675 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.367 13.019 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.398 12.886 2.055 1.00 0.00 H new ATOM 653 N GLN A 38 -6.450 10.010 4.755 1.00 0.00 N ATOM 654 CA GLN A 38 -5.036 9.860 5.129 1.00 0.00 C ATOM 655 C GLN A 38 -4.415 8.570 4.573 1.00 0.00 C ATOM 656 O GLN A 38 -3.265 8.581 4.135 1.00 0.00 O ATOM 657 CB GLN A 38 -4.840 9.978 6.652 1.00 0.00 C ATOM 658 CG GLN A 38 -5.653 8.987 7.506 1.00 0.00 C ATOM 659 CD GLN A 38 -5.025 8.782 8.883 1.00 0.00 C ATOM 660 OE1 GLN A 38 -5.386 9.412 9.868 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.055 7.896 8.997 1.00 0.00 N ATOM 0 H GLN A 38 -7.102 9.827 5.518 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.499 10.686 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.782 9.840 6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.101 10.992 6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.672 9.357 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.718 8.029 6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.749 7.367 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.611 7.740 9.902 1.00 0.00 H new ATOM 670 N GLN A 39 -5.173 7.468 4.526 1.00 0.00 N ATOM 671 CA GLN A 39 -4.700 6.194 3.976 1.00 0.00 C ATOM 672 C GLN A 39 -4.388 6.314 2.483 1.00 0.00 C ATOM 673 O GLN A 39 -3.372 5.806 2.025 1.00 0.00 O ATOM 674 CB GLN A 39 -5.713 5.074 4.243 1.00 0.00 C ATOM 675 CG GLN A 39 -5.682 4.618 5.710 1.00 0.00 C ATOM 676 CD GLN A 39 -6.641 3.458 5.977 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.717 3.354 5.401 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.297 2.545 6.860 1.00 0.00 N ATOM 0 H GLN A 39 -6.133 7.436 4.869 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.771 5.935 4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.715 5.422 3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.497 4.226 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.668 4.316 5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.942 5.457 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.404 2.618 7.348 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.923 1.764 7.057 1.00 0.00 H new ATOM 687 N LYS A 40 -5.199 7.060 1.733 1.00 0.00 N ATOM 688 CA LYS A 40 -4.993 7.325 0.307 1.00 0.00 C ATOM 689 C LYS A 40 -3.680 8.076 0.071 1.00 0.00 C ATOM 690 O LYS A 40 -2.923 7.701 -0.821 1.00 0.00 O ATOM 691 CB LYS A 40 -6.219 8.102 -0.199 1.00 0.00 C ATOM 692 CG LYS A 40 -6.159 8.407 -1.702 1.00 0.00 C ATOM 693 CD LYS A 40 -7.415 9.147 -2.190 1.00 0.00 C ATOM 694 CE LYS A 40 -8.664 8.252 -2.174 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.850 8.962 -2.723 1.00 0.00 N ATOM 0 H LYS A 40 -6.036 7.507 2.107 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.901 6.394 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.120 7.526 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.302 9.038 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.277 9.011 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.049 7.475 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.588 10.019 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.247 9.514 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.475 7.351 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.871 7.932 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.675 8.330 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.044 9.808 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.661 9.245 -3.706 1.00 0.00 H new ATOM 709 N ILE A 41 -3.369 9.074 0.905 1.00 0.00 N ATOM 710 CA ILE A 41 -2.107 9.828 0.826 1.00 0.00 C ATOM 711 C ILE A 41 -0.918 8.955 1.235 1.00 0.00 C ATOM 712 O ILE A 41 0.093 8.991 0.548 1.00 0.00 O ATOM 713 CB ILE A 41 -2.153 11.108 1.682 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.310 12.042 1.250 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.824 11.887 1.615 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.722 13.042 2.337 1.00 0.00 C ATOM 0 H ILE A 41 -3.985 9.385 1.657 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.976 10.127 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.322 10.783 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.011 12.590 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.174 11.436 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.896 12.783 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.014 11.257 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.621 12.172 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.537 13.665 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.052 12.500 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.870 13.672 2.593 1.00 0.00 H new ATOM 728 N ILE A 42 -1.011 8.141 2.293 1.00 0.00 N ATOM 729 CA ILE A 42 0.095 7.251 2.708 1.00 0.00 C ATOM 730 C ILE A 42 0.379 6.218 1.611 1.00 0.00 C ATOM 731 O ILE A 42 1.530 6.007 1.232 1.00 0.00 O ATOM 732 CB ILE A 42 -0.236 6.556 4.045 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.331 7.565 5.210 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.805 5.472 4.394 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.201 7.020 6.348 1.00 0.00 C ATOM 0 H ILE A 42 -1.841 8.076 2.883 1.00 0.00 H new ATOM 0 HA ILE A 42 0.991 7.853 2.857 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.209 6.084 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.668 7.785 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.749 8.504 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.539 5.004 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.821 4.717 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.791 5.928 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.248 7.753 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.207 6.825 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.768 6.094 6.726 1.00 0.00 H new ATOM 747 N LEU A 43 -0.681 5.612 1.069 1.00 0.00 N ATOM 748 CA LEU A 43 -0.631 4.628 -0.015 1.00 0.00 C ATOM 749 C LEU A 43 0.041 5.225 -1.262 1.00 0.00 C ATOM 750 O LEU A 43 0.982 4.646 -1.810 1.00 0.00 O ATOM 751 CB LEU A 43 -2.079 4.144 -0.251 1.00 0.00 C ATOM 752 CG LEU A 43 -2.347 3.055 -1.302 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.362 3.590 -2.732 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.375 1.882 -1.181 1.00 0.00 C ATOM 0 H LEU A 43 -1.632 5.800 1.385 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.015 3.767 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.462 3.780 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.675 5.015 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.351 2.690 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.556 2.771 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.145 4.342 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.396 4.039 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.605 1.139 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.354 2.240 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.472 1.430 -0.194 1.00 0.00 H new ATOM 766 N ALA A 44 -0.393 6.422 -1.659 1.00 0.00 N ATOM 767 CA ALA A 44 0.175 7.179 -2.766 1.00 0.00 C ATOM 768 C ALA A 44 1.631 7.596 -2.517 1.00 0.00 C ATOM 769 O ALA A 44 2.489 7.293 -3.340 1.00 0.00 O ATOM 770 CB ALA A 44 -0.701 8.409 -2.985 1.00 0.00 C ATOM 0 H ALA A 44 -1.170 6.901 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 44 0.193 6.544 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.301 8.998 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.717 8.094 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.712 9.014 -2.078 1.00 0.00 H new ATOM 776 N GLU A 45 1.935 8.244 -1.387 1.00 0.00 N ATOM 777 CA GLU A 45 3.295 8.696 -1.060 1.00 0.00 C ATOM 778 C GLU A 45 4.296 7.535 -0.975 1.00 0.00 C ATOM 779 O GLU A 45 5.453 7.705 -1.358 1.00 0.00 O ATOM 780 CB GLU A 45 3.294 9.476 0.266 1.00 0.00 C ATOM 781 CG GLU A 45 2.690 10.885 0.153 1.00 0.00 C ATOM 782 CD GLU A 45 3.633 11.857 -0.583 1.00 0.00 C ATOM 783 OE1 GLU A 45 3.484 12.041 -1.815 1.00 0.00 O ATOM 784 OE2 GLU A 45 4.524 12.454 0.069 1.00 0.00 O ATOM 0 H GLU A 45 1.245 8.471 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 45 3.615 9.347 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.735 8.909 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.318 9.557 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.739 10.831 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.478 11.270 1.150 1.00 0.00 H new ATOM 791 N TYR A 46 3.863 6.342 -0.547 1.00 0.00 N ATOM 792 CA TYR A 46 4.713 5.151 -0.488 1.00 0.00 C ATOM 793 C TYR A 46 5.131 4.713 -1.901 1.00 0.00 C ATOM 794 O TYR A 46 6.316 4.670 -2.224 1.00 0.00 O ATOM 795 CB TYR A 46 3.962 4.052 0.289 1.00 0.00 C ATOM 796 CG TYR A 46 4.673 2.732 0.546 1.00 0.00 C ATOM 797 CD1 TYR A 46 6.062 2.584 0.359 1.00 0.00 C ATOM 798 CD2 TYR A 46 3.918 1.639 1.019 1.00 0.00 C ATOM 799 CE1 TYR A 46 6.692 1.361 0.656 1.00 0.00 C ATOM 800 CE2 TYR A 46 4.539 0.404 1.287 1.00 0.00 C ATOM 801 CZ TYR A 46 5.929 0.264 1.109 1.00 0.00 C ATOM 802 OH TYR A 46 6.520 -0.933 1.352 1.00 0.00 O ATOM 0 H TYR A 46 2.907 6.178 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 46 5.640 5.366 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.673 4.467 1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.041 3.833 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.646 3.413 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.855 1.750 1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.761 1.262 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.950 -0.435 1.629 1.00 0.00 H new ATOM 0 HH TYR A 46 7.448 -0.789 1.633 1.00 0.00 H new ATOM 812 N ILE A 47 4.163 4.474 -2.782 1.00 0.00 N ATOM 813 CA ILE A 47 4.329 4.066 -4.175 1.00 0.00 C ATOM 814 C ILE A 47 5.030 5.147 -5.003 1.00 0.00 C ATOM 815 O ILE A 47 5.807 4.818 -5.891 1.00 0.00 O ATOM 816 CB ILE A 47 2.917 3.795 -4.720 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.401 2.479 -4.094 1.00 0.00 C ATOM 818 CG2 ILE A 47 2.858 3.765 -6.257 1.00 0.00 C ATOM 819 CD1 ILE A 47 0.922 2.194 -4.372 1.00 0.00 C ATOM 0 H ILE A 47 3.180 4.566 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 47 4.959 3.179 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 47 2.267 4.622 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.998 1.650 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.557 2.516 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.835 3.570 -6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.185 4.727 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.512 2.978 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.638 1.254 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.313 3.002 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.761 2.123 -5.448 1.00 0.00 H new ATOM 831 N ALA A 48 4.791 6.424 -4.716 1.00 0.00 N ATOM 832 CA ALA A 48 5.468 7.538 -5.374 1.00 0.00 C ATOM 833 C ALA A 48 6.954 7.600 -4.982 1.00 0.00 C ATOM 834 O ALA A 48 7.809 7.851 -5.832 1.00 0.00 O ATOM 835 CB ALA A 48 4.731 8.829 -5.006 1.00 0.00 C ATOM 0 H ALA A 48 4.114 6.718 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 48 5.444 7.400 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.219 9.677 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.697 8.767 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.752 8.964 -3.925 1.00 0.00 H new ATOM 841 N GLU A 49 7.274 7.322 -3.716 1.00 0.00 N ATOM 842 CA GLU A 49 8.651 7.333 -3.207 1.00 0.00 C ATOM 843 C GLU A 49 9.439 6.076 -3.611 1.00 0.00 C ATOM 844 O GLU A 49 10.620 6.192 -3.952 1.00 0.00 O ATOM 845 CB GLU A 49 8.628 7.531 -1.683 1.00 0.00 C ATOM 846 CG GLU A 49 10.030 7.698 -1.082 1.00 0.00 C ATOM 847 CD GLU A 49 9.953 8.073 0.411 1.00 0.00 C ATOM 848 OE1 GLU A 49 9.878 7.162 1.270 1.00 0.00 O ATOM 849 OE2 GLU A 49 9.986 9.285 0.739 1.00 0.00 O ATOM 0 H GLU A 49 6.580 7.081 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 49 9.180 8.169 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.029 8.410 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.138 6.676 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.592 6.771 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.573 8.471 -1.627 1.00 0.00 H new ATOM 856 N VAL A 50 8.808 4.890 -3.615 1.00 0.00 N ATOM 857 CA VAL A 50 9.501 3.604 -3.866 1.00 0.00 C ATOM 858 C VAL A 50 9.176 2.968 -5.222 1.00 0.00 C ATOM 859 O VAL A 50 9.791 1.972 -5.603 1.00 0.00 O ATOM 860 CB VAL A 50 9.371 2.613 -2.693 1.00 0.00 C ATOM 861 CG1 VAL A 50 9.528 3.287 -1.325 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.087 1.773 -2.716 1.00 0.00 C ATOM 0 H VAL A 50 7.807 4.790 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 50 10.557 3.867 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 50 10.204 1.927 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.427 2.540 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.511 3.753 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.757 4.048 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.075 1.103 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.220 2.432 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.052 1.186 -3.634 1.00 0.00 H new ATOM 872 N GLY A 51 8.234 3.545 -5.969 1.00 0.00 N ATOM 873 CA GLY A 51 8.053 3.321 -7.414 1.00 0.00 C ATOM 874 C GLY A 51 7.176 2.122 -7.786 1.00 0.00 C ATOM 875 O GLY A 51 7.389 1.519 -8.838 1.00 0.00 O ATOM 0 H GLY A 51 7.555 4.199 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.617 4.219 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.034 3.188 -7.870 1.00 0.00 H new ATOM 879 N LEU A 52 6.255 1.726 -6.897 1.00 0.00 N ATOM 880 CA LEU A 52 5.394 0.523 -6.963 1.00 0.00 C ATOM 881 C LEU A 52 6.147 -0.824 -7.146 1.00 0.00 C ATOM 882 O LEU A 52 5.548 -1.861 -7.422 1.00 0.00 O ATOM 883 CB LEU A 52 4.267 0.724 -8.009 1.00 0.00 C ATOM 884 CG LEU A 52 2.848 0.378 -7.509 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.813 0.755 -8.567 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.638 -1.089 -7.156 1.00 0.00 C ATOM 0 H LEU A 52 6.075 2.270 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 52 4.946 0.424 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.277 1.763 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.488 0.111 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 52 2.727 0.953 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.815 0.507 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.871 1.825 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.013 0.203 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.614 -1.238 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.820 -1.705 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.330 -1.375 -6.364 1.00 0.00 H new ATOM 898 N GLN A 53 7.472 -0.817 -6.998 1.00 0.00 N ATOM 899 CA GLN A 53 8.371 -1.945 -7.316 1.00 0.00 C ATOM 900 C GLN A 53 9.201 -2.427 -6.114 1.00 0.00 C ATOM 901 O GLN A 53 9.941 -3.406 -6.219 1.00 0.00 O ATOM 902 CB GLN A 53 9.230 -1.577 -8.538 1.00 0.00 C ATOM 903 CG GLN A 53 10.284 -0.495 -8.249 1.00 0.00 C ATOM 904 CD GLN A 53 10.766 0.189 -9.523 1.00 0.00 C ATOM 905 OE1 GLN A 53 11.863 -0.037 -10.018 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.957 1.052 -10.099 1.00 0.00 N ATOM 0 H GLN A 53 7.973 -0.003 -6.642 1.00 0.00 H new ATOM 0 HA GLN A 53 7.758 -2.809 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.733 -2.474 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.577 -1.231 -9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.862 0.251 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.134 -0.945 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.042 1.244 -9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.245 1.529 -10.953 1.00 0.00 H new ATOM 915 N ASN A 54 9.053 -1.756 -4.966 1.00 0.00 N ATOM 916 CA ASN A 54 9.671 -2.128 -3.686 1.00 0.00 C ATOM 917 C ASN A 54 8.650 -2.274 -2.537 1.00 0.00 C ATOM 918 O ASN A 54 9.044 -2.535 -1.398 1.00 0.00 O ATOM 919 CB ASN A 54 10.773 -1.115 -3.332 1.00 0.00 C ATOM 920 CG ASN A 54 11.877 -1.001 -4.369 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.793 -1.810 -4.427 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.842 0.008 -5.210 1.00 0.00 N ATOM 0 H ASN A 54 8.483 -0.913 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 54 10.113 -3.117 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.318 -0.134 -3.195 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.216 -1.397 -2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.577 0.115 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.080 0.684 -5.164 1.00 0.00 H new ATOM 929 N ILE A 55 7.348 -2.112 -2.815 1.00 0.00 N ATOM 930 CA ILE A 55 6.289 -2.331 -1.815 1.00 0.00 C ATOM 931 C ILE A 55 6.055 -3.825 -1.564 1.00 0.00 C ATOM 932 O ILE A 55 6.251 -4.655 -2.458 1.00 0.00 O ATOM 933 CB ILE A 55 4.969 -1.588 -2.131 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.172 -2.200 -3.301 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.217 -0.088 -2.356 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.826 -1.500 -3.503 1.00 0.00 C ATOM 0 H ILE A 55 7.000 -1.828 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 55 6.658 -1.887 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 55 4.342 -1.713 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.759 -2.129 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.005 -3.260 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.272 0.408 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.655 0.347 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.901 0.046 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.297 -1.962 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.228 -1.594 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.993 -0.445 -3.720 1.00 0.00 H new ATOM 948 N THR A 56 5.594 -4.166 -0.362 1.00 0.00 N ATOM 949 CA THR A 56 5.281 -5.544 0.046 1.00 0.00 C ATOM 950 C THR A 56 3.995 -5.560 0.852 1.00 0.00 C ATOM 951 O THR A 56 3.766 -4.645 1.630 1.00 0.00 O ATOM 952 CB THR A 56 6.424 -6.157 0.884 1.00 0.00 C ATOM 953 OG1 THR A 56 7.142 -5.195 1.626 1.00 0.00 O ATOM 954 CG2 THR A 56 7.430 -6.893 0.000 1.00 0.00 C ATOM 0 H THR A 56 5.422 -3.481 0.374 1.00 0.00 H new ATOM 0 HA THR A 56 5.161 -6.144 -0.856 1.00 0.00 H new ATOM 0 HB THR A 56 5.932 -6.846 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.943 -5.609 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.221 -7.313 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.924 -7.697 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.863 -6.196 -0.717 1.00 0.00 H new ATOM 962 N ALA A 57 3.165 -6.601 0.737 1.00 0.00 N ATOM 963 CA ALA A 57 1.893 -6.708 1.458 1.00 0.00 C ATOM 964 C ALA A 57 2.082 -6.697 2.982 1.00 0.00 C ATOM 965 O ALA A 57 1.202 -6.245 3.703 1.00 0.00 O ATOM 966 CB ALA A 57 1.192 -7.996 1.014 1.00 0.00 C ATOM 0 H ALA A 57 3.359 -7.401 0.135 1.00 0.00 H new ATOM 0 HA ALA A 57 1.283 -5.838 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.242 -8.093 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.010 -7.959 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.825 -8.853 1.245 1.00 0.00 H new ATOM 972 N ILE A 58 3.253 -7.138 3.453 1.00 0.00 N ATOM 973 CA ILE A 58 3.676 -7.135 4.859 1.00 0.00 C ATOM 974 C ILE A 58 3.938 -5.705 5.344 1.00 0.00 C ATOM 975 O ILE A 58 3.620 -5.339 6.473 1.00 0.00 O ATOM 976 CB ILE A 58 4.975 -7.967 4.986 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.759 -9.496 4.873 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.641 -7.705 6.352 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.236 -10.020 3.529 1.00 0.00 C ATOM 0 H ILE A 58 3.966 -7.525 2.835 1.00 0.00 H new ATOM 0 HA ILE A 58 2.884 -7.566 5.472 1.00 0.00 H new ATOM 0 HB ILE A 58 5.599 -7.647 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.707 -9.990 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.060 -9.799 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.554 -8.295 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.885 -6.646 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.956 -7.988 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.127 -11.103 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.268 -9.568 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.941 -9.762 2.739 1.00 0.00 H new ATOM 991 N THR A 59 4.573 -4.898 4.498 1.00 0.00 N ATOM 992 CA THR A 59 4.923 -3.515 4.824 1.00 0.00 C ATOM 993 C THR A 59 3.711 -2.623 4.620 1.00 0.00 C ATOM 994 O THR A 59 3.359 -1.847 5.496 1.00 0.00 O ATOM 995 CB THR A 59 6.110 -3.061 3.974 1.00 0.00 C ATOM 996 OG1 THR A 59 7.204 -3.930 4.170 1.00 0.00 O ATOM 997 CG2 THR A 59 6.581 -1.667 4.365 1.00 0.00 C ATOM 0 H THR A 59 4.861 -5.185 3.563 1.00 0.00 H new ATOM 0 HA THR A 59 5.222 -3.445 5.870 1.00 0.00 H new ATOM 0 HB THR A 59 5.774 -3.064 2.937 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.340 -4.471 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.426 -1.379 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.767 -0.956 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.888 -1.667 5.411 1.00 0.00 H new ATOM 1005 N LEU A 60 2.994 -2.800 3.513 1.00 0.00 N ATOM 1006 CA LEU A 60 1.762 -2.102 3.177 1.00 0.00 C ATOM 1007 C LEU A 60 0.654 -2.373 4.212 1.00 0.00 C ATOM 1008 O LEU A 60 -0.030 -1.434 4.613 1.00 0.00 O ATOM 1009 CB LEU A 60 1.384 -2.516 1.739 1.00 0.00 C ATOM 1010 CG LEU A 60 0.396 -1.583 1.024 1.00 0.00 C ATOM 1011 CD1 LEU A 60 1.067 -0.250 0.713 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.044 -2.200 -0.300 1.00 0.00 C ATOM 0 H LEU A 60 3.272 -3.467 2.793 1.00 0.00 H new ATOM 0 HA LEU A 60 1.900 -1.021 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.296 -2.576 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.956 -3.518 1.768 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.463 -1.434 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.358 0.405 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.393 0.218 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.930 -0.419 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.744 -1.530 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.827 -2.354 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.529 -3.158 -0.112 1.00 0.00 H new ATOM 1024 N SER A 61 0.553 -3.598 4.755 1.00 0.00 N ATOM 1025 CA SER A 61 -0.353 -3.908 5.879 1.00 0.00 C ATOM 1026 C SER A 61 -0.039 -3.116 7.153 1.00 0.00 C ATOM 1027 O SER A 61 -0.915 -2.846 7.972 1.00 0.00 O ATOM 1028 CB SER A 61 -0.431 -5.408 6.182 1.00 0.00 C ATOM 1029 OG SER A 61 0.755 -5.890 6.776 1.00 0.00 O ATOM 0 H SER A 61 1.094 -4.400 4.430 1.00 0.00 H new ATOM 0 HA SER A 61 -1.336 -3.585 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.273 -5.600 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.622 -5.955 5.259 1.00 0.00 H new ATOM 0 HG SER A 61 1.525 -5.412 6.404 1.00 0.00 H new ATOM 1035 N LYS A 62 1.207 -2.665 7.288 1.00 0.00 N ATOM 1036 CA LYS A 62 1.741 -1.976 8.470 1.00 0.00 C ATOM 1037 C LYS A 62 1.897 -0.459 8.298 1.00 0.00 C ATOM 1038 O LYS A 62 1.775 0.269 9.284 1.00 0.00 O ATOM 1039 CB LYS A 62 3.054 -2.638 8.911 1.00 0.00 C ATOM 1040 CG LYS A 62 2.812 -4.062 9.437 1.00 0.00 C ATOM 1041 CD LYS A 62 4.136 -4.721 9.833 1.00 0.00 C ATOM 1042 CE LYS A 62 3.902 -6.190 10.203 1.00 0.00 C ATOM 1043 NZ LYS A 62 5.165 -6.860 10.611 1.00 0.00 N ATOM 0 H LYS A 62 1.903 -2.772 6.550 1.00 0.00 H new ATOM 0 HA LYS A 62 0.997 -2.086 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.747 -2.671 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.524 -2.036 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.144 -4.029 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.317 -4.659 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.846 -4.654 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.577 -4.191 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.179 -6.250 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.469 -6.716 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.969 -7.852 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.846 -6.824 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.565 -6.373 11.439 1.00 0.00 H new ATOM 1057 N LYS A 63 2.080 0.041 7.068 1.00 0.00 N ATOM 1058 CA LYS A 63 2.106 1.477 6.725 1.00 0.00 C ATOM 1059 C LYS A 63 0.750 2.139 6.981 1.00 0.00 C ATOM 1060 O LYS A 63 0.676 3.303 7.369 1.00 0.00 O ATOM 1061 CB LYS A 63 2.461 1.604 5.231 1.00 0.00 C ATOM 1062 CG LYS A 63 3.923 1.282 4.878 1.00 0.00 C ATOM 1063 CD LYS A 63 4.881 2.453 5.106 1.00 0.00 C ATOM 1064 CE LYS A 63 6.261 2.116 4.529 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.236 3.212 4.766 1.00 0.00 N ATOM 0 H LYS A 63 2.219 -0.559 6.255 1.00 0.00 H new ATOM 0 HA LYS A 63 2.844 1.979 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.811 0.940 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.241 2.621 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.253 0.432 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.977 0.978 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.489 3.353 4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.964 2.664 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.630 1.196 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.173 1.932 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.158 2.950 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.895 4.084 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.338 3.371 5.789 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.311 1.371 6.741 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.701 1.821 6.638 1.00 0.00 C ATOM 1081 C LEU A 64 -2.606 1.230 7.737 1.00 0.00 C ATOM 1082 O LEU A 64 -3.783 1.581 7.808 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.155 1.436 5.219 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.486 2.274 4.118 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.266 1.464 2.844 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.348 3.476 3.777 1.00 0.00 C ATOM 0 H LEU A 64 -0.221 0.364 6.606 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.777 2.897 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.935 0.382 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.236 1.552 5.147 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.519 2.594 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.791 2.093 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.624 0.611 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.226 1.109 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.863 4.062 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.322 3.137 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.479 4.094 4.665 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.059 0.370 8.606 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.754 -0.359 9.679 1.00 0.00 C ATOM 1100 C ASN A 65 -3.943 -1.210 9.170 1.00 0.00 C ATOM 1101 O ASN A 65 -5.103 -0.982 9.524 1.00 0.00 O ATOM 1102 CB ASN A 65 -3.127 0.600 10.831 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.964 1.449 11.316 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -1.126 1.015 12.094 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.872 2.681 10.865 1.00 0.00 N ATOM 0 H ASN A 65 -1.063 0.151 8.579 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.058 -1.093 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.932 1.256 10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.514 0.017 11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.100 3.277 11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.572 3.040 10.216 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.643 -2.184 8.307 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.593 -3.037 7.571 1.00 0.00 C ATOM 1114 C ILE A 66 -4.180 -4.522 7.630 1.00 0.00 C ATOM 1115 O ILE A 66 -3.141 -4.865 8.194 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.742 -2.532 6.108 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.510 -1.771 5.559 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.971 -1.609 6.043 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.457 -1.719 4.026 1.00 0.00 C ATOM 0 H ILE A 66 -2.674 -2.416 8.087 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.568 -2.966 8.053 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.849 -3.417 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.518 -0.753 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.603 -2.248 5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.096 -1.241 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.860 -2.165 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.829 -0.765 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.569 -1.171 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.418 -2.733 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.347 -1.215 3.648 1.00 0.00 H new ATOM 1131 N THR A 67 -4.990 -5.424 7.069 1.00 0.00 N ATOM 1132 CA THR A 67 -4.626 -6.851 6.931 1.00 0.00 C ATOM 1133 C THR A 67 -3.674 -7.069 5.751 1.00 0.00 C ATOM 1134 O THR A 67 -3.636 -6.263 4.816 1.00 0.00 O ATOM 1135 CB THR A 67 -5.849 -7.788 6.839 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.292 -7.931 5.510 1.00 0.00 O ATOM 1137 CG2 THR A 67 -7.053 -7.329 7.665 1.00 0.00 C ATOM 0 H THR A 67 -5.912 -5.196 6.698 1.00 0.00 H new ATOM 0 HA THR A 67 -4.106 -7.120 7.850 1.00 0.00 H new ATOM 0 HB THR A 67 -5.487 -8.733 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.066 -8.531 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.869 -8.042 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.772 -7.272 8.717 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.376 -6.346 7.322 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.925 -8.179 5.749 1.00 0.00 N ATOM 1146 CA VAL A 68 -2.083 -8.583 4.601 1.00 0.00 C ATOM 1147 C VAL A 68 -2.933 -8.888 3.364 1.00 0.00 C ATOM 1148 O VAL A 68 -2.483 -8.665 2.246 1.00 0.00 O ATOM 1149 CB VAL A 68 -1.187 -9.790 4.967 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.364 -10.334 3.788 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.183 -9.397 6.061 1.00 0.00 C ATOM 0 H VAL A 68 -2.881 -8.825 6.537 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.434 -7.742 4.357 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.879 -10.564 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.238 -11.178 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.037 -10.660 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.291 -9.549 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.441 -10.256 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.447 -8.583 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.723 -9.072 6.951 1.00 0.00 H new ATOM 1161 N GLU A 69 -4.182 -9.330 3.525 1.00 0.00 N ATOM 1162 CA GLU A 69 -5.063 -9.699 2.409 1.00 0.00 C ATOM 1163 C GLU A 69 -5.648 -8.433 1.771 1.00 0.00 C ATOM 1164 O GLU A 69 -5.703 -8.307 0.546 1.00 0.00 O ATOM 1165 CB GLU A 69 -6.173 -10.633 2.926 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.626 -11.986 3.412 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.682 -12.765 4.217 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -6.806 -12.531 5.444 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -7.384 -13.632 3.640 1.00 0.00 O ATOM 0 H GLU A 69 -4.617 -9.444 4.441 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.497 -10.229 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.703 -10.144 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.900 -10.803 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.309 -12.580 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.744 -11.822 4.030 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.990 -7.449 2.611 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.472 -6.123 2.223 1.00 0.00 C ATOM 1178 C LYS A 70 -5.370 -5.336 1.514 1.00 0.00 C ATOM 1179 O LYS A 70 -5.578 -4.815 0.422 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.996 -5.435 3.495 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.896 -4.214 3.286 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.201 -2.947 2.770 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.035 -1.695 3.090 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.237 -1.567 2.224 1.00 0.00 N ATOM 0 H LYS A 70 -5.935 -7.563 3.623 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.287 -6.187 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.549 -6.171 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.139 -5.129 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.684 -4.484 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.381 -3.978 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.214 -2.858 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.050 -3.023 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.347 -1.729 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.412 -0.809 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.972 -1.031 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.982 -1.067 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.598 -2.514 1.989 1.00 0.00 H new ATOM 1198 N ALA A 71 -4.175 -5.334 2.094 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.956 -4.778 1.506 1.00 0.00 C ATOM 1200 C ALA A 71 -2.595 -5.422 0.153 1.00 0.00 C ATOM 1201 O ALA A 71 -2.347 -4.721 -0.828 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.819 -4.961 2.516 1.00 0.00 C ATOM 0 H ALA A 71 -4.020 -5.733 3.020 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.121 -3.721 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.896 -4.554 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.065 -4.437 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.686 -6.022 2.726 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.610 -6.757 0.060 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.226 -7.501 -1.141 1.00 0.00 C ATOM 1210 C LYS A 72 -3.241 -7.314 -2.261 1.00 0.00 C ATOM 1211 O LYS A 72 -2.859 -7.351 -3.426 1.00 0.00 O ATOM 1212 CB LYS A 72 -2.028 -8.975 -0.749 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.567 -9.878 -1.896 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.130 -11.262 -1.382 1.00 0.00 C ATOM 1215 CE LYS A 72 0.267 -11.227 -0.744 1.00 0.00 C ATOM 1216 NZ LYS A 72 0.744 -12.595 -0.403 1.00 0.00 N ATOM 0 H LYS A 72 -2.895 -7.359 0.832 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.287 -7.117 -1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.296 -9.029 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.967 -9.362 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.376 -9.995 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.738 -9.405 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.853 -11.621 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.133 -11.973 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.970 -10.756 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.242 -10.614 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.690 -12.536 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.085 -13.034 0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.791 -13.172 -1.267 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.496 -7.005 -1.927 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.513 -6.677 -2.921 1.00 0.00 C ATOM 1232 C ASN A 73 -5.060 -5.518 -3.836 1.00 0.00 C ATOM 1233 O ASN A 73 -5.213 -5.611 -5.054 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.882 -6.447 -2.235 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.501 -5.091 -2.539 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -8.161 -4.902 -3.546 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.254 -4.098 -1.719 1.00 0.00 N ATOM 0 H ASN A 73 -4.832 -6.976 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.647 -7.526 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.572 -7.230 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.759 -6.546 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.614 -3.166 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.702 -4.258 -0.877 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.425 -4.480 -3.268 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.862 -3.347 -4.001 1.00 0.00 C ATOM 1246 C TYR A 74 -2.716 -3.791 -4.895 1.00 0.00 C ATOM 1247 O TYR A 74 -2.701 -3.448 -6.067 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.360 -2.262 -3.042 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.418 -1.692 -2.125 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -5.539 -1.025 -2.660 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -4.266 -1.823 -0.734 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -6.528 -0.507 -1.802 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -5.244 -1.293 0.128 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.381 -0.646 -0.405 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.332 -0.167 0.439 1.00 0.00 O ATOM 0 H TYR A 74 -4.288 -4.409 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.660 -2.935 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.556 -2.677 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.930 -1.449 -3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.639 -0.911 -3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.402 -2.328 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.394 -0.006 -2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.125 -1.381 1.198 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.150 0.026 -0.065 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.803 -4.613 -4.379 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.627 -5.104 -5.112 1.00 0.00 C ATOM 1267 C ILE A 75 -1.038 -6.007 -6.294 1.00 0.00 C ATOM 1268 O ILE A 75 -0.315 -6.093 -7.288 1.00 0.00 O ATOM 1269 CB ILE A 75 0.343 -5.786 -4.114 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.728 -4.787 -2.990 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.608 -6.310 -4.820 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.624 -5.361 -1.893 1.00 0.00 C ATOM 0 H ILE A 75 -1.857 -4.965 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.095 -4.269 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.169 -6.644 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.234 -3.933 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.186 -4.410 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.264 -6.782 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.325 -7.040 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.131 -5.479 -5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.837 -4.587 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.117 -6.195 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.558 -5.711 -2.332 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.221 -6.639 -6.233 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.767 -7.526 -7.270 1.00 0.00 C ATOM 1286 C LYS A 76 -3.571 -6.809 -8.364 1.00 0.00 C ATOM 1287 O LYS A 76 -3.620 -7.339 -9.473 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.593 -8.637 -6.597 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.766 -9.633 -5.763 1.00 0.00 C ATOM 1290 CD LYS A 76 -1.924 -10.594 -6.616 1.00 0.00 C ATOM 1291 CE LYS A 76 -1.207 -11.599 -5.705 1.00 0.00 C ATOM 1292 NZ LYS A 76 -0.407 -12.580 -6.485 1.00 0.00 N ATOM 0 H LYS A 76 -2.845 -6.542 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.918 -7.956 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.341 -8.176 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.133 -9.188 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.106 -9.077 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.439 -10.214 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.563 -11.122 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.195 -10.033 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.554 -11.063 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.942 -12.129 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.062 -13.242 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.034 -13.109 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.311 -12.076 -7.043 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.157 -5.625 -8.114 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.732 -4.795 -9.182 1.00 0.00 C ATOM 1308 C ASN A 77 -3.750 -3.731 -9.676 1.00 0.00 C ATOM 1309 O ASN A 77 -3.623 -3.512 -10.882 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.065 -4.153 -8.774 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.024 -3.093 -7.691 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -5.818 -1.915 -7.940 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.253 -3.449 -6.458 1.00 0.00 N ATOM 0 H ASN A 77 -4.244 -5.223 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.936 -5.474 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.512 -3.709 -9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.735 -4.947 -8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.258 -2.748 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.427 -4.429 -6.234 1.00 0.00 H new ATOM 1597 N GLU A 95 20.979 23.757 -4.403 1.00 0.00 N ATOM 1598 CA GLU A 95 21.998 23.311 -5.366 1.00 0.00 C ATOM 1599 C GLU A 95 22.668 24.503 -6.081 1.00 0.00 C ATOM 1600 O GLU A 95 22.112 25.604 -6.138 1.00 0.00 O ATOM 1601 CB GLU A 95 21.394 22.304 -6.365 1.00 0.00 C ATOM 1602 CG GLU A 95 20.207 22.845 -7.180 1.00 0.00 C ATOM 1603 CD GLU A 95 19.745 21.830 -8.245 1.00 0.00 C ATOM 1604 OE1 GLU A 95 19.327 20.703 -7.885 1.00 0.00 O ATOM 1605 OE2 GLU A 95 19.785 22.157 -9.458 1.00 0.00 O ATOM 0 HA GLU A 95 22.785 22.799 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.175 21.983 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.069 21.419 -5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.378 23.074 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.492 23.779 -7.665 1.00 0.00 H new ATOM 1612 N GLU A 96 23.867 24.292 -6.631 1.00 0.00 N ATOM 1613 CA GLU A 96 24.661 25.312 -7.332 1.00 0.00 C ATOM 1614 C GLU A 96 25.239 24.740 -8.633 1.00 0.00 C ATOM 1615 O GLU A 96 26.062 23.821 -8.616 1.00 0.00 O ATOM 1616 CB GLU A 96 25.754 25.845 -6.384 1.00 0.00 C ATOM 1617 CG GLU A 96 26.550 27.032 -6.945 1.00 0.00 C ATOM 1618 CD GLU A 96 25.696 28.312 -7.033 1.00 0.00 C ATOM 1619 OE1 GLU A 96 25.039 28.532 -8.080 1.00 0.00 O ATOM 1620 OE2 GLU A 96 25.682 29.108 -6.064 1.00 0.00 O ATOM 0 H GLU A 96 24.327 23.382 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 96 24.026 26.151 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 96 25.290 26.145 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.446 25.035 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 96 27.417 27.218 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 96 26.927 26.779 -7.936 1.00 0.00 H new ATOM 1627 N VAL A 97 24.769 25.275 -9.764 1.00 0.00 N ATOM 1628 CA VAL A 97 25.082 24.813 -11.125 1.00 0.00 C ATOM 1629 C VAL A 97 25.208 26.019 -12.073 1.00 0.00 C ATOM 1630 O VAL A 97 24.566 27.048 -11.855 1.00 0.00 O ATOM 1631 CB VAL A 97 24.013 23.815 -11.646 1.00 0.00 C ATOM 1632 CG1 VAL A 97 24.486 23.083 -12.909 1.00 0.00 C ATOM 1633 CG2 VAL A 97 23.643 22.717 -10.633 1.00 0.00 C ATOM 0 H VAL A 97 24.135 26.074 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 97 26.035 24.284 -11.094 1.00 0.00 H new ATOM 0 HB VAL A 97 23.144 24.444 -11.842 1.00 0.00 H new ATOM 0 HG11 VAL A 97 23.710 22.394 -13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 97 24.689 23.809 -13.696 1.00 0.00 H new ATOM 0 HG13 VAL A 97 25.396 22.525 -12.687 1.00 0.00 H new ATOM 0 HG21 VAL A 97 22.891 22.059 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 97 24.532 22.138 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 97 23.243 23.176 -9.729 1.00 0.00 H new ATOM 1643 N SER A 98 26.016 25.902 -13.135 1.00 0.00 N ATOM 1644 CA SER A 98 26.188 26.947 -14.163 1.00 0.00 C ATOM 1645 C SER A 98 26.231 26.369 -15.586 1.00 0.00 C ATOM 1646 O SER A 98 25.307 26.596 -16.370 1.00 0.00 O ATOM 1647 CB SER A 98 27.432 27.791 -13.848 1.00 0.00 C ATOM 1648 OG SER A 98 27.588 28.827 -14.803 1.00 0.00 O ATOM 0 H SER A 98 26.578 25.069 -13.310 1.00 0.00 H new ATOM 0 HA SER A 98 25.313 27.596 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 98 27.344 28.220 -12.850 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.318 27.156 -13.845 1.00 0.00 H new ATOM 0 HG SER A 98 28.384 29.355 -14.585 1.00 0.00 H new ATOM 1654 N SER A 99 27.242 25.552 -15.914 1.00 0.00 N ATOM 1655 CA SER A 99 27.412 24.972 -17.263 1.00 0.00 C ATOM 1656 C SER A 99 26.289 23.987 -17.641 1.00 0.00 C ATOM 1657 O SER A 99 25.881 23.912 -18.803 1.00 0.00 O ATOM 1658 CB SER A 99 28.782 24.285 -17.342 1.00 0.00 C ATOM 1659 OG SER A 99 29.090 23.908 -18.675 1.00 0.00 O ATOM 0 H SER A 99 27.968 25.272 -15.254 1.00 0.00 H new ATOM 0 HA SER A 99 27.355 25.786 -17.985 1.00 0.00 H new ATOM 0 HB2 SER A 99 29.552 24.958 -16.964 1.00 0.00 H new ATOM 0 HB3 SER A 99 28.787 23.403 -16.701 1.00 0.00 H new ATOM 0 HG SER A 99 29.968 23.474 -18.698 1.00 0.00 H new ATOM 1665 N MET A 100 25.742 23.281 -16.643 1.00 0.00 N ATOM 1666 CA MET A 100 24.648 22.305 -16.775 1.00 0.00 C ATOM 1667 C MET A 100 23.305 22.820 -16.212 1.00 0.00 C ATOM 1668 O MET A 100 22.407 22.029 -15.925 1.00 0.00 O ATOM 1669 CB MET A 100 25.076 20.964 -16.143 1.00 0.00 C ATOM 1670 CG MET A 100 26.305 20.335 -16.817 1.00 0.00 C ATOM 1671 SD MET A 100 26.110 19.868 -18.563 1.00 0.00 S ATOM 1672 CE MET A 100 24.982 18.453 -18.410 1.00 0.00 C ATOM 0 H MET A 100 26.062 23.377 -15.679 1.00 0.00 H new ATOM 0 HA MET A 100 24.462 22.148 -17.838 1.00 0.00 H new ATOM 0 HB2 MET A 100 25.292 21.122 -15.086 1.00 0.00 H new ATOM 0 HB3 MET A 100 24.243 20.263 -16.197 1.00 0.00 H new ATOM 0 HG2 MET A 100 27.135 21.037 -16.741 1.00 0.00 H new ATOM 0 HG3 MET A 100 26.587 19.446 -16.254 1.00 0.00 H new ATOM 0 HE1 MET A 100 24.821 18.008 -19.392 1.00 0.00 H new ATOM 0 HE2 MET A 100 25.419 17.710 -17.743 1.00 0.00 H new ATOM 0 HE3 MET A 100 24.028 18.790 -18.003 1.00 0.00 H new ATOM 1682 N GLU A 101 23.144 24.138 -16.027 1.00 0.00 N ATOM 1683 CA GLU A 101 21.950 24.764 -15.423 1.00 0.00 C ATOM 1684 C GLU A 101 20.776 24.892 -16.431 1.00 0.00 C ATOM 1685 O GLU A 101 20.235 25.977 -16.663 1.00 0.00 O ATOM 1686 CB GLU A 101 22.338 26.095 -14.746 1.00 0.00 C ATOM 1687 CG GLU A 101 21.288 26.542 -13.710 1.00 0.00 C ATOM 1688 CD GLU A 101 21.553 27.944 -13.117 1.00 0.00 C ATOM 1689 OE1 GLU A 101 21.979 28.870 -13.852 1.00 0.00 O ATOM 1690 OE2 GLU A 101 21.260 28.153 -11.913 1.00 0.00 O ATOM 0 H GLU A 101 23.855 24.818 -16.298 1.00 0.00 H new ATOM 0 HA GLU A 101 21.567 24.107 -14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 101 23.306 25.985 -14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 101 22.451 26.869 -15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.304 26.536 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 101 21.259 25.814 -12.899 1.00 0.00 H new ATOM 1697 N ALA A 102 20.407 23.768 -17.059 1.00 0.00 N ATOM 1698 CA ALA A 102 19.464 23.650 -18.182 1.00 0.00 C ATOM 1699 C ALA A 102 19.826 24.505 -19.426 1.00 0.00 C ATOM 1700 O ALA A 102 20.862 25.179 -19.477 1.00 0.00 O ATOM 1701 CB ALA A 102 18.031 23.868 -17.660 1.00 0.00 C ATOM 0 H ALA A 102 20.781 22.861 -16.781 1.00 0.00 H new ATOM 0 HA ALA A 102 19.537 22.637 -18.577 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.326 23.782 -18.487 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.800 23.115 -16.906 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.952 24.861 -17.217 1.00 0.00 H new ATOM 1707 N LYS A 103 18.984 24.435 -20.468 1.00 0.00 N ATOM 1708 CA LYS A 103 19.103 25.199 -21.727 1.00 0.00 C ATOM 1709 C LYS A 103 17.734 25.504 -22.348 1.00 0.00 C ATOM 1710 O LYS A 103 16.742 24.844 -22.026 1.00 0.00 O ATOM 1711 CB LYS A 103 20.065 24.477 -22.700 1.00 0.00 C ATOM 1712 CG LYS A 103 19.704 23.038 -23.124 1.00 0.00 C ATOM 1713 CD LYS A 103 18.685 22.948 -24.271 1.00 0.00 C ATOM 1714 CE LYS A 103 18.515 21.485 -24.700 1.00 0.00 C ATOM 1715 NZ LYS A 103 17.556 21.352 -25.828 1.00 0.00 N ATOM 0 H LYS A 103 18.169 23.822 -20.460 1.00 0.00 H new ATOM 0 HA LYS A 103 19.539 26.172 -21.502 1.00 0.00 H new ATOM 0 HB2 LYS A 103 20.147 25.083 -23.603 1.00 0.00 H new ATOM 0 HB3 LYS A 103 21.053 24.454 -22.240 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.616 22.522 -23.424 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.306 22.507 -22.259 1.00 0.00 H new ATOM 0 HD2 LYS A 103 17.726 23.357 -23.951 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.021 23.548 -25.117 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.482 21.077 -24.994 1.00 0.00 H new ATOM 0 HE3 LYS A 103 18.165 20.895 -23.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 17.466 20.350 -26.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 16.627 21.719 -25.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 17.903 21.894 -26.645 1.00 0.00 H new