USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 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 9 ASN : amide:sc= -0.607 K(o=-1.6,f=-0.14) USER MOD Set 1.2: A 71 ASN : amide:sc= -1.04 K(o=-1.6,f=-0.14) USER MOD Set 2.1: A 12 SER OG : rot -118:sc= 0.309 USER MOD Set 2.2: A 14 THR OG1 : rot -140:sc= 0.657 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= 0.277 USER MOD Set 3.1: A 27 THR OG1 : rot -140:sc= 0 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0.152 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0999) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00785 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 32 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.81) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.363 USER MOD Single : A 36 THR OG1 : rot 136:sc= 0.74 USER MOD Single : A 41 ASN : amide:sc= -0.255 K(o=-0.26,f=-0.83) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -5.89! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 46:sc= 0.0094 USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -0.213 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -5.328 -12.682 17.277 1.00 4.54 N ATOM 164 CA GLY A 8 -5.749 -13.354 18.492 1.00 1.12 C ATOM 165 C GLY A 8 -7.241 -13.235 18.733 1.00 12.44 C ATOM 166 O GLY A 8 -7.769 -12.131 18.864 1.00 42.34 O ATOM 0 HA2 GLY A 8 -5.476 -14.408 18.434 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.212 -12.932 19.342 1.00 1.12 H new ATOM 170 N ASN A 9 -7.922 -14.375 18.791 1.00 51.20 N ATOM 171 CA ASN A 9 -9.364 -14.392 19.016 1.00 63.11 C ATOM 172 C ASN A 9 -9.771 -15.614 19.833 1.00 4.24 C ATOM 173 O ASN A 9 -9.397 -16.742 19.512 1.00 20.25 O ATOM 174 CB ASN A 9 -10.110 -14.387 17.680 1.00 62.31 C ATOM 175 CG ASN A 9 -11.566 -14.779 17.829 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.090 -15.576 17.049 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.229 -14.221 18.836 1.00 54.03 N ATOM 0 H ASN A 9 -7.500 -15.298 18.686 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.630 -13.496 19.576 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.048 -13.393 17.236 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.620 -15.075 16.991 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.212 -14.448 18.987 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.755 -13.566 19.458 1.00 54.03 H new ATOM 184 N VAL A 10 -10.541 -15.382 20.892 1.00 11.42 N ATOM 185 CA VAL A 10 -11.002 -16.464 21.755 1.00 24.54 C ATOM 186 C VAL A 10 -12.523 -16.485 21.843 1.00 65.31 C ATOM 187 O VAL A 10 -13.160 -15.450 22.044 1.00 73.33 O ATOM 188 CB VAL A 10 -10.417 -16.337 23.174 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.935 -17.454 24.067 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.897 -16.343 23.126 1.00 42.41 C ATOM 0 H VAL A 10 -10.859 -14.454 21.173 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.654 -17.396 21.309 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.740 -15.386 23.598 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.511 -17.348 25.065 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.022 -17.398 24.127 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.644 -18.418 23.650 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.501 -16.252 24.137 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.551 -17.277 22.683 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.549 -15.504 22.523 1.00 42.41 H new ATOM 200 N THR A 11 -13.103 -17.672 21.694 1.00 10.10 N ATOM 201 CA THR A 11 -14.550 -17.830 21.756 1.00 34.03 C ATOM 202 C THR A 11 -14.940 -18.954 22.709 1.00 20.04 C ATOM 203 O THR A 11 -14.083 -19.685 23.205 1.00 73.43 O ATOM 204 CB THR A 11 -15.144 -18.122 20.365 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.383 -19.145 19.712 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.158 -16.867 19.508 1.00 3.03 C ATOM 0 H THR A 11 -12.591 -18.539 21.529 1.00 10.10 H new ATOM 0 HA THR A 11 -14.955 -16.888 22.125 1.00 34.03 H new ATOM 0 HB THR A 11 -16.171 -18.463 20.497 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.768 -19.326 18.829 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.582 -17.098 18.531 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.763 -16.101 19.994 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.139 -16.500 19.384 1.00 3.03 H new ATOM 214 N SER A 12 -16.239 -19.086 22.961 1.00 72.20 N ATOM 215 CA SER A 12 -16.742 -20.119 23.859 1.00 63.13 C ATOM 216 C SER A 12 -17.032 -21.408 23.095 1.00 64.31 C ATOM 217 O SER A 12 -17.318 -21.383 21.897 1.00 41.10 O ATOM 218 CB SER A 12 -18.009 -19.637 24.567 1.00 31.13 C ATOM 219 OG SER A 12 -18.054 -20.102 25.905 1.00 24.24 O ATOM 0 H SER A 12 -16.962 -18.491 22.556 1.00 72.20 H new ATOM 0 HA SER A 12 -15.974 -20.323 24.605 1.00 63.13 H new ATOM 0 HB2 SER A 12 -18.043 -18.548 24.556 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.888 -19.989 24.027 1.00 31.13 H new ATOM 0 HG SER A 12 -18.836 -20.681 26.024 1.00 24.24 H new ATOM 225 N LYS A 13 -16.956 -22.534 23.796 1.00 44.22 N ATOM 226 CA LYS A 13 -17.211 -23.834 23.186 1.00 60.22 C ATOM 227 C LYS A 13 -18.674 -24.233 23.347 1.00 54.30 C ATOM 228 O LYS A 13 -19.034 -25.398 23.176 1.00 2.34 O ATOM 229 CB LYS A 13 -16.308 -24.900 23.812 1.00 51.22 C ATOM 230 CG LYS A 13 -15.899 -25.995 22.844 1.00 2.31 C ATOM 231 CD LYS A 13 -14.776 -26.848 23.409 1.00 13.33 C ATOM 232 CE LYS A 13 -13.848 -27.347 22.312 1.00 53.45 C ATOM 233 NZ LYS A 13 -14.593 -28.056 21.235 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.720 -22.573 24.788 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.989 -23.758 22.122 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.411 -24.420 24.204 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.825 -25.350 24.659 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.760 -26.626 22.622 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.580 -25.549 21.902 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.205 -26.267 24.133 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -15.198 -27.698 23.945 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -13.306 -26.504 21.884 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -13.105 -28.019 22.742 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -13.922 -28.567 20.627 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.259 -28.732 21.661 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -15.120 -27.364 20.664 1.00 51.21 H new ATOM 247 N THR A 14 -19.515 -23.258 23.679 1.00 41.41 N ATOM 248 CA THR A 14 -20.940 -23.508 23.864 1.00 75.14 C ATOM 249 C THR A 14 -21.717 -23.233 22.581 1.00 53.42 C ATOM 250 O THR A 14 -22.385 -24.118 22.047 1.00 1.11 O ATOM 251 CB THR A 14 -21.519 -22.642 24.997 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.588 -21.614 25.354 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.836 -23.491 26.219 1.00 0.42 C ATOM 0 H THR A 14 -19.234 -22.288 23.825 1.00 41.41 H new ATOM 0 HA THR A 14 -21.045 -24.560 24.131 1.00 75.14 H new ATOM 0 HB THR A 14 -22.443 -22.187 24.640 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.587 -21.497 26.327 1.00 34.11 H new ATOM 0 HG21 THR A 14 -22.244 -22.857 27.006 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.567 -24.254 25.952 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.924 -23.971 26.575 1.00 0.42 H new ATOM 261 N ASP A 15 -21.624 -22.001 22.092 1.00 13.30 N ATOM 262 CA ASP A 15 -22.318 -21.609 20.870 1.00 3.24 C ATOM 263 C ASP A 15 -21.325 -21.166 19.800 1.00 54.23 C ATOM 264 O ASP A 15 -21.602 -21.259 18.605 1.00 30.21 O ATOM 265 CB ASP A 15 -23.311 -20.483 21.160 1.00 34.54 C ATOM 266 CG ASP A 15 -24.650 -21.003 21.646 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.664 -21.803 22.605 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.685 -20.611 21.067 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.075 -21.257 22.523 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.864 -22.476 20.497 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.889 -19.815 21.911 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.460 -19.892 20.256 1.00 34.54 H new ATOM 273 N GLY A 16 -20.168 -20.681 20.239 1.00 45.50 N ATOM 274 CA GLY A 16 -19.152 -20.228 19.306 1.00 13.14 C ATOM 275 C GLY A 16 -19.053 -18.717 19.244 1.00 50.04 C ATOM 276 O GLY A 16 -18.692 -18.155 18.211 1.00 53.34 O ATOM 0 H GLY A 16 -19.916 -20.594 21.223 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.186 -20.640 19.597 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.377 -20.615 18.312 1.00 13.14 H new ATOM 280 N GLN A 17 -19.378 -18.059 20.352 1.00 15.14 N ATOM 281 CA GLN A 17 -19.326 -16.603 20.418 1.00 71.43 C ATOM 282 C GLN A 17 -18.025 -16.133 21.062 1.00 32.32 C ATOM 283 O GLN A 17 -17.349 -16.880 21.770 1.00 12.20 O ATOM 284 CB GLN A 17 -20.521 -16.064 21.205 1.00 54.31 C ATOM 285 CG GLN A 17 -21.702 -15.678 20.329 1.00 63.40 C ATOM 286 CD GLN A 17 -22.970 -15.445 21.128 1.00 73.24 C ATOM 287 OE1 GLN A 17 -23.637 -16.392 21.546 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.309 -14.180 21.345 1.00 74.15 N ATOM 0 H GLN A 17 -19.680 -18.510 21.216 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.366 -16.217 19.399 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.843 -16.819 21.923 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.205 -15.193 21.779 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.456 -14.774 19.773 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -21.878 -16.465 19.596 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.727 -13.426 20.980 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.152 -13.962 21.877 1.00 74.15 H new ATOM 297 N PRO A 18 -17.664 -14.866 20.810 1.00 51.11 N ATOM 298 CA PRO A 18 -16.443 -14.267 21.355 1.00 61.23 C ATOM 299 C PRO A 18 -16.526 -14.048 22.862 1.00 5.35 C ATOM 300 O PRO A 18 -17.598 -13.764 23.398 1.00 41.13 O ATOM 301 CB PRO A 18 -16.347 -12.927 20.623 1.00 11.54 C ATOM 302 CG PRO A 18 -17.750 -12.602 20.245 1.00 0.34 C ATOM 303 CD PRO A 18 -18.422 -13.920 19.975 1.00 14.12 C ATOM 0 HA PRO A 18 -15.575 -14.910 21.210 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.921 -12.155 21.264 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.707 -13.001 19.744 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.255 -12.063 21.047 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.778 -11.962 19.363 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.477 -13.897 20.250 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.373 -14.187 18.919 1.00 14.12 H new ATOM 311 N ILE A 19 -15.391 -14.181 23.538 1.00 51.31 N ATOM 312 CA ILE A 19 -15.338 -13.996 24.984 1.00 72.32 C ATOM 313 C ILE A 19 -14.884 -12.584 25.340 1.00 61.13 C ATOM 314 O ILE A 19 -13.765 -12.180 25.019 1.00 31.30 O ATOM 315 CB ILE A 19 -14.388 -15.010 25.646 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.683 -16.424 25.142 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.516 -14.945 27.161 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.097 -16.881 25.421 1.00 75.31 C ATOM 0 H ILE A 19 -14.496 -14.416 23.109 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.348 -14.157 25.361 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.363 -14.755 25.376 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.502 -16.463 24.068 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.986 -17.120 25.608 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.838 -15.668 27.615 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.261 -13.943 27.505 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.541 -15.178 27.450 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.235 -17.892 25.036 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.276 -16.874 26.496 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.800 -16.207 24.932 1.00 75.31 H new ATOM 330 N ILE A 20 -15.758 -11.838 26.006 1.00 0.14 N ATOM 331 CA ILE A 20 -15.448 -10.471 26.408 1.00 33.25 C ATOM 332 C ILE A 20 -15.074 -10.406 27.885 1.00 4.43 C ATOM 333 O ILE A 20 -15.547 -11.204 28.692 1.00 31.01 O ATOM 334 CB ILE A 20 -16.633 -9.524 26.147 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.168 -9.720 24.727 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.212 -8.078 26.365 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.401 -8.897 24.427 1.00 42.20 C ATOM 0 H ILE A 20 -16.688 -12.157 26.279 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.599 -10.149 25.805 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.431 -9.761 26.851 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.386 -9.461 24.014 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.400 -10.775 24.577 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.060 -7.420 26.177 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -15.873 -7.949 27.393 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.400 -7.828 25.682 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.725 -9.086 23.403 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.199 -9.172 25.117 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.169 -7.838 24.544 1.00 42.20 H new ATOM 349 N GLY A 21 -14.221 -9.446 28.232 1.00 4.13 N ATOM 350 CA GLY A 21 -13.800 -9.291 29.613 1.00 62.52 C ATOM 351 C GLY A 21 -12.995 -10.476 30.108 1.00 10.52 C ATOM 352 O GLY A 21 -13.249 -10.996 31.194 1.00 13.11 O ATOM 0 H GLY A 21 -13.814 -8.773 27.582 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.203 -8.384 29.708 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.678 -9.162 30.246 1.00 62.52 H new ATOM 356 N ALA A 22 -12.022 -10.905 29.310 1.00 14.24 N ATOM 357 CA ALA A 22 -11.178 -12.036 29.675 1.00 24.05 C ATOM 358 C ALA A 22 -9.888 -11.565 30.339 1.00 13.45 C ATOM 359 O ALA A 22 -9.480 -10.414 30.181 1.00 23.13 O ATOM 360 CB ALA A 22 -10.865 -12.877 28.447 1.00 63.11 C ATOM 0 H ALA A 22 -11.799 -10.486 28.407 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.723 -12.649 30.393 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.234 -13.718 28.733 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.794 -13.250 28.015 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.343 -12.266 27.711 1.00 63.11 H new ATOM 366 N SER A 23 -9.250 -12.463 31.084 1.00 20.43 N ATOM 367 CA SER A 23 -8.009 -12.139 31.777 1.00 45.41 C ATOM 368 C SER A 23 -6.814 -12.783 31.080 1.00 32.33 C ATOM 369 O SER A 23 -6.618 -13.997 31.153 1.00 40.44 O ATOM 370 CB SER A 23 -8.076 -12.602 33.232 1.00 52.44 C ATOM 371 OG SER A 23 -8.626 -11.594 34.063 1.00 21.24 O ATOM 0 H SER A 23 -9.573 -13.421 31.223 1.00 20.43 H new ATOM 0 HA SER A 23 -7.881 -11.057 31.754 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.681 -13.506 33.302 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.076 -12.860 33.581 1.00 52.44 H new ATOM 0 HG SER A 23 -8.660 -11.915 34.988 1.00 21.24 H new ATOM 377 N VAL A 24 -6.018 -11.962 30.404 1.00 70.10 N ATOM 378 CA VAL A 24 -4.841 -12.450 29.694 1.00 11.40 C ATOM 379 C VAL A 24 -3.559 -11.940 30.341 1.00 21.15 C ATOM 380 O VAL A 24 -3.410 -10.744 30.593 1.00 75.44 O ATOM 381 CB VAL A 24 -4.861 -12.024 28.214 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.790 -12.767 27.430 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.237 -12.261 27.610 1.00 64.12 C ATOM 0 H VAL A 24 -6.166 -10.955 30.333 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.866 -13.538 29.751 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.644 -10.957 28.158 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.819 -12.453 26.387 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.810 -12.541 27.849 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.973 -13.840 27.491 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.233 -11.954 26.564 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.486 -13.320 27.677 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.979 -11.679 28.156 1.00 64.12 H new ATOM 393 N VAL A 25 -2.632 -12.855 30.608 1.00 54.40 N ATOM 394 CA VAL A 25 -1.360 -12.500 31.225 1.00 74.22 C ATOM 395 C VAL A 25 -0.232 -13.384 30.708 1.00 74.52 C ATOM 396 O VAL A 25 -0.439 -14.562 30.414 1.00 52.34 O ATOM 397 CB VAL A 25 -1.428 -12.616 32.759 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.590 -11.802 33.306 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.544 -14.074 33.177 1.00 31.03 C ATOM 0 H VAL A 25 -2.739 -13.849 30.406 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.157 -11.464 30.956 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.506 -12.213 33.178 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.621 -11.897 34.391 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.459 -10.754 33.037 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.524 -12.171 32.882 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.591 -14.138 34.264 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.449 -14.504 32.749 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.675 -14.626 32.818 1.00 31.03 H new ATOM 409 N GLU A 26 0.963 -12.811 30.602 1.00 60.03 N ATOM 410 CA GLU A 26 2.124 -13.549 30.120 1.00 2.03 C ATOM 411 C GLU A 26 2.730 -14.398 31.234 1.00 74.12 C ATOM 412 O GLU A 26 2.305 -14.325 32.387 1.00 32.34 O ATOM 413 CB GLU A 26 3.177 -12.584 29.569 1.00 54.12 C ATOM 414 CG GLU A 26 3.317 -12.633 28.057 1.00 11.04 C ATOM 415 CD GLU A 26 4.208 -13.767 27.591 1.00 42.11 C ATOM 416 OE1 GLU A 26 4.288 -13.994 26.365 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.828 -14.427 28.452 1.00 73.20 O1- ATOM 0 H GLU A 26 1.152 -11.838 30.843 1.00 60.03 H new ATOM 0 HA GLU A 26 1.795 -14.212 29.320 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.919 -11.568 29.869 1.00 54.12 H new ATOM 0 HB3 GLU A 26 4.141 -12.815 30.022 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.330 -12.743 27.608 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.725 -11.686 27.703 1.00 11.04 H new ATOM 424 N THR A 27 3.725 -15.205 30.880 1.00 32.44 N ATOM 425 CA THR A 27 4.388 -16.070 31.847 1.00 21.42 C ATOM 426 C THR A 27 5.207 -15.256 32.843 1.00 43.23 C ATOM 427 O THR A 27 5.201 -15.533 34.042 1.00 52.43 O ATOM 428 CB THR A 27 5.312 -17.088 31.151 1.00 43.33 C ATOM 429 OG1 THR A 27 6.243 -16.404 30.305 1.00 43.23 O ATOM 430 CG2 THR A 27 4.502 -18.078 30.328 1.00 11.11 C ATOM 0 H THR A 27 4.089 -15.277 29.930 1.00 32.44 H new ATOM 0 HA THR A 27 3.603 -16.608 32.379 1.00 21.42 H new ATOM 0 HB THR A 27 5.856 -17.638 31.919 1.00 43.33 H new ATOM 0 HG1 THR A 27 6.358 -16.907 29.472 1.00 43.23 H new ATOM 0 HG21 THR A 27 5.175 -18.787 29.846 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.814 -18.617 30.980 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.935 -17.541 29.567 1.00 11.11 H new ATOM 438 N THR A 28 5.911 -14.247 32.337 1.00 30.42 N ATOM 439 CA THR A 28 6.735 -13.392 33.182 1.00 4.41 C ATOM 440 C THR A 28 6.173 -11.977 33.247 1.00 13.12 C ATOM 441 O THR A 28 6.453 -11.229 34.184 1.00 64.00 O ATOM 442 CB THR A 28 8.188 -13.332 32.673 1.00 64.03 C ATOM 443 OG1 THR A 28 8.203 -13.120 31.257 1.00 63.55 O ATOM 444 CG2 THR A 28 8.931 -14.618 33.006 1.00 20.21 C ATOM 0 H THR A 28 5.927 -14.003 31.347 1.00 30.42 H new ATOM 0 HA THR A 28 6.725 -13.830 34.180 1.00 4.41 H new ATOM 0 HB THR A 28 8.690 -12.501 33.169 1.00 64.03 H new ATOM 0 HG1 THR A 28 9.130 -13.081 30.942 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.955 -14.553 32.637 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.943 -14.762 34.086 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.428 -15.462 32.533 1.00 20.21 H new ATOM 452 N ALA A 29 5.378 -11.614 32.246 1.00 21.15 N ATOM 453 CA ALA A 29 4.774 -10.289 32.191 1.00 63.21 C ATOM 454 C ALA A 29 3.293 -10.345 32.551 1.00 61.33 C ATOM 455 O ALA A 29 2.427 -10.273 31.679 1.00 2.51 O ATOM 456 CB ALA A 29 4.960 -9.681 30.809 1.00 62.41 C ATOM 0 H ALA A 29 5.137 -12.220 31.462 1.00 21.15 H new ATOM 0 HA ALA A 29 5.276 -9.658 32.924 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.504 -8.691 30.782 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.024 -9.596 30.589 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.485 -10.319 30.064 1.00 62.41 H new ATOM 462 N THR A 30 3.007 -10.476 33.843 1.00 64.05 N ATOM 463 CA THR A 30 1.632 -10.543 34.319 1.00 52.03 C ATOM 464 C THR A 30 1.062 -9.150 34.557 1.00 44.32 C ATOM 465 O THR A 30 -0.118 -8.899 34.311 1.00 33.44 O ATOM 466 CB THR A 30 1.527 -11.358 35.622 1.00 73.01 C ATOM 467 OG1 THR A 30 2.539 -10.938 36.544 1.00 1.52 O ATOM 468 CG2 THR A 30 1.674 -12.847 35.344 1.00 41.22 C ATOM 0 H THR A 30 3.711 -10.538 34.579 1.00 64.05 H new ATOM 0 HA THR A 30 1.053 -11.040 33.540 1.00 52.03 H new ATOM 0 HB THR A 30 0.543 -11.182 36.056 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.465 -11.459 37.371 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.596 -13.401 36.279 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.885 -13.170 34.664 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.646 -13.038 34.889 1.00 41.22 H new ATOM 476 N THR A 31 1.909 -8.244 35.036 1.00 20.21 N ATOM 477 CA THR A 31 1.490 -6.874 35.308 1.00 74.23 C ATOM 478 C THR A 31 0.944 -6.207 34.051 1.00 5.21 C ATOM 479 O THR A 31 0.098 -5.317 34.127 1.00 44.33 O ATOM 480 CB THR A 31 2.655 -6.030 35.859 1.00 70.21 C ATOM 481 OG1 THR A 31 3.888 -6.447 35.262 1.00 65.04 O ATOM 482 CG2 THR A 31 2.749 -6.160 37.372 1.00 32.33 C ATOM 0 H THR A 31 2.889 -8.434 35.244 1.00 20.21 H new ATOM 0 HA THR A 31 0.702 -6.927 36.059 1.00 74.23 H new ATOM 0 HB THR A 31 2.467 -4.985 35.611 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.623 -5.904 35.616 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.579 -5.555 37.738 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.820 -5.814 37.825 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.916 -7.204 37.638 1.00 32.33 H new ATOM 490 N ASN A 32 1.433 -6.644 32.894 1.00 33.34 N ATOM 491 CA ASN A 32 0.992 -6.088 31.620 1.00 52.15 C ATOM 492 C ASN A 32 -0.136 -6.924 31.024 1.00 70.20 C ATOM 493 O ASN A 32 -0.270 -7.023 29.804 1.00 25.25 O ATOM 494 CB ASN A 32 2.164 -6.017 30.639 1.00 21.20 C ATOM 495 CG ASN A 32 3.472 -5.672 31.325 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.497 -4.908 32.289 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.566 -6.235 30.827 1.00 53.21 N ATOM 0 H ASN A 32 2.134 -7.381 32.813 1.00 33.34 H new ATOM 0 HA ASN A 32 0.617 -5.081 31.801 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.266 -6.975 30.129 1.00 21.20 H new ATOM 0 HB3 ASN A 32 1.950 -5.270 29.875 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.476 -6.040 31.245 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.497 -6.863 30.026 1.00 53.21 H new ATOM 504 N GLY A 33 -0.945 -7.522 31.891 1.00 61.22 N ATOM 505 CA GLY A 33 -2.052 -8.340 31.431 1.00 53.12 C ATOM 506 C GLY A 33 -3.043 -7.558 30.594 1.00 52.44 C ATOM 507 O GLY A 33 -3.311 -6.386 30.865 1.00 13.13 O ATOM 0 H GLY A 33 -0.854 -7.455 32.905 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.665 -9.174 30.845 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.566 -8.767 32.292 1.00 53.12 H new ATOM 511 N THR A 34 -3.590 -8.205 29.568 1.00 73.43 N ATOM 512 CA THR A 34 -4.555 -7.561 28.686 1.00 24.51 C ATOM 513 C THR A 34 -5.906 -8.264 28.742 1.00 64.20 C ATOM 514 O THR A 34 -5.998 -9.417 29.163 1.00 40.52 O ATOM 515 CB THR A 34 -4.058 -7.544 27.228 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.661 -7.231 27.190 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.833 -6.526 26.404 1.00 1.21 C ATOM 0 H THR A 34 -3.381 -9.174 29.328 1.00 73.43 H new ATOM 0 HA THR A 34 -4.668 -6.535 29.036 1.00 24.51 H new ATOM 0 HB THR A 34 -4.220 -8.534 26.801 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.453 -6.766 26.353 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.465 -6.532 25.378 1.00 1.21 H new ATOM 0 HG22 THR A 34 -5.892 -6.783 26.411 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.698 -5.533 26.832 1.00 1.21 H new ATOM 525 N ILE A 35 -6.951 -7.563 28.315 1.00 53.35 N ATOM 526 CA ILE A 35 -8.297 -8.122 28.316 1.00 41.13 C ATOM 527 C ILE A 35 -8.845 -8.236 26.897 1.00 31.20 C ATOM 528 O ILE A 35 -8.507 -7.438 26.023 1.00 21.21 O ATOM 529 CB ILE A 35 -9.261 -7.268 29.160 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.177 -5.799 28.740 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.945 -7.420 30.641 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.430 -5.011 29.048 1.00 62.41 C ATOM 0 H ILE A 35 -6.891 -6.607 27.964 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.226 -9.116 28.757 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.279 -7.618 28.988 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.331 -5.333 29.245 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.978 -5.746 27.670 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.635 -6.810 31.225 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.051 -8.466 30.930 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.923 -7.093 30.830 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.300 -3.979 28.724 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.276 -5.453 28.522 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.619 -5.033 30.121 1.00 62.41 H new ATOM 544 N THR A 36 -9.696 -9.233 26.676 1.00 11.05 N ATOM 545 CA THR A 36 -10.293 -9.451 25.365 1.00 11.35 C ATOM 546 C THR A 36 -11.293 -8.352 25.025 1.00 20.04 C ATOM 547 O THR A 36 -11.915 -7.770 25.914 1.00 42.14 O ATOM 548 CB THR A 36 -11.004 -10.816 25.290 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.815 -11.009 26.454 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.993 -11.947 25.178 1.00 55.34 C ATOM 0 H THR A 36 -9.987 -9.902 27.389 1.00 11.05 H new ATOM 0 HA THR A 36 -9.478 -9.433 24.642 1.00 11.35 H new ATOM 0 HB THR A 36 -11.635 -10.824 24.401 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.684 -11.376 26.190 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.518 -12.901 25.127 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.395 -11.813 24.276 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.340 -11.939 26.051 1.00 55.34 H new ATOM 558 N ASP A 37 -11.443 -8.073 23.735 1.00 12.13 N ATOM 559 CA ASP A 37 -12.370 -7.044 23.279 1.00 12.53 C ATOM 560 C ASP A 37 -13.784 -7.601 23.157 1.00 15.53 C ATOM 561 O ASP A 37 -14.041 -8.754 23.506 1.00 0.31 O ATOM 562 CB ASP A 37 -11.914 -6.479 21.932 1.00 5.44 C ATOM 563 CG ASP A 37 -10.699 -5.582 22.062 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.328 -4.935 21.060 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.119 -5.525 23.167 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.935 -8.545 22.987 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.377 -6.243 24.018 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.684 -7.302 21.255 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.731 -5.916 21.482 1.00 5.44 H new ATOM 570 N PHE A 38 -14.700 -6.775 22.662 1.00 33.31 N ATOM 571 CA PHE A 38 -16.090 -7.185 22.497 1.00 53.25 C ATOM 572 C PHE A 38 -16.193 -8.403 21.584 1.00 61.41 C ATOM 573 O PHE A 38 -17.095 -9.228 21.732 1.00 72.12 O ATOM 574 CB PHE A 38 -16.918 -6.033 21.925 1.00 35.41 C ATOM 575 CG PHE A 38 -18.376 -6.108 22.279 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.265 -6.797 21.470 1.00 64.43 C ATOM 577 CD2 PHE A 38 -18.857 -5.490 23.422 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.607 -6.869 21.795 1.00 20.23 C ATOM 579 CE2 PHE A 38 -20.197 -5.558 23.752 1.00 23.43 C ATOM 580 CZ PHE A 38 -21.073 -6.248 22.937 1.00 34.05 C ATOM 0 H PHE A 38 -14.505 -5.818 22.368 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.483 -7.454 23.478 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.512 -5.089 22.289 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -16.816 -6.027 20.840 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.906 -7.283 20.575 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -18.176 -4.949 24.063 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.290 -7.410 21.157 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -20.559 -5.072 24.646 1.00 23.43 H new ATOM 0 HZ PHE A 38 -22.121 -6.302 23.193 1.00 34.05 H new ATOM 590 N ASP A 39 -15.264 -8.509 20.641 1.00 22.51 N ATOM 591 CA ASP A 39 -15.248 -9.627 19.704 1.00 30.24 C ATOM 592 C ASP A 39 -14.238 -10.685 20.137 1.00 3.40 C ATOM 593 O ASP A 39 -13.775 -11.484 19.325 1.00 20.40 O ATOM 594 CB ASP A 39 -14.917 -9.133 18.295 1.00 73.22 C ATOM 595 CG ASP A 39 -15.937 -8.141 17.774 1.00 23.23 C ATOM 596 OD1 ASP A 39 -17.138 -8.313 18.071 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.536 -7.191 17.070 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.511 -7.834 20.505 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.240 -10.079 19.698 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.931 -8.668 18.299 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.865 -9.985 17.617 1.00 73.22 H new ATOM 602 N GLY A 40 -13.900 -10.682 21.423 1.00 73.03 N ATOM 603 CA GLY A 40 -12.946 -11.646 21.940 1.00 73.43 C ATOM 604 C GLY A 40 -11.570 -11.487 21.327 1.00 75.31 C ATOM 605 O GLY A 40 -10.813 -12.451 21.223 1.00 64.34 O ATOM 0 H GLY A 40 -14.269 -10.030 22.115 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.873 -11.536 23.022 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.312 -12.654 21.746 1.00 73.43 H new ATOM 609 N ASN A 41 -11.244 -10.264 20.916 1.00 12.43 N ATOM 610 CA ASN A 41 -9.951 -9.983 20.306 1.00 23.51 C ATOM 611 C ASN A 41 -9.087 -9.131 21.231 1.00 23.24 C ATOM 612 O ASN A 41 -9.540 -8.116 21.760 1.00 21.02 O ATOM 613 CB ASN A 41 -10.139 -9.269 18.965 1.00 52.24 C ATOM 614 CG ASN A 41 -11.078 -10.018 18.039 1.00 71.23 C ATOM 615 OD1 ASN A 41 -11.211 -11.239 18.127 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.735 -9.287 17.146 1.00 22.41 N ATOM 0 H ASN A 41 -11.858 -9.454 20.995 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.444 -10.933 20.136 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -10.530 -8.267 19.141 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.170 -9.152 18.479 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -12.381 -9.735 16.497 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.593 -8.278 17.110 1.00 22.41 H new ATOM 623 N PHE A 42 -7.841 -9.551 21.422 1.00 71.21 N ATOM 624 CA PHE A 42 -6.913 -8.827 22.283 1.00 52.03 C ATOM 625 C PHE A 42 -5.606 -8.534 21.552 1.00 31.22 C ATOM 626 O PHE A 42 -5.346 -9.080 20.479 1.00 60.33 O ATOM 627 CB PHE A 42 -6.631 -9.631 23.554 1.00 2.54 C ATOM 628 CG PHE A 42 -6.265 -11.064 23.287 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.938 -11.454 23.220 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.251 -12.020 23.103 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.600 -12.771 22.975 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.919 -13.339 22.858 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.590 -13.715 22.794 1.00 22.53 C ATOM 0 H PHE A 42 -7.450 -10.389 20.992 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.375 -7.878 22.556 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.820 -9.154 24.104 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.512 -9.603 24.196 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.158 -10.720 23.361 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.291 -11.731 23.152 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.561 -13.062 22.925 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.697 -14.075 22.717 1.00 3.45 H new ATOM 0 HZ PHE A 42 -5.327 -14.745 22.603 1.00 22.53 H new ATOM 643 N THR A 43 -4.787 -7.667 22.139 1.00 70.14 N ATOM 644 CA THR A 43 -3.509 -7.300 21.543 1.00 1.25 C ATOM 645 C THR A 43 -2.408 -7.244 22.597 1.00 72.34 C ATOM 646 O THR A 43 -2.478 -6.457 23.542 1.00 32.41 O ATOM 647 CB THR A 43 -3.593 -5.936 20.831 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.298 -5.553 20.353 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.129 -4.867 21.771 1.00 0.43 C ATOM 0 H THR A 43 -4.986 -7.206 23.027 1.00 70.14 H new ATOM 0 HA THR A 43 -3.268 -8.070 20.810 1.00 1.25 H new ATOM 0 HB THR A 43 -4.277 -6.032 19.988 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.360 -4.686 19.900 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.179 -3.913 21.246 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.126 -5.148 22.110 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.466 -4.773 22.631 1.00 0.43 H new ATOM 657 N LEU A 44 -1.391 -8.082 22.428 1.00 30.33 N ATOM 658 CA LEU A 44 -0.273 -8.128 23.364 1.00 30.51 C ATOM 659 C LEU A 44 1.021 -8.501 22.648 1.00 15.23 C ATOM 660 O LEU A 44 1.216 -9.652 22.258 1.00 43.42 O ATOM 661 CB LEU A 44 -0.560 -9.131 24.481 1.00 2.24 C ATOM 662 CG LEU A 44 -0.054 -8.748 25.873 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.314 -9.873 26.863 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.428 -8.407 25.827 1.00 72.23 C ATOM 0 H LEU A 44 -1.318 -8.739 21.651 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.152 -7.136 23.798 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.638 -9.283 24.537 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.117 -10.088 24.206 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.599 -7.865 26.207 1.00 41.34 H new ATOM 0 HD11 LEU A 44 0.052 -9.583 27.848 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.385 -10.069 26.918 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.204 -10.774 26.534 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.770 -8.137 26.826 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.989 -9.271 25.472 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.587 -7.568 25.150 1.00 72.23 H new ATOM 676 N SER A 45 1.903 -7.520 22.482 1.00 73.42 N ATOM 677 CA SER A 45 3.179 -7.746 21.813 1.00 30.11 C ATOM 678 C SER A 45 4.327 -7.741 22.817 1.00 54.45 C ATOM 679 O SER A 45 4.535 -6.764 23.537 1.00 53.14 O ATOM 680 CB SER A 45 3.415 -6.675 20.746 1.00 12.24 C ATOM 681 OG SER A 45 4.774 -6.645 20.346 1.00 52.35 O ATOM 0 H SER A 45 1.757 -6.562 22.801 1.00 73.42 H new ATOM 0 HA SER A 45 3.142 -8.725 21.334 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.782 -6.873 19.881 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.126 -5.699 21.136 1.00 12.24 H new ATOM 0 HG SER A 45 4.899 -5.954 19.663 1.00 52.35 H new ATOM 687 N VAL A 46 5.073 -8.841 22.860 1.00 11.02 N ATOM 688 CA VAL A 46 6.201 -8.965 23.775 1.00 13.10 C ATOM 689 C VAL A 46 7.504 -9.184 23.012 1.00 41.33 C ATOM 690 O VAL A 46 7.516 -9.668 21.880 1.00 34.03 O ATOM 691 CB VAL A 46 5.997 -10.127 24.765 1.00 71.43 C ATOM 692 CG1 VAL A 46 5.019 -9.729 25.859 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.515 -11.371 24.034 1.00 21.52 C ATOM 0 H VAL A 46 4.916 -9.659 22.271 1.00 11.02 H new ATOM 0 HA VAL A 46 6.261 -8.030 24.333 1.00 13.10 H new ATOM 0 HB VAL A 46 6.955 -10.357 25.232 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.887 -10.562 26.549 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.410 -8.867 26.400 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.058 -9.472 25.412 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.376 -12.182 24.749 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.568 -11.158 23.539 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.255 -11.666 23.290 1.00 21.52 H new ATOM 703 N PRO A 47 8.628 -8.823 23.648 1.00 12.13 N ATOM 704 CA PRO A 47 9.958 -8.971 23.049 1.00 2.21 C ATOM 705 C PRO A 47 10.380 -10.432 22.928 1.00 41.24 C ATOM 706 O PRO A 47 10.834 -10.872 21.873 1.00 33.23 O ATOM 707 CB PRO A 47 10.872 -8.230 24.027 1.00 32.44 C ATOM 708 CG PRO A 47 10.155 -8.283 25.332 1.00 60.01 C ATOM 709 CD PRO A 47 8.689 -8.241 24.999 1.00 52.01 C ATOM 0 HA PRO A 47 9.993 -8.580 22.032 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.850 -8.707 24.093 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.040 -7.201 23.709 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.405 -9.192 25.879 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.436 -7.442 25.966 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.099 -8.817 25.712 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.303 -7.222 25.015 1.00 52.01 H new ATOM 717 N VAL A 48 10.225 -11.180 24.017 1.00 62.33 N ATOM 718 CA VAL A 48 10.588 -12.591 24.033 1.00 40.41 C ATOM 719 C VAL A 48 9.447 -13.458 23.514 1.00 23.10 C ATOM 720 O VAL A 48 8.275 -13.112 23.662 1.00 71.24 O ATOM 721 CB VAL A 48 10.969 -13.057 25.451 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.537 -14.468 25.416 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.961 -12.091 26.081 1.00 30.33 C ATOM 0 H VAL A 48 9.850 -10.831 24.899 1.00 62.33 H new ATOM 0 HA VAL A 48 11.452 -12.703 23.378 1.00 40.41 H new ATOM 0 HB VAL A 48 10.068 -13.069 26.064 1.00 11.01 H new ATOM 0 HG11 VAL A 48 11.800 -14.779 26.427 1.00 61.40 H new ATOM 0 HG12 VAL A 48 10.791 -15.150 25.009 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.427 -14.486 24.787 1.00 61.40 H new ATOM 0 HG21 VAL A 48 12.219 -12.436 27.082 1.00 30.33 H new ATOM 0 HG22 VAL A 48 12.862 -12.045 25.470 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.514 -11.099 26.143 1.00 30.33 H new ATOM 733 N ASN A 49 9.797 -14.587 22.907 1.00 53.04 N ATOM 734 CA ASN A 49 8.801 -15.505 22.366 1.00 3.42 C ATOM 735 C ASN A 49 8.493 -16.621 23.360 1.00 15.14 C ATOM 736 O ASN A 49 8.816 -17.784 23.122 1.00 41.55 O ATOM 737 CB ASN A 49 9.292 -16.103 21.047 1.00 63.41 C ATOM 738 CG ASN A 49 9.232 -15.109 19.904 1.00 20.23 C ATOM 739 OD1 ASN A 49 10.254 -14.780 19.299 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.033 -14.624 19.602 1.00 2.13 N ATOM 0 H ASN A 49 10.763 -14.888 22.777 1.00 53.04 H new ATOM 0 HA ASN A 49 7.885 -14.942 22.184 1.00 3.42 H new ATOM 0 HB2 ASN A 49 10.318 -16.451 21.169 1.00 63.41 H new ATOM 0 HB3 ASN A 49 8.687 -16.975 20.799 1.00 63.41 H new ATOM 0 HD21 ASN A 49 7.932 -13.951 18.842 1.00 2.13 H new ATOM 0 HD22 ASN A 49 7.214 -14.925 20.130 1.00 2.13 H new ATOM 747 N SER A 50 7.866 -16.257 24.474 1.00 44.25 N ATOM 748 CA SER A 50 7.516 -17.227 25.506 1.00 32.14 C ATOM 749 C SER A 50 6.045 -17.616 25.410 1.00 64.13 C ATOM 750 O SER A 50 5.365 -17.288 24.436 1.00 43.22 O ATOM 751 CB SER A 50 7.815 -16.656 26.894 1.00 24.20 C ATOM 752 OG SER A 50 7.995 -17.693 27.844 1.00 2.44 O ATOM 0 H SER A 50 7.590 -15.298 24.685 1.00 44.25 H new ATOM 0 HA SER A 50 8.120 -18.121 25.350 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.712 -16.038 26.851 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.997 -16.008 27.208 1.00 24.20 H new ATOM 0 HG SER A 50 8.186 -17.302 28.722 1.00 2.44 H new ATOM 758 N THR A 51 5.557 -18.320 26.426 1.00 5.13 N ATOM 759 CA THR A 51 4.167 -18.757 26.458 1.00 65.34 C ATOM 760 C THR A 51 3.269 -17.690 27.074 1.00 50.11 C ATOM 761 O THR A 51 3.747 -16.772 27.742 1.00 60.11 O ATOM 762 CB THR A 51 4.007 -20.067 27.252 1.00 55.53 C ATOM 763 OG1 THR A 51 5.218 -20.828 27.189 1.00 72.33 O ATOM 764 CG2 THR A 51 2.852 -20.893 26.704 1.00 1.44 C ATOM 0 H THR A 51 6.105 -18.600 27.239 1.00 5.13 H new ATOM 0 HA THR A 51 3.867 -18.929 25.424 1.00 65.34 H new ATOM 0 HB THR A 51 3.791 -19.814 28.290 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.109 -21.659 27.698 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.758 -21.814 27.280 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.927 -20.321 26.780 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.043 -21.137 25.659 1.00 1.44 H new ATOM 772 N LEU A 52 1.967 -17.815 26.846 1.00 33.00 N ATOM 773 CA LEU A 52 1.001 -16.861 27.380 1.00 60.43 C ATOM 774 C LEU A 52 -0.140 -17.582 28.092 1.00 61.44 C ATOM 775 O LEU A 52 -0.719 -18.528 27.559 1.00 62.04 O ATOM 776 CB LEU A 52 0.444 -15.986 26.256 1.00 25.32 C ATOM 777 CG LEU A 52 1.118 -14.627 26.066 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.622 -14.475 24.639 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.155 -13.500 26.416 1.00 44.14 C ATOM 0 H LEU A 52 1.555 -18.568 26.295 1.00 33.00 H new ATOM 0 HA LEU A 52 1.514 -16.228 28.104 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.519 -16.540 25.320 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.617 -15.820 26.444 1.00 25.32 H new ATOM 0 HG LEU A 52 1.973 -14.570 26.739 1.00 24.22 H new ATOM 0 HD11 LEU A 52 2.099 -13.502 24.523 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.345 -15.261 24.423 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.784 -14.553 23.947 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.652 -12.540 26.275 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.720 -13.555 25.768 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -0.157 -13.598 27.456 1.00 44.14 H new ATOM 791 N LYS A 53 -0.459 -17.126 29.299 1.00 74.15 N ATOM 792 CA LYS A 53 -1.532 -17.723 30.084 1.00 74.21 C ATOM 793 C LYS A 53 -2.801 -16.881 30.000 1.00 31.10 C ATOM 794 O LYS A 53 -2.780 -15.681 30.275 1.00 13.00 O ATOM 795 CB LYS A 53 -1.101 -17.872 31.545 1.00 14.13 C ATOM 796 CG LYS A 53 -2.193 -18.419 32.448 1.00 13.04 C ATOM 797 CD LYS A 53 -1.659 -18.749 33.832 1.00 71.31 C ATOM 798 CE LYS A 53 -2.022 -17.671 34.841 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.930 -17.445 35.828 1.00 24.22 N1+ ATOM 0 H LYS A 53 0.011 -16.344 29.755 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.744 -18.710 29.672 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.235 -18.533 31.594 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.782 -16.900 31.922 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.997 -17.688 32.532 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.622 -19.315 32.000 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.063 -19.707 34.160 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.575 -18.858 33.789 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.236 -16.740 34.316 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.933 -17.957 35.366 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.216 -16.703 36.498 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -0.743 -18.327 36.347 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.067 -17.147 35.329 1.00 24.22 H new ATOM 813 N ILE A 54 -3.904 -17.517 29.619 1.00 64.31 N ATOM 814 CA ILE A 54 -5.182 -16.826 29.502 1.00 34.23 C ATOM 815 C ILE A 54 -6.249 -17.495 30.362 1.00 24.45 C ATOM 816 O ILE A 54 -6.525 -18.686 30.214 1.00 52.53 O ATOM 817 CB ILE A 54 -5.667 -16.784 28.041 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.504 -16.453 27.103 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.787 -15.766 27.885 1.00 55.33 C ATOM 820 CD1 ILE A 54 -3.873 -17.673 26.470 1.00 73.40 C ATOM 0 H ILE A 54 -3.938 -18.509 29.386 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.023 -15.806 29.853 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.055 -17.767 27.774 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.860 -15.788 26.316 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.742 -15.908 27.660 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.120 -15.747 26.847 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.622 -16.042 28.529 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.423 -14.778 28.167 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.056 -17.363 25.818 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.486 -18.329 27.250 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -4.621 -18.208 25.885 1.00 73.40 H new ATOM 832 N THR A 55 -6.850 -16.720 31.260 1.00 53.10 N ATOM 833 CA THR A 55 -7.888 -17.238 32.142 1.00 62.11 C ATOM 834 C THR A 55 -9.206 -16.503 31.929 1.00 50.41 C ATOM 835 O THR A 55 -9.222 -15.309 31.632 1.00 11.34 O ATOM 836 CB THR A 55 -7.478 -17.115 33.622 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.359 -15.735 33.985 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.160 -17.827 33.881 1.00 13.32 C ATOM 0 H THR A 55 -6.636 -15.732 31.395 1.00 53.10 H new ATOM 0 HA THR A 55 -8.018 -18.291 31.894 1.00 62.11 H new ATOM 0 HB THR A 55 -8.252 -17.585 34.229 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.100 -15.666 34.928 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.892 -17.726 34.933 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.262 -18.883 33.633 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.379 -17.383 33.263 1.00 13.32 H new ATOM 846 N TYR A 56 -10.311 -17.224 32.084 1.00 11.42 N ATOM 847 CA TYR A 56 -11.636 -16.641 31.907 1.00 11.02 C ATOM 848 C TYR A 56 -12.531 -16.949 33.102 1.00 62.40 C ATOM 849 O TYR A 56 -12.327 -17.939 33.807 1.00 41.44 O ATOM 850 CB TYR A 56 -12.280 -17.168 30.623 1.00 44.12 C ATOM 851 CG TYR A 56 -11.402 -17.027 29.402 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.360 -17.915 29.163 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.614 -16.004 28.485 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.554 -17.788 28.049 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.814 -15.872 27.366 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.785 -16.765 27.153 1.00 31.42 C ATOM 857 OH TYR A 56 -8.986 -16.636 26.040 1.00 41.25 O ATOM 0 H TYR A 56 -10.315 -18.213 32.332 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.522 -15.560 31.831 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.533 -18.220 30.759 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.215 -16.635 30.451 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.177 -18.719 29.861 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.417 -15.301 28.650 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.747 -18.486 27.880 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -10.994 -15.073 26.662 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.661 -17.519 25.766 1.00 41.25 H new ATOM 867 N ILE A 57 -13.523 -16.093 33.326 1.00 62.21 N ATOM 868 CA ILE A 57 -14.451 -16.273 34.435 1.00 35.22 C ATOM 869 C ILE A 57 -15.670 -17.083 34.006 1.00 41.02 C ATOM 870 O ILE A 57 -16.522 -16.597 33.264 1.00 74.23 O ATOM 871 CB ILE A 57 -14.922 -14.921 35.002 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.983 -15.137 36.082 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.465 -14.040 33.886 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.514 -16.010 37.224 1.00 34.03 C ATOM 0 H ILE A 57 -13.704 -15.268 32.754 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.911 -16.815 35.212 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.069 -14.416 35.455 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.289 -14.169 36.478 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -16.865 -15.589 35.628 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.794 -13.088 34.302 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.682 -13.863 33.149 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.308 -14.538 33.407 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.318 -16.120 37.952 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.235 -16.992 36.841 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.651 -15.549 37.704 1.00 34.03 H new ATOM 886 N GLY A 58 -15.747 -18.324 34.480 1.00 41.22 N ATOM 887 CA GLY A 58 -16.866 -19.181 34.136 1.00 34.45 C ATOM 888 C GLY A 58 -16.423 -20.487 33.507 1.00 45.03 C ATOM 889 O GLY A 58 -16.839 -21.564 33.936 1.00 23.42 O ATOM 0 H GLY A 58 -15.054 -18.750 35.096 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.447 -19.392 35.033 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.525 -18.654 33.446 1.00 34.45 H new ATOM 893 N TYR A 59 -15.580 -20.393 32.484 1.00 61.23 N ATOM 894 CA TYR A 59 -15.085 -21.576 31.792 1.00 30.13 C ATOM 895 C TYR A 59 -13.629 -21.852 32.156 1.00 1.25 C ATOM 896 O TYR A 59 -12.974 -21.037 32.806 1.00 60.34 O ATOM 897 CB TYR A 59 -15.218 -21.400 30.278 1.00 42.25 C ATOM 898 CG TYR A 59 -16.648 -21.439 29.787 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.073 -22.425 28.905 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.573 -20.489 30.203 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.379 -22.464 28.454 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.880 -20.522 29.758 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.278 -21.511 28.884 1.00 4.31 C ATOM 904 OH TYR A 59 -20.579 -21.545 28.436 1.00 24.41 O ATOM 0 H TYR A 59 -15.226 -19.510 32.116 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.687 -22.428 32.107 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.770 -20.449 29.990 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.650 -22.184 29.778 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.371 -23.173 28.566 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.264 -19.711 30.886 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.694 -23.237 27.768 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.586 -19.777 30.093 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.082 -20.804 28.835 1.00 24.41 H new ATOM 914 N LYS A 60 -13.129 -23.008 31.734 1.00 52.23 N ATOM 915 CA LYS A 60 -11.751 -23.393 32.013 1.00 72.32 C ATOM 916 C LYS A 60 -10.772 -22.489 31.270 1.00 51.35 C ATOM 917 O LYS A 60 -11.039 -22.021 30.163 1.00 73.04 O ATOM 918 CB LYS A 60 -11.517 -24.852 31.614 1.00 13.13 C ATOM 919 CG LYS A 60 -11.817 -25.843 32.726 1.00 75.30 C ATOM 920 CD LYS A 60 -10.866 -27.027 32.690 1.00 4.44 C ATOM 921 CE LYS A 60 -10.755 -27.694 34.053 1.00 2.10 C ATOM 922 NZ LYS A 60 -9.681 -27.083 34.883 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.658 -23.695 31.197 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.579 -23.283 33.084 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.139 -25.088 30.751 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.480 -24.972 31.302 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.740 -25.342 33.691 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.844 -26.197 32.632 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.215 -27.753 31.956 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -9.880 -26.694 32.365 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.708 -27.613 34.576 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -10.552 -28.757 33.922 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -9.637 -27.565 35.804 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -8.767 -27.182 34.396 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.887 -26.074 35.030 1.00 3.41 H new ATOM 936 N PRO A 61 -9.610 -22.237 31.891 1.00 20.42 N ATOM 937 CA PRO A 61 -8.567 -21.389 31.306 1.00 52.34 C ATOM 938 C PRO A 61 -7.896 -22.043 30.104 1.00 43.11 C ATOM 939 O PRO A 61 -8.187 -23.190 29.765 1.00 71.32 O ATOM 940 CB PRO A 61 -7.565 -21.218 32.451 1.00 12.55 C ATOM 941 CG PRO A 61 -7.764 -22.419 33.311 1.00 64.21 C ATOM 942 CD PRO A 61 -9.224 -22.762 33.212 1.00 62.33 C ATOM 0 HA PRO A 61 -8.969 -20.448 30.930 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.542 -21.164 32.077 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.751 -20.298 33.006 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.144 -23.249 32.972 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.481 -22.211 34.343 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.390 -23.837 33.281 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.801 -22.299 34.013 1.00 62.33 H new ATOM 950 N VAL A 62 -6.995 -21.306 29.462 1.00 41.12 N ATOM 951 CA VAL A 62 -6.280 -21.815 28.298 1.00 22.22 C ATOM 952 C VAL A 62 -4.890 -21.198 28.193 1.00 13.54 C ATOM 953 O VAL A 62 -4.697 -20.019 28.493 1.00 74.11 O ATOM 954 CB VAL A 62 -7.054 -21.532 26.996 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.471 -22.079 27.087 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.068 -20.041 26.697 1.00 33.21 C ATOM 0 H VAL A 62 -6.743 -20.354 29.729 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.187 -22.893 28.431 1.00 22.22 H new ATOM 0 HB VAL A 62 -6.546 -22.039 26.175 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.002 -21.870 26.158 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.435 -23.156 27.250 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -8.992 -21.603 27.918 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.619 -19.860 25.774 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -7.550 -19.510 27.518 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.045 -19.683 26.585 1.00 33.21 H new ATOM 966 N THR A 63 -3.922 -22.002 27.765 1.00 11.33 N ATOM 967 CA THR A 63 -2.548 -21.537 27.621 1.00 11.40 C ATOM 968 C THR A 63 -2.052 -21.721 26.192 1.00 54.21 C ATOM 969 O THR A 63 -2.210 -22.790 25.602 1.00 35.44 O ATOM 970 CB THR A 63 -1.600 -22.279 28.581 1.00 13.53 C ATOM 971 OG1 THR A 63 -1.865 -23.686 28.542 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.761 -21.768 30.005 1.00 60.11 C ATOM 0 H THR A 63 -4.064 -22.980 27.512 1.00 11.33 H new ATOM 0 HA THR A 63 -2.546 -20.476 27.869 1.00 11.40 H new ATOM 0 HB THR A 63 -0.576 -22.093 28.259 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.949 -23.977 27.610 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.081 -22.307 30.664 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.530 -20.703 30.038 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.788 -21.927 30.335 1.00 60.11 H new ATOM 980 N VAL A 64 -1.451 -20.673 25.639 1.00 54.51 N ATOM 981 CA VAL A 64 -0.930 -20.719 24.279 1.00 53.21 C ATOM 982 C VAL A 64 0.230 -19.747 24.100 1.00 13.32 C ATOM 983 O VAL A 64 0.354 -18.768 24.838 1.00 10.04 O ATOM 984 CB VAL A 64 -2.024 -20.391 23.246 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.985 -21.560 23.097 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.769 -19.125 23.645 1.00 14.45 C ATOM 0 H VAL A 64 -1.313 -19.780 26.113 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.576 -21.736 24.112 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.549 -20.217 22.281 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.751 -21.310 22.363 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.437 -22.441 22.764 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.457 -21.768 24.057 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.539 -18.907 22.905 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.234 -19.269 24.620 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.069 -18.291 23.696 1.00 14.45 H new ATOM 996 N LYS A 65 1.079 -20.020 23.115 1.00 23.50 N ATOM 997 CA LYS A 65 2.229 -19.168 22.838 1.00 33.44 C ATOM 998 C LYS A 65 1.817 -17.946 22.021 1.00 51.13 C ATOM 999 O LYS A 65 0.824 -17.980 21.295 1.00 14.12 O ATOM 1000 CB LYS A 65 3.305 -19.957 22.087 1.00 53.40 C ATOM 1001 CG LYS A 65 4.135 -20.857 22.985 1.00 44.43 C ATOM 1002 CD LYS A 65 3.534 -22.249 23.088 1.00 43.14 C ATOM 1003 CE LYS A 65 4.019 -23.152 21.964 1.00 1.42 C ATOM 1004 NZ LYS A 65 3.153 -23.051 20.758 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.992 -20.825 22.495 1.00 23.50 H new ATOM 0 HA LYS A 65 2.635 -18.827 23.790 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.828 -20.565 21.318 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.967 -19.258 21.576 1.00 53.40 H new ATOM 0 HG2 LYS A 65 5.150 -20.926 22.594 1.00 44.43 H new ATOM 0 HG3 LYS A 65 4.205 -20.416 23.979 1.00 44.43 H new ATOM 0 HD2 LYS A 65 3.798 -22.690 24.049 1.00 43.14 H new ATOM 0 HD3 LYS A 65 2.447 -22.180 23.057 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.042 -22.885 21.700 1.00 1.42 H new ATOM 0 HE3 LYS A 65 4.039 -24.185 22.311 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 3.201 -23.940 20.221 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 2.170 -22.875 21.050 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 3.482 -22.267 20.159 1.00 70.32 H new ATOM 1018 N ALA A 66 2.587 -16.870 22.145 1.00 25.33 N ATOM 1019 CA ALA A 66 2.304 -15.640 21.416 1.00 72.41 C ATOM 1020 C ALA A 66 2.424 -15.855 19.910 1.00 62.14 C ATOM 1021 O ALA A 66 3.525 -15.997 19.380 1.00 13.22 O ATOM 1022 CB ALA A 66 3.241 -14.530 21.869 1.00 71.52 C ATOM 0 H ALA A 66 3.412 -16.825 22.744 1.00 25.33 H new ATOM 0 HA ALA A 66 1.278 -15.345 21.634 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.018 -13.617 21.316 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.104 -14.351 22.935 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.273 -14.826 21.680 1.00 71.52 H new ATOM 1028 N ALA A 67 1.283 -15.877 19.228 1.00 60.43 N ATOM 1029 CA ALA A 67 1.262 -16.072 17.784 1.00 33.34 C ATOM 1030 C ALA A 67 0.392 -15.023 17.101 1.00 63.13 C ATOM 1031 O ALA A 67 -0.468 -14.408 17.733 1.00 55.04 O ATOM 1032 CB ALA A 67 0.765 -17.471 17.447 1.00 32.31 C ATOM 0 H ALA A 67 0.363 -15.762 19.652 1.00 60.43 H new ATOM 0 HA ALA A 67 2.281 -15.960 17.413 1.00 33.34 H new ATOM 0 HB1 ALA A 67 0.755 -17.603 16.365 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.428 -18.211 17.896 1.00 32.31 H new ATOM 0 HB3 ALA A 67 -0.244 -17.603 17.838 1.00 32.31 H new ATOM 1038 N ALA A 68 0.620 -14.822 15.807 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.144 -13.847 15.039 1.00 73.13 C ATOM 1040 C ALA A 68 -1.643 -14.090 15.179 1.00 2.42 C ATOM 1041 O ALA A 68 -2.392 -13.196 15.574 1.00 53.41 O ATOM 1042 CB ALA A 68 0.265 -13.891 13.574 1.00 13.31 C ATOM 0 H ALA A 68 1.328 -15.322 15.269 1.00 60.23 H new ATOM 0 HA ALA A 68 0.076 -12.856 15.437 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.314 -13.158 13.012 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.327 -13.660 13.486 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.075 -14.887 13.173 1.00 13.31 H new ATOM 1048 N ILE A 69 -2.073 -15.304 14.853 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.483 -15.664 14.942 1.00 43.13 C ATOM 1050 C ILE A 69 -3.677 -16.917 15.789 1.00 23.51 C ATOM 1051 O ILE A 69 -2.994 -17.923 15.595 1.00 14.30 O ATOM 1052 CB ILE A 69 -4.094 -15.900 13.549 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.881 -14.673 12.660 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.576 -16.223 13.668 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.338 -14.874 11.232 1.00 23.11 C ATOM 0 H ILE A 69 -1.466 -16.055 14.525 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.993 -14.825 15.415 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.592 -16.751 13.088 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.417 -13.826 13.089 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.822 -14.413 12.661 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.994 -16.387 12.675 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.705 -17.123 14.269 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -6.093 -15.390 14.146 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.156 -13.964 10.660 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.784 -15.700 10.785 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.403 -15.104 11.220 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.615 -16.851 16.728 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.902 -17.981 17.604 1.00 74.42 C ATOM 1069 C VAL A 70 -6.395 -18.084 17.898 1.00 52.51 C ATOM 1070 O VAL A 70 -7.007 -17.137 18.391 1.00 11.54 O ATOM 1071 CB VAL A 70 -4.134 -17.870 18.934 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.307 -19.137 19.759 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -2.661 -17.589 18.678 1.00 74.33 C ATOM 0 H VAL A 70 -5.190 -16.026 16.902 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.576 -18.879 17.079 1.00 74.42 H new ATOM 0 HB VAL A 70 -4.546 -17.036 19.502 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.757 -19.040 20.695 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -5.365 -19.290 19.974 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -3.923 -19.990 19.200 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.134 -17.514 19.629 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -2.233 -18.400 18.089 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -2.559 -16.651 18.132 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.975 -19.240 17.592 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.397 -19.466 17.824 1.00 11.52 C ATOM 1085 C ASN A 71 -8.612 -20.634 18.782 1.00 55.40 C ATOM 1086 O ASN A 71 -8.380 -21.790 18.431 1.00 31.34 O ATOM 1087 CB ASN A 71 -9.113 -19.739 16.500 1.00 53.52 C ATOM 1088 CG ASN A 71 -9.191 -18.506 15.621 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -8.834 -18.548 14.443 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.660 -17.403 16.190 1.00 50.40 N ATOM 0 H ASN A 71 -6.483 -20.034 17.183 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.814 -18.566 18.276 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.591 -20.532 15.964 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -10.121 -20.102 16.703 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.737 -16.542 15.648 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.944 -17.416 17.170 1.00 50.40 H new ATOM 1097 N VAL A 72 -9.058 -20.323 19.995 1.00 51.53 N ATOM 1098 CA VAL A 72 -9.308 -21.345 21.004 1.00 24.20 C ATOM 1099 C VAL A 72 -10.732 -21.255 21.537 1.00 31.43 C ATOM 1100 O VAL A 72 -11.316 -20.172 21.600 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.322 -21.224 22.182 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.493 -22.389 23.143 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.891 -21.148 21.672 1.00 24.11 C ATOM 0 H VAL A 72 -9.254 -19.370 20.303 1.00 51.53 H new ATOM 0 HA VAL A 72 -9.166 -22.310 20.518 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.540 -20.303 22.723 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.788 -22.286 23.968 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.511 -22.392 23.533 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -8.303 -23.325 22.618 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.208 -21.063 22.517 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.658 -22.050 21.106 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.781 -20.276 21.027 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.289 -22.399 21.922 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.646 -22.451 22.452 1.00 72.02 C ATOM 1115 C LEU A 73 -12.633 -22.614 23.968 1.00 3.23 C ATOM 1116 O LEU A 73 -11.771 -23.296 24.523 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.422 -23.603 21.809 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.498 -23.591 20.283 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.339 -24.372 19.684 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.827 -24.163 19.811 1.00 64.32 C ATOM 0 H LEU A 73 -10.820 -23.304 21.876 1.00 10.54 H new ATOM 0 HA LEU A 73 -13.140 -21.510 22.211 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.966 -24.542 22.123 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -14.438 -23.595 22.204 1.00 3.23 H new ATOM 0 HG LEU A 73 -13.427 -22.558 19.944 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.410 -24.352 18.597 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -11.397 -23.920 19.994 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.378 -25.404 20.031 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.864 -24.147 18.722 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.926 -25.190 20.162 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -15.644 -23.562 20.211 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.596 -21.984 24.633 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.697 -22.060 26.086 1.00 22.25 C ATOM 1134 C LEU A 74 -14.546 -23.255 26.511 1.00 10.24 C ATOM 1135 O LEU A 74 -15.727 -23.340 26.177 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.300 -20.770 26.643 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.486 -20.063 27.727 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.075 -19.777 27.234 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.173 -18.776 28.157 1.00 34.41 C ATOM 0 H LEU A 74 -14.317 -21.415 24.189 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.692 -22.189 26.489 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.448 -20.075 25.816 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.286 -20.998 27.048 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.420 -20.722 28.592 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.510 -19.274 28.019 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.582 -20.715 26.977 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.120 -19.138 26.352 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.579 -18.287 28.929 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.271 -18.111 27.299 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.162 -19.006 28.552 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.934 -24.176 27.249 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.634 -25.366 27.720 1.00 73.42 C ATOM 1153 C GLU A 75 -15.087 -25.194 29.167 1.00 44.11 C ATOM 1154 O GLU A 75 -14.297 -24.820 30.034 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.734 -26.596 27.598 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.339 -26.389 28.165 1.00 21.34 C ATOM 1157 CD GLU A 75 -11.883 -27.547 29.031 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -12.699 -28.041 29.838 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -10.712 -27.960 28.902 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.956 -24.121 27.533 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.516 -25.508 27.096 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -14.206 -27.433 28.113 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.652 -26.873 26.547 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -11.634 -26.254 27.345 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.323 -25.472 28.754 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.362 -25.470 29.419 1.00 14.42 N ATOM 1167 CA GLU A 76 -16.920 -25.343 30.760 1.00 55.40 C ATOM 1168 C GLU A 76 -16.021 -26.024 31.789 1.00 52.44 C ATOM 1169 O GLU A 76 -15.367 -27.025 31.493 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.324 -25.951 30.813 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.497 -27.161 29.911 1.00 75.12 C ATOM 1172 CD GLU A 76 -17.376 -28.171 30.067 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -17.334 -28.855 31.111 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -16.541 -28.277 29.145 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.028 -25.783 28.713 1.00 14.42 H new ATOM 0 HA GLU A 76 -16.982 -24.282 31.001 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.548 -26.239 31.840 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.051 -25.190 30.530 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -19.449 -27.643 30.135 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.543 -26.832 28.873 1.00 75.12 H new ATOM 1181 N ASP A 77 -15.993 -25.473 32.998 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.175 -26.026 34.071 1.00 14.13 C ATOM 1183 C ASP A 77 -16.051 -26.622 35.170 1.00 2.45 C ATOM 1184 O ASP A 77 -16.858 -25.923 35.782 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.266 -24.945 34.657 1.00 0.41 C ATOM 1186 CG ASP A 77 -13.257 -25.507 35.639 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.337 -26.714 35.946 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -12.388 -24.739 36.102 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.527 -24.644 33.259 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.558 -26.821 33.652 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -13.739 -24.440 33.848 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -14.876 -24.193 35.158 1.00 0.41 H new