USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=21 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 31 THR OG1 : rot 69:sc= 0.757 USER MOD Set 1.2: A 32 ASN : amide:sc= 0.185 K(o=0.94,f=-2.4) USER MOD Set 2.1: A 12 SER OG : rot -113:sc= 0.637 USER MOD Set 2.2: A 14 THR OG1 : rot -135:sc= 2.38 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= -0.659! USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= 0.721 F(o=0.21,f=1.2) USER MOD Set 3.2: A 71 ASN :FLIP amide:sc= 0.51 F(o=-0.77,f=1.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 27 THR OG1 : rot 160:sc= -0.686 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 36 THR OG1 : rot 151:sc= 2.12 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.217 F(o=-0.97,f=-0.22) 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 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 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 71:sc= 1.34 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -4.539 -12.684 18.120 1.00 4.54 N ATOM 164 CA GLY A 8 -5.157 -13.624 19.037 1.00 1.12 C ATOM 165 C GLY A 8 -6.671 -13.556 19.005 1.00 12.44 C ATOM 166 O GLY A 8 -7.245 -12.531 18.639 1.00 42.34 O ATOM 0 HA2 GLY A 8 -4.837 -14.635 18.786 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.809 -13.421 20.050 1.00 1.12 H new ATOM 170 N ASN A 9 -7.319 -14.651 19.388 1.00 51.20 N ATOM 171 CA ASN A 9 -8.776 -14.712 19.400 1.00 63.11 C ATOM 172 C ASN A 9 -9.268 -15.801 20.348 1.00 4.24 C ATOM 173 O ASN A 9 -8.919 -16.972 20.199 1.00 20.25 O ATOM 174 CB ASN A 9 -9.308 -14.969 17.989 1.00 62.31 C ATOM 175 CG ASN A 9 -10.790 -15.290 17.978 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.588 -14.414 18.577 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -11.211 -16.313 17.439 1.00 54.03 N flip ATOM 0 H ASN A 9 -6.858 -15.508 19.694 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.152 -13.752 19.753 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.125 -14.091 17.369 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.757 -15.796 17.541 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -10.560 -16.958 16.990 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -12.211 -16.516 17.441 1.00 54.03 H new ATOM 184 N VAL A 10 -10.081 -15.407 21.322 1.00 11.42 N ATOM 185 CA VAL A 10 -10.623 -16.350 22.294 1.00 24.54 C ATOM 186 C VAL A 10 -12.135 -16.476 22.153 1.00 65.31 C ATOM 187 O VAL A 10 -12.856 -15.477 22.139 1.00 73.33 O ATOM 188 CB VAL A 10 -10.287 -15.925 23.736 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.689 -17.012 24.720 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.807 -15.599 23.864 1.00 42.41 C ATOM 0 H VAL A 10 -10.379 -14.441 21.460 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.160 -17.316 22.090 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.855 -15.026 23.973 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.444 -16.694 25.733 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.761 -17.192 24.645 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.150 -17.931 24.488 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.587 -15.301 24.889 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.217 -16.479 23.608 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.554 -14.783 23.187 1.00 42.41 H new ATOM 200 N THR A 11 -12.613 -17.713 22.048 1.00 10.10 N ATOM 201 CA THR A 11 -14.040 -17.971 21.907 1.00 34.03 C ATOM 202 C THR A 11 -14.482 -19.126 22.799 1.00 20.04 C ATOM 203 O THR A 11 -13.693 -20.019 23.110 1.00 73.43 O ATOM 204 CB THR A 11 -14.412 -18.295 20.447 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.308 -18.930 19.791 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.798 -17.032 19.693 1.00 3.03 C ATOM 0 H THR A 11 -12.032 -18.551 22.058 1.00 10.10 H new ATOM 0 HA THR A 11 -14.556 -17.061 22.213 1.00 34.03 H new ATOM 0 HB THR A 11 -15.268 -18.970 20.454 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.552 -19.135 18.864 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.056 -17.287 18.665 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.656 -16.566 20.178 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.959 -16.336 19.695 1.00 3.03 H new ATOM 214 N SER A 12 -15.746 -19.102 23.208 1.00 72.20 N ATOM 215 CA SER A 12 -16.290 -20.146 24.068 1.00 63.13 C ATOM 216 C SER A 12 -16.696 -21.368 23.250 1.00 64.31 C ATOM 217 O SER A 12 -17.095 -21.250 22.091 1.00 41.10 O ATOM 218 CB SER A 12 -17.496 -19.617 24.847 1.00 31.13 C ATOM 219 OG SER A 12 -17.546 -20.174 26.150 1.00 24.24 O ATOM 0 H SER A 12 -16.412 -18.371 22.958 1.00 72.20 H new ATOM 0 HA SER A 12 -15.513 -20.444 24.772 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.441 -18.530 24.914 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.414 -19.857 24.310 1.00 31.13 H new ATOM 0 HG SER A 12 -18.329 -20.759 26.226 1.00 24.24 H new ATOM 225 N LYS A 13 -16.590 -22.543 23.861 1.00 44.22 N ATOM 226 CA LYS A 13 -16.945 -23.788 23.191 1.00 60.22 C ATOM 227 C LYS A 13 -18.383 -24.185 23.507 1.00 54.30 C ATOM 228 O LYS A 13 -18.757 -25.352 23.392 1.00 2.34 O ATOM 229 CB LYS A 13 -15.992 -24.909 23.613 1.00 51.22 C ATOM 230 CG LYS A 13 -15.595 -25.832 22.474 1.00 2.31 C ATOM 231 CD LYS A 13 -15.918 -27.282 22.792 1.00 13.33 C ATOM 232 CE LYS A 13 -14.904 -28.229 22.169 1.00 53.45 C ATOM 233 NZ LYS A 13 -15.386 -29.637 22.172 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.261 -22.659 24.819 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.857 -23.630 22.116 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.092 -24.467 24.042 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.464 -25.498 24.399 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.116 -25.533 21.564 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.528 -25.731 22.278 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.934 -27.424 23.873 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.916 -27.523 22.425 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -14.698 -27.918 21.145 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -13.964 -28.166 22.717 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -14.667 -30.251 21.739 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.559 -29.943 23.151 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.270 -29.703 21.628 1.00 51.21 H new ATOM 247 N THR A 14 -19.189 -23.205 23.908 1.00 41.41 N ATOM 248 CA THR A 14 -20.586 -23.452 24.240 1.00 75.14 C ATOM 249 C THR A 14 -21.490 -23.198 23.040 1.00 53.42 C ATOM 250 O THR A 14 -22.211 -24.091 22.594 1.00 1.11 O ATOM 251 CB THR A 14 -21.049 -22.567 25.413 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.013 -21.642 25.768 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.412 -23.416 26.622 1.00 0.42 C ATOM 0 H THR A 14 -18.897 -22.233 24.010 1.00 41.41 H new ATOM 0 HA THR A 14 -20.661 -24.499 24.532 1.00 75.14 H new ATOM 0 HB THR A 14 -21.935 -22.017 25.096 1.00 22.31 H new ATOM 0 HG1 THR A 14 -19.913 -21.621 26.743 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.736 -22.769 27.437 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.220 -24.099 26.358 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.541 -23.990 26.938 1.00 0.42 H new ATOM 261 N ASP A 15 -21.447 -21.977 22.520 1.00 13.30 N ATOM 262 CA ASP A 15 -22.262 -21.606 21.369 1.00 3.24 C ATOM 263 C ASP A 15 -21.384 -21.184 20.194 1.00 54.23 C ATOM 264 O ASP A 15 -21.785 -21.288 19.037 1.00 30.21 O ATOM 265 CB ASP A 15 -23.220 -20.472 21.738 1.00 34.54 C ATOM 266 CG ASP A 15 -24.345 -20.937 22.641 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.677 -20.209 23.601 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.896 -22.028 22.388 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.856 -21.226 22.877 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.843 -22.479 21.071 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.664 -19.677 22.235 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.641 -20.045 20.828 1.00 34.54 H new ATOM 273 N GLY A 16 -20.182 -20.706 20.503 1.00 45.50 N ATOM 274 CA GLY A 16 -19.266 -20.274 19.463 1.00 13.14 C ATOM 275 C GLY A 16 -19.154 -18.765 19.379 1.00 50.04 C ATOM 276 O GLY A 16 -18.893 -18.215 18.309 1.00 53.34 O ATOM 0 H GLY A 16 -19.827 -20.610 21.454 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.280 -20.698 19.652 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.602 -20.664 18.502 1.00 13.14 H new ATOM 280 N GLN A 17 -19.354 -18.095 20.509 1.00 15.14 N ATOM 281 CA GLN A 17 -19.277 -16.639 20.558 1.00 71.43 C ATOM 282 C GLN A 17 -17.940 -16.184 21.136 1.00 32.32 C ATOM 283 O GLN A 17 -17.239 -16.939 21.810 1.00 12.20 O ATOM 284 CB GLN A 17 -20.427 -16.073 21.392 1.00 54.31 C ATOM 285 CG GLN A 17 -21.642 -15.684 20.568 1.00 63.40 C ATOM 286 CD GLN A 17 -22.727 -15.031 21.401 1.00 73.24 C ATOM 287 OE1 GLN A 17 -23.271 -15.641 22.322 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.050 -13.783 21.082 1.00 74.15 N ATOM 0 H GLN A 17 -19.570 -18.536 21.403 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.359 -16.262 19.539 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.724 -16.813 22.135 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.073 -15.198 21.937 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.336 -15.000 19.777 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.047 -16.572 20.083 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.574 -13.314 20.311 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.774 -13.293 21.608 1.00 74.15 H new ATOM 297 N PRO A 18 -17.578 -14.921 20.868 1.00 51.11 N ATOM 298 CA PRO A 18 -16.324 -14.337 21.353 1.00 61.23 C ATOM 299 C PRO A 18 -16.332 -14.119 22.862 1.00 5.35 C ATOM 300 O PRO A 18 -17.368 -13.800 23.447 1.00 41.13 O ATOM 301 CB PRO A 18 -16.249 -12.997 20.618 1.00 11.54 C ATOM 302 CG PRO A 18 -17.667 -12.655 20.309 1.00 0.34 C ATOM 303 CD PRO A 18 -18.365 -13.965 20.071 1.00 14.12 C ATOM 0 HA PRO A 18 -15.471 -14.989 21.165 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.783 -12.231 21.238 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.654 -13.077 19.708 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.127 -12.112 21.135 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.731 -12.013 19.430 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.405 -13.931 20.396 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.370 -14.231 19.014 1.00 14.12 H new ATOM 311 N ILE A 19 -15.171 -14.290 23.485 1.00 51.31 N ATOM 312 CA ILE A 19 -15.045 -14.109 24.926 1.00 72.32 C ATOM 313 C ILE A 19 -14.857 -12.638 25.282 1.00 61.13 C ATOM 314 O ILE A 19 -13.854 -12.025 24.917 1.00 31.30 O ATOM 315 CB ILE A 19 -13.864 -14.918 25.494 1.00 71.32 C ATOM 316 CG1 ILE A 19 -13.995 -16.392 25.107 1.00 63.22 C ATOM 317 CG2 ILE A 19 -13.797 -14.766 27.007 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.288 -17.027 25.569 1.00 75.31 C ATOM 0 H ILE A 19 -14.305 -14.553 23.015 1.00 51.31 H new ATOM 0 HA ILE A 19 -15.971 -14.472 25.371 1.00 72.32 H new ATOM 0 HB ILE A 19 -12.939 -14.531 25.068 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -13.923 -16.482 24.023 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.157 -16.946 25.530 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -12.957 -15.343 27.394 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.662 -13.715 27.261 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.723 -15.131 27.451 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.311 -18.072 25.259 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.354 -16.969 26.655 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.132 -16.498 25.126 1.00 75.31 H new ATOM 330 N ILE A 20 -15.827 -12.080 25.997 1.00 0.14 N ATOM 331 CA ILE A 20 -15.766 -10.681 26.405 1.00 33.25 C ATOM 332 C ILE A 20 -15.421 -10.553 27.884 1.00 4.43 C ATOM 333 O ILE A 20 -16.206 -10.936 28.751 1.00 31.01 O ATOM 334 CB ILE A 20 -17.100 -9.958 26.136 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.583 -10.243 24.713 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.945 -8.461 26.359 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.896 -9.573 24.375 1.00 42.20 C ATOM 0 H ILE A 20 -16.664 -12.574 26.306 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.981 -10.213 25.810 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.847 -10.335 26.834 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.822 -9.911 24.006 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.690 -11.320 24.583 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.895 -7.964 26.165 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.642 -8.276 27.390 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -16.186 -8.069 25.682 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.177 -9.819 23.351 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.670 -9.924 25.058 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.789 -8.493 24.472 1.00 42.20 H new ATOM 349 N GLY A 21 -14.241 -10.011 28.166 1.00 4.13 N ATOM 350 CA GLY A 21 -13.812 -9.841 29.542 1.00 62.52 C ATOM 351 C GLY A 21 -12.918 -10.971 30.015 1.00 10.52 C ATOM 352 O GLY A 21 -12.941 -11.340 31.189 1.00 13.11 O ATOM 0 H GLY A 21 -13.574 -9.686 27.466 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.279 -8.895 29.639 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.688 -9.781 30.188 1.00 62.52 H new ATOM 356 N ALA A 22 -12.130 -11.522 29.099 1.00 14.24 N ATOM 357 CA ALA A 22 -11.224 -12.617 29.428 1.00 24.05 C ATOM 358 C ALA A 22 -9.855 -12.090 29.840 1.00 13.45 C ATOM 359 O ALA A 22 -9.246 -11.291 29.129 1.00 23.13 O ATOM 360 CB ALA A 22 -11.093 -13.567 28.247 1.00 63.11 C ATOM 0 H ALA A 22 -12.100 -11.229 28.123 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.644 -13.162 30.273 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.414 -14.379 28.507 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -12.072 -13.978 28.000 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.699 -13.026 27.387 1.00 63.11 H new ATOM 366 N SER A 23 -9.374 -12.543 30.995 1.00 20.43 N ATOM 367 CA SER A 23 -8.078 -12.113 31.504 1.00 45.41 C ATOM 368 C SER A 23 -6.948 -12.895 30.842 1.00 32.33 C ATOM 369 O SER A 23 -6.743 -14.075 31.129 1.00 40.44 O ATOM 370 CB SER A 23 -8.017 -12.293 33.023 1.00 52.44 C ATOM 371 OG SER A 23 -9.010 -11.517 33.669 1.00 21.24 O ATOM 0 H SER A 23 -9.863 -13.207 31.595 1.00 20.43 H new ATOM 0 HA SER A 23 -7.954 -11.057 31.265 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.153 -13.345 33.273 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.031 -12.004 33.387 1.00 52.44 H new ATOM 0 HG SER A 23 -8.951 -11.651 34.638 1.00 21.24 H new ATOM 377 N VAL A 24 -6.216 -12.228 29.955 1.00 70.10 N ATOM 378 CA VAL A 24 -5.105 -12.860 29.252 1.00 11.40 C ATOM 379 C VAL A 24 -3.793 -12.137 29.537 1.00 21.15 C ATOM 380 O VAL A 24 -3.665 -10.938 29.292 1.00 75.44 O ATOM 381 CB VAL A 24 -5.345 -12.883 27.731 1.00 12.12 C ATOM 382 CG1 VAL A 24 -5.714 -11.496 27.226 1.00 65.33 C ATOM 383 CG2 VAL A 24 -4.116 -13.413 27.006 1.00 64.12 C ATOM 0 H VAL A 24 -6.372 -11.251 29.706 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.039 -13.885 29.618 1.00 11.40 H new ATOM 0 HB VAL A 24 -6.180 -13.553 27.523 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -5.880 -11.533 26.149 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -6.624 -11.159 27.722 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -4.903 -10.801 27.445 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -4.303 -13.423 25.932 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -3.262 -12.770 27.220 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -3.902 -14.426 27.346 1.00 64.12 H new ATOM 393 N VAL A 25 -2.818 -12.877 30.057 1.00 54.40 N ATOM 394 CA VAL A 25 -1.514 -12.308 30.374 1.00 74.22 C ATOM 395 C VAL A 25 -0.386 -13.208 29.879 1.00 74.52 C ATOM 396 O VAL A 25 -0.629 -14.310 29.390 1.00 52.34 O ATOM 397 CB VAL A 25 -1.351 -12.088 31.890 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.499 -11.250 32.434 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.264 -13.422 32.615 1.00 31.03 C ATOM 0 H VAL A 25 -2.907 -13.871 30.267 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.457 -11.345 29.866 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.422 -11.545 32.063 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.367 -11.105 33.506 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.510 -10.281 31.935 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.443 -11.763 32.251 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.149 -13.248 33.685 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.175 -13.993 32.436 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.406 -13.982 32.244 1.00 31.03 H new ATOM 409 N GLU A 26 0.846 -12.728 30.010 1.00 60.03 N ATOM 410 CA GLU A 26 2.011 -13.489 29.575 1.00 2.03 C ATOM 411 C GLU A 26 2.558 -14.346 30.713 1.00 74.12 C ATOM 412 O GLU A 26 2.198 -14.158 31.876 1.00 32.34 O ATOM 413 CB GLU A 26 3.102 -12.547 29.062 1.00 54.12 C ATOM 414 CG GLU A 26 2.846 -12.025 27.657 1.00 11.04 C ATOM 415 CD GLU A 26 1.763 -10.965 27.618 1.00 42.11 C ATOM 416 OE1 GLU A 26 1.171 -10.762 26.536 1.00 1.54 O ATOM 417 OE2 GLU A 26 1.506 -10.338 28.667 1.00 73.20 O1- ATOM 0 H GLU A 26 1.063 -11.817 30.413 1.00 60.03 H new ATOM 0 HA GLU A 26 1.699 -14.148 28.764 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.190 -11.701 29.744 1.00 54.12 H new ATOM 0 HB3 GLU A 26 4.058 -13.070 29.077 1.00 54.12 H new ATOM 0 HG2 GLU A 26 3.770 -11.611 27.253 1.00 11.04 H new ATOM 0 HG3 GLU A 26 2.560 -12.855 27.011 1.00 11.04 H new ATOM 424 N THR A 27 3.430 -15.289 30.370 1.00 32.44 N ATOM 425 CA THR A 27 4.026 -16.176 31.362 1.00 21.42 C ATOM 426 C THR A 27 4.915 -15.402 32.328 1.00 43.23 C ATOM 427 O THR A 27 4.896 -15.643 33.536 1.00 52.43 O ATOM 428 CB THR A 27 4.858 -17.287 30.694 1.00 43.33 C ATOM 429 OG1 THR A 27 5.677 -16.731 29.659 1.00 43.23 O ATOM 430 CG2 THR A 27 3.955 -18.362 30.110 1.00 11.11 C ATOM 0 H THR A 27 3.739 -15.458 29.413 1.00 32.44 H new ATOM 0 HA THR A 27 3.204 -16.630 31.914 1.00 21.42 H new ATOM 0 HB THR A 27 5.493 -17.742 31.454 1.00 43.33 H new ATOM 0 HG1 THR A 27 6.415 -17.344 29.461 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.565 -19.136 29.644 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.354 -18.804 30.905 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.298 -17.918 29.362 1.00 11.11 H new ATOM 438 N THR A 28 5.695 -14.469 31.790 1.00 30.42 N ATOM 439 CA THR A 28 6.593 -13.660 32.605 1.00 4.41 C ATOM 440 C THR A 28 6.148 -12.202 32.629 1.00 13.12 C ATOM 441 O THR A 28 6.497 -11.453 33.541 1.00 64.00 O ATOM 442 CB THR A 28 8.042 -13.735 32.088 1.00 64.03 C ATOM 443 OG1 THR A 28 8.082 -13.404 30.695 1.00 63.55 O ATOM 444 CG2 THR A 28 8.622 -15.125 32.301 1.00 20.21 C ATOM 0 H THR A 28 5.723 -14.255 30.793 1.00 30.42 H new ATOM 0 HA THR A 28 6.555 -14.066 33.616 1.00 4.41 H new ATOM 0 HB THR A 28 8.642 -13.019 32.649 1.00 64.03 H new ATOM 0 HG1 THR A 28 9.007 -13.452 30.374 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.646 -15.153 31.928 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.617 -15.362 33.365 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.020 -15.857 31.763 1.00 20.21 H new ATOM 452 N ALA A 29 5.377 -11.806 31.622 1.00 21.15 N ATOM 453 CA ALA A 29 4.882 -10.438 31.531 1.00 63.21 C ATOM 454 C ALA A 29 3.430 -10.349 31.985 1.00 61.33 C ATOM 455 O ALA A 29 2.537 -10.047 31.191 1.00 2.51 O ATOM 456 CB ALA A 29 5.025 -9.920 30.108 1.00 62.41 C ATOM 0 H ALA A 29 5.082 -12.413 30.858 1.00 21.15 H new ATOM 0 HA ALA A 29 5.481 -9.815 32.195 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.652 -8.897 30.054 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.076 -9.939 29.818 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.450 -10.552 29.431 1.00 62.41 H new ATOM 462 N THR A 30 3.198 -10.611 33.267 1.00 64.05 N ATOM 463 CA THR A 30 1.852 -10.562 33.826 1.00 52.03 C ATOM 464 C THR A 30 1.408 -9.122 34.063 1.00 44.32 C ATOM 465 O THR A 30 0.236 -8.787 33.893 1.00 33.44 O ATOM 466 CB THR A 30 1.767 -11.338 35.155 1.00 73.01 C ATOM 467 OG1 THR A 30 2.157 -12.700 34.951 1.00 1.52 O ATOM 468 CG2 THR A 30 0.356 -11.288 35.721 1.00 41.22 C ATOM 0 H THR A 30 3.925 -10.859 33.938 1.00 64.05 H new ATOM 0 HA THR A 30 1.190 -11.029 33.097 1.00 52.03 H new ATOM 0 HB THR A 30 2.444 -10.869 35.869 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.102 -13.187 35.800 1.00 1.52 H new ATOM 0 HG21 THR A 30 0.320 -11.842 36.659 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.073 -10.251 35.901 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.338 -11.735 35.009 1.00 41.22 H new ATOM 476 N THR A 31 2.352 -8.274 34.457 1.00 20.21 N ATOM 477 CA THR A 31 2.059 -6.871 34.717 1.00 74.23 C ATOM 478 C THR A 31 1.448 -6.200 33.492 1.00 5.21 C ATOM 479 O THR A 31 0.634 -5.286 33.614 1.00 44.33 O ATOM 480 CB THR A 31 3.325 -6.098 35.133 1.00 70.21 C ATOM 481 OG1 THR A 31 4.196 -5.942 34.006 1.00 65.04 O ATOM 482 CG2 THR A 31 4.059 -6.824 36.251 1.00 32.33 C ATOM 0 H THR A 31 3.327 -8.535 34.603 1.00 20.21 H new ATOM 0 HA THR A 31 1.342 -6.846 35.538 1.00 74.23 H new ATOM 0 HB THR A 31 3.022 -5.116 35.496 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.792 -5.323 33.363 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.949 -6.260 36.528 1.00 32.33 H new ATOM 0 HG22 THR A 31 3.403 -6.916 37.117 1.00 32.33 H new ATOM 0 HG23 THR A 31 4.351 -7.817 35.910 1.00 32.33 H new ATOM 490 N ASN A 32 1.846 -6.662 32.311 1.00 33.34 N ATOM 491 CA ASN A 32 1.336 -6.106 31.063 1.00 52.15 C ATOM 492 C ASN A 32 0.148 -6.914 30.552 1.00 70.20 C ATOM 493 O ASN A 32 -0.072 -7.022 29.346 1.00 25.25 O ATOM 494 CB ASN A 32 2.441 -6.078 30.004 1.00 21.20 C ATOM 495 CG ASN A 32 3.804 -5.774 30.597 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.921 -4.988 31.537 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.840 -6.398 30.050 1.00 53.21 N ATOM 0 H ASN A 32 2.519 -7.419 32.192 1.00 33.34 H new ATOM 0 HA ASN A 32 1.002 -5.087 31.258 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.476 -7.041 29.494 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.200 -5.327 29.251 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.781 -6.234 30.408 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.695 -7.041 29.272 1.00 53.21 H new ATOM 504 N GLY A 33 -0.618 -7.481 31.479 1.00 61.22 N ATOM 505 CA GLY A 33 -1.775 -8.272 31.104 1.00 53.12 C ATOM 506 C GLY A 33 -2.840 -7.448 30.407 1.00 52.44 C ATOM 507 O GLY A 33 -2.951 -6.242 30.634 1.00 13.13 O ATOM 0 H GLY A 33 -0.458 -7.406 32.484 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.460 -9.083 30.447 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.201 -8.732 31.996 1.00 53.12 H new ATOM 511 N THR A 34 -3.624 -8.098 29.554 1.00 73.43 N ATOM 512 CA THR A 34 -4.683 -7.417 28.818 1.00 24.51 C ATOM 513 C THR A 34 -5.971 -8.232 28.828 1.00 64.20 C ATOM 514 O THR A 34 -5.974 -9.399 29.219 1.00 40.52 O ATOM 515 CB THR A 34 -4.271 -7.149 27.359 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.219 -6.276 26.733 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.176 -8.449 26.575 1.00 1.21 C ATOM 0 H THR A 34 -3.546 -9.095 29.355 1.00 73.43 H new ATOM 0 HA THR A 34 -4.854 -6.465 29.320 1.00 24.51 H new ATOM 0 HB THR A 34 -3.290 -6.674 27.364 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.948 -6.110 25.806 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.883 -8.234 25.547 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.431 -9.098 27.036 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.145 -8.948 26.579 1.00 1.21 H new ATOM 525 N ILE A 35 -7.063 -7.609 28.397 1.00 53.35 N ATOM 526 CA ILE A 35 -8.357 -8.279 28.355 1.00 41.13 C ATOM 527 C ILE A 35 -8.869 -8.397 26.923 1.00 31.20 C ATOM 528 O ILE A 35 -8.336 -7.770 26.007 1.00 21.21 O ATOM 529 CB ILE A 35 -9.405 -7.532 29.203 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.452 -6.054 28.809 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.091 -7.681 30.684 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.805 -5.416 29.023 1.00 62.41 C ATOM 0 H ILE A 35 -7.077 -6.642 28.072 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.210 -9.277 28.769 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.385 -7.971 29.013 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.706 -5.508 29.387 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.175 -5.957 27.759 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.840 -7.148 31.270 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.103 -8.737 30.954 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.105 -7.265 30.891 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.765 -4.369 28.723 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.552 -5.937 28.424 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.075 -5.481 30.077 1.00 62.41 H new ATOM 544 N THR A 36 -9.907 -9.206 26.737 1.00 11.05 N ATOM 545 CA THR A 36 -10.492 -9.407 25.418 1.00 11.35 C ATOM 546 C THR A 36 -11.597 -8.392 25.145 1.00 20.04 C ATOM 547 O THR A 36 -12.264 -7.924 26.069 1.00 42.14 O ATOM 548 CB THR A 36 -11.069 -10.828 25.269 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.907 -11.136 26.388 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.952 -11.856 25.167 1.00 55.34 C ATOM 0 H THR A 36 -10.360 -9.733 27.484 1.00 11.05 H new ATOM 0 HA THR A 36 -9.689 -9.270 24.693 1.00 11.35 H new ATOM 0 HB THR A 36 -11.659 -10.863 24.353 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.603 -11.768 26.111 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.383 -12.852 25.063 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.333 -11.635 24.298 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.339 -11.818 26.068 1.00 55.34 H new ATOM 558 N ASP A 37 -11.785 -8.056 23.874 1.00 12.13 N ATOM 559 CA ASP A 37 -12.811 -7.098 23.480 1.00 12.53 C ATOM 560 C ASP A 37 -14.094 -7.813 23.067 1.00 15.53 C ATOM 561 O ASP A 37 -14.174 -9.040 23.114 1.00 0.31 O ATOM 562 CB ASP A 37 -12.307 -6.224 22.330 1.00 5.44 C ATOM 563 CG ASP A 37 -11.455 -5.066 22.812 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.422 -4.782 22.170 1.00 11.40 O ATOM 565 OD2 ASP A 37 -11.821 -4.445 23.831 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.240 -8.433 23.099 1.00 12.13 H new ATOM 0 HA ASP A 37 -13.031 -6.465 24.339 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.726 -6.836 21.640 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -13.159 -5.836 21.772 1.00 5.44 H new ATOM 570 N PHE A 38 -15.094 -7.036 22.666 1.00 33.31 N ATOM 571 CA PHE A 38 -16.375 -7.596 22.247 1.00 53.25 C ATOM 572 C PHE A 38 -16.189 -8.574 21.091 1.00 61.41 C ATOM 573 O PHE A 38 -16.950 -9.531 20.946 1.00 72.12 O ATOM 574 CB PHE A 38 -17.333 -6.476 21.834 1.00 35.41 C ATOM 575 CG PHE A 38 -17.538 -5.439 22.901 1.00 23.40 C ATOM 576 CD1 PHE A 38 -18.240 -5.745 24.056 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.030 -4.159 22.748 1.00 13.51 C ATOM 578 CE1 PHE A 38 -18.431 -4.791 25.039 1.00 20.23 C ATOM 579 CE2 PHE A 38 -17.219 -3.202 23.728 1.00 23.43 C ATOM 580 CZ PHE A 38 -17.919 -3.519 24.875 1.00 34.05 C ATOM 0 H PHE A 38 -15.043 -6.018 22.622 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.801 -8.137 23.092 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.948 -5.991 20.937 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -18.297 -6.912 21.572 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.642 -6.738 24.190 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -16.480 -3.906 21.853 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -18.980 -5.041 25.935 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -16.819 -2.207 23.596 1.00 23.43 H new ATOM 0 HZ PHE A 38 -18.066 -2.774 25.643 1.00 34.05 H new ATOM 590 N ASP A 39 -15.173 -8.326 20.272 1.00 22.51 N ATOM 591 CA ASP A 39 -14.886 -9.185 19.129 1.00 30.24 C ATOM 592 C ASP A 39 -14.275 -10.507 19.582 1.00 3.40 C ATOM 593 O ASP A 39 -14.284 -11.492 18.845 1.00 20.40 O ATOM 594 CB ASP A 39 -13.941 -8.478 18.157 1.00 73.22 C ATOM 595 CG ASP A 39 -14.677 -7.583 17.180 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.160 -8.099 16.149 1.00 51.04 O ATOM 597 OD2 ASP A 39 -14.771 -6.366 17.444 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.535 -7.538 20.378 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.826 -9.396 18.620 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.224 -7.882 18.721 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.370 -9.223 17.603 1.00 73.22 H new ATOM 602 N GLY A 40 -13.743 -10.520 20.800 1.00 73.03 N ATOM 603 CA GLY A 40 -13.133 -11.727 21.331 1.00 73.43 C ATOM 604 C GLY A 40 -11.642 -11.788 21.064 1.00 75.31 C ATOM 605 O GLY A 40 -11.068 -12.870 20.955 1.00 64.34 O ATOM 0 H GLY A 40 -13.723 -9.717 21.429 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.309 -11.777 22.406 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.614 -12.599 20.888 1.00 73.43 H new ATOM 609 N ASN A 41 -11.013 -10.621 20.957 1.00 12.43 N ATOM 610 CA ASN A 41 -9.580 -10.546 20.700 1.00 23.51 C ATOM 611 C ASN A 41 -8.923 -9.490 21.582 1.00 23.24 C ATOM 612 O ASN A 41 -9.602 -8.661 22.189 1.00 21.02 O ATOM 613 CB ASN A 41 -9.321 -10.228 19.225 1.00 52.24 C ATOM 614 CG ASN A 41 -9.591 -8.773 18.892 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.830 -8.472 18.519 1.00 52.35 O flip ATOM 616 ND2 ASN A 41 -8.698 -7.930 18.970 1.00 22.41 N flip ATOM 0 H ASN A 41 -11.474 -9.715 21.044 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.143 -11.516 20.938 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.286 -10.468 18.980 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.951 -10.863 18.603 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -7.760 -8.206 19.261 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -8.896 -6.955 18.744 1.00 22.41 H new ATOM 623 N PHE A 42 -7.596 -9.525 21.649 1.00 71.21 N ATOM 624 CA PHE A 42 -6.846 -8.570 22.457 1.00 52.03 C ATOM 625 C PHE A 42 -5.548 -8.170 21.762 1.00 31.22 C ATOM 626 O PHE A 42 -5.108 -8.826 20.818 1.00 60.33 O ATOM 627 CB PHE A 42 -6.538 -9.166 23.833 1.00 2.54 C ATOM 628 CG PHE A 42 -5.929 -10.537 23.770 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.554 -10.703 23.810 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.733 -11.663 23.669 1.00 22.24 C ATOM 631 CE1 PHE A 42 -3.990 -11.963 23.752 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.174 -12.926 23.611 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.802 -13.076 23.652 1.00 22.53 C ATOM 0 H PHE A 42 -7.018 -10.204 21.154 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.459 -7.678 22.583 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.859 -8.500 24.365 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.459 -9.213 24.414 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.915 -9.836 23.888 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.807 -11.552 23.635 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -2.917 -12.077 23.785 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.810 -13.795 23.534 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.364 -14.062 23.606 1.00 22.53 H new ATOM 643 N THR A 43 -4.939 -7.087 22.237 1.00 70.14 N ATOM 644 CA THR A 43 -3.694 -6.598 21.661 1.00 1.25 C ATOM 645 C THR A 43 -2.599 -6.503 22.717 1.00 72.34 C ATOM 646 O THR A 43 -2.719 -5.750 23.685 1.00 32.41 O ATOM 647 CB THR A 43 -3.882 -5.214 21.008 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.608 -4.660 20.660 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.613 -4.267 21.948 1.00 0.43 C ATOM 0 H THR A 43 -5.289 -6.533 23.019 1.00 70.14 H new ATOM 0 HA THR A 43 -3.397 -7.316 20.896 1.00 1.25 H new ATOM 0 HB THR A 43 -4.482 -5.340 20.107 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.736 -3.782 20.244 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.734 -3.297 21.466 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.594 -4.678 22.188 1.00 0.43 H new ATOM 0 HG23 THR A 43 -4.036 -4.147 22.865 1.00 0.43 H new ATOM 657 N LEU A 44 -1.531 -7.270 22.528 1.00 30.33 N ATOM 658 CA LEU A 44 -0.414 -7.272 23.465 1.00 30.51 C ATOM 659 C LEU A 44 0.912 -7.449 22.731 1.00 15.23 C ATOM 660 O LEU A 44 1.036 -8.298 21.848 1.00 43.42 O ATOM 661 CB LEU A 44 -0.591 -8.387 24.497 1.00 2.24 C ATOM 662 CG LEU A 44 -0.037 -8.102 25.894 1.00 41.34 C ATOM 663 CD1 LEU A 44 1.471 -7.915 25.842 1.00 14.32 C ATOM 664 CD2 LEU A 44 -0.707 -6.874 26.493 1.00 72.23 C ATOM 0 H LEU A 44 -1.415 -7.899 21.733 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.399 -6.310 23.977 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.655 -8.606 24.587 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.112 -9.288 24.115 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.255 -8.958 26.532 1.00 41.34 H new ATOM 0 HD11 LEU A 44 1.847 -7.713 26.845 1.00 14.32 H new ATOM 0 HD12 LEU A 44 1.937 -8.821 25.455 1.00 14.32 H new ATOM 0 HD13 LEU A 44 1.711 -7.076 25.189 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -0.301 -6.686 27.487 1.00 72.23 H new ATOM 0 HD22 LEU A 44 -0.520 -6.010 25.855 1.00 72.23 H new ATOM 0 HD23 LEU A 44 -1.781 -7.045 26.567 1.00 72.23 H new ATOM 676 N SER A 45 1.901 -6.643 23.105 1.00 73.42 N ATOM 677 CA SER A 45 3.217 -6.709 22.481 1.00 30.11 C ATOM 678 C SER A 45 4.235 -7.341 23.426 1.00 54.45 C ATOM 679 O SER A 45 4.457 -6.853 24.534 1.00 53.14 O ATOM 680 CB SER A 45 3.684 -5.311 22.073 1.00 12.24 C ATOM 681 OG SER A 45 4.546 -5.367 20.950 1.00 52.35 O ATOM 0 H SER A 45 1.816 -5.937 23.837 1.00 73.42 H new ATOM 0 HA SER A 45 3.137 -7.332 21.590 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.819 -4.689 21.841 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.201 -4.839 22.909 1.00 12.24 H new ATOM 0 HG SER A 45 4.828 -4.460 20.709 1.00 52.35 H new ATOM 687 N VAL A 46 4.852 -8.431 22.980 1.00 11.02 N ATOM 688 CA VAL A 46 5.847 -9.130 23.784 1.00 13.10 C ATOM 689 C VAL A 46 7.147 -9.316 23.010 1.00 41.33 C ATOM 690 O VAL A 46 7.153 -9.728 21.849 1.00 34.03 O ATOM 691 CB VAL A 46 5.332 -10.508 24.241 1.00 71.43 C ATOM 692 CG1 VAL A 46 6.376 -11.213 25.093 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.022 -10.361 25.000 1.00 21.52 C ATOM 0 H VAL A 46 4.680 -8.849 22.066 1.00 11.02 H new ATOM 0 HA VAL A 46 6.036 -8.512 24.662 1.00 13.10 H new ATOM 0 HB VAL A 46 5.147 -11.119 23.358 1.00 71.43 H new ATOM 0 HG11 VAL A 46 5.994 -12.185 25.406 1.00 64.43 H new ATOM 0 HG12 VAL A 46 7.287 -11.352 24.511 1.00 64.43 H new ATOM 0 HG13 VAL A 46 6.596 -10.609 25.973 1.00 64.43 H new ATOM 0 HG21 VAL A 46 3.672 -11.344 25.316 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.178 -9.733 25.877 1.00 21.52 H new ATOM 0 HG23 VAL A 46 3.276 -9.901 24.352 1.00 21.52 H new ATOM 703 N PRO A 47 8.275 -9.006 23.664 1.00 12.13 N ATOM 704 CA PRO A 47 9.604 -9.133 23.057 1.00 2.21 C ATOM 705 C PRO A 47 10.009 -10.588 22.847 1.00 41.24 C ATOM 706 O PRO A 47 10.460 -10.968 21.767 1.00 33.23 O ATOM 707 CB PRO A 47 10.526 -8.463 24.079 1.00 32.44 C ATOM 708 CG PRO A 47 9.807 -8.588 25.378 1.00 60.01 C ATOM 709 CD PRO A 47 8.341 -8.509 25.050 1.00 52.01 C ATOM 0 HA PRO A 47 9.644 -8.681 22.066 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.499 -8.954 24.116 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.706 -7.418 23.825 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.047 -9.532 25.867 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.097 -7.791 26.063 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.744 -9.122 25.726 1.00 52.01 H new ATOM 0 HD3 PRO A 47 7.966 -7.489 25.130 1.00 52.01 H new ATOM 717 N VAL A 48 9.845 -11.399 23.888 1.00 62.33 N ATOM 718 CA VAL A 48 10.192 -12.813 23.817 1.00 40.41 C ATOM 719 C VAL A 48 9.008 -13.647 23.343 1.00 23.10 C ATOM 720 O VAL A 48 7.853 -13.300 23.589 1.00 71.24 O ATOM 721 CB VAL A 48 10.666 -13.344 25.183 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.208 -14.759 25.047 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.715 -12.418 25.779 1.00 30.33 C ATOM 0 H VAL A 48 9.474 -11.101 24.790 1.00 62.33 H new ATOM 0 HA VAL A 48 11.006 -12.903 23.098 1.00 40.41 H new ATOM 0 HB VAL A 48 9.812 -13.371 25.859 1.00 11.01 H new ATOM 0 HG11 VAL A 48 11.538 -15.117 26.022 1.00 61.40 H new ATOM 0 HG12 VAL A 48 10.424 -15.414 24.666 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.051 -14.761 24.355 1.00 61.40 H new ATOM 0 HG21 VAL A 48 12.039 -12.808 26.744 1.00 30.33 H new ATOM 0 HG22 VAL A 48 12.571 -12.357 25.107 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.288 -11.424 25.914 1.00 30.33 H new ATOM 733 N ASN A 49 9.302 -14.750 22.661 1.00 53.04 N ATOM 734 CA ASN A 49 8.260 -15.634 22.153 1.00 3.42 C ATOM 735 C ASN A 49 7.823 -16.632 23.222 1.00 15.14 C ATOM 736 O ASN A 49 8.008 -17.839 23.071 1.00 41.55 O ATOM 737 CB ASN A 49 8.757 -16.382 20.915 1.00 63.41 C ATOM 738 CG ASN A 49 9.129 -15.443 19.783 1.00 20.23 C ATOM 739 OD1 ASN A 49 8.271 -14.765 19.216 1.00 0.21 O ATOM 740 ND2 ASN A 49 10.413 -15.400 19.448 1.00 2.13 N ATOM 0 H ASN A 49 10.253 -15.052 22.448 1.00 53.04 H new ATOM 0 HA ASN A 49 7.400 -15.022 21.880 1.00 3.42 H new ATOM 0 HB2 ASN A 49 9.624 -16.986 21.182 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.983 -17.069 20.574 1.00 63.41 H new ATOM 0 HD21 ASN A 49 10.723 -14.788 18.693 1.00 2.13 H new ATOM 0 HD22 ASN A 49 11.089 -15.979 19.945 1.00 2.13 H new ATOM 747 N SER A 50 7.242 -16.118 24.301 1.00 44.25 N ATOM 748 CA SER A 50 6.782 -16.963 25.397 1.00 32.14 C ATOM 749 C SER A 50 5.318 -17.348 25.207 1.00 64.13 C ATOM 750 O SER A 50 4.684 -16.963 24.224 1.00 43.22 O ATOM 751 CB SER A 50 6.962 -16.242 26.734 1.00 24.20 C ATOM 752 OG SER A 50 8.236 -16.514 27.293 1.00 2.44 O ATOM 0 H SER A 50 7.079 -15.121 24.440 1.00 44.25 H new ATOM 0 HA SER A 50 7.382 -17.873 25.399 1.00 32.14 H new ATOM 0 HB2 SER A 50 6.847 -15.168 26.590 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.182 -16.556 27.428 1.00 24.20 H new ATOM 0 HG SER A 50 8.327 -16.040 28.146 1.00 2.44 H new ATOM 758 N THR A 51 4.787 -18.114 26.156 1.00 5.13 N ATOM 759 CA THR A 51 3.399 -18.554 26.094 1.00 65.34 C ATOM 760 C THR A 51 2.468 -17.531 26.735 1.00 50.11 C ATOM 761 O THR A 51 2.887 -16.740 27.581 1.00 60.11 O ATOM 762 CB THR A 51 3.208 -19.913 26.794 1.00 55.53 C ATOM 763 OG1 THR A 51 4.434 -20.653 26.769 1.00 72.33 O ATOM 764 CG2 THR A 51 2.109 -20.720 26.120 1.00 1.44 C ATOM 0 H THR A 51 5.297 -18.442 26.976 1.00 5.13 H new ATOM 0 HA THR A 51 3.148 -18.658 25.038 1.00 65.34 H new ATOM 0 HB THR A 51 2.917 -19.726 27.828 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.305 -21.515 27.217 1.00 72.33 H new ATOM 0 HG21 THR A 51 1.993 -21.675 26.632 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.171 -20.167 26.166 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.375 -20.897 25.078 1.00 1.44 H new ATOM 772 N LEU A 52 1.204 -17.551 26.329 1.00 33.00 N ATOM 773 CA LEU A 52 0.213 -16.624 26.865 1.00 60.43 C ATOM 774 C LEU A 52 -0.867 -17.371 27.640 1.00 61.44 C ATOM 775 O LEU A 52 -1.506 -18.284 27.115 1.00 62.04 O ATOM 776 CB LEU A 52 -0.424 -15.816 25.732 1.00 25.32 C ATOM 777 CG LEU A 52 0.485 -14.802 25.039 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.154 -14.713 23.557 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.360 -13.435 25.697 1.00 44.14 C ATOM 0 H LEU A 52 0.840 -18.199 25.630 1.00 33.00 H new ATOM 0 HA LEU A 52 0.721 -15.943 27.548 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.797 -16.512 24.981 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.288 -15.286 26.132 1.00 25.32 H new ATOM 0 HG LEU A 52 1.516 -15.140 25.141 1.00 24.22 H new ATOM 0 HD11 LEU A 52 0.812 -13.986 23.080 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.296 -15.689 23.093 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -0.883 -14.400 23.434 1.00 0.43 H new ATOM 0 HD21 LEU A 52 1.015 -12.726 25.190 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.672 -13.090 25.627 1.00 44.14 H new ATOM 0 HD23 LEU A 52 0.648 -13.508 26.746 1.00 44.14 H new ATOM 791 N LYS A 53 -1.067 -16.977 28.894 1.00 74.15 N ATOM 792 CA LYS A 53 -2.072 -17.606 29.743 1.00 74.21 C ATOM 793 C LYS A 53 -3.378 -16.817 29.716 1.00 31.10 C ATOM 794 O LYS A 53 -3.403 -15.630 30.043 1.00 13.00 O ATOM 795 CB LYS A 53 -1.558 -17.715 31.181 1.00 14.13 C ATOM 796 CG LYS A 53 -2.622 -18.146 32.175 1.00 13.04 C ATOM 797 CD LYS A 53 -2.046 -19.054 33.249 1.00 71.31 C ATOM 798 CE LYS A 53 -3.014 -19.228 34.409 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.429 -20.057 35.499 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.546 -16.225 29.344 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.265 -18.607 29.356 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.734 -18.428 31.211 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.155 -16.750 31.488 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.064 -17.265 32.641 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.423 -18.665 31.649 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.814 -20.028 32.818 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.108 -18.636 33.616 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.288 -18.250 34.804 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.931 -19.695 34.050 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.119 -20.152 36.271 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.191 -20.999 35.129 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.568 -19.599 35.859 1.00 24.22 H new ATOM 813 N ILE A 54 -4.458 -17.485 29.327 1.00 64.31 N ATOM 814 CA ILE A 54 -5.767 -16.845 29.262 1.00 34.23 C ATOM 815 C ILE A 54 -6.757 -17.521 30.205 1.00 24.45 C ATOM 816 O ILE A 54 -6.845 -18.748 30.257 1.00 52.53 O ATOM 817 CB ILE A 54 -6.337 -16.875 27.831 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.288 -16.385 26.830 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.596 -16.026 27.745 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.769 -17.475 25.917 1.00 73.40 C ATOM 0 H ILE A 54 -4.454 -18.467 29.052 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.627 -15.808 29.568 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.598 -17.903 27.581 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.720 -15.589 26.223 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.451 -15.951 27.376 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.987 -16.057 26.728 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.345 -16.416 28.434 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.359 -14.996 28.011 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -4.030 -17.056 25.234 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -4.307 -18.261 26.515 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.596 -17.894 25.344 1.00 73.40 H new ATOM 832 N THR A 55 -7.503 -16.710 30.949 1.00 53.10 N ATOM 833 CA THR A 55 -8.487 -17.229 31.891 1.00 62.11 C ATOM 834 C THR A 55 -9.736 -16.354 31.919 1.00 50.41 C ATOM 835 O THR A 55 -9.645 -15.126 31.895 1.00 11.34 O ATOM 836 CB THR A 55 -7.908 -17.324 33.315 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.637 -16.012 33.822 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.631 -18.150 33.325 1.00 13.32 C ATOM 0 H THR A 55 -7.444 -15.692 30.917 1.00 53.10 H new ATOM 0 HA THR A 55 -8.754 -18.229 31.549 1.00 62.11 H new ATOM 0 HB THR A 55 -8.645 -17.814 33.951 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.271 -16.081 34.728 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.240 -18.203 34.341 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.846 -19.156 32.966 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.891 -17.683 32.675 1.00 13.32 H new ATOM 846 N TYR A 56 -10.899 -16.992 31.972 1.00 11.42 N ATOM 847 CA TYR A 56 -12.165 -16.270 32.003 1.00 11.02 C ATOM 848 C TYR A 56 -13.095 -16.845 33.067 1.00 62.40 C ATOM 849 O TYR A 56 -13.470 -18.016 33.013 1.00 41.44 O ATOM 850 CB TYR A 56 -12.843 -16.330 30.633 1.00 44.12 C ATOM 851 CG TYR A 56 -14.039 -15.412 30.508 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.000 -14.117 31.010 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.207 -15.841 29.890 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.090 -13.275 30.899 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.301 -15.006 29.773 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.238 -13.724 30.280 1.00 31.42 C ATOM 857 OH TYR A 56 -17.326 -12.889 30.167 1.00 41.25 O ATOM 0 H TYR A 56 -10.992 -18.008 31.994 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.955 -15.230 32.253 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.115 -16.070 29.865 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.160 -17.355 30.438 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.103 -13.763 31.495 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.260 -16.844 29.494 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.043 -12.271 31.295 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.201 -15.354 29.288 1.00 41.03 H new ATOM 0 HH TYR A 56 -17.131 -12.184 29.515 1.00 41.25 H new ATOM 867 N ILE A 57 -13.462 -16.012 34.036 1.00 62.21 N ATOM 868 CA ILE A 57 -14.348 -16.436 35.112 1.00 35.22 C ATOM 869 C ILE A 57 -15.608 -17.093 34.561 1.00 41.02 C ATOM 870 O ILE A 57 -16.440 -16.438 33.934 1.00 74.23 O ATOM 871 CB ILE A 57 -14.751 -15.250 36.009 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.788 -15.695 37.043 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.295 -14.108 35.163 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.935 -14.732 38.201 1.00 34.03 C ATOM 0 H ILE A 57 -13.159 -15.040 34.097 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.795 -17.161 35.709 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.866 -14.895 36.538 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.754 -15.810 36.551 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.508 -16.675 37.429 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.576 -13.277 35.810 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.529 -13.778 34.461 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.171 -14.449 34.611 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.686 -15.110 38.895 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.980 -14.635 38.717 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.245 -13.757 37.826 1.00 34.03 H new ATOM 886 N GLY A 58 -15.744 -18.394 34.799 1.00 41.22 N ATOM 887 CA GLY A 58 -16.907 -19.119 34.321 1.00 34.45 C ATOM 888 C GLY A 58 -16.540 -20.434 33.664 1.00 45.03 C ATOM 889 O GLY A 58 -17.080 -21.484 34.015 1.00 23.42 O ATOM 0 H GLY A 58 -15.069 -18.959 35.315 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.581 -19.309 35.156 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.450 -18.499 33.608 1.00 34.45 H new ATOM 893 N TYR A 59 -15.620 -20.380 32.707 1.00 61.23 N ATOM 894 CA TYR A 59 -15.185 -21.576 31.996 1.00 30.13 C ATOM 895 C TYR A 59 -13.770 -21.971 32.409 1.00 1.25 C ATOM 896 O TYR A 59 -13.079 -21.219 33.096 1.00 60.34 O ATOM 897 CB TYR A 59 -15.241 -21.345 30.486 1.00 42.25 C ATOM 898 CG TYR A 59 -16.646 -21.326 29.928 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.058 -22.269 28.994 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.562 -20.362 30.333 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.340 -22.254 28.481 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.846 -20.341 29.827 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.231 -21.289 28.901 1.00 4.31 C ATOM 904 OH TYR A 59 -20.510 -21.270 28.394 1.00 24.41 O ATOM 0 H TYR A 59 -15.161 -19.520 32.406 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.861 -22.390 32.258 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.754 -20.398 30.254 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.671 -22.128 29.986 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.363 -23.027 28.664 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.264 -19.617 31.056 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.643 -22.994 27.755 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.546 -19.586 30.154 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.009 -20.528 28.794 1.00 24.41 H new ATOM 914 N LYS A 60 -13.346 -23.156 31.984 1.00 52.23 N ATOM 915 CA LYS A 60 -12.013 -23.653 32.307 1.00 72.32 C ATOM 916 C LYS A 60 -10.937 -22.752 31.709 1.00 51.35 C ATOM 917 O LYS A 60 -11.174 -22.012 30.754 1.00 73.04 O ATOM 918 CB LYS A 60 -11.841 -25.083 31.791 1.00 13.13 C ATOM 919 CG LYS A 60 -12.389 -26.140 32.734 1.00 75.30 C ATOM 920 CD LYS A 60 -11.556 -27.410 32.692 1.00 4.44 C ATOM 921 CE LYS A 60 -12.023 -28.418 33.731 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.707 -29.816 33.329 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.906 -23.791 31.415 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.904 -23.649 33.391 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.340 -25.175 30.826 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.781 -25.274 31.621 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.406 -25.748 33.751 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.420 -26.371 32.464 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.618 -27.854 31.699 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.508 -27.165 32.866 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.549 -28.199 34.688 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -13.098 -28.317 33.878 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -12.041 -30.472 34.063 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -12.180 -30.034 32.429 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -10.679 -29.920 33.214 1.00 3.41 H new ATOM 936 N PRO A 61 -9.726 -22.816 32.281 1.00 20.42 N ATOM 937 CA PRO A 61 -8.589 -22.014 31.819 1.00 52.34 C ATOM 938 C PRO A 61 -8.077 -22.466 30.456 1.00 43.11 C ATOM 939 O PRO A 61 -8.370 -23.575 30.008 1.00 71.32 O ATOM 940 CB PRO A 61 -7.526 -22.252 32.895 1.00 12.55 C ATOM 941 CG PRO A 61 -7.873 -23.576 33.484 1.00 64.21 C ATOM 942 CD PRO A 61 -9.372 -23.676 33.423 1.00 62.33 C ATOM 0 HA PRO A 61 -8.856 -20.965 31.689 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.524 -22.260 32.467 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.544 -21.466 33.650 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.405 -24.386 32.925 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.518 -23.651 34.512 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.700 -24.704 33.269 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.836 -23.329 34.346 1.00 62.33 H new ATOM 950 N VAL A 62 -7.310 -21.601 29.800 1.00 41.12 N ATOM 951 CA VAL A 62 -6.755 -21.912 28.488 1.00 22.22 C ATOM 952 C VAL A 62 -5.432 -21.189 28.265 1.00 13.54 C ATOM 953 O VAL A 62 -5.285 -20.017 28.616 1.00 74.11 O ATOM 954 CB VAL A 62 -7.733 -21.530 27.361 1.00 23.31 C ATOM 955 CG1 VAL A 62 -9.006 -22.359 27.454 1.00 24.54 C ATOM 956 CG2 VAL A 62 -8.050 -20.044 27.412 1.00 33.21 C ATOM 0 H VAL A 62 -7.059 -20.679 30.156 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.585 -22.988 28.463 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.258 -21.744 26.404 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.685 -22.075 26.650 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.759 -23.417 27.364 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -9.488 -22.180 28.415 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.742 -19.792 26.609 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.505 -19.802 28.372 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -7.130 -19.471 27.291 1.00 33.21 H new ATOM 966 N THR A 63 -4.470 -21.893 27.678 1.00 11.33 N ATOM 967 CA THR A 63 -3.158 -21.319 27.408 1.00 11.40 C ATOM 968 C THR A 63 -2.726 -21.585 25.970 1.00 54.21 C ATOM 969 O THR A 63 -2.938 -22.676 25.439 1.00 35.44 O ATOM 970 CB THR A 63 -2.090 -21.882 28.365 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.121 -23.314 28.346 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.319 -21.384 29.784 1.00 60.11 C ATOM 0 H THR A 63 -4.575 -22.863 27.380 1.00 11.33 H new ATOM 0 HA THR A 63 -3.246 -20.244 27.565 1.00 11.40 H new ATOM 0 HB THR A 63 -1.113 -21.536 28.028 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.438 -23.664 28.956 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.553 -21.795 30.442 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.266 -20.295 29.801 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.302 -21.705 30.128 1.00 60.11 H new ATOM 980 N VAL A 64 -2.119 -20.582 25.345 1.00 54.51 N ATOM 981 CA VAL A 64 -1.656 -20.709 23.968 1.00 53.21 C ATOM 982 C VAL A 64 -0.385 -19.899 23.738 1.00 13.32 C ATOM 983 O VAL A 64 -0.191 -18.844 24.342 1.00 10.04 O ATOM 984 CB VAL A 64 -2.733 -20.247 22.968 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.935 -21.178 23.009 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.148 -18.812 23.259 1.00 14.45 C ATOM 0 H VAL A 64 -1.936 -19.673 25.770 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.446 -21.766 23.802 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.311 -20.283 21.963 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.685 -20.835 22.296 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.621 -22.189 22.748 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.361 -21.178 24.012 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.909 -18.501 22.544 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.552 -18.748 24.269 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.280 -18.158 23.173 1.00 14.45 H new ATOM 996 N LYS A 65 0.480 -20.400 22.863 1.00 23.50 N ATOM 997 CA LYS A 65 1.732 -19.723 22.551 1.00 33.44 C ATOM 998 C LYS A 65 1.474 -18.395 21.847 1.00 51.13 C ATOM 999 O LYS A 65 0.421 -18.199 21.241 1.00 14.12 O ATOM 1000 CB LYS A 65 2.613 -20.616 21.673 1.00 53.40 C ATOM 1001 CG LYS A 65 3.164 -21.831 22.400 1.00 44.43 C ATOM 1002 CD LYS A 65 3.325 -23.015 21.463 1.00 43.14 C ATOM 1003 CE LYS A 65 4.514 -23.880 21.856 1.00 1.42 C ATOM 1004 NZ LYS A 65 4.124 -24.960 22.803 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.336 -21.274 22.357 1.00 23.50 H new ATOM 0 HA LYS A 65 2.250 -19.521 23.489 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.034 -20.950 20.812 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.444 -20.026 21.288 1.00 53.40 H new ATOM 0 HG2 LYS A 65 4.128 -21.584 22.845 1.00 44.43 H new ATOM 0 HG3 LYS A 65 2.496 -22.101 23.218 1.00 44.43 H new ATOM 0 HD2 LYS A 65 2.416 -23.617 21.476 1.00 43.14 H new ATOM 0 HD3 LYS A 65 3.456 -22.657 20.442 1.00 43.14 H new ATOM 0 HE2 LYS A 65 4.953 -24.322 20.962 1.00 1.42 H new ATOM 0 HE3 LYS A 65 5.282 -23.256 22.313 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 4.961 -25.527 23.047 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 3.728 -24.538 23.667 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 3.410 -25.571 22.358 1.00 70.32 H new ATOM 1018 N ALA A 66 2.442 -17.489 21.929 1.00 25.33 N ATOM 1019 CA ALA A 66 2.319 -16.182 21.295 1.00 72.41 C ATOM 1020 C ALA A 66 2.530 -16.279 19.788 1.00 62.14 C ATOM 1021 O ALA A 66 3.546 -16.800 19.327 1.00 13.22 O ATOM 1022 CB ALA A 66 3.312 -15.204 21.906 1.00 71.52 C ATOM 0 H ALA A 66 3.320 -17.636 22.428 1.00 25.33 H new ATOM 0 HA ALA A 66 1.308 -15.815 21.471 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.209 -14.232 21.423 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.113 -15.102 22.973 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.326 -15.576 21.760 1.00 71.52 H new ATOM 1028 N ALA A 67 1.565 -15.776 19.026 1.00 60.43 N ATOM 1029 CA ALA A 67 1.646 -15.806 17.571 1.00 33.34 C ATOM 1030 C ALA A 67 0.773 -14.721 16.950 1.00 63.13 C ATOM 1031 O ALA A 67 -0.064 -14.122 17.624 1.00 55.04 O ATOM 1032 CB ALA A 67 1.239 -17.175 17.048 1.00 32.31 C ATOM 0 H ALA A 67 0.717 -15.343 19.392 1.00 60.43 H new ATOM 0 HA ALA A 67 2.680 -15.612 17.286 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.304 -17.183 15.960 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.906 -17.934 17.457 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.215 -17.391 17.352 1.00 32.31 H new ATOM 1038 N ALA A 68 0.977 -14.470 15.661 1.00 60.23 N ATOM 1039 CA ALA A 68 0.208 -13.457 14.949 1.00 73.13 C ATOM 1040 C ALA A 68 -1.289 -13.727 15.057 1.00 2.42 C ATOM 1041 O ALA A 68 -2.080 -12.810 15.282 1.00 53.41 O ATOM 1042 CB ALA A 68 0.632 -13.402 13.489 1.00 13.31 C ATOM 0 H ALA A 68 1.668 -14.954 15.089 1.00 60.23 H new ATOM 0 HA ALA A 68 0.411 -12.491 15.412 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.049 -12.641 12.969 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.691 -13.153 13.427 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.459 -14.372 13.023 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.670 -14.989 14.896 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.073 -15.379 14.975 1.00 43.13 C ATOM 1050 C ILE A 69 -3.233 -16.710 15.702 1.00 23.51 C ATOM 1051 O ILE A 69 -2.822 -17.757 15.201 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.707 -15.491 13.577 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.555 -14.172 12.818 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.174 -15.878 13.689 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.988 -14.254 11.370 1.00 23.11 C ATOM 0 H ILE A 69 -1.028 -15.759 14.710 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.586 -14.597 15.535 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.188 -16.271 13.020 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.141 -13.403 13.321 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.513 -13.856 12.860 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.608 -15.953 12.692 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.259 -16.840 14.195 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.708 -15.119 14.261 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.853 -13.283 10.894 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.385 -14.999 10.852 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.039 -14.539 11.320 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.834 -16.664 16.886 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.052 -17.867 17.682 1.00 74.42 C ATOM 1069 C VAL A 70 -5.497 -17.957 18.157 1.00 52.51 C ATOM 1070 O VAL A 70 -6.035 -17.008 18.728 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.117 -17.906 18.906 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.301 -16.661 19.759 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.366 -19.165 19.724 1.00 74.33 C ATOM 0 H VAL A 70 -4.179 -15.806 17.316 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.831 -18.718 17.038 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.086 -17.926 18.554 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.632 -16.707 20.619 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.070 -15.776 19.166 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.333 -16.606 20.105 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.698 -19.178 20.585 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.400 -19.177 20.067 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.178 -20.043 19.106 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.123 -19.105 17.917 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.508 -19.320 18.320 1.00 11.52 C ATOM 1085 C ASN A 71 -7.581 -20.182 19.576 1.00 55.40 C ATOM 1086 O ASN A 71 -6.913 -21.212 19.676 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.294 -19.983 17.187 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.491 -19.058 16.002 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.020 -17.868 16.261 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.171 -19.408 14.865 1.00 50.40 N flip ATOM 0 H ASN A 71 -5.693 -19.901 17.445 1.00 53.23 H new ATOM 0 HA ASN A 71 -7.951 -18.349 18.541 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.768 -20.880 16.861 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.267 -20.302 17.561 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -7.767 -20.332 14.710 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.310 -18.774 14.078 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.397 -19.755 20.534 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.559 -20.488 21.785 1.00 24.20 C ATOM 1099 C VAL A 72 -10.016 -20.872 22.011 1.00 31.43 C ATOM 1100 O VAL A 72 -10.930 -20.163 21.589 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.065 -19.662 22.988 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.055 -20.510 24.250 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.683 -19.090 22.709 1.00 24.11 C ATOM 0 H VAL A 72 -8.957 -18.905 20.468 1.00 51.53 H new ATOM 0 HA VAL A 72 -7.956 -21.392 21.703 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.753 -18.831 23.143 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.703 -19.910 25.089 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.064 -20.867 24.457 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.390 -21.363 24.110 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.349 -18.509 23.569 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -5.982 -19.905 22.527 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.726 -18.446 21.831 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.227 -22.001 22.679 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.575 -22.482 22.962 1.00 72.02 C ATOM 1115 C LEU A 73 -11.790 -22.646 24.464 1.00 3.23 C ATOM 1116 O LEU A 73 -11.003 -23.303 25.146 1.00 44.43 O ATOM 1117 CB LEU A 73 -11.823 -23.814 22.251 1.00 3.23 C ATOM 1118 CG LEU A 73 -11.693 -23.795 20.728 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.356 -25.183 20.204 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -12.974 -23.279 20.090 1.00 64.32 C ATOM 0 H LEU A 73 -9.482 -22.600 23.035 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.284 -21.742 22.590 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -11.123 -24.550 22.646 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -12.825 -24.158 22.506 1.00 3.23 H new ATOM 0 HG LEU A 73 -10.880 -23.120 20.460 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.267 -25.150 19.118 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.412 -25.515 20.635 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.147 -25.879 20.483 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -12.863 -23.272 19.006 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.805 -23.928 20.366 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -13.173 -22.266 20.441 1.00 64.32 H new ATOM 1132 N LEU A 74 -12.862 -22.048 24.971 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.182 -22.129 26.392 1.00 22.25 C ATOM 1134 C LEU A 74 -14.034 -23.360 26.688 1.00 10.24 C ATOM 1135 O LEU A 74 -15.122 -23.521 26.135 1.00 22.34 O ATOM 1136 CB LEU A 74 -13.917 -20.866 26.843 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.289 -20.104 28.010 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.838 -19.767 27.708 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.081 -18.841 28.311 1.00 34.41 C ATOM 0 H LEU A 74 -13.524 -21.502 24.420 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.247 -22.214 26.946 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -13.991 -20.190 25.992 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -14.934 -21.142 27.121 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.316 -20.743 28.892 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.408 -19.225 28.550 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.277 -20.687 27.544 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.787 -19.147 26.813 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.619 -18.312 29.144 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.088 -18.197 27.431 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.105 -19.107 28.573 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.533 -24.223 27.565 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.250 -25.438 27.936 1.00 73.42 C ATOM 1153 C GLU A 75 -15.154 -25.191 29.140 1.00 44.11 C ATOM 1154 O GLU A 75 -14.811 -24.424 30.039 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.262 -26.564 28.249 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.734 -27.933 27.789 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.611 -28.952 27.744 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.923 -29.031 26.704 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.422 -29.670 28.747 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.634 -24.104 28.032 1.00 25.11 H new ATOM 0 HA GLU A 75 -14.872 -25.734 27.091 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.307 -26.340 27.774 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.085 -26.592 29.324 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.516 -28.288 28.461 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -14.180 -27.846 26.798 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.311 -25.845 29.148 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.265 -25.696 30.240 1.00 55.40 C ATOM 1168 C GLU A 76 -16.631 -26.082 31.573 1.00 52.44 C ATOM 1169 O GLU A 76 -15.858 -27.035 31.652 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.506 -26.554 29.985 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.025 -26.465 28.559 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.517 -26.719 28.465 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.292 -25.923 29.035 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.909 -27.714 27.820 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.610 -26.483 28.411 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.561 -24.648 30.288 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.272 -27.594 30.213 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.296 -26.248 30.670 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.802 -25.477 28.156 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.497 -27.189 27.938 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.966 -25.333 32.619 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.431 -25.597 33.950 1.00 14.13 C ATOM 1183 C ASP A 77 -17.477 -26.272 34.832 1.00 2.45 C ATOM 1184 O ASP A 77 -18.675 -26.025 34.693 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.959 -24.296 34.600 1.00 0.41 C ATOM 1186 CG ASP A 77 -15.143 -24.538 35.855 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -14.600 -25.652 36.003 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -15.050 -23.614 36.690 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.605 -24.539 32.571 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.581 -26.271 33.846 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -15.361 -23.732 33.884 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -16.825 -23.681 34.846 1.00 0.41 H new