USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 74 GLN : amide:sc= 1.71 K(o=2.7,f=-2.6!) USER MOD Set 1.2: A 84 SER OG : rot 35:sc= 1.04 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= -0.0622 (180deg=-0.993) USER MOD Single : A 23 ASN : amide:sc= 1.02 K(o=1,f=-0.32) USER MOD Single : A 25 SER OG : rot -99:sc= -0.411 USER MOD Single : A 27 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 29 THR OG1 : rot -9:sc= 0.748 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -46:sc= 0.00355 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.118 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc=-0.00227 (180deg=-0.349) USER MOD Single : A 69 ASN : amide:sc= -5.43! C(o=-5.4!,f=-7.6!) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0.808 (180deg=0.792) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -96:sc= -2.81! USER MOD Single : A 88 THR OG1 : rot 62:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 79.492 8.502 4.437 1.00 0.00 N ATOM 229 CA ALA A 15 78.570 8.311 3.284 1.00 0.00 C ATOM 230 C ALA A 15 79.338 7.795 2.066 1.00 0.00 C ATOM 231 O ALA A 15 78.759 7.290 1.124 1.00 0.00 O ATOM 232 CB ALA A 15 77.991 9.698 3.003 1.00 0.00 C ATOM 0 HA ALA A 15 77.791 7.579 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.299 9.640 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.461 10.057 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.800 10.387 2.760 1.00 0.00 H new ATOM 238 N ALA A 16 80.638 7.923 2.070 1.00 0.00 N ATOM 239 CA ALA A 16 81.435 7.443 0.905 1.00 0.00 C ATOM 240 C ALA A 16 81.516 5.919 0.908 1.00 0.00 C ATOM 241 O ALA A 16 81.297 5.274 -0.098 1.00 0.00 O ATOM 242 CB ALA A 16 82.822 8.059 1.089 1.00 0.00 C ATOM 0 H ALA A 16 81.181 8.338 2.827 1.00 0.00 H new ATOM 0 HA ALA A 16 80.987 7.731 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.469 7.751 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.739 9.146 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.248 7.720 2.033 1.00 0.00 H new ATOM 248 N ARG A 17 81.820 5.338 2.030 1.00 0.00 N ATOM 249 CA ARG A 17 81.906 3.853 2.096 1.00 0.00 C ATOM 250 C ARG A 17 80.529 3.269 2.412 1.00 0.00 C ATOM 251 O ARG A 17 80.409 2.170 2.916 1.00 0.00 O ATOM 252 CB ARG A 17 82.889 3.559 3.228 1.00 0.00 C ATOM 253 CG ARG A 17 82.292 4.022 4.559 1.00 0.00 C ATOM 254 CD ARG A 17 83.234 5.030 5.217 1.00 0.00 C ATOM 255 NE ARG A 17 83.374 4.565 6.624 1.00 0.00 N ATOM 256 CZ ARG A 17 84.127 3.536 6.900 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.379 3.526 6.528 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.631 2.517 7.546 1.00 0.00 N ATOM 0 H ARG A 17 82.013 5.825 2.905 1.00 0.00 H new ATOM 0 HA ARG A 17 82.234 3.412 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.106 2.492 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.834 4.070 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.315 4.476 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.139 3.167 5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.200 5.056 4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.825 6.039 5.174 1.00 0.00 H new ATOM 0 HE ARG A 17 82.881 5.051 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.767 4.322 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.969 2.722 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 17 82.653 2.524 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 17 84.221 1.713 7.761 1.00 0.00 H new ATOM 272 N THR A 18 79.484 4.000 2.122 1.00 0.00 N ATOM 273 CA THR A 18 78.115 3.484 2.412 1.00 0.00 C ATOM 274 C THR A 18 77.215 3.633 1.182 1.00 0.00 C ATOM 275 O THR A 18 77.261 4.623 0.480 1.00 0.00 O ATOM 276 CB THR A 18 77.601 4.354 3.561 1.00 0.00 C ATOM 277 OG1 THR A 18 78.434 4.174 4.697 1.00 0.00 O ATOM 278 CG2 THR A 18 76.168 3.950 3.907 1.00 0.00 C ATOM 0 H THR A 18 79.520 4.927 1.699 1.00 0.00 H new ATOM 0 HA THR A 18 78.121 2.425 2.670 1.00 0.00 H new ATOM 0 HB THR A 18 77.617 5.402 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.107 4.732 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.803 4.570 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.530 4.089 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.148 2.903 4.208 1.00 0.00 H new ATOM 286 N LEU A 19 76.390 2.655 0.924 1.00 0.00 N ATOM 287 CA LEU A 19 75.477 2.734 -0.253 1.00 0.00 C ATOM 288 C LEU A 19 74.154 2.033 0.065 1.00 0.00 C ATOM 289 O LEU A 19 74.084 1.184 0.931 1.00 0.00 O ATOM 290 CB LEU A 19 76.213 2.018 -1.387 1.00 0.00 C ATOM 291 CG LEU A 19 76.683 0.644 -0.913 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.736 -0.432 -1.448 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.097 0.385 -1.438 1.00 0.00 C ATOM 0 H LEU A 19 76.308 1.803 1.478 1.00 0.00 H new ATOM 0 HA LEU A 19 75.237 3.763 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.555 1.910 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.067 2.613 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 19 76.686 0.615 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.071 -1.413 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.728 -0.246 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.733 -0.405 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.436 -0.595 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.091 0.413 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.772 1.152 -1.059 1.00 0.00 H new ATOM 305 N LEU A 20 73.104 2.389 -0.622 1.00 0.00 N ATOM 306 CA LEU A 20 71.782 1.750 -0.349 1.00 0.00 C ATOM 307 C LEU A 20 71.439 0.721 -1.431 1.00 0.00 C ATOM 308 O LEU A 20 71.485 1.008 -2.609 1.00 0.00 O ATOM 309 CB LEU A 20 70.777 2.901 -0.381 1.00 0.00 C ATOM 310 CG LEU A 20 69.467 2.454 0.269 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.446 2.895 1.734 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.290 3.090 -0.472 1.00 0.00 C ATOM 0 H LEU A 20 73.102 3.093 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 20 71.778 1.218 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.181 3.765 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.597 3.212 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 20 69.387 1.368 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.512 2.576 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.285 2.443 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.526 3.981 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.355 2.773 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.371 4.176 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.304 2.776 -1.516 1.00 0.00 H new ATOM 324 N ALA A 21 71.074 -0.469 -1.038 1.00 0.00 N ATOM 325 CA ALA A 21 70.705 -1.504 -2.042 1.00 0.00 C ATOM 326 C ALA A 21 69.216 -1.383 -2.368 1.00 0.00 C ATOM 327 O ALA A 21 68.393 -1.220 -1.487 1.00 0.00 O ATOM 328 CB ALA A 21 71.004 -2.843 -1.366 1.00 0.00 C ATOM 0 H ALA A 21 71.016 -0.768 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 21 71.254 -1.399 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.757 -3.658 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.062 -2.893 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.406 -2.934 -0.459 1.00 0.00 H new ATOM 334 N LYS A 22 68.859 -1.446 -3.620 1.00 0.00 N ATOM 335 CA LYS A 22 67.420 -1.318 -3.982 1.00 0.00 C ATOM 336 C LYS A 22 66.969 -2.496 -4.842 1.00 0.00 C ATOM 337 O LYS A 22 67.758 -3.324 -5.253 1.00 0.00 O ATOM 338 CB LYS A 22 67.327 -0.018 -4.781 1.00 0.00 C ATOM 339 CG LYS A 22 65.999 0.680 -4.481 1.00 0.00 C ATOM 340 CD LYS A 22 65.702 1.707 -5.576 1.00 0.00 C ATOM 341 CE LYS A 22 64.654 1.142 -6.536 1.00 0.00 C ATOM 342 NZ LYS A 22 63.384 1.135 -5.756 1.00 0.00 N ATOM 0 H LYS A 22 69.497 -1.580 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 22 66.781 -1.310 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.159 0.638 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.405 -0.229 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.195 -0.054 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.046 1.172 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.341 2.634 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.615 1.949 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.565 1.758 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.921 0.138 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.051 0.156 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.550 1.554 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.664 1.690 -6.261 1.00 0.00 H new ATOM 356 N ASN A 23 65.701 -2.564 -5.120 1.00 0.00 N ATOM 357 CA ASN A 23 65.171 -3.675 -5.962 1.00 0.00 C ATOM 358 C ASN A 23 65.470 -5.033 -5.320 1.00 0.00 C ATOM 359 O ASN A 23 65.412 -6.059 -5.970 1.00 0.00 O ATOM 360 CB ASN A 23 65.905 -3.541 -7.296 1.00 0.00 C ATOM 361 CG ASN A 23 65.035 -4.110 -8.418 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.645 -3.397 -9.322 1.00 0.00 O ATOM 363 ND2 ASN A 23 64.710 -5.374 -8.399 1.00 0.00 N ATOM 0 H ASN A 23 65.001 -1.895 -4.799 1.00 0.00 H new ATOM 0 HA ASN A 23 64.089 -3.618 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.133 -2.494 -7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.856 -4.072 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.129 -5.763 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.037 -5.973 -7.641 1.00 0.00 H new ATOM 370 N LEU A 24 65.783 -5.055 -4.054 1.00 0.00 N ATOM 371 CA LEU A 24 66.078 -6.356 -3.388 1.00 0.00 C ATOM 372 C LEU A 24 64.809 -7.207 -3.314 1.00 0.00 C ATOM 373 O LEU A 24 63.826 -6.821 -2.712 1.00 0.00 O ATOM 374 CB LEU A 24 66.555 -5.991 -1.983 1.00 0.00 C ATOM 375 CG LEU A 24 67.726 -5.013 -2.073 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.782 -4.170 -0.800 1.00 0.00 C ATOM 377 CD2 LEU A 24 69.031 -5.797 -2.222 1.00 0.00 C ATOM 0 H LEU A 24 65.847 -4.233 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 24 66.824 -6.935 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.738 -5.544 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.860 -6.890 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 24 67.592 -4.361 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.617 -3.472 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.851 -3.614 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.918 -4.822 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.868 -5.102 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.165 -6.447 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.991 -6.401 -3.128 1.00 0.00 H new ATOM 389 N SER A 25 64.818 -8.362 -3.918 1.00 0.00 N ATOM 390 CA SER A 25 63.608 -9.230 -3.874 1.00 0.00 C ATOM 391 C SER A 25 63.073 -9.311 -2.444 1.00 0.00 C ATOM 392 O SER A 25 63.808 -9.562 -1.508 1.00 0.00 O ATOM 393 CB SER A 25 64.084 -10.602 -4.350 1.00 0.00 C ATOM 394 OG SER A 25 63.435 -10.925 -5.574 1.00 0.00 O ATOM 0 H SER A 25 65.608 -8.742 -4.439 1.00 0.00 H new ATOM 0 HA SER A 25 62.799 -8.845 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 25 65.165 -10.597 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.863 -11.358 -3.597 1.00 0.00 H new ATOM 0 HG SER A 25 62.679 -11.523 -5.396 1.00 0.00 H new ATOM 400 N PHE A 26 61.799 -9.101 -2.265 1.00 0.00 N ATOM 401 CA PHE A 26 61.212 -9.164 -0.907 1.00 0.00 C ATOM 402 C PHE A 26 61.704 -10.409 -0.168 1.00 0.00 C ATOM 403 O PHE A 26 61.758 -10.444 1.045 1.00 0.00 O ATOM 404 CB PHE A 26 59.713 -9.250 -1.167 1.00 0.00 C ATOM 405 CG PHE A 26 59.277 -8.078 -2.017 1.00 0.00 C ATOM 406 CD1 PHE A 26 59.988 -6.873 -1.967 1.00 0.00 C ATOM 407 CD2 PHE A 26 58.162 -8.200 -2.855 1.00 0.00 C ATOM 408 CE1 PHE A 26 59.582 -5.789 -2.756 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.758 -7.116 -3.643 1.00 0.00 C ATOM 410 CZ PHE A 26 58.468 -5.911 -3.593 1.00 0.00 C ATOM 0 H PHE A 26 61.137 -8.887 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 26 61.485 -8.312 -0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.474 -10.186 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.169 -9.249 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 26 60.848 -6.779 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.614 -9.130 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 26 60.129 -4.859 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.898 -7.210 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 26 58.156 -5.075 -4.201 1.00 0.00 H new ATOM 420 N ASN A 27 62.062 -11.431 -0.892 1.00 0.00 N ATOM 421 CA ASN A 27 62.549 -12.675 -0.241 1.00 0.00 C ATOM 422 C ASN A 27 64.018 -12.522 0.152 1.00 0.00 C ATOM 423 O ASN A 27 64.503 -13.186 1.046 1.00 0.00 O ATOM 424 CB ASN A 27 62.387 -13.767 -1.300 1.00 0.00 C ATOM 425 CG ASN A 27 62.913 -15.093 -0.749 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.654 -15.789 -1.414 1.00 0.00 O ATOM 427 ND2 ASN A 27 62.557 -15.477 0.446 1.00 0.00 N ATOM 0 H ASN A 27 62.038 -11.457 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 27 61.998 -12.908 0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.338 -13.867 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.931 -13.495 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.901 -16.361 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.935 -14.893 1.005 1.00 0.00 H new ATOM 434 N ILE A 28 64.734 -11.654 -0.511 1.00 0.00 N ATOM 435 CA ILE A 28 66.171 -11.469 -0.169 1.00 0.00 C ATOM 436 C ILE A 28 66.303 -10.733 1.167 1.00 0.00 C ATOM 437 O ILE A 28 65.354 -10.159 1.665 1.00 0.00 O ATOM 438 CB ILE A 28 66.759 -10.640 -1.314 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.283 -10.765 -1.296 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.368 -9.170 -1.151 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.819 -10.680 -2.726 1.00 0.00 C ATOM 0 H ILE A 28 64.387 -11.068 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 28 66.694 -12.419 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 28 66.368 -11.010 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.716 -9.972 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.575 -11.712 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.791 -8.588 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.282 -9.079 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.752 -8.794 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.905 -10.769 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.396 -11.488 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.539 -9.722 -3.163 1.00 0.00 H new ATOM 453 N THR A 29 67.468 -10.748 1.754 1.00 0.00 N ATOM 454 CA THR A 29 67.648 -10.054 3.063 1.00 0.00 C ATOM 455 C THR A 29 69.121 -9.701 3.296 1.00 0.00 C ATOM 456 O THR A 29 69.966 -9.898 2.442 1.00 0.00 O ATOM 457 CB THR A 29 67.181 -11.065 4.111 1.00 0.00 C ATOM 458 OG1 THR A 29 67.973 -12.242 4.010 1.00 0.00 O ATOM 459 CG2 THR A 29 65.711 -11.414 3.873 1.00 0.00 C ATOM 0 H THR A 29 68.301 -11.208 1.387 1.00 0.00 H new ATOM 0 HA THR A 29 67.089 -9.119 3.104 1.00 0.00 H new ATOM 0 HB THR A 29 67.289 -10.634 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.535 -12.190 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.382 -12.135 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.106 -10.511 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.596 -11.846 2.879 1.00 0.00 H new ATOM 467 N GLU A 30 69.432 -9.186 4.456 1.00 0.00 N ATOM 468 CA GLU A 30 70.846 -8.830 4.757 1.00 0.00 C ATOM 469 C GLU A 30 71.745 -10.029 4.468 1.00 0.00 C ATOM 470 O GLU A 30 72.861 -9.887 4.012 1.00 0.00 O ATOM 471 CB GLU A 30 70.864 -8.486 6.246 1.00 0.00 C ATOM 472 CG GLU A 30 71.767 -7.273 6.481 1.00 0.00 C ATOM 473 CD GLU A 30 72.568 -7.475 7.768 1.00 0.00 C ATOM 474 OE1 GLU A 30 71.956 -7.737 8.790 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.782 -7.361 7.710 1.00 0.00 O ATOM 0 H GLU A 30 68.767 -8.997 5.206 1.00 0.00 H new ATOM 0 HA GLU A 30 71.208 -7.999 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.853 -8.272 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.225 -9.338 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.443 -7.141 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.165 -6.367 6.553 1.00 0.00 H new ATOM 482 N ASP A 31 71.260 -11.211 4.720 1.00 0.00 N ATOM 483 CA ASP A 31 72.080 -12.424 4.447 1.00 0.00 C ATOM 484 C ASP A 31 72.558 -12.394 2.998 1.00 0.00 C ATOM 485 O ASP A 31 73.740 -12.442 2.718 1.00 0.00 O ATOM 486 CB ASP A 31 71.137 -13.605 4.682 1.00 0.00 C ATOM 487 CG ASP A 31 71.899 -14.916 4.482 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.135 -15.274 3.340 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.236 -15.539 5.475 1.00 0.00 O ATOM 0 H ASP A 31 70.332 -11.391 5.103 1.00 0.00 H new ATOM 0 HA ASP A 31 72.964 -12.488 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.727 -13.561 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.294 -13.553 3.993 1.00 0.00 H new ATOM 494 N GLU A 32 71.645 -12.297 2.076 1.00 0.00 N ATOM 495 CA GLU A 32 72.039 -12.244 0.642 1.00 0.00 C ATOM 496 C GLU A 32 72.848 -10.975 0.385 1.00 0.00 C ATOM 497 O GLU A 32 73.779 -10.960 -0.400 1.00 0.00 O ATOM 498 CB GLU A 32 70.723 -12.213 -0.135 1.00 0.00 C ATOM 499 CG GLU A 32 70.111 -13.614 -0.163 1.00 0.00 C ATOM 500 CD GLU A 32 69.072 -13.740 0.953 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.396 -13.399 2.078 1.00 0.00 O ATOM 502 OE2 GLU A 32 67.969 -14.174 0.662 1.00 0.00 O ATOM 0 H GLU A 32 70.641 -12.252 2.253 1.00 0.00 H new ATOM 0 HA GLU A 32 72.657 -13.091 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.030 -11.512 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.897 -11.861 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.645 -13.799 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.890 -14.365 -0.035 1.00 0.00 H new ATOM 509 N LEU A 33 72.514 -9.914 1.064 1.00 0.00 N ATOM 510 CA LEU A 33 73.272 -8.650 0.883 1.00 0.00 C ATOM 511 C LEU A 33 74.653 -8.828 1.495 1.00 0.00 C ATOM 512 O LEU A 33 75.626 -8.250 1.054 1.00 0.00 O ATOM 513 CB LEU A 33 72.473 -7.589 1.640 1.00 0.00 C ATOM 514 CG LEU A 33 71.204 -7.251 0.855 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.103 -6.818 1.824 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.500 -6.111 -0.122 1.00 0.00 C ATOM 0 H LEU A 33 71.748 -9.869 1.736 1.00 0.00 H new ATOM 0 HA LEU A 33 73.400 -8.369 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.213 -7.954 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.078 -6.693 1.778 1.00 0.00 H new ATOM 0 HG LEU A 33 70.874 -8.130 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.199 -6.577 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.893 -7.629 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.431 -5.939 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.597 -5.869 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.830 -5.233 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.284 -6.419 -0.813 1.00 0.00 H new ATOM 528 N LYS A 34 74.744 -9.650 2.504 1.00 0.00 N ATOM 529 CA LYS A 34 76.059 -9.895 3.141 1.00 0.00 C ATOM 530 C LYS A 34 76.831 -10.908 2.304 1.00 0.00 C ATOM 531 O LYS A 34 78.046 -10.940 2.296 1.00 0.00 O ATOM 532 CB LYS A 34 75.746 -10.454 4.529 1.00 0.00 C ATOM 533 CG LYS A 34 76.043 -9.390 5.587 1.00 0.00 C ATOM 534 CD LYS A 34 77.191 -9.865 6.480 1.00 0.00 C ATOM 535 CE LYS A 34 78.423 -10.152 5.620 1.00 0.00 C ATOM 536 NZ LYS A 34 79.517 -9.349 6.235 1.00 0.00 N ATOM 0 H LYS A 34 73.961 -10.161 2.912 1.00 0.00 H new ATOM 0 HA LYS A 34 76.669 -8.995 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.700 -10.755 4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 34 76.344 -11.346 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 34 76.308 -8.448 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 34 75.154 -9.202 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.424 -9.105 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.896 -10.763 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.665 -11.215 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.256 -9.863 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.397 -9.494 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.261 -8.341 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.658 -9.651 7.220 1.00 0.00 H new ATOM 550 N GLU A 35 76.119 -11.726 1.589 1.00 0.00 N ATOM 551 CA GLU A 35 76.775 -12.740 0.725 1.00 0.00 C ATOM 552 C GLU A 35 77.237 -12.078 -0.573 1.00 0.00 C ATOM 553 O GLU A 35 78.235 -12.453 -1.155 1.00 0.00 O ATOM 554 CB GLU A 35 75.696 -13.786 0.445 1.00 0.00 C ATOM 555 CG GLU A 35 76.204 -14.773 -0.609 1.00 0.00 C ATOM 556 CD GLU A 35 75.023 -15.545 -1.199 1.00 0.00 C ATOM 557 OE1 GLU A 35 73.961 -14.957 -1.325 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.200 -16.709 -1.516 1.00 0.00 O ATOM 0 H GLU A 35 75.099 -11.736 1.566 1.00 0.00 H new ATOM 0 HA GLU A 35 77.652 -13.188 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.442 -14.316 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.785 -13.300 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.733 -14.238 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.917 -15.465 -0.160 1.00 0.00 H new ATOM 565 N VAL A 36 76.520 -11.082 -1.021 1.00 0.00 N ATOM 566 CA VAL A 36 76.919 -10.379 -2.271 1.00 0.00 C ATOM 567 C VAL A 36 77.936 -9.291 -1.931 1.00 0.00 C ATOM 568 O VAL A 36 78.904 -9.084 -2.636 1.00 0.00 O ATOM 569 CB VAL A 36 75.625 -9.761 -2.810 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.959 -8.635 -3.793 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.808 -10.835 -3.529 1.00 0.00 C ATOM 0 H VAL A 36 75.675 -10.726 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 36 77.380 -11.042 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 36 75.047 -9.356 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.036 -8.199 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.540 -7.867 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.539 -9.037 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.887 -10.396 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.389 -11.241 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.564 -11.635 -2.830 1.00 0.00 H new ATOM 581 N PHE A 37 77.717 -8.594 -0.852 1.00 0.00 N ATOM 582 CA PHE A 37 78.653 -7.519 -0.455 1.00 0.00 C ATOM 583 C PHE A 37 79.611 -8.024 0.629 1.00 0.00 C ATOM 584 O PHE A 37 79.825 -7.375 1.633 1.00 0.00 O ATOM 585 CB PHE A 37 77.745 -6.425 0.094 1.00 0.00 C ATOM 586 CG PHE A 37 76.819 -5.949 -1.000 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.348 -5.394 -2.172 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.434 -6.065 -0.844 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.490 -4.956 -3.188 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.575 -5.628 -1.859 1.00 0.00 C ATOM 591 CZ PHE A 37 75.103 -5.073 -3.031 1.00 0.00 C ATOM 0 H PHE A 37 76.922 -8.728 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 37 79.275 -7.170 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.167 -6.805 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.343 -5.594 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.418 -5.304 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.027 -6.492 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.897 -4.528 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.506 -5.719 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.441 -4.735 -3.814 1.00 0.00 H new ATOM 601 N GLU A 38 80.186 -9.180 0.435 1.00 0.00 N ATOM 602 CA GLU A 38 81.127 -9.726 1.456 1.00 0.00 C ATOM 603 C GLU A 38 82.291 -8.757 1.679 1.00 0.00 C ATOM 604 O GLU A 38 83.029 -8.869 2.638 1.00 0.00 O ATOM 605 CB GLU A 38 81.631 -11.043 0.865 1.00 0.00 C ATOM 606 CG GLU A 38 82.161 -11.936 1.989 1.00 0.00 C ATOM 607 CD GLU A 38 82.232 -13.384 1.500 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.771 -13.600 0.427 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.747 -14.253 2.207 1.00 0.00 O ATOM 0 H GLU A 38 80.045 -9.770 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 38 80.647 -9.870 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.824 -11.548 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.419 -10.850 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.149 -11.598 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.510 -11.867 2.860 1.00 0.00 H new ATOM 616 N ASP A 39 82.462 -7.806 0.802 1.00 0.00 N ATOM 617 CA ASP A 39 83.580 -6.833 0.967 1.00 0.00 C ATOM 618 C ASP A 39 83.129 -5.652 1.830 1.00 0.00 C ATOM 619 O ASP A 39 83.883 -4.732 2.081 1.00 0.00 O ATOM 620 CB ASP A 39 83.911 -6.365 -0.451 1.00 0.00 C ATOM 621 CG ASP A 39 85.400 -6.030 -0.544 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.194 -6.955 -0.594 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.722 -4.853 -0.563 1.00 0.00 O ATOM 0 H ASP A 39 81.877 -7.660 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 39 84.444 -7.277 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.657 -7.143 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.314 -5.489 -0.705 1.00 0.00 H new ATOM 628 N ALA A 40 81.907 -5.669 2.285 1.00 0.00 N ATOM 629 CA ALA A 40 81.412 -4.546 3.130 1.00 0.00 C ATOM 630 C ALA A 40 81.492 -4.919 4.612 1.00 0.00 C ATOM 631 O ALA A 40 81.785 -6.043 4.965 1.00 0.00 O ATOM 632 CB ALA A 40 79.957 -4.343 2.706 1.00 0.00 C ATOM 0 H ALA A 40 81.230 -6.411 2.109 1.00 0.00 H new ATOM 0 HA ALA A 40 82.006 -3.641 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.519 -3.530 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.918 -4.095 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.395 -5.259 2.885 1.00 0.00 H new ATOM 638 N LEU A 41 81.232 -3.982 5.484 1.00 0.00 N ATOM 639 CA LEU A 41 81.293 -4.278 6.940 1.00 0.00 C ATOM 640 C LEU A 41 79.926 -4.752 7.430 1.00 0.00 C ATOM 641 O LEU A 41 79.811 -5.728 8.144 1.00 0.00 O ATOM 642 CB LEU A 41 81.662 -2.958 7.628 1.00 0.00 C ATOM 643 CG LEU A 41 82.617 -2.149 6.750 1.00 0.00 C ATOM 644 CD1 LEU A 41 83.172 -0.971 7.549 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.768 -3.047 6.291 1.00 0.00 C ATOM 0 H LEU A 41 80.980 -3.022 5.248 1.00 0.00 H new ATOM 0 HA LEU A 41 82.019 -5.061 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.760 -2.379 7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.128 -3.161 8.592 1.00 0.00 H new ATOM 0 HG LEU A 41 82.081 -1.772 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.853 -0.395 6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.350 -0.333 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.709 -1.344 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.450 -2.472 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.305 -3.424 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.370 -3.885 5.719 1.00 0.00 H new ATOM 657 N GLU A 42 78.888 -4.058 7.053 1.00 0.00 N ATOM 658 CA GLU A 42 77.524 -4.457 7.499 1.00 0.00 C ATOM 659 C GLU A 42 76.472 -3.947 6.513 1.00 0.00 C ATOM 660 O GLU A 42 76.725 -3.059 5.724 1.00 0.00 O ATOM 661 CB GLU A 42 77.349 -3.793 8.865 1.00 0.00 C ATOM 662 CG GLU A 42 77.959 -4.684 9.949 1.00 0.00 C ATOM 663 CD GLU A 42 76.956 -4.859 11.091 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.776 -3.916 11.844 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.386 -5.933 11.193 1.00 0.00 O ATOM 0 H GLU A 42 78.925 -3.232 6.456 1.00 0.00 H new ATOM 0 HA GLU A 42 77.405 -5.539 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.831 -2.815 8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.291 -3.628 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.222 -5.655 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.880 -4.238 10.325 1.00 0.00 H new ATOM 672 N ILE A 43 75.294 -4.504 6.552 1.00 0.00 N ATOM 673 CA ILE A 43 74.226 -4.053 5.616 1.00 0.00 C ATOM 674 C ILE A 43 72.881 -3.980 6.339 1.00 0.00 C ATOM 675 O ILE A 43 72.593 -4.764 7.221 1.00 0.00 O ATOM 676 CB ILE A 43 74.180 -5.118 4.523 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.522 -5.154 3.790 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.064 -4.783 3.532 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.451 -6.162 2.642 1.00 0.00 C ATOM 0 H ILE A 43 75.024 -5.252 7.191 1.00 0.00 H new ATOM 0 HA ILE A 43 74.427 -3.060 5.214 1.00 0.00 H new ATOM 0 HB ILE A 43 73.986 -6.092 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.764 -4.164 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.318 -5.430 4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.030 -5.543 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.108 -4.758 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.257 -3.809 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.408 -6.187 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.229 -7.152 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.666 -5.866 1.946 1.00 0.00 H new ATOM 691 N ARG A 44 72.055 -3.045 5.966 1.00 0.00 N ATOM 692 CA ARG A 44 70.728 -2.915 6.616 1.00 0.00 C ATOM 693 C ARG A 44 69.638 -3.187 5.570 1.00 0.00 C ATOM 694 O ARG A 44 69.907 -3.231 4.388 1.00 0.00 O ATOM 695 CB ARG A 44 70.715 -1.466 7.128 1.00 0.00 C ATOM 696 CG ARG A 44 69.323 -0.839 6.996 1.00 0.00 C ATOM 697 CD ARG A 44 68.424 -1.335 8.131 1.00 0.00 C ATOM 698 NE ARG A 44 68.631 -0.358 9.236 1.00 0.00 N ATOM 699 CZ ARG A 44 67.918 -0.446 10.326 1.00 0.00 C ATOM 700 NH1 ARG A 44 66.615 -0.417 10.256 1.00 0.00 N ATOM 701 NH2 ARG A 44 68.507 -0.560 11.484 1.00 0.00 N ATOM 0 H ARG A 44 72.246 -2.361 5.233 1.00 0.00 H new ATOM 0 HA ARG A 44 70.546 -3.617 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.028 -1.445 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.437 -0.874 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.399 0.248 7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.886 -1.100 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 44 67.379 -1.367 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 44 68.697 -2.344 8.439 1.00 0.00 H new ATOM 0 HE ARG A 44 69.329 0.379 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 44 66.155 -0.326 9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 44 66.057 -0.486 11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 44 69.525 -0.580 11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 44 67.949 -0.629 12.335 1.00 0.00 H new ATOM 715 N LEU A 45 68.419 -3.370 5.990 1.00 0.00 N ATOM 716 CA LEU A 45 67.331 -3.641 5.009 1.00 0.00 C ATOM 717 C LEU A 45 66.316 -2.501 5.023 1.00 0.00 C ATOM 718 O LEU A 45 66.308 -1.676 5.915 1.00 0.00 O ATOM 719 CB LEU A 45 66.683 -4.943 5.484 1.00 0.00 C ATOM 720 CG LEU A 45 66.772 -5.992 4.375 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.133 -7.297 4.853 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.029 -5.486 3.136 1.00 0.00 C ATOM 0 H LEU A 45 68.128 -3.344 6.967 1.00 0.00 H new ATOM 0 HA LEU A 45 67.705 -3.722 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.184 -5.304 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.641 -4.767 5.750 1.00 0.00 H new ATOM 0 HG LEU A 45 67.818 -6.170 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.197 -8.044 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.660 -7.658 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.087 -7.120 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.091 -6.233 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.983 -5.309 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.483 -4.556 2.794 1.00 0.00 H new ATOM 734 N VAL A 46 65.460 -2.443 4.044 1.00 0.00 N ATOM 735 CA VAL A 46 64.452 -1.352 4.011 1.00 0.00 C ATOM 736 C VAL A 46 63.215 -1.775 3.218 1.00 0.00 C ATOM 737 O VAL A 46 63.297 -2.235 2.082 1.00 0.00 O ATOM 738 CB VAL A 46 65.154 -0.178 3.344 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.121 0.894 2.994 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.187 0.399 4.311 1.00 0.00 C ATOM 0 H VAL A 46 65.415 -3.102 3.267 1.00 0.00 H new ATOM 0 HA VAL A 46 64.099 -1.096 5.010 1.00 0.00 H new ATOM 0 HB VAL A 46 65.652 -0.510 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.619 1.737 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.380 0.476 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.626 1.233 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.695 1.241 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.687 0.738 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 46 66.917 -0.370 4.565 1.00 0.00 H new ATOM 750 N SER A 47 62.071 -1.624 3.827 1.00 0.00 N ATOM 751 CA SER A 47 60.793 -2.008 3.174 1.00 0.00 C ATOM 752 C SER A 47 59.866 -0.794 3.071 1.00 0.00 C ATOM 753 O SER A 47 60.295 0.338 3.168 1.00 0.00 O ATOM 754 CB SER A 47 60.197 -3.045 4.120 1.00 0.00 C ATOM 755 OG SER A 47 59.819 -2.409 5.333 1.00 0.00 O ATOM 0 H SER A 47 61.969 -1.243 4.768 1.00 0.00 H new ATOM 0 HA SER A 47 60.932 -2.387 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.331 -3.520 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.924 -3.833 4.320 1.00 0.00 H new ATOM 0 HG SER A 47 59.434 -3.072 5.944 1.00 0.00 H new ATOM 819 N SER A 52 58.851 -5.070 1.714 1.00 0.00 N ATOM 820 CA SER A 52 58.356 -5.152 0.320 1.00 0.00 C ATOM 821 C SER A 52 58.937 -4.028 -0.546 1.00 0.00 C ATOM 822 O SER A 52 58.453 -3.771 -1.631 1.00 0.00 O ATOM 823 CB SER A 52 56.849 -4.991 0.455 1.00 0.00 C ATOM 824 OG SER A 52 56.206 -5.585 -0.665 1.00 0.00 O ATOM 0 HA SER A 52 58.645 -6.084 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 52 56.504 -5.460 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 52 56.590 -3.934 0.518 1.00 0.00 H new ATOM 0 HG SER A 52 56.663 -5.311 -1.488 1.00 0.00 H new ATOM 830 N LYS A 53 59.975 -3.360 -0.107 1.00 0.00 N ATOM 831 CA LYS A 53 60.554 -2.287 -0.950 1.00 0.00 C ATOM 832 C LYS A 53 61.886 -2.771 -1.512 1.00 0.00 C ATOM 833 O LYS A 53 62.546 -2.084 -2.267 1.00 0.00 O ATOM 834 CB LYS A 53 60.752 -1.099 -0.008 1.00 0.00 C ATOM 835 CG LYS A 53 60.617 0.206 -0.795 1.00 0.00 C ATOM 836 CD LYS A 53 59.927 1.259 0.075 1.00 0.00 C ATOM 837 CE LYS A 53 58.794 1.914 -0.719 1.00 0.00 C ATOM 838 NZ LYS A 53 58.158 2.865 0.235 1.00 0.00 N ATOM 0 H LYS A 53 60.437 -3.514 0.789 1.00 0.00 H new ATOM 0 HA LYS A 53 59.921 -2.014 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 53 60.014 -1.130 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.735 -1.153 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 53 61.601 0.561 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.041 0.036 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 53 59.532 0.797 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.647 2.014 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 53 59.176 2.433 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.079 1.171 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 57.370 3.354 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 57.798 2.342 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.861 3.564 0.549 1.00 0.00 H new ATOM 852 N GLY A 54 62.285 -3.961 -1.149 1.00 0.00 N ATOM 853 CA GLY A 54 63.569 -4.496 -1.652 1.00 0.00 C ATOM 854 C GLY A 54 64.661 -3.463 -1.413 1.00 0.00 C ATOM 855 O GLY A 54 65.621 -3.383 -2.155 1.00 0.00 O ATOM 0 H GLY A 54 61.771 -4.582 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.814 -5.428 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.492 -4.724 -2.715 1.00 0.00 H new ATOM 859 N ILE A 55 64.536 -2.662 -0.386 1.00 0.00 N ATOM 860 CA ILE A 55 65.597 -1.646 -0.139 1.00 0.00 C ATOM 861 C ILE A 55 66.511 -2.113 0.995 1.00 0.00 C ATOM 862 O ILE A 55 66.139 -2.945 1.796 1.00 0.00 O ATOM 863 CB ILE A 55 64.852 -0.369 0.248 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.852 -0.003 -0.851 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.855 0.772 0.410 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.529 -0.103 -2.218 1.00 0.00 C ATOM 0 H ILE A 55 63.762 -2.667 0.278 1.00 0.00 H new ATOM 0 HA ILE A 55 66.231 -1.486 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 55 64.321 -0.532 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.992 -0.671 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.477 1.008 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.327 1.684 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.572 0.518 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.383 0.929 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.814 0.158 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 65.375 0.584 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.882 -1.122 -2.376 1.00 0.00 H new ATOM 878 N ALA A 56 67.710 -1.597 1.066 1.00 0.00 N ATOM 879 CA ALA A 56 68.635 -2.030 2.152 1.00 0.00 C ATOM 880 C ALA A 56 69.838 -1.091 2.229 1.00 0.00 C ATOM 881 O ALA A 56 70.302 -0.582 1.231 1.00 0.00 O ATOM 882 CB ALA A 56 69.080 -3.435 1.748 1.00 0.00 C ATOM 0 H ALA A 56 68.086 -0.900 0.424 1.00 0.00 H new ATOM 0 HA ALA A 56 68.159 -2.015 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.766 -3.829 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.209 -4.086 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.583 -3.394 0.782 1.00 0.00 H new ATOM 888 N TYR A 57 70.359 -0.865 3.402 1.00 0.00 N ATOM 889 CA TYR A 57 71.544 0.030 3.521 1.00 0.00 C ATOM 890 C TYR A 57 72.818 -0.814 3.492 1.00 0.00 C ATOM 891 O TYR A 57 72.803 -1.981 3.828 1.00 0.00 O ATOM 892 CB TYR A 57 71.387 0.738 4.866 1.00 0.00 C ATOM 893 CG TYR A 57 71.122 2.205 4.634 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.180 3.066 4.313 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.818 2.706 4.735 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.933 4.426 4.096 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.573 4.066 4.517 1.00 0.00 C ATOM 898 CZ TYR A 57 70.629 4.927 4.197 1.00 0.00 C ATOM 899 OH TYR A 57 70.387 6.269 3.982 1.00 0.00 O ATOM 0 H TYR A 57 70.018 -1.259 4.279 1.00 0.00 H new ATOM 0 HA TYR A 57 71.612 0.750 2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.566 0.294 5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.290 0.611 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.186 2.680 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.002 2.043 4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.749 5.090 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.567 4.452 4.596 1.00 0.00 H new ATOM 0 HH TYR A 57 69.430 6.450 4.090 1.00 0.00 H new ATOM 909 N ILE A 58 73.915 -0.246 3.080 1.00 0.00 N ATOM 910 CA ILE A 58 75.174 -1.042 3.019 1.00 0.00 C ATOM 911 C ILE A 58 76.379 -0.154 3.341 1.00 0.00 C ATOM 912 O ILE A 58 76.587 0.874 2.727 1.00 0.00 O ATOM 913 CB ILE A 58 75.247 -1.555 1.575 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.843 -1.943 1.091 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.154 -2.784 1.514 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.947 -2.743 -0.208 1.00 0.00 C ATOM 0 H ILE A 58 73.996 0.727 2.785 1.00 0.00 H new ATOM 0 HA ILE A 58 75.184 -1.858 3.741 1.00 0.00 H new ATOM 0 HB ILE A 58 75.649 -0.768 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.336 -2.534 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.243 -1.047 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.205 -3.148 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.154 -2.515 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.750 -3.566 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.948 -3.016 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.437 -2.137 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.531 -3.647 -0.033 1.00 0.00 H new ATOM 928 N GLU A 59 77.175 -0.541 4.302 1.00 0.00 N ATOM 929 CA GLU A 59 78.363 0.281 4.663 1.00 0.00 C ATOM 930 C GLU A 59 79.639 -0.549 4.515 1.00 0.00 C ATOM 931 O GLU A 59 79.841 -1.523 5.213 1.00 0.00 O ATOM 932 CB GLU A 59 78.143 0.680 6.125 1.00 0.00 C ATOM 933 CG GLU A 59 77.603 -0.515 6.917 1.00 0.00 C ATOM 934 CD GLU A 59 78.188 -0.498 8.330 1.00 0.00 C ATOM 935 OE1 GLU A 59 79.398 -0.604 8.450 1.00 0.00 O ATOM 936 OE2 GLU A 59 77.417 -0.377 9.268 1.00 0.00 O ATOM 0 H GLU A 59 77.053 -1.391 4.852 1.00 0.00 H new ATOM 0 HA GLU A 59 78.475 1.153 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 59 79.081 1.023 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.441 1.512 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.515 -0.473 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.865 -1.446 6.415 1.00 0.00 H new ATOM 943 N PHE A 60 80.503 -0.175 3.610 1.00 0.00 N ATOM 944 CA PHE A 60 81.761 -0.951 3.421 1.00 0.00 C ATOM 945 C PHE A 60 82.889 -0.353 4.262 1.00 0.00 C ATOM 946 O PHE A 60 82.721 0.647 4.931 1.00 0.00 O ATOM 947 CB PHE A 60 82.087 -0.839 1.934 1.00 0.00 C ATOM 948 CG PHE A 60 81.031 -1.562 1.132 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.735 -1.040 1.047 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.348 -2.757 0.476 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.756 -1.712 0.305 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.368 -3.430 -0.266 1.00 0.00 C ATOM 953 CZ PHE A 60 79.073 -2.908 -0.351 1.00 0.00 C ATOM 0 H PHE A 60 80.392 0.632 2.996 1.00 0.00 H new ATOM 0 HA PHE A 60 81.648 -1.989 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.130 0.209 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.069 -1.267 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.490 -0.118 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.348 -3.160 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.757 -1.308 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.613 -4.352 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.318 -3.427 -0.922 1.00 0.00 H new ATOM 963 N LYS A 61 84.036 -0.968 4.235 1.00 0.00 N ATOM 964 CA LYS A 61 85.185 -0.453 5.034 1.00 0.00 C ATOM 965 C LYS A 61 85.747 0.819 4.398 1.00 0.00 C ATOM 966 O LYS A 61 86.429 1.596 5.037 1.00 0.00 O ATOM 967 CB LYS A 61 86.226 -1.573 5.000 1.00 0.00 C ATOM 968 CG LYS A 61 87.095 -1.502 6.256 1.00 0.00 C ATOM 969 CD LYS A 61 88.224 -2.529 6.154 1.00 0.00 C ATOM 970 CE LYS A 61 88.497 -3.126 7.538 1.00 0.00 C ATOM 971 NZ LYS A 61 89.903 -2.744 7.849 1.00 0.00 N ATOM 0 H LYS A 61 84.230 -1.809 3.692 1.00 0.00 H new ATOM 0 HA LYS A 61 84.895 -0.196 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.731 -2.542 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.847 -1.479 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.509 -0.500 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.490 -1.698 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.950 -3.318 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 61 89.126 -2.056 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 61 87.806 -2.730 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.374 -4.209 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.165 -3.117 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.538 -3.140 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.988 -1.708 7.854 1.00 0.00 H new ATOM 985 N SER A 62 85.469 1.036 3.145 1.00 0.00 N ATOM 986 CA SER A 62 85.988 2.257 2.468 1.00 0.00 C ATOM 987 C SER A 62 85.240 2.494 1.156 1.00 0.00 C ATOM 988 O SER A 62 84.628 1.598 0.605 1.00 0.00 O ATOM 989 CB SER A 62 87.464 1.962 2.197 1.00 0.00 C ATOM 990 OG SER A 62 87.687 0.561 2.282 1.00 0.00 O ATOM 0 H SER A 62 84.905 0.421 2.559 1.00 0.00 H new ATOM 0 HA SER A 62 85.855 3.153 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.744 2.327 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.090 2.486 2.919 1.00 0.00 H new ATOM 0 HG SER A 62 88.632 0.369 2.107 1.00 0.00 H new ATOM 996 N GLU A 63 85.284 3.695 0.649 1.00 0.00 N ATOM 997 CA GLU A 63 84.577 3.990 -0.627 1.00 0.00 C ATOM 998 C GLU A 63 85.026 3.010 -1.713 1.00 0.00 C ATOM 999 O GLU A 63 84.255 2.619 -2.564 1.00 0.00 O ATOM 1000 CB GLU A 63 84.988 5.418 -0.987 1.00 0.00 C ATOM 1001 CG GLU A 63 84.643 5.696 -2.452 1.00 0.00 C ATOM 1002 CD GLU A 63 83.730 6.919 -2.538 1.00 0.00 C ATOM 1003 OE1 GLU A 63 83.992 7.882 -1.836 1.00 0.00 O ATOM 1004 OE2 GLU A 63 82.781 6.873 -3.305 1.00 0.00 O ATOM 0 H GLU A 63 85.779 4.484 1.064 1.00 0.00 H new ATOM 0 HA GLU A 63 83.495 3.891 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.474 6.129 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 63 86.057 5.552 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.554 5.868 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.150 4.829 -2.891 1.00 0.00 H new ATOM 1011 N ALA A 64 86.268 2.608 -1.689 1.00 0.00 N ATOM 1012 CA ALA A 64 86.757 1.654 -2.718 1.00 0.00 C ATOM 1013 C ALA A 64 86.010 0.329 -2.588 1.00 0.00 C ATOM 1014 O ALA A 64 85.602 -0.264 -3.567 1.00 0.00 O ATOM 1015 CB ALA A 64 88.245 1.470 -2.420 1.00 0.00 C ATOM 0 H ALA A 64 86.962 2.900 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 64 86.595 2.016 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.677 0.776 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.752 2.432 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.368 1.070 -1.413 1.00 0.00 H new ATOM 1021 N ASP A 65 85.810 -0.130 -1.386 1.00 0.00 N ATOM 1022 CA ASP A 65 85.070 -1.406 -1.198 1.00 0.00 C ATOM 1023 C ASP A 65 83.611 -1.188 -1.590 1.00 0.00 C ATOM 1024 O ASP A 65 83.059 -1.896 -2.412 1.00 0.00 O ATOM 1025 CB ASP A 65 85.188 -1.726 0.293 1.00 0.00 C ATOM 1026 CG ASP A 65 86.566 -2.326 0.578 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.305 -2.539 -0.368 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.858 -2.563 1.739 1.00 0.00 O ATOM 0 H ASP A 65 86.126 0.322 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 65 85.462 -2.221 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.045 -0.821 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.406 -2.426 0.589 1.00 0.00 H new ATOM 1033 N ALA A 66 82.988 -0.194 -1.019 1.00 0.00 N ATOM 1034 CA ALA A 66 81.570 0.091 -1.367 1.00 0.00 C ATOM 1035 C ALA A 66 81.466 0.449 -2.851 1.00 0.00 C ATOM 1036 O ALA A 66 80.486 0.148 -3.504 1.00 0.00 O ATOM 1037 CB ALA A 66 81.181 1.286 -0.494 1.00 0.00 C ATOM 0 H ALA A 66 83.400 0.432 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 66 80.915 -0.763 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.145 1.559 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.292 1.020 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.829 2.131 -0.724 1.00 0.00 H new ATOM 1043 N GLU A 67 82.471 1.085 -3.394 1.00 0.00 N ATOM 1044 CA GLU A 67 82.427 1.454 -4.835 1.00 0.00 C ATOM 1045 C GLU A 67 82.656 0.211 -5.697 1.00 0.00 C ATOM 1046 O GLU A 67 81.908 -0.068 -6.614 1.00 0.00 O ATOM 1047 CB GLU A 67 83.564 2.459 -5.028 1.00 0.00 C ATOM 1048 CG GLU A 67 83.743 2.748 -6.519 1.00 0.00 C ATOM 1049 CD GLU A 67 83.556 4.244 -6.776 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.849 4.873 -6.006 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.125 4.737 -7.737 1.00 0.00 O ATOM 0 H GLU A 67 83.319 1.364 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 67 81.465 1.875 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.342 3.382 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.489 2.062 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.735 2.434 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.020 2.175 -7.100 1.00 0.00 H new ATOM 1058 N LYS A 68 83.679 -0.544 -5.403 1.00 0.00 N ATOM 1059 CA LYS A 68 83.947 -1.773 -6.200 1.00 0.00 C ATOM 1060 C LYS A 68 82.731 -2.693 -6.129 1.00 0.00 C ATOM 1061 O LYS A 68 82.365 -3.333 -7.095 1.00 0.00 O ATOM 1062 CB LYS A 68 85.158 -2.427 -5.532 1.00 0.00 C ATOM 1063 CG LYS A 68 85.414 -3.795 -6.166 1.00 0.00 C ATOM 1064 CD LYS A 68 85.725 -3.620 -7.655 1.00 0.00 C ATOM 1065 CE LYS A 68 87.063 -4.287 -7.980 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.822 -5.745 -7.794 1.00 0.00 N ATOM 0 H LYS A 68 84.339 -0.363 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 68 84.138 -1.561 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.036 -1.792 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.981 -2.538 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.247 -4.289 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.541 -4.435 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.931 -4.061 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 68 85.764 -2.560 -7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.377 -4.066 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.853 -3.930 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.496 -6.285 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.950 -5.993 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 85.851 -5.977 -8.087 1.00 0.00 H new ATOM 1080 N ASN A 69 82.097 -2.753 -4.992 1.00 0.00 N ATOM 1081 CA ASN A 69 80.896 -3.621 -4.855 1.00 0.00 C ATOM 1082 C ASN A 69 79.686 -2.937 -5.497 1.00 0.00 C ATOM 1083 O ASN A 69 78.937 -3.543 -6.236 1.00 0.00 O ATOM 1084 CB ASN A 69 80.693 -3.772 -3.349 1.00 0.00 C ATOM 1085 CG ASN A 69 81.256 -5.117 -2.890 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.518 -5.985 -2.466 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.541 -5.329 -2.960 1.00 0.00 N ATOM 0 H ASN A 69 82.359 -2.238 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 69 81.016 -4.586 -5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.191 -2.958 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.632 -3.708 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.927 -6.224 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.159 -4.600 -3.316 1.00 0.00 H new ATOM 1094 N LEU A 70 79.492 -1.676 -5.223 1.00 0.00 N ATOM 1095 CA LEU A 70 78.333 -0.953 -5.820 1.00 0.00 C ATOM 1096 C LEU A 70 78.445 -0.941 -7.346 1.00 0.00 C ATOM 1097 O LEU A 70 77.463 -0.830 -8.049 1.00 0.00 O ATOM 1098 CB LEU A 70 78.419 0.468 -5.263 1.00 0.00 C ATOM 1099 CG LEU A 70 77.438 1.372 -6.013 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.335 1.831 -5.059 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.183 2.593 -6.555 1.00 0.00 C ATOM 0 H LEU A 70 80.086 -1.115 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 70 77.382 -1.427 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.187 0.467 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.435 0.850 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 70 76.995 0.819 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.636 2.475 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 70 75.804 0.962 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.777 2.384 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.485 3.237 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.626 3.146 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.969 2.267 -7.236 1.00 0.00 H new ATOM 1113 N GLU A 71 79.637 -1.054 -7.863 1.00 0.00 N ATOM 1114 CA GLU A 71 79.807 -1.048 -9.344 1.00 0.00 C ATOM 1115 C GLU A 71 79.986 -2.478 -9.863 1.00 0.00 C ATOM 1116 O GLU A 71 79.518 -2.825 -10.929 1.00 0.00 O ATOM 1117 CB GLU A 71 81.070 -0.224 -9.597 1.00 0.00 C ATOM 1118 CG GLU A 71 80.680 1.200 -9.999 1.00 0.00 C ATOM 1119 CD GLU A 71 81.277 1.527 -11.369 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.418 0.613 -12.165 1.00 0.00 O ATOM 1121 OE2 GLU A 71 81.583 2.685 -11.599 1.00 0.00 O ATOM 0 H GLU A 71 80.499 -1.150 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 71 78.940 -0.631 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.689 -0.203 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.666 -0.685 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 71 79.595 1.295 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.040 1.910 -9.255 1.00 0.00 H new ATOM 1128 N GLU A 72 80.668 -3.306 -9.121 1.00 0.00 N ATOM 1129 CA GLU A 72 80.888 -4.703 -9.570 1.00 0.00 C ATOM 1130 C GLU A 72 79.796 -5.629 -9.024 1.00 0.00 C ATOM 1131 O GLU A 72 79.804 -6.819 -9.269 1.00 0.00 O ATOM 1132 CB GLU A 72 82.252 -5.090 -8.999 1.00 0.00 C ATOM 1133 CG GLU A 72 82.763 -6.348 -9.704 1.00 0.00 C ATOM 1134 CD GLU A 72 83.162 -7.392 -8.659 1.00 0.00 C ATOM 1135 OE1 GLU A 72 82.351 -7.671 -7.790 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.269 -7.894 -8.745 1.00 0.00 O ATOM 0 H GLU A 72 81.083 -3.071 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 72 80.855 -4.791 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.960 -4.272 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.172 -5.269 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.990 -6.750 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.618 -6.103 -10.334 1.00 0.00 H new ATOM 1143 N LYS A 73 78.857 -5.101 -8.285 1.00 0.00 N ATOM 1144 CA LYS A 73 77.777 -5.970 -7.730 1.00 0.00 C ATOM 1145 C LYS A 73 76.396 -5.432 -8.118 1.00 0.00 C ATOM 1146 O LYS A 73 75.441 -6.175 -8.208 1.00 0.00 O ATOM 1147 CB LYS A 73 77.969 -5.922 -6.214 1.00 0.00 C ATOM 1148 CG LYS A 73 77.695 -7.305 -5.621 1.00 0.00 C ATOM 1149 CD LYS A 73 78.646 -8.326 -6.248 1.00 0.00 C ATOM 1150 CE LYS A 73 79.628 -8.830 -5.188 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.825 -9.276 -5.955 1.00 0.00 N ATOM 0 H LYS A 73 78.790 -4.113 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 73 77.832 -6.988 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.985 -5.607 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.295 -5.186 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.830 -7.282 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.660 -7.594 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.079 -9.161 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.190 -7.871 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.884 -8.042 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.200 -9.650 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.577 -9.556 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.571 -10.087 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.164 -8.496 -6.554 1.00 0.00 H new ATOM 1165 N GLN A 74 76.285 -4.149 -8.345 1.00 0.00 N ATOM 1166 CA GLN A 74 74.967 -3.559 -8.726 1.00 0.00 C ATOM 1167 C GLN A 74 74.240 -4.484 -9.705 1.00 0.00 C ATOM 1168 O GLN A 74 74.436 -4.421 -10.902 1.00 0.00 O ATOM 1169 CB GLN A 74 75.305 -2.227 -9.396 1.00 0.00 C ATOM 1170 CG GLN A 74 74.090 -1.721 -10.177 1.00 0.00 C ATOM 1171 CD GLN A 74 73.745 -0.302 -9.722 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.611 -0.015 -9.395 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.684 0.605 -9.687 1.00 0.00 N ATOM 0 H GLN A 74 77.054 -3.482 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 74 74.310 -3.425 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.597 -1.494 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.155 -2.351 -10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.302 -1.730 -11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.239 -2.383 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.636 0.364 -9.962 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.465 1.554 -9.385 1.00 0.00 H new ATOM 1182 N GLY A 75 73.407 -5.343 -9.196 1.00 0.00 N ATOM 1183 CA GLY A 75 72.664 -6.282 -10.081 1.00 0.00 C ATOM 1184 C GLY A 75 72.561 -7.645 -9.396 1.00 0.00 C ATOM 1185 O GLY A 75 71.489 -8.090 -9.045 1.00 0.00 O ATOM 0 H GLY A 75 73.206 -5.437 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.668 -5.891 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.176 -6.381 -11.038 1.00 0.00 H new ATOM 1189 N ALA A 76 73.672 -8.305 -9.199 1.00 0.00 N ATOM 1190 CA ALA A 76 73.653 -9.640 -8.529 1.00 0.00 C ATOM 1191 C ALA A 76 72.422 -10.446 -8.957 1.00 0.00 C ATOM 1192 O ALA A 76 71.355 -10.316 -8.389 1.00 0.00 O ATOM 1193 CB ALA A 76 73.593 -9.330 -7.033 1.00 0.00 C ATOM 0 H ALA A 76 74.597 -7.975 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 76 74.525 -10.239 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.576 -10.262 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.469 -8.748 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 76 72.691 -8.758 -6.816 1.00 0.00 H new ATOM 1199 N GLU A 77 72.559 -11.280 -9.951 1.00 0.00 N ATOM 1200 CA GLU A 77 71.393 -12.090 -10.406 1.00 0.00 C ATOM 1201 C GLU A 77 70.953 -13.048 -9.295 1.00 0.00 C ATOM 1202 O GLU A 77 71.477 -14.136 -9.157 1.00 0.00 O ATOM 1203 CB GLU A 77 71.903 -12.872 -11.618 1.00 0.00 C ATOM 1204 CG GLU A 77 70.838 -12.866 -12.716 1.00 0.00 C ATOM 1205 CD GLU A 77 71.436 -13.417 -14.012 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.303 -12.762 -14.565 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.017 -14.484 -14.428 1.00 0.00 O ATOM 0 H GLU A 77 73.425 -11.436 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 77 70.530 -11.472 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.826 -12.426 -11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.138 -13.897 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.984 -13.471 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.471 -11.852 -12.875 1.00 0.00 H new ATOM 1214 N ILE A 78 69.994 -12.654 -8.501 1.00 0.00 N ATOM 1215 CA ILE A 78 69.524 -13.544 -7.400 1.00 0.00 C ATOM 1216 C ILE A 78 68.006 -13.466 -7.288 1.00 0.00 C ATOM 1217 O ILE A 78 67.375 -12.634 -7.905 1.00 0.00 O ATOM 1218 CB ILE A 78 70.164 -12.996 -6.127 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.628 -12.629 -6.387 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.098 -14.058 -5.029 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.143 -11.764 -5.237 1.00 0.00 C ATOM 0 H ILE A 78 69.516 -11.755 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 78 69.795 -14.585 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 78 69.623 -12.103 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.231 -13.532 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.718 -12.091 -7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.554 -13.669 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.057 -14.314 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.636 -14.949 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.185 -11.501 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.545 -10.855 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.066 -12.319 -4.302 1.00 0.00 H new ATOM 1233 N ASP A 79 67.413 -14.318 -6.502 1.00 0.00 N ATOM 1234 CA ASP A 79 65.933 -14.279 -6.355 1.00 0.00 C ATOM 1235 C ASP A 79 65.284 -14.097 -7.728 1.00 0.00 C ATOM 1236 O ASP A 79 64.199 -13.561 -7.849 1.00 0.00 O ATOM 1237 CB ASP A 79 65.653 -13.072 -5.460 1.00 0.00 C ATOM 1238 CG ASP A 79 64.505 -13.400 -4.505 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.418 -13.672 -4.987 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.733 -13.373 -3.306 1.00 0.00 O ATOM 0 H ASP A 79 67.887 -15.038 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 79 65.530 -15.197 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.547 -12.810 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.397 -12.206 -6.070 1.00 0.00 H new ATOM 1245 N GLY A 80 65.944 -14.539 -8.762 1.00 0.00 N ATOM 1246 CA GLY A 80 65.382 -14.395 -10.128 1.00 0.00 C ATOM 1247 C GLY A 80 65.293 -12.912 -10.495 1.00 0.00 C ATOM 1248 O GLY A 80 64.545 -12.524 -11.371 1.00 0.00 O ATOM 0 H GLY A 80 66.855 -14.996 -8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.010 -14.921 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.393 -14.851 -10.175 1.00 0.00 H new ATOM 1252 N ARG A 81 66.053 -12.078 -9.836 1.00 0.00 N ATOM 1253 CA ARG A 81 66.013 -10.621 -10.147 1.00 0.00 C ATOM 1254 C ARG A 81 67.370 -9.977 -9.849 1.00 0.00 C ATOM 1255 O ARG A 81 68.169 -10.505 -9.098 1.00 0.00 O ATOM 1256 CB ARG A 81 64.939 -10.046 -9.224 1.00 0.00 C ATOM 1257 CG ARG A 81 63.644 -10.841 -9.384 1.00 0.00 C ATOM 1258 CD ARG A 81 62.482 -10.054 -8.774 1.00 0.00 C ATOM 1259 NE ARG A 81 61.412 -11.064 -8.545 1.00 0.00 N ATOM 1260 CZ ARG A 81 60.393 -11.132 -9.359 1.00 0.00 C ATOM 1261 NH1 ARG A 81 60.451 -11.899 -10.413 1.00 0.00 N ATOM 1262 NH2 ARG A 81 59.318 -10.433 -9.118 1.00 0.00 N ATOM 0 H ARG A 81 66.701 -12.345 -9.094 1.00 0.00 H new ATOM 0 HA ARG A 81 65.794 -10.432 -11.198 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.276 -10.086 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.765 -8.997 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.452 -11.034 -10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 81 63.737 -11.810 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.777 -9.573 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 81 62.143 -9.265 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 81 61.475 -11.703 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.292 -12.445 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 81 59.655 -11.953 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 81 59.274 -9.834 -8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 81 58.522 -10.486 -9.754 1.00 0.00 H new ATOM 1276 N SER A 82 67.636 -8.840 -10.431 1.00 0.00 N ATOM 1277 CA SER A 82 68.933 -8.158 -10.184 1.00 0.00 C ATOM 1278 C SER A 82 68.745 -7.020 -9.178 1.00 0.00 C ATOM 1279 O SER A 82 67.886 -6.175 -9.334 1.00 0.00 O ATOM 1280 CB SER A 82 69.349 -7.602 -11.544 1.00 0.00 C ATOM 1281 OG SER A 82 68.472 -8.092 -12.551 1.00 0.00 O ATOM 0 H SER A 82 67.007 -8.354 -11.069 1.00 0.00 H new ATOM 0 HA SER A 82 69.683 -8.831 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 82 69.324 -6.512 -11.525 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.375 -7.894 -11.768 1.00 0.00 H new ATOM 0 HG SER A 82 68.741 -7.732 -13.422 1.00 0.00 H new ATOM 1287 N VAL A 83 69.544 -6.989 -8.147 1.00 0.00 N ATOM 1288 CA VAL A 83 69.414 -5.905 -7.135 1.00 0.00 C ATOM 1289 C VAL A 83 70.232 -4.684 -7.561 1.00 0.00 C ATOM 1290 O VAL A 83 71.254 -4.804 -8.206 1.00 0.00 O ATOM 1291 CB VAL A 83 69.965 -6.502 -5.840 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.104 -5.400 -4.789 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.004 -7.578 -5.328 1.00 0.00 C ATOM 0 H VAL A 83 70.282 -7.669 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 83 68.384 -5.569 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 83 70.942 -6.947 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.497 -5.825 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.787 -4.633 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.128 -4.955 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.395 -8.005 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.028 -7.133 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.904 -8.363 -6.077 1.00 0.00 H new ATOM 1303 N SER A 84 69.788 -3.508 -7.208 1.00 0.00 N ATOM 1304 CA SER A 84 70.539 -2.282 -7.597 1.00 0.00 C ATOM 1305 C SER A 84 71.322 -1.738 -6.405 1.00 0.00 C ATOM 1306 O SER A 84 71.127 -2.151 -5.278 1.00 0.00 O ATOM 1307 CB SER A 84 69.471 -1.282 -8.035 1.00 0.00 C ATOM 1308 OG SER A 84 70.102 -0.124 -8.567 1.00 0.00 O ATOM 0 H SER A 84 68.939 -3.344 -6.668 1.00 0.00 H new ATOM 0 HA SER A 84 71.262 -2.479 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.820 -1.732 -8.784 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.841 -1.010 -7.188 1.00 0.00 H new ATOM 0 HG SER A 84 70.917 -0.386 -9.044 1.00 0.00 H new ATOM 1314 N LEU A 85 72.208 -0.815 -6.646 1.00 0.00 N ATOM 1315 CA LEU A 85 73.010 -0.241 -5.528 1.00 0.00 C ATOM 1316 C LEU A 85 73.006 1.288 -5.602 1.00 0.00 C ATOM 1317 O LEU A 85 73.394 1.873 -6.593 1.00 0.00 O ATOM 1318 CB LEU A 85 74.422 -0.788 -5.736 1.00 0.00 C ATOM 1319 CG LEU A 85 74.452 -2.269 -5.355 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.687 -2.931 -5.969 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.507 -2.398 -3.832 1.00 0.00 C ATOM 0 H LEU A 85 72.413 -0.432 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 85 72.609 -0.509 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.724 -0.662 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.134 -0.230 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 85 73.555 -2.761 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.707 -3.986 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.649 -2.837 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.586 -2.442 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.528 -3.452 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.405 -1.907 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.627 -1.927 -3.395 1.00 0.00 H new ATOM 1333 N TYR A 86 72.569 1.937 -4.558 1.00 0.00 N ATOM 1334 CA TYR A 86 72.539 3.426 -4.562 1.00 0.00 C ATOM 1335 C TYR A 86 73.543 3.974 -3.551 1.00 0.00 C ATOM 1336 O TYR A 86 73.267 4.055 -2.371 1.00 0.00 O ATOM 1337 CB TYR A 86 71.120 3.795 -4.141 1.00 0.00 C ATOM 1338 CG TYR A 86 70.160 3.471 -5.257 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.842 2.139 -5.541 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.585 4.504 -6.006 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.949 1.839 -6.576 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.693 4.205 -7.041 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.374 2.872 -7.326 1.00 0.00 C ATOM 1344 OH TYR A 86 67.494 2.576 -8.347 1.00 0.00 O ATOM 0 H TYR A 86 72.231 1.499 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 86 72.800 3.839 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.844 3.248 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.066 4.856 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.285 1.342 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.830 5.532 -5.785 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.703 0.811 -6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.251 5.002 -7.620 1.00 0.00 H new ATOM 0 HH TYR A 86 67.187 3.407 -8.765 1.00 0.00 H new ATOM 1354 N TYR A 87 74.702 4.350 -4.001 1.00 0.00 N ATOM 1355 CA TYR A 87 75.723 4.893 -3.073 1.00 0.00 C ATOM 1356 C TYR A 87 75.128 6.020 -2.228 1.00 0.00 C ATOM 1357 O TYR A 87 73.939 6.268 -2.245 1.00 0.00 O ATOM 1358 CB TYR A 87 76.822 5.436 -3.980 1.00 0.00 C ATOM 1359 CG TYR A 87 78.175 5.054 -3.432 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.529 3.704 -3.330 1.00 0.00 C ATOM 1361 CD2 TYR A 87 79.077 6.047 -3.030 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.785 3.346 -2.826 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.333 5.688 -2.526 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.687 4.337 -2.425 1.00 0.00 C ATOM 1365 OH TYR A 87 81.925 3.984 -1.930 1.00 0.00 O ATOM 0 H TYR A 87 74.988 4.304 -4.979 1.00 0.00 H new ATOM 0 HA TYR A 87 76.094 4.138 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.703 5.039 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.743 6.521 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.833 2.938 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.804 7.089 -3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.058 2.304 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.029 6.453 -2.215 1.00 0.00 H new ATOM 0 HH TYR A 87 81.893 3.968 -0.951 1.00 0.00 H new ATOM 1375 N THR A 88 75.952 6.709 -1.496 1.00 0.00 N ATOM 1376 CA THR A 88 75.446 7.829 -0.650 1.00 0.00 C ATOM 1377 C THR A 88 76.611 8.686 -0.152 1.00 0.00 C ATOM 1378 O THR A 88 76.554 9.277 0.908 1.00 0.00 O ATOM 1379 CB THR A 88 74.730 7.156 0.522 1.00 0.00 C ATOM 1380 OG1 THR A 88 75.098 5.784 0.579 1.00 0.00 O ATOM 1381 CG2 THR A 88 73.217 7.272 0.334 1.00 0.00 C ATOM 0 H THR A 88 76.958 6.547 -1.444 1.00 0.00 H new ATOM 0 HA THR A 88 74.780 8.492 -1.202 1.00 0.00 H new ATOM 0 HB THR A 88 75.017 7.648 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.063 5.710 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.709 6.792 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.935 8.324 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.927 6.783 -0.596 1.00 0.00 H new