USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 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 Single : A 18 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.855 F(o=-1.6,f=-0.85) USER MOD Single : A 25 SER OG : rot 180:sc= 1.01 USER MOD Single : A 27 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.77) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.174 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 170:sc= 0 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= -0.414 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= -0.0251 (180deg=-0.755) USER MOD Single : A 74 GLN : amide:sc= 0.483 K(o=0.48,f=-5.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0674 USER MOD Single : A 84 SER OG : rot -170:sc= -0.167 USER MOD Single : A 86 TYR OH : rot -7:sc= -1.36! USER MOD Single : A 87 TYR OH : rot -99:sc= -2.49! USER MOD Single : A 88 THR OG1 : rot 26:sc= -1.39! USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.940 8.796 3.297 1.00 0.00 N ATOM 229 CA ALA A 15 77.975 8.344 2.257 1.00 0.00 C ATOM 230 C ALA A 15 78.719 7.733 1.068 1.00 0.00 C ATOM 231 O ALA A 15 78.141 7.045 0.250 1.00 0.00 O ATOM 232 CB ALA A 15 77.232 9.610 1.830 1.00 0.00 C ATOM 0 HA ALA A 15 77.296 7.578 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.500 9.361 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.722 10.041 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.944 10.333 1.431 1.00 0.00 H new ATOM 238 N ALA A 16 79.996 7.981 0.961 1.00 0.00 N ATOM 239 CA ALA A 16 80.769 7.414 -0.182 1.00 0.00 C ATOM 240 C ALA A 16 81.052 5.932 0.051 1.00 0.00 C ATOM 241 O ALA A 16 80.840 5.105 -0.814 1.00 0.00 O ATOM 242 CB ALA A 16 82.071 8.215 -0.219 1.00 0.00 C ATOM 0 H ALA A 16 80.536 8.550 1.613 1.00 0.00 H new ATOM 0 HA ALA A 16 80.223 7.484 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.696 7.856 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.845 9.270 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.602 8.091 0.725 1.00 0.00 H new ATOM 248 N ARG A 17 81.519 5.588 1.215 1.00 0.00 N ATOM 249 CA ARG A 17 81.804 4.154 1.504 1.00 0.00 C ATOM 250 C ARG A 17 80.536 3.460 2.006 1.00 0.00 C ATOM 251 O ARG A 17 80.590 2.415 2.624 1.00 0.00 O ATOM 252 CB ARG A 17 82.885 4.163 2.589 1.00 0.00 C ATOM 253 CG ARG A 17 82.464 5.087 3.734 1.00 0.00 C ATOM 254 CD ARG A 17 83.428 6.273 3.809 1.00 0.00 C ATOM 255 NE ARG A 17 84.336 5.960 4.948 1.00 0.00 N ATOM 256 CZ ARG A 17 85.612 6.218 4.856 1.00 0.00 C ATOM 257 NH1 ARG A 17 86.014 7.357 4.363 1.00 0.00 N ATOM 258 NH2 ARG A 17 86.487 5.335 5.255 1.00 0.00 N ATOM 0 H ARG A 17 81.716 6.234 1.979 1.00 0.00 H new ATOM 0 HA ARG A 17 82.134 3.613 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.044 3.152 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.833 4.499 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.446 5.441 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.468 4.541 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.986 6.388 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.892 7.207 3.977 1.00 0.00 H new ATOM 0 HE ARG A 17 83.960 5.544 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.331 8.046 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 17 87.011 7.558 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 17 86.173 4.443 5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 17 87.484 5.537 5.183 1.00 0.00 H new ATOM 272 N THR A 18 79.391 4.033 1.740 1.00 0.00 N ATOM 273 CA THR A 18 78.118 3.403 2.197 1.00 0.00 C ATOM 274 C THR A 18 77.048 3.531 1.109 1.00 0.00 C ATOM 275 O THR A 18 76.733 4.615 0.659 1.00 0.00 O ATOM 276 CB THR A 18 77.709 4.187 3.445 1.00 0.00 C ATOM 277 OG1 THR A 18 78.766 4.150 4.393 1.00 0.00 O ATOM 278 CG2 THR A 18 76.451 3.564 4.054 1.00 0.00 C ATOM 0 H THR A 18 79.283 4.908 1.227 1.00 0.00 H new ATOM 0 HA THR A 18 78.236 2.340 2.407 1.00 0.00 H new ATOM 0 HB THR A 18 77.502 5.222 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.506 4.653 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 18 76.161 4.124 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.641 3.595 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.654 2.529 4.328 1.00 0.00 H new ATOM 286 N LEU A 19 76.488 2.432 0.682 1.00 0.00 N ATOM 287 CA LEU A 19 75.440 2.494 -0.378 1.00 0.00 C ATOM 288 C LEU A 19 74.198 1.713 0.060 1.00 0.00 C ATOM 289 O LEU A 19 74.188 1.073 1.092 1.00 0.00 O ATOM 290 CB LEU A 19 76.081 1.846 -1.606 1.00 0.00 C ATOM 291 CG LEU A 19 76.444 0.395 -1.290 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.430 -0.542 -1.949 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.843 0.096 -1.833 1.00 0.00 C ATOM 0 H LEU A 19 76.710 1.496 1.020 1.00 0.00 H new ATOM 0 HA LEU A 19 75.115 3.515 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.393 1.884 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.974 2.400 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 19 76.429 0.241 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.690 -1.576 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.433 -0.326 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.444 -0.392 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.107 -0.938 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.855 0.249 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.566 0.764 -1.364 1.00 0.00 H new ATOM 305 N LEU A 20 73.153 1.762 -0.718 1.00 0.00 N ATOM 306 CA LEU A 20 71.911 1.025 -0.346 1.00 0.00 C ATOM 307 C LEU A 20 71.472 0.113 -1.495 1.00 0.00 C ATOM 308 O LEU A 20 71.583 0.461 -2.654 1.00 0.00 O ATOM 309 CB LEU A 20 70.867 2.114 -0.093 1.00 0.00 C ATOM 310 CG LEU A 20 69.489 1.473 0.085 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.087 1.531 1.559 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.461 2.237 -0.754 1.00 0.00 C ATOM 0 H LEU A 20 73.104 2.280 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 20 72.054 0.387 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.131 2.685 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.848 2.815 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 20 69.526 0.434 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.105 1.075 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.820 0.990 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.049 2.570 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.479 1.782 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.424 3.276 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.748 2.198 -1.805 1.00 0.00 H new ATOM 324 N ALA A 21 70.970 -1.051 -1.181 1.00 0.00 N ATOM 325 CA ALA A 21 70.520 -1.982 -2.254 1.00 0.00 C ATOM 326 C ALA A 21 69.036 -1.757 -2.550 1.00 0.00 C ATOM 327 O ALA A 21 68.271 -1.384 -1.682 1.00 0.00 O ATOM 328 CB ALA A 21 70.749 -3.382 -1.686 1.00 0.00 C ATOM 0 H ALA A 21 70.852 -1.397 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 21 71.059 -1.832 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.441 -4.127 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.807 -3.513 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.163 -3.505 -0.775 1.00 0.00 H new ATOM 334 N LYS A 22 68.624 -1.978 -3.766 1.00 0.00 N ATOM 335 CA LYS A 22 67.189 -1.772 -4.113 1.00 0.00 C ATOM 336 C LYS A 22 66.745 -2.796 -5.159 1.00 0.00 C ATOM 337 O LYS A 22 67.501 -3.657 -5.560 1.00 0.00 O ATOM 338 CB LYS A 22 67.118 -0.357 -4.684 1.00 0.00 C ATOM 339 CG LYS A 22 65.855 0.339 -4.174 1.00 0.00 C ATOM 340 CD LYS A 22 65.746 1.728 -4.805 1.00 0.00 C ATOM 341 CE LYS A 22 64.400 2.356 -4.434 1.00 0.00 C ATOM 342 NZ LYS A 22 64.737 3.711 -3.914 1.00 0.00 N ATOM 0 H LYS A 22 69.217 -2.292 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 22 66.534 -1.896 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.002 0.209 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.111 -0.393 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.975 -0.254 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.887 0.423 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.562 2.361 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.838 1.655 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.741 2.418 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.881 1.762 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.864 4.204 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 65.359 3.620 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.223 4.256 -4.654 1.00 0.00 H new ATOM 356 N ASN A 23 65.523 -2.705 -5.604 1.00 0.00 N ATOM 357 CA ASN A 23 65.029 -3.672 -6.624 1.00 0.00 C ATOM 358 C ASN A 23 65.245 -5.106 -6.137 1.00 0.00 C ATOM 359 O ASN A 23 65.232 -6.044 -6.909 1.00 0.00 O ATOM 360 CB ASN A 23 65.868 -3.397 -7.871 1.00 0.00 C ATOM 361 CG ASN A 23 65.307 -4.195 -9.050 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.782 -5.385 -9.300 1.00 0.00 O flip ATOM 363 ND2 ASN A 23 64.430 -3.732 -9.749 1.00 0.00 N flip ATOM 0 H ASN A 23 64.845 -2.003 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 23 63.963 -3.559 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 23 65.858 -2.332 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.907 -3.674 -7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.059 -2.802 -9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 23 64.063 -4.273 -10.532 1.00 0.00 H new ATOM 370 N LEU A 24 65.444 -5.284 -4.859 1.00 0.00 N ATOM 371 CA LEU A 24 65.659 -6.657 -4.322 1.00 0.00 C ATOM 372 C LEU A 24 64.369 -7.473 -4.439 1.00 0.00 C ATOM 373 O LEU A 24 63.607 -7.315 -5.372 1.00 0.00 O ATOM 374 CB LEU A 24 66.038 -6.451 -2.854 1.00 0.00 C ATOM 375 CG LEU A 24 67.292 -5.580 -2.766 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.296 -4.822 -1.438 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.535 -6.468 -2.848 1.00 0.00 C ATOM 0 H LEU A 24 65.467 -4.538 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 24 66.430 -7.202 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.215 -5.977 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.217 -7.414 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 24 67.297 -4.867 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.190 -4.201 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.410 -4.190 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.291 -5.534 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.430 -5.848 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.528 -7.180 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.534 -7.009 -3.794 1.00 0.00 H new ATOM 389 N SER A 25 64.118 -8.344 -3.502 1.00 0.00 N ATOM 390 CA SER A 25 62.877 -9.169 -3.566 1.00 0.00 C ATOM 391 C SER A 25 62.366 -9.464 -2.154 1.00 0.00 C ATOM 392 O SER A 25 63.007 -9.147 -1.172 1.00 0.00 O ATOM 393 CB SER A 25 63.296 -10.459 -4.268 1.00 0.00 C ATOM 394 OG SER A 25 63.397 -11.506 -3.312 1.00 0.00 O ATOM 0 H SER A 25 64.717 -8.521 -2.695 1.00 0.00 H new ATOM 0 HA SER A 25 62.070 -8.663 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 25 62.568 -10.721 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.252 -10.318 -4.771 1.00 0.00 H new ATOM 0 HG SER A 25 63.664 -12.335 -3.762 1.00 0.00 H new ATOM 400 N PHE A 26 61.217 -10.072 -2.045 1.00 0.00 N ATOM 401 CA PHE A 26 60.669 -10.391 -0.700 1.00 0.00 C ATOM 402 C PHE A 26 61.426 -11.575 -0.094 1.00 0.00 C ATOM 403 O PHE A 26 61.348 -11.837 1.090 1.00 0.00 O ATOM 404 CB PHE A 26 59.208 -10.755 -0.953 1.00 0.00 C ATOM 405 CG PHE A 26 58.323 -9.599 -0.556 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.352 -8.410 -1.297 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.474 -9.712 0.551 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.533 -7.336 -0.931 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.653 -8.638 0.917 1.00 0.00 C ATOM 410 CZ PHE A 26 56.683 -7.450 0.176 1.00 0.00 C ATOM 0 H PHE A 26 60.635 -10.361 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 26 60.766 -9.562 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.059 -10.995 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.940 -11.644 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.007 -8.322 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.452 -10.628 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.556 -6.420 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.997 -8.726 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.050 -6.621 0.458 1.00 0.00 H new ATOM 420 N ASN A 27 62.162 -12.294 -0.900 1.00 0.00 N ATOM 421 CA ASN A 27 62.925 -13.456 -0.377 1.00 0.00 C ATOM 422 C ASN A 27 64.331 -13.018 0.035 1.00 0.00 C ATOM 423 O ASN A 27 64.839 -13.413 1.066 1.00 0.00 O ATOM 424 CB ASN A 27 62.987 -14.446 -1.541 1.00 0.00 C ATOM 425 CG ASN A 27 63.291 -15.846 -1.007 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.740 -16.261 -0.006 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.152 -16.598 -1.636 1.00 0.00 N ATOM 0 H ASN A 27 62.265 -12.123 -1.900 1.00 0.00 H new ATOM 0 HA ASN A 27 62.459 -13.896 0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.040 -14.449 -2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.756 -14.141 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.362 -17.533 -1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.615 -16.251 -2.476 1.00 0.00 H new ATOM 434 N ILE A 28 64.965 -12.201 -0.762 1.00 0.00 N ATOM 435 CA ILE A 28 66.336 -11.735 -0.414 1.00 0.00 C ATOM 436 C ILE A 28 66.372 -11.288 1.053 1.00 0.00 C ATOM 437 O ILE A 28 65.354 -11.219 1.714 1.00 0.00 O ATOM 438 CB ILE A 28 66.613 -10.573 -1.389 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.693 -11.002 -2.383 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.091 -9.319 -0.644 1.00 0.00 C ATOM 441 CD1 ILE A 28 67.085 -11.936 -3.428 1.00 0.00 C ATOM 0 H ILE A 28 64.592 -11.837 -1.639 1.00 0.00 H new ATOM 0 HA ILE A 28 67.096 -12.510 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 28 65.685 -10.332 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.123 -10.126 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.505 -11.506 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.277 -8.519 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.325 -9.002 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.011 -9.545 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 28 67.856 -12.241 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 28 66.676 -12.818 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 28 66.288 -11.417 -3.961 1.00 0.00 H new ATOM 453 N THR A 29 67.533 -10.985 1.565 1.00 0.00 N ATOM 454 CA THR A 29 67.624 -10.546 2.990 1.00 0.00 C ATOM 455 C THR A 29 69.040 -10.063 3.315 1.00 0.00 C ATOM 456 O THR A 29 69.950 -10.189 2.519 1.00 0.00 O ATOM 457 CB THR A 29 67.293 -11.795 3.809 1.00 0.00 C ATOM 458 OG1 THR A 29 67.598 -12.953 3.044 1.00 0.00 O ATOM 459 CG2 THR A 29 65.807 -11.795 4.174 1.00 0.00 C ATOM 0 H THR A 29 68.420 -11.021 1.063 1.00 0.00 H new ATOM 0 HA THR A 29 66.949 -9.718 3.205 1.00 0.00 H new ATOM 0 HB THR A 29 67.885 -11.797 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.388 -13.755 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.576 -12.686 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.577 -10.907 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.209 -11.792 3.263 1.00 0.00 H new ATOM 467 N GLU A 30 69.234 -9.517 4.486 1.00 0.00 N ATOM 468 CA GLU A 30 70.593 -9.037 4.866 1.00 0.00 C ATOM 469 C GLU A 30 71.607 -10.158 4.647 1.00 0.00 C ATOM 470 O GLU A 30 72.723 -9.928 4.225 1.00 0.00 O ATOM 471 CB GLU A 30 70.493 -8.679 6.349 1.00 0.00 C ATOM 472 CG GLU A 30 70.942 -7.232 6.559 1.00 0.00 C ATOM 473 CD GLU A 30 71.477 -7.065 7.983 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.319 -7.856 8.374 1.00 0.00 O ATOM 475 OE2 GLU A 30 71.036 -6.149 8.658 1.00 0.00 O ATOM 0 H GLU A 30 68.512 -9.383 5.194 1.00 0.00 H new ATOM 0 HA GLU A 30 70.919 -8.183 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.467 -8.806 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.115 -9.353 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.715 -6.971 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.106 -6.553 6.391 1.00 0.00 H new ATOM 482 N ASP A 31 71.220 -11.373 4.919 1.00 0.00 N ATOM 483 CA ASP A 31 72.153 -12.514 4.712 1.00 0.00 C ATOM 484 C ASP A 31 72.606 -12.536 3.254 1.00 0.00 C ATOM 485 O ASP A 31 73.784 -12.568 2.955 1.00 0.00 O ATOM 486 CB ASP A 31 71.337 -13.765 5.044 1.00 0.00 C ATOM 487 CG ASP A 31 71.373 -14.013 6.553 1.00 0.00 C ATOM 488 OD1 ASP A 31 70.677 -13.310 7.266 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.098 -14.901 6.969 1.00 0.00 O ATOM 0 H ASP A 31 70.298 -11.625 5.276 1.00 0.00 H new ATOM 0 HA ASP A 31 73.047 -12.446 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.307 -13.639 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.741 -14.627 4.513 1.00 0.00 H new ATOM 494 N GLU A 32 71.673 -12.500 2.347 1.00 0.00 N ATOM 495 CA GLU A 32 72.034 -12.499 0.902 1.00 0.00 C ATOM 496 C GLU A 32 72.884 -11.267 0.595 1.00 0.00 C ATOM 497 O GLU A 32 73.878 -11.333 -0.108 1.00 0.00 O ATOM 498 CB GLU A 32 70.693 -12.438 0.167 1.00 0.00 C ATOM 499 CG GLU A 32 70.907 -11.945 -1.264 1.00 0.00 C ATOM 500 CD GLU A 32 70.816 -10.420 -1.298 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.105 -9.870 -0.473 1.00 0.00 O ATOM 502 OE2 GLU A 32 71.458 -9.825 -2.148 1.00 0.00 O ATOM 0 H GLU A 32 70.673 -12.471 2.543 1.00 0.00 H new ATOM 0 HA GLU A 32 72.615 -13.372 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.229 -13.424 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.010 -11.771 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.881 -12.270 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.157 -12.379 -1.925 1.00 0.00 H new ATOM 509 N LEU A 33 72.516 -10.148 1.148 1.00 0.00 N ATOM 510 CA LEU A 33 73.308 -8.914 0.921 1.00 0.00 C ATOM 511 C LEU A 33 74.639 -9.071 1.640 1.00 0.00 C ATOM 512 O LEU A 33 75.660 -8.571 1.210 1.00 0.00 O ATOM 513 CB LEU A 33 72.484 -7.785 1.542 1.00 0.00 C ATOM 514 CG LEU A 33 71.660 -7.095 0.453 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.196 -7.523 0.572 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.761 -5.578 0.624 1.00 0.00 C ATOM 0 H LEU A 33 71.699 -10.036 1.748 1.00 0.00 H new ATOM 0 HA LEU A 33 73.509 -8.713 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.825 -8.183 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.143 -7.064 2.026 1.00 0.00 H new ATOM 0 HG LEU A 33 72.043 -7.379 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.609 -7.031 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.122 -8.604 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.812 -7.239 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.175 -5.085 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.377 -5.296 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.804 -5.271 0.541 1.00 0.00 H new ATOM 528 N LYS A 34 74.631 -9.787 2.729 1.00 0.00 N ATOM 529 CA LYS A 34 75.891 -10.008 3.476 1.00 0.00 C ATOM 530 C LYS A 34 76.743 -11.014 2.712 1.00 0.00 C ATOM 531 O LYS A 34 77.951 -11.059 2.838 1.00 0.00 O ATOM 532 CB LYS A 34 75.468 -10.566 4.835 1.00 0.00 C ATOM 533 CG LYS A 34 76.673 -10.580 5.778 1.00 0.00 C ATOM 534 CD LYS A 34 77.479 -11.861 5.557 1.00 0.00 C ATOM 535 CE LYS A 34 78.110 -12.304 6.879 1.00 0.00 C ATOM 536 NZ LYS A 34 78.167 -13.790 6.799 1.00 0.00 N ATOM 0 H LYS A 34 73.804 -10.227 3.131 1.00 0.00 H new ATOM 0 HA LYS A 34 76.480 -9.099 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.669 -9.957 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.072 -11.575 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.300 -9.707 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.338 -10.522 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.832 -12.648 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.255 -11.690 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.105 -11.877 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.513 -11.977 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.589 -14.169 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 77.205 -14.169 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.747 -14.072 5.983 1.00 0.00 H new ATOM 550 N GLU A 35 76.106 -11.811 1.907 1.00 0.00 N ATOM 551 CA GLU A 35 76.841 -12.817 1.102 1.00 0.00 C ATOM 552 C GLU A 35 77.365 -12.159 -0.173 1.00 0.00 C ATOM 553 O GLU A 35 78.422 -12.494 -0.671 1.00 0.00 O ATOM 554 CB GLU A 35 75.808 -13.896 0.772 1.00 0.00 C ATOM 555 CG GLU A 35 76.320 -14.757 -0.385 1.00 0.00 C ATOM 556 CD GLU A 35 77.708 -15.300 -0.041 1.00 0.00 C ATOM 557 OE1 GLU A 35 77.952 -15.553 1.128 1.00 0.00 O ATOM 558 OE2 GLU A 35 78.504 -15.455 -0.953 1.00 0.00 O ATOM 0 H GLU A 35 75.095 -11.808 1.771 1.00 0.00 H new ATOM 0 HA GLU A 35 77.699 -13.235 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.624 -14.518 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.858 -13.435 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.631 -15.581 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.365 -14.166 -1.300 1.00 0.00 H new ATOM 565 N VAL A 36 76.636 -11.210 -0.695 1.00 0.00 N ATOM 566 CA VAL A 36 77.092 -10.513 -1.927 1.00 0.00 C ATOM 567 C VAL A 36 78.087 -9.420 -1.543 1.00 0.00 C ATOM 568 O VAL A 36 79.046 -9.161 -2.243 1.00 0.00 O ATOM 569 CB VAL A 36 75.825 -9.904 -2.533 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.205 -8.798 -3.522 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.039 -10.992 -3.267 1.00 0.00 C ATOM 0 H VAL A 36 75.744 -10.888 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 36 77.590 -11.178 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 36 75.212 -9.482 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.300 -8.367 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.765 -8.021 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.820 -9.217 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.136 -10.560 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.656 -11.413 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.764 -11.779 -2.565 1.00 0.00 H new ATOM 581 N PHE A 37 77.865 -8.778 -0.430 1.00 0.00 N ATOM 582 CA PHE A 37 78.786 -7.707 0.009 1.00 0.00 C ATOM 583 C PHE A 37 79.655 -8.200 1.170 1.00 0.00 C ATOM 584 O PHE A 37 79.560 -7.714 2.279 1.00 0.00 O ATOM 585 CB PHE A 37 77.869 -6.580 0.467 1.00 0.00 C ATOM 586 CG PHE A 37 77.341 -5.839 -0.737 1.00 0.00 C ATOM 587 CD1 PHE A 37 78.231 -5.294 -1.669 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.960 -5.702 -0.925 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.742 -4.610 -2.788 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.471 -5.018 -2.044 1.00 0.00 C ATOM 591 CZ PHE A 37 76.362 -4.472 -2.975 1.00 0.00 C ATOM 0 H PHE A 37 77.078 -8.955 0.195 1.00 0.00 H new ATOM 0 HA PHE A 37 79.467 -7.390 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.042 -6.984 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.413 -5.896 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 37 79.296 -5.401 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.273 -6.124 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 37 78.429 -4.189 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.406 -4.912 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 37 75.984 -3.944 -3.838 1.00 0.00 H new ATOM 601 N GLU A 38 80.498 -9.166 0.923 1.00 0.00 N ATOM 602 CA GLU A 38 81.369 -9.692 2.014 1.00 0.00 C ATOM 603 C GLU A 38 82.612 -8.809 2.181 1.00 0.00 C ATOM 604 O GLU A 38 83.578 -9.194 2.808 1.00 0.00 O ATOM 605 CB GLU A 38 81.768 -11.096 1.557 1.00 0.00 C ATOM 606 CG GLU A 38 80.994 -12.137 2.369 1.00 0.00 C ATOM 607 CD GLU A 38 81.897 -12.705 3.466 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.042 -13.003 3.168 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.428 -12.832 4.584 1.00 0.00 O ATOM 0 H GLU A 38 80.621 -9.613 0.015 1.00 0.00 H new ATOM 0 HA GLU A 38 80.859 -9.703 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.557 -11.218 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.840 -11.241 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.108 -11.682 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.648 -12.939 1.717 1.00 0.00 H new ATOM 616 N ASP A 39 82.593 -7.625 1.628 1.00 0.00 N ATOM 617 CA ASP A 39 83.773 -6.723 1.759 1.00 0.00 C ATOM 618 C ASP A 39 83.365 -5.414 2.440 1.00 0.00 C ATOM 619 O ASP A 39 84.163 -4.511 2.595 1.00 0.00 O ATOM 620 CB ASP A 39 84.231 -6.460 0.324 1.00 0.00 C ATOM 621 CG ASP A 39 85.733 -6.726 0.209 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.236 -7.516 0.991 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.355 -6.136 -0.659 1.00 0.00 O ATOM 0 H ASP A 39 81.813 -7.245 1.092 1.00 0.00 H new ATOM 0 HA ASP A 39 84.564 -7.163 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.684 -7.102 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 84.011 -5.430 0.044 1.00 0.00 H new ATOM 628 N ALA A 40 82.131 -5.304 2.847 1.00 0.00 N ATOM 629 CA ALA A 40 81.681 -4.049 3.515 1.00 0.00 C ATOM 630 C ALA A 40 81.626 -4.246 5.033 1.00 0.00 C ATOM 631 O ALA A 40 81.916 -5.311 5.542 1.00 0.00 O ATOM 632 CB ALA A 40 80.283 -3.780 2.957 1.00 0.00 C ATOM 0 H ALA A 40 81.417 -6.025 2.747 1.00 0.00 H new ATOM 0 HA ALA A 40 82.360 -3.217 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.883 -2.869 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.340 -3.661 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.629 -4.618 3.196 1.00 0.00 H new ATOM 638 N LEU A 41 81.251 -3.229 5.761 1.00 0.00 N ATOM 639 CA LEU A 41 81.173 -3.360 7.241 1.00 0.00 C ATOM 640 C LEU A 41 79.910 -4.121 7.621 1.00 0.00 C ATOM 641 O LEU A 41 79.939 -5.063 8.386 1.00 0.00 O ATOM 642 CB LEU A 41 81.085 -1.933 7.791 1.00 0.00 C ATOM 643 CG LEU A 41 82.026 -1.010 7.023 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.136 0.328 7.755 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.405 -1.662 6.930 1.00 0.00 C ATOM 0 H LEU A 41 80.995 -2.313 5.393 1.00 0.00 H new ATOM 0 HA LEU A 41 82.034 -3.896 7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.061 -1.568 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.344 -1.928 8.850 1.00 0.00 H new ATOM 0 HG LEU A 41 81.637 -0.839 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.808 0.988 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.150 0.788 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.528 0.163 8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.081 -1.006 6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.796 -1.830 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.322 -2.615 6.408 1.00 0.00 H new ATOM 657 N GLU A 42 78.800 -3.700 7.088 1.00 0.00 N ATOM 658 CA GLU A 42 77.508 -4.372 7.410 1.00 0.00 C ATOM 659 C GLU A 42 76.425 -3.944 6.423 1.00 0.00 C ATOM 660 O GLU A 42 76.612 -3.044 5.629 1.00 0.00 O ATOM 661 CB GLU A 42 77.155 -3.894 8.819 1.00 0.00 C ATOM 662 CG GLU A 42 77.858 -4.777 9.851 1.00 0.00 C ATOM 663 CD GLU A 42 76.883 -5.127 10.975 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.689 -5.114 10.723 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.346 -5.403 12.070 1.00 0.00 O ATOM 0 H GLU A 42 78.729 -2.916 6.440 1.00 0.00 H new ATOM 0 HA GLU A 42 77.585 -5.458 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.458 -2.855 8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.076 -3.932 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.224 -5.688 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.726 -4.258 10.257 1.00 0.00 H new ATOM 672 N ILE A 43 75.294 -4.585 6.470 1.00 0.00 N ATOM 673 CA ILE A 43 74.192 -4.221 5.537 1.00 0.00 C ATOM 674 C ILE A 43 72.856 -4.175 6.281 1.00 0.00 C ATOM 675 O ILE A 43 72.638 -4.896 7.232 1.00 0.00 O ATOM 676 CB ILE A 43 74.179 -5.331 4.490 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.500 -5.311 3.719 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.016 -5.105 3.521 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.537 -6.487 2.744 1.00 0.00 C ATOM 0 H ILE A 43 75.083 -5.347 7.115 1.00 0.00 H new ATOM 0 HA ILE A 43 74.340 -3.237 5.091 1.00 0.00 H new ATOM 0 HB ILE A 43 74.057 -6.297 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.603 -4.371 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.339 -5.372 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.006 -5.898 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.076 -5.115 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.136 -4.141 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.478 -6.474 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.454 -7.422 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.706 -6.405 2.043 1.00 0.00 H new ATOM 691 N ARG A 44 71.961 -3.332 5.847 1.00 0.00 N ATOM 692 CA ARG A 44 70.636 -3.239 6.521 1.00 0.00 C ATOM 693 C ARG A 44 69.520 -3.541 5.517 1.00 0.00 C ATOM 694 O ARG A 44 69.737 -3.558 4.322 1.00 0.00 O ATOM 695 CB ARG A 44 70.546 -1.797 7.015 1.00 0.00 C ATOM 696 CG ARG A 44 70.913 -1.743 8.498 1.00 0.00 C ATOM 697 CD ARG A 44 69.781 -1.079 9.284 1.00 0.00 C ATOM 698 NE ARG A 44 70.319 0.252 9.680 1.00 0.00 N ATOM 699 CZ ARG A 44 70.250 0.640 10.924 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.135 1.128 11.394 1.00 0.00 N ATOM 701 NH2 ARG A 44 71.296 0.541 11.698 1.00 0.00 N ATOM 0 H ARG A 44 72.090 -2.703 5.054 1.00 0.00 H new ATOM 0 HA ARG A 44 70.530 -3.952 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.219 -1.161 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.537 -1.412 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.090 -2.750 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.839 -1.185 8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 44 68.883 -0.977 8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.507 -1.670 10.158 1.00 0.00 H new ATOM 0 HE ARG A 44 70.741 0.860 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.317 1.206 10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 44 69.081 1.431 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 44 72.168 0.160 11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 44 71.242 0.844 12.670 1.00 0.00 H new ATOM 715 N LEU A 45 68.329 -3.776 5.990 1.00 0.00 N ATOM 716 CA LEU A 45 67.204 -4.075 5.062 1.00 0.00 C ATOM 717 C LEU A 45 66.229 -2.900 5.032 1.00 0.00 C ATOM 718 O LEU A 45 66.150 -2.125 5.964 1.00 0.00 O ATOM 719 CB LEU A 45 66.530 -5.320 5.641 1.00 0.00 C ATOM 720 CG LEU A 45 66.400 -6.386 4.552 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.485 -7.508 5.043 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.800 -5.757 3.292 1.00 0.00 C ATOM 0 H LEU A 45 68.086 -3.774 6.981 1.00 0.00 H new ATOM 0 HA LEU A 45 67.541 -4.238 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.114 -5.708 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.546 -5.064 6.033 1.00 0.00 H new ATOM 0 HG LEU A 45 67.385 -6.793 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.392 -8.268 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.909 -7.957 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.500 -7.101 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.707 -6.516 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.815 -5.351 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.450 -4.956 2.940 1.00 0.00 H new ATOM 734 N VAL A 46 65.490 -2.753 3.969 1.00 0.00 N ATOM 735 CA VAL A 46 64.532 -1.619 3.891 1.00 0.00 C ATOM 736 C VAL A 46 63.256 -2.033 3.152 1.00 0.00 C ATOM 737 O VAL A 46 63.294 -2.574 2.053 1.00 0.00 O ATOM 738 CB VAL A 46 65.278 -0.529 3.128 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.380 0.700 2.988 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.546 -0.155 3.897 1.00 0.00 C ATOM 0 H VAL A 46 65.508 -3.367 3.154 1.00 0.00 H new ATOM 0 HA VAL A 46 64.214 -1.281 4.877 1.00 0.00 H new ATOM 0 HB VAL A 46 65.547 -0.892 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.912 1.479 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.475 0.430 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.111 1.069 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.083 0.624 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.276 0.211 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.184 -1.033 3.996 1.00 0.00 H new ATOM 750 N SER A 47 62.127 -1.779 3.760 1.00 0.00 N ATOM 751 CA SER A 47 60.824 -2.141 3.137 1.00 0.00 C ATOM 752 C SER A 47 59.919 -0.908 3.055 1.00 0.00 C ATOM 753 O SER A 47 60.367 0.186 2.774 1.00 0.00 O ATOM 754 CB SER A 47 60.223 -3.182 4.079 1.00 0.00 C ATOM 755 OG SER A 47 61.272 -3.881 4.736 1.00 0.00 O ATOM 0 H SER A 47 62.054 -1.330 4.673 1.00 0.00 H new ATOM 0 HA SER A 47 60.937 -2.520 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.578 -2.697 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.600 -3.880 3.519 1.00 0.00 H new ATOM 0 HG SER A 47 60.890 -4.549 5.343 1.00 0.00 H new ATOM 819 N SER A 52 57.944 -5.783 3.394 1.00 0.00 N ATOM 820 CA SER A 52 59.144 -5.930 2.520 1.00 0.00 C ATOM 821 C SER A 52 58.968 -5.140 1.225 1.00 0.00 C ATOM 822 O SER A 52 57.972 -5.257 0.539 1.00 0.00 O ATOM 823 CB SER A 52 59.240 -7.419 2.222 1.00 0.00 C ATOM 824 OG SER A 52 60.608 -7.791 2.119 1.00 0.00 O ATOM 0 HA SER A 52 60.044 -5.549 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.754 -7.992 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.718 -7.650 1.294 1.00 0.00 H new ATOM 0 HG SER A 52 60.680 -8.768 2.089 1.00 0.00 H new ATOM 830 N LYS A 53 59.935 -4.341 0.885 1.00 0.00 N ATOM 831 CA LYS A 53 59.841 -3.541 -0.368 1.00 0.00 C ATOM 832 C LYS A 53 60.962 -3.957 -1.315 1.00 0.00 C ATOM 833 O LYS A 53 60.883 -3.773 -2.513 1.00 0.00 O ATOM 834 CB LYS A 53 60.015 -2.087 0.072 1.00 0.00 C ATOM 835 CG LYS A 53 59.465 -1.156 -1.011 1.00 0.00 C ATOM 836 CD LYS A 53 60.525 -0.953 -2.094 1.00 0.00 C ATOM 837 CE LYS A 53 59.867 -1.034 -3.473 1.00 0.00 C ATOM 838 NZ LYS A 53 60.236 0.240 -4.151 1.00 0.00 N ATOM 0 H LYS A 53 60.792 -4.205 1.422 1.00 0.00 H new ATOM 0 HA LYS A 53 58.897 -3.687 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.492 -1.916 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.069 -1.873 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.561 -1.582 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.187 -0.197 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.010 0.015 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 53 61.302 -1.712 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.227 -1.898 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.785 -1.137 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.821 0.259 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.874 1.044 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 61.271 0.308 -4.223 1.00 0.00 H new ATOM 852 N GLY A 54 62.006 -4.525 -0.780 1.00 0.00 N ATOM 853 CA GLY A 54 63.137 -4.966 -1.636 1.00 0.00 C ATOM 854 C GLY A 54 64.292 -3.969 -1.526 1.00 0.00 C ATOM 855 O GLY A 54 65.116 -3.870 -2.412 1.00 0.00 O ATOM 0 H GLY A 54 62.123 -4.703 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.471 -5.958 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.811 -5.045 -2.673 1.00 0.00 H new ATOM 859 N ILE A 55 64.370 -3.227 -0.450 1.00 0.00 N ATOM 860 CA ILE A 55 65.489 -2.251 -0.317 1.00 0.00 C ATOM 861 C ILE A 55 66.384 -2.644 0.861 1.00 0.00 C ATOM 862 O ILE A 55 65.997 -3.422 1.708 1.00 0.00 O ATOM 863 CB ILE A 55 64.812 -0.904 -0.065 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.892 -0.568 -1.241 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.874 0.186 0.071 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.195 0.768 -0.975 1.00 0.00 C ATOM 0 H ILE A 55 63.715 -3.255 0.332 1.00 0.00 H new ATOM 0 HA ILE A 55 66.126 -2.219 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 55 64.228 -0.960 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.469 -0.512 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.152 -1.357 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.389 1.146 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.533 -0.050 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.459 0.241 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.539 1.009 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.605 0.695 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.943 1.553 -0.863 1.00 0.00 H new ATOM 878 N ALA A 56 67.581 -2.120 0.923 1.00 0.00 N ATOM 879 CA ALA A 56 68.487 -2.479 2.053 1.00 0.00 C ATOM 880 C ALA A 56 69.681 -1.519 2.103 1.00 0.00 C ATOM 881 O ALA A 56 70.153 -1.050 1.090 1.00 0.00 O ATOM 882 CB ALA A 56 68.957 -3.901 1.746 1.00 0.00 C ATOM 0 H ALA A 56 67.968 -1.464 0.245 1.00 0.00 H new ATOM 0 HA ALA A 56 67.987 -2.413 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.630 -4.240 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.095 -4.566 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.482 -3.913 0.791 1.00 0.00 H new ATOM 888 N TYR A 57 70.178 -1.229 3.275 1.00 0.00 N ATOM 889 CA TYR A 57 71.345 -0.305 3.380 1.00 0.00 C ATOM 890 C TYR A 57 72.647 -1.110 3.352 1.00 0.00 C ATOM 891 O TYR A 57 72.667 -2.282 3.670 1.00 0.00 O ATOM 892 CB TYR A 57 71.173 0.408 4.722 1.00 0.00 C ATOM 893 CG TYR A 57 70.856 1.864 4.483 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.870 2.749 4.095 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.547 2.331 4.648 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.574 4.099 3.873 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.250 3.681 4.427 1.00 0.00 C ATOM 898 CZ TYR A 57 70.264 4.564 4.039 1.00 0.00 C ATOM 899 OH TYR A 57 69.971 5.896 3.819 1.00 0.00 O ATOM 0 H TYR A 57 69.828 -1.590 4.162 1.00 0.00 H new ATOM 0 HA TYR A 57 71.391 0.405 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.372 -0.060 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.084 0.316 5.314 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.880 2.390 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.765 1.649 4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.356 4.781 3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.240 4.041 4.556 1.00 0.00 H new ATOM 0 HH TYR A 57 69.016 6.051 3.977 1.00 0.00 H new ATOM 909 N ILE A 58 73.733 -0.496 2.967 1.00 0.00 N ATOM 910 CA ILE A 58 75.025 -1.242 2.912 1.00 0.00 C ATOM 911 C ILE A 58 76.201 -0.296 3.182 1.00 0.00 C ATOM 912 O ILE A 58 76.420 0.657 2.462 1.00 0.00 O ATOM 913 CB ILE A 58 75.099 -1.796 1.486 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.729 -2.345 1.073 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.130 -2.924 1.425 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.842 -3.016 -0.297 1.00 0.00 C ATOM 0 H ILE A 58 73.783 0.484 2.689 1.00 0.00 H new ATOM 0 HA ILE A 58 75.077 -2.031 3.662 1.00 0.00 H new ATOM 0 HB ILE A 58 75.392 -0.995 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.374 -3.062 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.998 -1.538 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.180 -3.316 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.108 -2.539 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.837 -3.722 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.868 -3.407 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.178 -2.286 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.560 -3.834 -0.243 1.00 0.00 H new ATOM 928 N GLU A 59 76.963 -0.558 4.211 1.00 0.00 N ATOM 929 CA GLU A 59 78.129 0.325 4.521 1.00 0.00 C ATOM 930 C GLU A 59 79.431 -0.449 4.320 1.00 0.00 C ATOM 931 O GLU A 59 79.573 -1.566 4.776 1.00 0.00 O ATOM 932 CB GLU A 59 77.981 0.717 5.997 1.00 0.00 C ATOM 933 CG GLU A 59 76.508 0.943 6.339 1.00 0.00 C ATOM 934 CD GLU A 59 76.341 2.304 7.018 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.973 2.516 8.040 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.583 3.111 6.504 1.00 0.00 O ATOM 0 H GLU A 59 76.830 -1.342 4.849 1.00 0.00 H new ATOM 0 HA GLU A 59 78.154 1.201 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.393 -0.067 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.552 1.623 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.903 0.901 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.151 0.151 6.997 1.00 0.00 H new ATOM 943 N PHE A 60 80.388 0.128 3.647 1.00 0.00 N ATOM 944 CA PHE A 60 81.669 -0.595 3.439 1.00 0.00 C ATOM 945 C PHE A 60 82.787 0.053 4.254 1.00 0.00 C ATOM 946 O PHE A 60 82.609 1.086 4.869 1.00 0.00 O ATOM 947 CB PHE A 60 81.968 -0.485 1.948 1.00 0.00 C ATOM 948 CG PHE A 60 80.906 -1.215 1.162 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.589 -0.744 1.158 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.241 -2.366 0.440 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.606 -1.422 0.430 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.257 -3.045 -0.289 1.00 0.00 C ATOM 953 CZ PHE A 60 78.939 -2.573 -0.294 1.00 0.00 C ATOM 0 H PHE A 60 80.338 1.060 3.236 1.00 0.00 H new ATOM 0 HA PHE A 60 81.600 -1.634 3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.999 0.563 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.949 -0.907 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.331 0.143 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.258 -2.730 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.589 -1.057 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.515 -3.933 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.180 -3.096 -0.856 1.00 0.00 H new ATOM 963 N LYS A 61 83.934 -0.557 4.265 1.00 0.00 N ATOM 964 CA LYS A 61 85.078 0.004 5.045 1.00 0.00 C ATOM 965 C LYS A 61 85.719 1.176 4.300 1.00 0.00 C ATOM 966 O LYS A 61 86.525 1.903 4.846 1.00 0.00 O ATOM 967 CB LYS A 61 86.069 -1.152 5.178 1.00 0.00 C ATOM 968 CG LYS A 61 86.846 -1.011 6.488 1.00 0.00 C ATOM 969 CD LYS A 61 87.869 0.119 6.357 1.00 0.00 C ATOM 970 CE LYS A 61 89.151 -0.264 7.099 1.00 0.00 C ATOM 971 NZ LYS A 61 89.644 1.007 7.699 1.00 0.00 N ATOM 0 H LYS A 61 84.135 -1.424 3.767 1.00 0.00 H new ATOM 0 HA LYS A 61 84.761 0.388 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.538 -2.104 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.758 -1.154 4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.160 -0.801 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.351 -1.947 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.087 0.306 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.461 1.043 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.954 -1.012 7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.888 -0.691 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.522 0.825 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.830 1.698 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 88.925 1.387 8.347 1.00 0.00 H new ATOM 985 N SER A 62 85.374 1.368 3.058 1.00 0.00 N ATOM 986 CA SER A 62 85.974 2.496 2.290 1.00 0.00 C ATOM 987 C SER A 62 85.277 2.651 0.939 1.00 0.00 C ATOM 988 O SER A 62 84.676 1.727 0.428 1.00 0.00 O ATOM 989 CB SER A 62 87.440 2.109 2.095 1.00 0.00 C ATOM 990 OG SER A 62 87.600 0.720 2.349 1.00 0.00 O ATOM 0 H SER A 62 84.705 0.796 2.542 1.00 0.00 H new ATOM 0 HA SER A 62 85.869 3.448 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.757 2.343 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.073 2.688 2.768 1.00 0.00 H new ATOM 0 HG SER A 62 88.539 0.470 2.223 1.00 0.00 H new ATOM 996 N GLU A 63 85.355 3.815 0.355 1.00 0.00 N ATOM 997 CA GLU A 63 84.700 4.029 -0.966 1.00 0.00 C ATOM 998 C GLU A 63 85.203 2.994 -1.972 1.00 0.00 C ATOM 999 O GLU A 63 84.442 2.441 -2.740 1.00 0.00 O ATOM 1000 CB GLU A 63 85.114 5.439 -1.391 1.00 0.00 C ATOM 1001 CG GLU A 63 84.871 6.413 -0.236 1.00 0.00 C ATOM 1002 CD GLU A 63 86.176 7.132 0.111 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.623 7.930 -0.696 1.00 0.00 O ATOM 1004 OE2 GLU A 63 86.707 6.871 1.178 1.00 0.00 O ATOM 0 H GLU A 63 85.843 4.626 0.735 1.00 0.00 H new ATOM 0 HA GLU A 63 83.616 3.924 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 63 86.166 5.450 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.544 5.748 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.107 7.139 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.498 5.874 0.635 1.00 0.00 H new ATOM 1011 N ALA A 64 86.481 2.723 -1.972 1.00 0.00 N ATOM 1012 CA ALA A 64 87.026 1.722 -2.926 1.00 0.00 C ATOM 1013 C ALA A 64 86.353 0.372 -2.693 1.00 0.00 C ATOM 1014 O ALA A 64 86.104 -0.378 -3.617 1.00 0.00 O ATOM 1015 CB ALA A 64 88.521 1.645 -2.617 1.00 0.00 C ATOM 0 H ALA A 64 87.168 3.152 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 64 86.848 1.995 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.994 0.924 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.974 2.626 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.663 1.331 -1.583 1.00 0.00 H new ATOM 1021 N ASP A 65 86.036 0.067 -1.467 1.00 0.00 N ATOM 1022 CA ASP A 65 85.356 -1.223 -1.179 1.00 0.00 C ATOM 1023 C ASP A 65 83.914 -1.130 -1.671 1.00 0.00 C ATOM 1024 O ASP A 65 83.482 -1.890 -2.514 1.00 0.00 O ATOM 1025 CB ASP A 65 85.407 -1.370 0.342 1.00 0.00 C ATOM 1026 CG ASP A 65 85.503 -2.852 0.710 1.00 0.00 C ATOM 1027 OD1 ASP A 65 85.183 -3.674 -0.132 1.00 0.00 O ATOM 1028 OD2 ASP A 65 85.895 -3.139 1.829 1.00 0.00 O ATOM 0 H ASP A 65 86.218 0.655 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 65 85.822 -2.077 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 65 86.265 -0.829 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.516 -0.930 0.790 1.00 0.00 H new ATOM 1033 N ALA A 66 83.174 -0.183 -1.165 1.00 0.00 N ATOM 1034 CA ALA A 66 81.767 -0.018 -1.619 1.00 0.00 C ATOM 1035 C ALA A 66 81.742 0.251 -3.128 1.00 0.00 C ATOM 1036 O ALA A 66 80.784 -0.062 -3.807 1.00 0.00 O ATOM 1037 CB ALA A 66 81.241 1.196 -0.851 1.00 0.00 C ATOM 0 H ALA A 66 83.483 0.483 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 66 81.161 -0.905 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.205 1.383 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.297 1.001 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.846 2.070 -1.093 1.00 0.00 H new ATOM 1043 N GLU A 67 82.791 0.827 -3.659 1.00 0.00 N ATOM 1044 CA GLU A 67 82.825 1.112 -5.119 1.00 0.00 C ATOM 1045 C GLU A 67 83.081 -0.179 -5.899 1.00 0.00 C ATOM 1046 O GLU A 67 82.315 -0.557 -6.765 1.00 0.00 O ATOM 1047 CB GLU A 67 83.985 2.090 -5.311 1.00 0.00 C ATOM 1048 CG GLU A 67 83.539 3.497 -4.908 1.00 0.00 C ATOM 1049 CD GLU A 67 83.450 4.381 -6.154 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.504 4.216 -6.906 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.329 5.207 -6.334 1.00 0.00 O ATOM 0 H GLU A 67 83.623 1.111 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 67 81.883 1.525 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.839 1.781 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.311 2.084 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.571 3.454 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 67 84.245 3.924 -4.196 1.00 0.00 H new ATOM 1058 N LYS A 68 84.148 -0.865 -5.592 1.00 0.00 N ATOM 1059 CA LYS A 68 84.446 -2.136 -6.308 1.00 0.00 C ATOM 1060 C LYS A 68 83.265 -3.088 -6.154 1.00 0.00 C ATOM 1061 O LYS A 68 82.911 -3.815 -7.061 1.00 0.00 O ATOM 1062 CB LYS A 68 85.689 -2.701 -5.621 1.00 0.00 C ATOM 1063 CG LYS A 68 86.450 -3.599 -6.598 1.00 0.00 C ATOM 1064 CD LYS A 68 85.921 -5.030 -6.496 1.00 0.00 C ATOM 1065 CE LYS A 68 86.700 -5.787 -5.418 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.085 -7.143 -5.378 1.00 0.00 N ATOM 0 H LYS A 68 84.825 -0.600 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 68 84.613 -1.991 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.331 -1.888 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.402 -3.270 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.332 -3.228 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.516 -3.578 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.859 -5.020 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.023 -5.536 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.761 -5.842 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.621 -5.289 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 86.567 -7.722 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 85.077 -7.060 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.181 -7.595 -6.310 1.00 0.00 H new ATOM 1080 N ASN A 69 82.646 -3.076 -5.008 1.00 0.00 N ATOM 1081 CA ASN A 69 81.477 -3.965 -4.785 1.00 0.00 C ATOM 1082 C ASN A 69 80.249 -3.381 -5.484 1.00 0.00 C ATOM 1083 O ASN A 69 79.594 -4.042 -6.264 1.00 0.00 O ATOM 1084 CB ASN A 69 81.284 -3.983 -3.269 1.00 0.00 C ATOM 1085 CG ASN A 69 81.901 -5.258 -2.691 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.228 -6.032 -2.041 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.164 -5.509 -2.902 1.00 0.00 N ATOM 0 H ASN A 69 82.901 -2.487 -4.215 1.00 0.00 H new ATOM 0 HA ASN A 69 81.625 -4.969 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.751 -3.105 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.222 -3.938 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.586 -6.356 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.729 -4.859 -3.448 1.00 0.00 H new ATOM 1094 N LEU A 70 79.939 -2.142 -5.222 1.00 0.00 N ATOM 1095 CA LEU A 70 78.758 -1.517 -5.883 1.00 0.00 C ATOM 1096 C LEU A 70 78.911 -1.596 -7.402 1.00 0.00 C ATOM 1097 O LEU A 70 77.947 -1.534 -8.135 1.00 0.00 O ATOM 1098 CB LEU A 70 78.765 -0.061 -5.419 1.00 0.00 C ATOM 1099 CG LEU A 70 77.721 0.732 -6.206 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.649 1.256 -5.248 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.399 1.910 -6.908 1.00 0.00 C ATOM 0 H LEU A 70 80.450 -1.536 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 70 77.825 -2.018 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.549 -0.008 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.754 0.374 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 70 77.257 0.084 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.905 1.821 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.166 0.416 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.112 1.904 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.656 2.476 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.863 2.558 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.162 1.536 -7.591 1.00 0.00 H new ATOM 1113 N GLU A 71 80.117 -1.734 -7.878 1.00 0.00 N ATOM 1114 CA GLU A 71 80.327 -1.823 -9.349 1.00 0.00 C ATOM 1115 C GLU A 71 80.233 -3.282 -9.801 1.00 0.00 C ATOM 1116 O GLU A 71 79.545 -3.607 -10.749 1.00 0.00 O ATOM 1117 CB GLU A 71 81.738 -1.279 -9.581 1.00 0.00 C ATOM 1118 CG GLU A 71 81.685 0.245 -9.695 1.00 0.00 C ATOM 1119 CD GLU A 71 82.868 0.734 -10.531 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.983 0.668 -10.041 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.640 1.167 -11.649 1.00 0.00 O ATOM 0 H GLU A 71 80.964 -1.789 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 71 79.579 -1.264 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.391 -1.570 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.160 -1.708 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.747 0.554 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.715 0.696 -8.703 1.00 0.00 H new ATOM 1128 N GLU A 72 80.926 -4.162 -9.132 1.00 0.00 N ATOM 1129 CA GLU A 72 80.887 -5.594 -9.517 1.00 0.00 C ATOM 1130 C GLU A 72 79.632 -6.272 -8.955 1.00 0.00 C ATOM 1131 O GLU A 72 79.208 -7.304 -9.432 1.00 0.00 O ATOM 1132 CB GLU A 72 82.146 -6.203 -8.900 1.00 0.00 C ATOM 1133 CG GLU A 72 82.831 -7.110 -9.924 1.00 0.00 C ATOM 1134 CD GLU A 72 82.979 -8.517 -9.342 1.00 0.00 C ATOM 1135 OE1 GLU A 72 81.979 -9.211 -9.261 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.089 -8.875 -8.985 1.00 0.00 O ATOM 0 H GLU A 72 81.520 -3.946 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 72 80.854 -5.725 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.828 -5.413 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.887 -6.774 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.246 -7.145 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.810 -6.708 -10.184 1.00 0.00 H new ATOM 1143 N LYS A 73 79.040 -5.703 -7.939 1.00 0.00 N ATOM 1144 CA LYS A 73 77.818 -6.325 -7.348 1.00 0.00 C ATOM 1145 C LYS A 73 76.557 -5.778 -8.021 1.00 0.00 C ATOM 1146 O LYS A 73 75.551 -6.453 -8.091 1.00 0.00 O ATOM 1147 CB LYS A 73 77.851 -5.940 -5.869 1.00 0.00 C ATOM 1148 CG LYS A 73 79.186 -6.374 -5.258 1.00 0.00 C ATOM 1149 CD LYS A 73 79.207 -7.896 -5.107 1.00 0.00 C ATOM 1150 CE LYS A 73 80.388 -8.470 -5.894 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.602 -7.978 -5.186 1.00 0.00 N ATOM 0 H LYS A 73 79.347 -4.838 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 73 77.801 -7.406 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.722 -4.863 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.025 -6.416 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.011 -6.049 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.325 -5.900 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.291 -8.167 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.272 -8.321 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.357 -9.559 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.372 -8.133 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.372 -8.668 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 81.894 -7.065 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.389 -7.857 -4.175 1.00 0.00 H new ATOM 1165 N GLN A 74 76.604 -4.564 -8.509 1.00 0.00 N ATOM 1166 CA GLN A 74 75.409 -3.965 -9.181 1.00 0.00 C ATOM 1167 C GLN A 74 74.675 -5.023 -10.005 1.00 0.00 C ATOM 1168 O GLN A 74 74.978 -5.248 -11.161 1.00 0.00 O ATOM 1169 CB GLN A 74 75.968 -2.874 -10.093 1.00 0.00 C ATOM 1170 CG GLN A 74 74.820 -2.203 -10.849 1.00 0.00 C ATOM 1171 CD GLN A 74 74.227 -1.085 -9.990 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.270 -1.297 -9.272 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.758 0.107 -10.033 1.00 0.00 N ATOM 0 H GLN A 74 77.424 -3.958 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 74 74.692 -3.569 -8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.510 -2.135 -9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.680 -3.304 -10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.181 -1.797 -11.794 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.051 -2.937 -11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.561 0.286 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.369 0.859 -9.464 1.00 0.00 H new ATOM 1182 N GLY A 75 73.722 -5.677 -9.412 1.00 0.00 N ATOM 1183 CA GLY A 75 72.966 -6.733 -10.144 1.00 0.00 C ATOM 1184 C GLY A 75 73.229 -8.087 -9.482 1.00 0.00 C ATOM 1185 O GLY A 75 72.343 -8.698 -8.919 1.00 0.00 O ATOM 0 H GLY A 75 73.430 -5.527 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.899 -6.509 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.274 -6.759 -11.189 1.00 0.00 H new ATOM 1189 N ALA A 76 74.447 -8.554 -9.542 1.00 0.00 N ATOM 1190 CA ALA A 76 74.786 -9.866 -8.916 1.00 0.00 C ATOM 1191 C ALA A 76 73.692 -10.899 -9.192 1.00 0.00 C ATOM 1192 O ALA A 76 73.516 -11.839 -8.444 1.00 0.00 O ATOM 1193 CB ALA A 76 74.884 -9.574 -7.417 1.00 0.00 C ATOM 0 H ALA A 76 75.226 -8.081 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 76 75.711 -10.281 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.131 -10.492 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.662 -8.831 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.929 -9.191 -7.058 1.00 0.00 H new ATOM 1199 N GLU A 77 72.965 -10.733 -10.264 1.00 0.00 N ATOM 1200 CA GLU A 77 71.880 -11.704 -10.606 1.00 0.00 C ATOM 1201 C GLU A 77 71.175 -12.198 -9.338 1.00 0.00 C ATOM 1202 O GLU A 77 71.602 -13.148 -8.711 1.00 0.00 O ATOM 1203 CB GLU A 77 72.592 -12.861 -11.308 1.00 0.00 C ATOM 1204 CG GLU A 77 71.570 -13.696 -12.084 1.00 0.00 C ATOM 1205 CD GLU A 77 70.747 -12.783 -12.994 1.00 0.00 C ATOM 1206 OE1 GLU A 77 71.279 -12.347 -14.002 1.00 0.00 O ATOM 1207 OE2 GLU A 77 69.598 -12.533 -12.667 1.00 0.00 O ATOM 0 H GLU A 77 73.075 -9.962 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 77 71.112 -11.252 -11.233 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.353 -12.475 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.105 -13.484 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.080 -14.454 -12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.914 -14.223 -11.391 1.00 0.00 H new ATOM 1214 N ILE A 78 70.101 -11.567 -8.957 1.00 0.00 N ATOM 1215 CA ILE A 78 69.374 -12.003 -7.733 1.00 0.00 C ATOM 1216 C ILE A 78 67.873 -11.920 -7.983 1.00 0.00 C ATOM 1217 O ILE A 78 67.429 -11.283 -8.913 1.00 0.00 O ATOM 1218 CB ILE A 78 69.769 -11.010 -6.643 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.255 -10.658 -6.759 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.502 -11.628 -5.269 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.574 -9.492 -5.824 1.00 0.00 C ATOM 0 H ILE A 78 69.694 -10.767 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 78 69.618 -13.028 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 78 69.178 -10.102 -6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 78 71.866 -11.523 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.498 -10.391 -7.788 1.00 0.00 H new ATOM 0 HG21 ILE A 78 69.784 -10.919 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.442 -11.866 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.089 -12.540 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 78 72.631 -9.240 -5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 78 70.972 -8.627 -6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.346 -9.777 -4.797 1.00 0.00 H new ATOM 1233 N ASP A 79 67.084 -12.546 -7.163 1.00 0.00 N ATOM 1234 CA ASP A 79 65.616 -12.482 -7.377 1.00 0.00 C ATOM 1235 C ASP A 79 65.299 -12.730 -8.854 1.00 0.00 C ATOM 1236 O ASP A 79 64.310 -12.257 -9.378 1.00 0.00 O ATOM 1237 CB ASP A 79 65.220 -11.062 -6.971 1.00 0.00 C ATOM 1238 CG ASP A 79 63.699 -10.914 -7.044 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.015 -11.879 -6.744 1.00 0.00 O ATOM 1240 OD2 ASP A 79 63.245 -9.839 -7.398 1.00 0.00 O ATOM 0 H ASP A 79 67.388 -13.096 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 79 65.074 -13.232 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.568 -10.851 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.698 -10.337 -7.630 1.00 0.00 H new ATOM 1245 N GLY A 80 66.137 -13.472 -9.526 1.00 0.00 N ATOM 1246 CA GLY A 80 65.900 -13.760 -10.964 1.00 0.00 C ATOM 1247 C GLY A 80 66.219 -12.521 -11.804 1.00 0.00 C ATOM 1248 O GLY A 80 66.027 -12.510 -13.004 1.00 0.00 O ATOM 0 H GLY A 80 66.980 -13.892 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.522 -14.596 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.863 -14.057 -11.118 1.00 0.00 H new ATOM 1252 N ARG A 81 66.713 -11.481 -11.188 1.00 0.00 N ATOM 1253 CA ARG A 81 67.049 -10.244 -11.949 1.00 0.00 C ATOM 1254 C ARG A 81 68.274 -9.567 -11.331 1.00 0.00 C ATOM 1255 O ARG A 81 68.853 -10.061 -10.385 1.00 0.00 O ATOM 1256 CB ARG A 81 65.822 -9.341 -11.809 1.00 0.00 C ATOM 1257 CG ARG A 81 64.586 -10.060 -12.354 1.00 0.00 C ATOM 1258 CD ARG A 81 63.637 -9.038 -12.983 1.00 0.00 C ATOM 1259 NE ARG A 81 62.788 -8.555 -11.859 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.827 -7.701 -12.087 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.770 -7.073 -13.230 1.00 0.00 N ATOM 1262 NH2 ARG A 81 60.923 -7.477 -11.173 1.00 0.00 N ATOM 0 H ARG A 81 66.899 -11.435 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 81 67.284 -10.454 -12.992 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.670 -9.079 -10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.981 -8.409 -12.351 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.881 -10.802 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 64.080 -10.596 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.189 -8.217 -13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.032 -9.492 -13.767 1.00 0.00 H new ATOM 0 HE ARG A 81 62.957 -8.891 -10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.476 -7.250 -13.945 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.019 -6.406 -13.408 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.967 -7.969 -10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.172 -6.810 -11.351 1.00 0.00 H new ATOM 1276 N SER A 82 68.670 -8.440 -11.852 1.00 0.00 N ATOM 1277 CA SER A 82 69.855 -7.736 -11.285 1.00 0.00 C ATOM 1278 C SER A 82 69.417 -6.797 -10.158 1.00 0.00 C ATOM 1279 O SER A 82 68.516 -5.999 -10.318 1.00 0.00 O ATOM 1280 CB SER A 82 70.438 -6.939 -12.449 1.00 0.00 C ATOM 1281 OG SER A 82 69.894 -7.418 -13.672 1.00 0.00 O ATOM 0 H SER A 82 68.226 -7.976 -12.644 1.00 0.00 H new ATOM 0 HA SER A 82 70.584 -8.427 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.211 -5.880 -12.328 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.524 -7.033 -12.460 1.00 0.00 H new ATOM 0 HG SER A 82 70.267 -6.905 -14.419 1.00 0.00 H new ATOM 1287 N VAL A 83 70.050 -6.885 -9.021 1.00 0.00 N ATOM 1288 CA VAL A 83 69.670 -5.995 -7.888 1.00 0.00 C ATOM 1289 C VAL A 83 70.201 -4.578 -8.132 1.00 0.00 C ATOM 1290 O VAL A 83 71.195 -4.387 -8.803 1.00 0.00 O ATOM 1291 CB VAL A 83 70.329 -6.619 -6.657 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.832 -6.328 -6.670 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.705 -6.026 -5.392 1.00 0.00 C ATOM 0 H VAL A 83 70.813 -7.534 -8.827 1.00 0.00 H new ATOM 0 HA VAL A 83 68.590 -5.910 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 83 70.172 -7.698 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.297 -6.775 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 83 72.277 -6.752 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 83 71.994 -5.250 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.173 -6.469 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 83 69.861 -4.947 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.636 -6.238 -5.380 1.00 0.00 H new ATOM 1303 N SER A 84 69.545 -3.586 -7.597 1.00 0.00 N ATOM 1304 CA SER A 84 70.014 -2.185 -7.805 1.00 0.00 C ATOM 1305 C SER A 84 70.871 -1.729 -6.621 1.00 0.00 C ATOM 1306 O SER A 84 70.597 -2.051 -5.483 1.00 0.00 O ATOM 1307 CB SER A 84 68.738 -1.350 -7.899 1.00 0.00 C ATOM 1308 OG SER A 84 68.036 -1.696 -9.086 1.00 0.00 O ATOM 0 H SER A 84 68.706 -3.683 -7.026 1.00 0.00 H new ATOM 0 HA SER A 84 70.632 -2.086 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.109 -1.527 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.984 -0.288 -7.905 1.00 0.00 H new ATOM 0 HG SER A 84 67.306 -1.059 -9.232 1.00 0.00 H new ATOM 1314 N LEU A 85 71.908 -0.981 -6.883 1.00 0.00 N ATOM 1315 CA LEU A 85 72.783 -0.502 -5.774 1.00 0.00 C ATOM 1316 C LEU A 85 72.834 1.028 -5.766 1.00 0.00 C ATOM 1317 O LEU A 85 73.062 1.656 -6.781 1.00 0.00 O ATOM 1318 CB LEU A 85 74.166 -1.079 -6.082 1.00 0.00 C ATOM 1319 CG LEU A 85 74.183 -2.571 -5.748 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.518 -3.177 -6.185 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.009 -2.756 -4.238 1.00 0.00 C ATOM 0 H LEU A 85 72.188 -0.681 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 85 72.418 -0.815 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.408 -0.928 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.927 -0.557 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 85 73.369 -3.071 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.530 -4.241 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.643 -3.044 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.333 -2.678 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.021 -3.819 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.824 -2.257 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.058 -2.324 -3.926 1.00 0.00 H new ATOM 1333 N TYR A 86 72.623 1.634 -4.630 1.00 0.00 N ATOM 1334 CA TYR A 86 72.661 3.121 -4.562 1.00 0.00 C ATOM 1335 C TYR A 86 73.863 3.584 -3.737 1.00 0.00 C ATOM 1336 O TYR A 86 73.835 3.577 -2.522 1.00 0.00 O ATOM 1337 CB TYR A 86 71.359 3.520 -3.874 1.00 0.00 C ATOM 1338 CG TYR A 86 70.198 3.286 -4.810 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.855 1.984 -5.191 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.463 4.375 -5.298 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.778 1.769 -6.059 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.386 4.159 -6.166 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.043 2.856 -6.546 1.00 0.00 C ATOM 1344 OH TYR A 86 66.982 2.643 -7.402 1.00 0.00 O ATOM 0 H TYR A 86 72.426 1.164 -3.747 1.00 0.00 H new ATOM 0 HA TYR A 86 72.758 3.575 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 86 71.226 2.939 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.397 4.569 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.421 1.145 -4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.727 5.380 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.514 0.764 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.820 4.998 -6.543 1.00 0.00 H new ATOM 0 HH TYR A 86 66.950 1.696 -7.654 1.00 0.00 H new ATOM 1354 N TYR A 87 74.920 3.981 -4.387 1.00 0.00 N ATOM 1355 CA TYR A 87 76.127 4.440 -3.644 1.00 0.00 C ATOM 1356 C TYR A 87 75.741 5.443 -2.569 1.00 0.00 C ATOM 1357 O TYR A 87 76.430 5.629 -1.585 1.00 0.00 O ATOM 1358 CB TYR A 87 77.021 5.095 -4.694 1.00 0.00 C ATOM 1359 CG TYR A 87 78.457 5.049 -4.231 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.986 3.863 -3.708 1.00 0.00 C ATOM 1361 CD2 TYR A 87 79.260 6.192 -4.323 1.00 0.00 C ATOM 1362 CE1 TYR A 87 80.318 3.820 -3.275 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.591 6.150 -3.890 1.00 0.00 C ATOM 1364 CZ TYR A 87 81.119 4.964 -3.367 1.00 0.00 C ATOM 1365 OH TYR A 87 82.431 4.921 -2.940 1.00 0.00 O ATOM 0 H TYR A 87 75.001 4.008 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 87 76.632 3.617 -3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.919 4.578 -5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.713 6.128 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 87 78.367 2.981 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.853 7.107 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.726 2.905 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.210 7.032 -3.960 1.00 0.00 H new ATOM 0 HH TYR A 87 82.493 5.295 -2.036 1.00 0.00 H new ATOM 1375 N THR A 88 74.639 6.079 -2.764 1.00 0.00 N ATOM 1376 CA THR A 88 74.151 7.088 -1.779 1.00 0.00 C ATOM 1377 C THR A 88 75.322 7.907 -1.226 1.00 0.00 C ATOM 1378 O THR A 88 75.710 7.758 -0.084 1.00 0.00 O ATOM 1379 CB THR A 88 73.495 6.270 -0.666 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.467 5.427 -0.064 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.369 5.418 -1.251 1.00 0.00 C ATOM 0 H THR A 88 74.036 5.948 -3.576 1.00 0.00 H new ATOM 0 HA THR A 88 73.456 7.798 -2.229 1.00 0.00 H new ATOM 0 HB THR A 88 73.083 6.944 0.085 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.358 5.819 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 88 71.903 4.836 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 88 71.623 6.067 -1.711 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.777 4.743 -2.004 1.00 0.00 H new