USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 15:sc= -1.21 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 1.07 K(o=1.1,f=-0.35) USER MOD Single : A 25 SER OG : rot 179:sc= 0.964 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -58:sc= 0.257! 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 140:sc= -0.144 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= -0.459 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -7.28! C(o=-7.3!,f=-7.8!) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0.0377 (180deg=0.022) USER MOD Single : A 74 GLN : amide:sc= -0.914 K(o=-0.91,f=-8.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -142:sc= -1.49! USER MOD Single : A 88 THR OG1 : rot 69:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 79.978 9.021 4.038 1.00 0.00 N ATOM 229 CA ALA A 15 78.795 8.528 3.284 1.00 0.00 C ATOM 230 C ALA A 15 79.241 7.804 2.011 1.00 0.00 C ATOM 231 O ALA A 15 78.464 7.130 1.364 1.00 0.00 O ATOM 232 CB ALA A 15 78.000 9.785 2.933 1.00 0.00 C ATOM 0 HA ALA A 15 78.204 7.818 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.107 9.506 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.708 10.299 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.617 10.448 2.326 1.00 0.00 H new ATOM 238 N ALA A 16 80.485 7.944 1.643 1.00 0.00 N ATOM 239 CA ALA A 16 80.979 7.268 0.409 1.00 0.00 C ATOM 240 C ALA A 16 81.072 5.756 0.628 1.00 0.00 C ATOM 241 O ALA A 16 80.917 4.977 -0.290 1.00 0.00 O ATOM 242 CB ALA A 16 82.366 7.861 0.161 1.00 0.00 C ATOM 0 H ALA A 16 81.181 8.497 2.143 1.00 0.00 H new ATOM 0 HA ALA A 16 80.311 7.422 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.799 7.413 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.281 8.939 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.008 7.655 1.017 1.00 0.00 H new ATOM 248 N ARG A 17 81.325 5.336 1.834 1.00 0.00 N ATOM 249 CA ARG A 17 81.430 3.874 2.108 1.00 0.00 C ATOM 250 C ARG A 17 80.050 3.295 2.432 1.00 0.00 C ATOM 251 O ARG A 17 79.933 2.255 3.050 1.00 0.00 O ATOM 252 CB ARG A 17 82.355 3.763 3.320 1.00 0.00 C ATOM 253 CG ARG A 17 81.787 4.591 4.473 1.00 0.00 C ATOM 254 CD ARG A 17 82.777 5.697 4.844 1.00 0.00 C ATOM 255 NE ARG A 17 82.837 5.677 6.332 1.00 0.00 N ATOM 256 CZ ARG A 17 83.912 5.249 6.935 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.089 5.519 6.443 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.808 4.549 8.032 1.00 0.00 N ATOM 0 H ARG A 17 81.464 5.941 2.644 1.00 0.00 H new ATOM 0 HA ARG A 17 81.813 3.321 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.453 2.720 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.354 4.116 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.830 5.027 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.600 3.952 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.758 5.511 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.442 6.667 4.475 1.00 0.00 H new ATOM 0 HE ARG A 17 82.038 5.998 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.170 6.066 5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.928 5.184 6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 17 82.887 4.337 8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 17 84.647 4.214 8.505 1.00 0.00 H new ATOM 272 N THR A 18 79.005 3.959 2.020 1.00 0.00 N ATOM 273 CA THR A 18 77.636 3.443 2.307 1.00 0.00 C ATOM 274 C THR A 18 76.758 3.530 1.056 1.00 0.00 C ATOM 275 O THR A 18 76.850 4.462 0.282 1.00 0.00 O ATOM 276 CB THR A 18 77.094 4.356 3.407 1.00 0.00 C ATOM 277 OG1 THR A 18 77.870 4.187 4.585 1.00 0.00 O ATOM 278 CG2 THR A 18 75.636 3.998 3.699 1.00 0.00 C ATOM 0 H THR A 18 79.039 4.835 1.498 1.00 0.00 H new ATOM 0 HA THR A 18 77.646 2.396 2.611 1.00 0.00 H new ATOM 0 HB THR A 18 77.151 5.394 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.525 4.773 5.291 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.251 4.650 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.041 4.128 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.575 2.960 4.027 1.00 0.00 H new ATOM 286 N LEU A 19 75.900 2.565 0.857 1.00 0.00 N ATOM 287 CA LEU A 19 75.009 2.587 -0.339 1.00 0.00 C ATOM 288 C LEU A 19 73.676 1.913 -0.009 1.00 0.00 C ATOM 289 O LEU A 19 73.550 1.210 0.973 1.00 0.00 O ATOM 290 CB LEU A 19 75.754 1.802 -1.419 1.00 0.00 C ATOM 291 CG LEU A 19 76.318 0.513 -0.824 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.674 -0.690 -1.515 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.832 0.474 -1.041 1.00 0.00 C ATOM 0 H LEU A 19 75.778 1.761 1.473 1.00 0.00 H new ATOM 0 HA LEU A 19 74.785 3.603 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.079 1.569 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.562 2.408 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 19 76.102 0.478 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.075 -1.611 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.595 -0.662 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.892 -0.656 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.237 -0.445 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.047 0.507 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.292 1.333 -0.552 1.00 0.00 H new ATOM 305 N LEU A 20 72.680 2.128 -0.821 1.00 0.00 N ATOM 306 CA LEU A 20 71.351 1.504 -0.551 1.00 0.00 C ATOM 307 C LEU A 20 70.983 0.516 -1.662 1.00 0.00 C ATOM 308 O LEU A 20 70.725 0.901 -2.785 1.00 0.00 O ATOM 309 CB LEU A 20 70.363 2.671 -0.531 1.00 0.00 C ATOM 310 CG LEU A 20 68.982 2.164 -0.113 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.503 2.940 1.116 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.995 2.370 -1.263 1.00 0.00 C ATOM 0 H LEU A 20 72.726 2.707 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 20 71.347 0.943 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.705 3.439 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.309 3.133 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 20 69.042 1.103 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.519 2.578 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.206 2.794 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.442 4.001 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.010 2.009 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 20 67.935 3.431 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.336 1.817 -2.138 1.00 0.00 H new ATOM 324 N ALA A 21 70.946 -0.754 -1.357 1.00 0.00 N ATOM 325 CA ALA A 21 70.581 -1.756 -2.399 1.00 0.00 C ATOM 326 C ALA A 21 69.084 -1.660 -2.707 1.00 0.00 C ATOM 327 O ALA A 21 68.268 -1.523 -1.817 1.00 0.00 O ATOM 328 CB ALA A 21 70.917 -3.114 -1.781 1.00 0.00 C ATOM 0 H ALA A 21 71.152 -1.139 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 21 71.114 -1.597 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.675 -3.906 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.980 -3.152 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.335 -3.253 -0.870 1.00 0.00 H new ATOM 334 N LYS A 22 68.715 -1.723 -3.958 1.00 0.00 N ATOM 335 CA LYS A 22 67.270 -1.627 -4.308 1.00 0.00 C ATOM 336 C LYS A 22 66.888 -2.727 -5.300 1.00 0.00 C ATOM 337 O LYS A 22 67.719 -3.493 -5.746 1.00 0.00 O ATOM 338 CB LYS A 22 67.108 -0.249 -4.949 1.00 0.00 C ATOM 339 CG LYS A 22 65.625 0.123 -5.000 1.00 0.00 C ATOM 340 CD LYS A 22 65.122 0.025 -6.441 1.00 0.00 C ATOM 341 CE LYS A 22 64.237 1.232 -6.757 1.00 0.00 C ATOM 342 NZ LYS A 22 62.915 0.908 -6.154 1.00 0.00 N ATOM 0 H LYS A 22 69.349 -1.836 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 22 66.627 -1.751 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.661 0.496 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.527 -0.254 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.050 -0.543 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.480 1.135 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.966 -0.011 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.559 -0.898 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.651 2.147 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.153 1.389 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.252 1.690 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.543 0.036 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.025 0.771 -5.129 1.00 0.00 H new ATOM 356 N ASN A 23 65.633 -2.810 -5.647 1.00 0.00 N ATOM 357 CA ASN A 23 65.193 -3.859 -6.610 1.00 0.00 C ATOM 358 C ASN A 23 65.426 -5.249 -6.015 1.00 0.00 C ATOM 359 O ASN A 23 65.378 -6.248 -6.706 1.00 0.00 O ATOM 360 CB ASN A 23 66.063 -3.653 -7.850 1.00 0.00 C ATOM 361 CG ASN A 23 65.321 -4.166 -9.086 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.040 -3.411 -9.997 1.00 0.00 O ATOM 363 ND2 ASN A 23 64.990 -5.426 -9.157 1.00 0.00 N ATOM 0 H ASN A 23 64.893 -2.197 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 23 64.131 -3.786 -6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.301 -2.596 -7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.009 -4.182 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.495 -5.778 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.226 -6.059 -8.393 1.00 0.00 H new ATOM 370 N LEU A 24 65.678 -5.320 -4.737 1.00 0.00 N ATOM 371 CA LEU A 24 65.914 -6.645 -4.096 1.00 0.00 C ATOM 372 C LEU A 24 64.636 -7.487 -4.140 1.00 0.00 C ATOM 373 O LEU A 24 63.736 -7.225 -4.912 1.00 0.00 O ATOM 374 CB LEU A 24 66.291 -6.322 -2.649 1.00 0.00 C ATOM 375 CG LEU A 24 67.811 -6.366 -2.494 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.183 -6.102 -1.033 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.326 -7.746 -2.908 1.00 0.00 C ATOM 0 H LEU A 24 65.731 -4.518 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 24 66.691 -7.217 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.916 -5.336 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.825 -7.039 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 24 68.263 -5.603 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.267 -6.133 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.816 -5.120 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.731 -6.865 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.410 -7.778 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.874 -8.508 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.061 -7.936 -3.948 1.00 0.00 H new ATOM 389 N SER A 25 64.550 -8.494 -3.315 1.00 0.00 N ATOM 390 CA SER A 25 63.329 -9.348 -3.307 1.00 0.00 C ATOM 391 C SER A 25 62.693 -9.337 -1.916 1.00 0.00 C ATOM 392 O SER A 25 63.097 -8.593 -1.044 1.00 0.00 O ATOM 393 CB SER A 25 63.823 -10.749 -3.661 1.00 0.00 C ATOM 394 OG SER A 25 62.732 -11.525 -4.137 1.00 0.00 O ATOM 0 H SER A 25 65.272 -8.762 -2.646 1.00 0.00 H new ATOM 0 HA SER A 25 62.571 -8.997 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.602 -10.691 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.267 -11.223 -2.785 1.00 0.00 H new ATOM 0 HG SER A 25 63.049 -12.419 -4.383 1.00 0.00 H new ATOM 400 N PHE A 26 61.701 -10.155 -1.700 1.00 0.00 N ATOM 401 CA PHE A 26 61.042 -10.190 -0.367 1.00 0.00 C ATOM 402 C PHE A 26 61.737 -11.210 0.539 1.00 0.00 C ATOM 403 O PHE A 26 61.743 -11.081 1.747 1.00 0.00 O ATOM 404 CB PHE A 26 59.606 -10.617 -0.662 1.00 0.00 C ATOM 405 CG PHE A 26 58.705 -9.406 -0.636 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.908 -8.363 -1.548 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.664 -9.326 0.297 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.072 -7.240 -1.526 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.828 -8.204 0.319 1.00 0.00 C ATOM 410 CZ PHE A 26 57.032 -7.161 -0.593 1.00 0.00 C ATOM 0 H PHE A 26 61.319 -10.801 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 26 61.087 -9.232 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.553 -11.102 -1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.273 -11.347 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.710 -8.425 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.506 -10.131 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.230 -6.435 -2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.026 -8.142 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.386 -6.295 -0.576 1.00 0.00 H new ATOM 420 N ASN A 27 62.321 -12.224 -0.038 1.00 0.00 N ATOM 421 CA ASN A 27 63.013 -13.254 0.781 1.00 0.00 C ATOM 422 C ASN A 27 64.472 -12.853 1.018 1.00 0.00 C ATOM 423 O ASN A 27 65.084 -13.249 1.991 1.00 0.00 O ATOM 424 CB ASN A 27 62.937 -14.536 -0.046 1.00 0.00 C ATOM 425 CG ASN A 27 63.437 -15.715 0.791 1.00 0.00 C ATOM 426 OD1 ASN A 27 64.517 -16.222 0.564 1.00 0.00 O ATOM 427 ND2 ASN A 27 62.691 -16.175 1.759 1.00 0.00 N ATOM 0 H ASN A 27 62.348 -12.382 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 27 62.555 -13.375 1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.911 -14.714 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.540 -14.435 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.015 -16.960 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.784 -15.750 1.950 1.00 0.00 H new ATOM 434 N ILE A 28 65.035 -12.073 0.135 1.00 0.00 N ATOM 435 CA ILE A 28 66.454 -11.648 0.309 1.00 0.00 C ATOM 436 C ILE A 28 66.723 -11.280 1.770 1.00 0.00 C ATOM 437 O ILE A 28 65.822 -10.930 2.507 1.00 0.00 O ATOM 438 CB ILE A 28 66.613 -10.423 -0.588 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.032 -9.866 -0.446 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.603 -9.353 -0.173 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.000 -10.717 -1.272 1.00 0.00 C ATOM 0 H ILE A 28 64.573 -11.712 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 28 67.156 -12.440 0.047 1.00 0.00 H new ATOM 0 HB ILE A 28 66.436 -10.708 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.063 -8.830 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.332 -9.869 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 28 65.716 -8.478 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.592 -9.748 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 28 65.780 -9.069 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.010 -10.320 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.977 -11.746 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.703 -10.691 -2.321 1.00 0.00 H new ATOM 453 N THR A 29 67.954 -11.353 2.195 1.00 0.00 N ATOM 454 CA THR A 29 68.273 -11.004 3.609 1.00 0.00 C ATOM 455 C THR A 29 69.753 -10.637 3.748 1.00 0.00 C ATOM 456 O THR A 29 70.531 -10.779 2.823 1.00 0.00 O ATOM 457 CB THR A 29 67.959 -12.270 4.409 1.00 0.00 C ATOM 458 OG1 THR A 29 68.343 -13.411 3.655 1.00 0.00 O ATOM 459 CG2 THR A 29 66.460 -12.331 4.704 1.00 0.00 C ATOM 0 H THR A 29 68.751 -11.638 1.626 1.00 0.00 H new ATOM 0 HA THR A 29 67.701 -10.145 3.959 1.00 0.00 H new ATOM 0 HB THR A 29 68.510 -12.253 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.874 -13.407 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.238 -13.233 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 29 66.167 -11.455 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.905 -12.348 3.766 1.00 0.00 H new ATOM 467 N GLU A 30 70.150 -10.170 4.901 1.00 0.00 N ATOM 468 CA GLU A 30 71.579 -9.800 5.099 1.00 0.00 C ATOM 469 C GLU A 30 72.472 -10.947 4.632 1.00 0.00 C ATOM 470 O GLU A 30 73.580 -10.743 4.181 1.00 0.00 O ATOM 471 CB GLU A 30 71.731 -9.575 6.602 1.00 0.00 C ATOM 472 CG GLU A 30 72.729 -8.443 6.850 1.00 0.00 C ATOM 473 CD GLU A 30 74.091 -9.036 7.216 1.00 0.00 C ATOM 474 OE1 GLU A 30 74.118 -9.969 8.001 1.00 0.00 O ATOM 475 OE2 GLU A 30 75.085 -8.545 6.705 1.00 0.00 O ATOM 0 H GLU A 30 69.548 -10.029 5.712 1.00 0.00 H new ATOM 0 HA GLU A 30 71.865 -8.914 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.766 -9.326 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 30 72.075 -10.490 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.819 -7.821 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.373 -7.799 7.654 1.00 0.00 H new ATOM 482 N ASP A 31 71.990 -12.155 4.727 1.00 0.00 N ATOM 483 CA ASP A 31 72.803 -13.318 4.277 1.00 0.00 C ATOM 484 C ASP A 31 73.144 -13.157 2.797 1.00 0.00 C ATOM 485 O ASP A 31 74.294 -13.053 2.419 1.00 0.00 O ATOM 486 CB ASP A 31 71.907 -14.537 4.497 1.00 0.00 C ATOM 487 CG ASP A 31 71.644 -14.714 5.994 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.504 -15.257 6.667 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.586 -14.304 6.440 1.00 0.00 O ATOM 0 H ASP A 31 71.068 -12.387 5.097 1.00 0.00 H new ATOM 0 HA ASP A 31 73.744 -13.410 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.965 -14.410 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.384 -15.430 4.093 1.00 0.00 H new ATOM 494 N GLU A 32 72.148 -13.121 1.959 1.00 0.00 N ATOM 495 CA GLU A 32 72.406 -12.949 0.503 1.00 0.00 C ATOM 496 C GLU A 32 73.165 -11.643 0.277 1.00 0.00 C ATOM 497 O GLU A 32 74.059 -11.557 -0.548 1.00 0.00 O ATOM 498 CB GLU A 32 71.023 -12.894 -0.146 1.00 0.00 C ATOM 499 CG GLU A 32 70.329 -14.247 0.022 1.00 0.00 C ATOM 500 CD GLU A 32 68.814 -14.043 0.057 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.296 -13.768 1.127 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.195 -14.167 -0.988 1.00 0.00 O ATOM 0 H GLU A 32 71.165 -13.203 2.219 1.00 0.00 H new ATOM 0 HA GLU A 32 73.009 -13.754 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.425 -12.107 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.115 -12.649 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.598 -14.910 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.663 -14.727 0.942 1.00 0.00 H new ATOM 509 N LEU A 33 72.833 -10.632 1.028 1.00 0.00 N ATOM 510 CA LEU A 33 73.546 -9.339 0.884 1.00 0.00 C ATOM 511 C LEU A 33 74.964 -9.523 1.401 1.00 0.00 C ATOM 512 O LEU A 33 75.898 -8.898 0.938 1.00 0.00 O ATOM 513 CB LEU A 33 72.772 -8.352 1.756 1.00 0.00 C ATOM 514 CG LEU A 33 71.379 -8.130 1.164 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.455 -7.549 2.235 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.475 -7.153 -0.010 1.00 0.00 C ATOM 0 H LEU A 33 72.098 -10.647 1.735 1.00 0.00 H new ATOM 0 HA LEU A 33 73.602 -8.985 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.689 -8.736 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.308 -7.405 1.816 1.00 0.00 H new ATOM 0 HG LEU A 33 70.977 -9.081 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.463 -7.391 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.387 -8.244 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.856 -6.598 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.483 -6.994 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.877 -6.202 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.133 -7.566 -0.774 1.00 0.00 H new ATOM 528 N LYS A 34 75.129 -10.402 2.349 1.00 0.00 N ATOM 529 CA LYS A 34 76.483 -10.658 2.889 1.00 0.00 C ATOM 530 C LYS A 34 77.250 -11.522 1.896 1.00 0.00 C ATOM 531 O LYS A 34 78.463 -11.506 1.835 1.00 0.00 O ATOM 532 CB LYS A 34 76.263 -11.401 4.208 1.00 0.00 C ATOM 533 CG LYS A 34 77.617 -11.751 4.828 1.00 0.00 C ATOM 534 CD LYS A 34 78.289 -10.476 5.341 1.00 0.00 C ATOM 535 CE LYS A 34 77.956 -10.284 6.822 1.00 0.00 C ATOM 536 NZ LYS A 34 79.216 -10.612 7.545 1.00 0.00 N ATOM 0 H LYS A 34 74.381 -10.952 2.771 1.00 0.00 H new ATOM 0 HA LYS A 34 77.058 -9.746 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.686 -10.782 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.685 -12.309 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.482 -12.458 5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.253 -12.237 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 34 79.369 -10.541 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.947 -9.615 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.638 -9.261 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.141 -10.939 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.067 -10.503 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.490 -11.593 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.972 -9.968 7.235 1.00 0.00 H new ATOM 550 N GLU A 35 76.530 -12.262 1.107 1.00 0.00 N ATOM 551 CA GLU A 35 77.175 -13.126 0.088 1.00 0.00 C ATOM 552 C GLU A 35 77.534 -12.281 -1.135 1.00 0.00 C ATOM 553 O GLU A 35 78.530 -12.509 -1.791 1.00 0.00 O ATOM 554 CB GLU A 35 76.124 -14.177 -0.270 1.00 0.00 C ATOM 555 CG GLU A 35 76.762 -15.261 -1.144 1.00 0.00 C ATOM 556 CD GLU A 35 76.893 -14.747 -2.579 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.929 -14.189 -3.077 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.954 -14.922 -3.155 1.00 0.00 O ATOM 0 H GLU A 35 75.511 -12.305 1.125 1.00 0.00 H new ATOM 0 HA GLU A 35 78.094 -13.589 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.715 -14.621 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.293 -13.710 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.743 -15.529 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.153 -16.165 -1.124 1.00 0.00 H new ATOM 565 N VAL A 36 76.733 -11.294 -1.431 1.00 0.00 N ATOM 566 CA VAL A 36 77.030 -10.418 -2.596 1.00 0.00 C ATOM 567 C VAL A 36 78.003 -9.323 -2.163 1.00 0.00 C ATOM 568 O VAL A 36 78.918 -8.969 -2.879 1.00 0.00 O ATOM 569 CB VAL A 36 75.681 -9.815 -2.997 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.909 -8.579 -3.871 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.875 -10.850 -3.784 1.00 0.00 C ATOM 0 H VAL A 36 75.885 -11.058 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 36 77.488 -10.956 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 36 75.133 -9.528 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.947 -8.152 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.484 -7.840 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.458 -8.864 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.914 -10.422 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.426 -11.136 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.709 -11.731 -3.163 1.00 0.00 H new ATOM 581 N PHE A 37 77.809 -8.788 -0.990 1.00 0.00 N ATOM 582 CA PHE A 37 78.710 -7.723 -0.497 1.00 0.00 C ATOM 583 C PHE A 37 79.793 -8.326 0.402 1.00 0.00 C ATOM 584 O PHE A 37 79.927 -7.969 1.555 1.00 0.00 O ATOM 585 CB PHE A 37 77.796 -6.802 0.303 1.00 0.00 C ATOM 586 CG PHE A 37 76.740 -6.221 -0.606 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.111 -5.597 -1.803 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.388 -6.307 -0.253 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.131 -5.059 -2.646 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.407 -5.769 -1.096 1.00 0.00 C ATOM 591 CZ PHE A 37 74.780 -5.146 -2.293 1.00 0.00 C ATOM 0 H PHE A 37 77.058 -9.048 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 37 79.227 -7.198 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.326 -7.356 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.379 -6.001 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.154 -5.531 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.101 -6.789 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.418 -4.577 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.364 -5.835 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.024 -4.732 -2.944 1.00 0.00 H new ATOM 601 N GLU A 38 80.562 -9.245 -0.115 1.00 0.00 N ATOM 602 CA GLU A 38 81.631 -9.879 0.712 1.00 0.00 C ATOM 603 C GLU A 38 82.754 -8.878 1.002 1.00 0.00 C ATOM 604 O GLU A 38 83.690 -9.175 1.716 1.00 0.00 O ATOM 605 CB GLU A 38 82.155 -11.036 -0.140 1.00 0.00 C ATOM 606 CG GLU A 38 82.049 -12.342 0.650 1.00 0.00 C ATOM 607 CD GLU A 38 81.129 -13.314 -0.090 1.00 0.00 C ATOM 608 OE1 GLU A 38 81.249 -13.408 -1.300 1.00 0.00 O ATOM 609 OE2 GLU A 38 80.319 -13.949 0.567 1.00 0.00 O ATOM 0 H GLU A 38 80.497 -9.585 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 38 81.254 -10.216 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.581 -11.110 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.192 -10.853 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.037 -12.784 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.659 -12.145 1.649 1.00 0.00 H new ATOM 616 N ASP A 39 82.670 -7.697 0.454 1.00 0.00 N ATOM 617 CA ASP A 39 83.738 -6.687 0.704 1.00 0.00 C ATOM 618 C ASP A 39 83.195 -5.536 1.556 1.00 0.00 C ATOM 619 O ASP A 39 83.820 -4.503 1.691 1.00 0.00 O ATOM 620 CB ASP A 39 84.139 -6.184 -0.682 1.00 0.00 C ATOM 621 CG ASP A 39 85.490 -5.471 -0.595 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.506 -4.322 -0.184 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.486 -6.084 -0.941 1.00 0.00 O ATOM 0 H ASP A 39 81.911 -7.388 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 39 84.584 -7.109 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 39 84.201 -7.019 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.380 -5.503 -1.067 1.00 0.00 H new ATOM 628 N ALA A 40 82.035 -5.703 2.130 1.00 0.00 N ATOM 629 CA ALA A 40 81.459 -4.614 2.969 1.00 0.00 C ATOM 630 C ALA A 40 81.460 -5.021 4.444 1.00 0.00 C ATOM 631 O ALA A 40 81.758 -6.147 4.788 1.00 0.00 O ATOM 632 CB ALA A 40 80.026 -4.440 2.463 1.00 0.00 C ATOM 0 H ALA A 40 81.463 -6.544 2.055 1.00 0.00 H new ATOM 0 HA ALA A 40 82.034 -3.691 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.532 -3.653 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.043 -4.168 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.480 -5.375 2.588 1.00 0.00 H new ATOM 638 N LEU A 41 81.123 -4.113 5.320 1.00 0.00 N ATOM 639 CA LEU A 41 81.099 -4.443 6.767 1.00 0.00 C ATOM 640 C LEU A 41 79.777 -5.120 7.120 1.00 0.00 C ATOM 641 O LEU A 41 79.744 -6.164 7.740 1.00 0.00 O ATOM 642 CB LEU A 41 81.205 -3.101 7.492 1.00 0.00 C ATOM 643 CG LEU A 41 82.331 -2.265 6.887 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.305 -0.866 7.504 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.675 -2.930 7.186 1.00 0.00 C ATOM 0 H LEU A 41 80.863 -3.154 5.091 1.00 0.00 H new ATOM 0 HA LEU A 41 81.905 -5.121 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.260 -2.562 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.394 -3.266 8.553 1.00 0.00 H new ATOM 0 HG LEU A 41 82.196 -2.192 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.107 -0.265 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.345 -0.394 7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.444 -0.941 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.480 -2.334 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.814 -3.001 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.691 -3.930 6.752 1.00 0.00 H new ATOM 657 N GLU A 42 78.687 -4.524 6.727 1.00 0.00 N ATOM 658 CA GLU A 42 77.357 -5.119 7.039 1.00 0.00 C ATOM 659 C GLU A 42 76.288 -4.553 6.104 1.00 0.00 C ATOM 660 O GLU A 42 76.497 -3.569 5.424 1.00 0.00 O ATOM 661 CB GLU A 42 77.072 -4.712 8.484 1.00 0.00 C ATOM 662 CG GLU A 42 77.876 -5.601 9.434 1.00 0.00 C ATOM 663 CD GLU A 42 77.076 -5.833 10.717 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.924 -5.433 10.753 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.630 -6.404 11.642 1.00 0.00 O ATOM 0 H GLU A 42 78.659 -3.650 6.203 1.00 0.00 H new ATOM 0 HA GLU A 42 77.350 -6.201 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.337 -3.666 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.007 -4.806 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.099 -6.554 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.831 -5.130 9.668 1.00 0.00 H new ATOM 672 N ILE A 43 75.142 -5.170 6.069 1.00 0.00 N ATOM 673 CA ILE A 43 74.055 -4.670 5.182 1.00 0.00 C ATOM 674 C ILE A 43 72.803 -4.365 6.008 1.00 0.00 C ATOM 675 O ILE A 43 72.595 -4.912 7.071 1.00 0.00 O ATOM 676 CB ILE A 43 73.793 -5.811 4.194 1.00 0.00 C ATOM 677 CG1 ILE A 43 74.829 -5.752 3.070 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.389 -5.679 3.596 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.868 -6.857 3.273 1.00 0.00 C ATOM 0 H ILE A 43 74.910 -5.999 6.616 1.00 0.00 H new ATOM 0 HA ILE A 43 74.326 -3.747 4.669 1.00 0.00 H new ATOM 0 HB ILE A 43 73.868 -6.763 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.339 -5.872 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.317 -4.777 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.214 -6.495 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.648 -5.721 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.305 -4.727 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.606 -6.814 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.366 -6.717 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.374 -7.828 3.260 1.00 0.00 H new ATOM 691 N ARG A 44 71.969 -3.497 5.514 1.00 0.00 N ATOM 692 CA ARG A 44 70.725 -3.148 6.251 1.00 0.00 C ATOM 693 C ARG A 44 69.506 -3.424 5.368 1.00 0.00 C ATOM 694 O ARG A 44 69.556 -3.275 4.163 1.00 0.00 O ATOM 695 CB ARG A 44 70.854 -1.654 6.551 1.00 0.00 C ATOM 696 CG ARG A 44 71.365 -1.465 7.979 1.00 0.00 C ATOM 697 CD ARG A 44 70.256 -0.859 8.843 1.00 0.00 C ATOM 698 NE ARG A 44 69.200 -1.907 8.905 1.00 0.00 N ATOM 699 CZ ARG A 44 67.976 -1.581 9.216 1.00 0.00 C ATOM 700 NH1 ARG A 44 67.140 -1.216 8.283 1.00 0.00 N ATOM 701 NH2 ARG A 44 67.587 -1.622 10.461 1.00 0.00 N ATOM 0 H ARG A 44 72.096 -3.011 4.626 1.00 0.00 H new ATOM 0 HA ARG A 44 70.596 -3.732 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.539 -1.188 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.888 -1.163 6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.681 -2.423 8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.239 -0.813 7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.623 -0.609 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.873 0.062 8.404 1.00 0.00 H new ATOM 0 HE ARG A 44 69.434 -2.879 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 44 67.444 -1.186 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 44 66.183 -0.961 8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 44 68.240 -1.909 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 44 66.630 -1.367 10.705 1.00 0.00 H new ATOM 715 N LEU A 45 68.413 -3.831 5.953 1.00 0.00 N ATOM 716 CA LEU A 45 67.198 -4.121 5.142 1.00 0.00 C ATOM 717 C LEU A 45 66.276 -2.902 5.126 1.00 0.00 C ATOM 718 O LEU A 45 66.279 -2.100 6.039 1.00 0.00 O ATOM 719 CB LEU A 45 66.521 -5.298 5.845 1.00 0.00 C ATOM 720 CG LEU A 45 66.090 -6.334 4.807 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.105 -5.696 3.826 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.319 -6.830 4.042 1.00 0.00 C ATOM 0 H LEU A 45 68.309 -3.975 6.957 1.00 0.00 H new ATOM 0 HA LEU A 45 67.438 -4.353 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.206 -5.750 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.655 -4.950 6.408 1.00 0.00 H new ATOM 0 HG LEU A 45 65.610 -7.173 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 45 64.798 -6.435 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.229 -5.341 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.585 -4.857 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.013 -7.569 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.798 -5.990 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.022 -7.285 4.739 1.00 0.00 H new ATOM 734 N VAL A 46 65.492 -2.750 4.096 1.00 0.00 N ATOM 735 CA VAL A 46 64.580 -1.576 4.031 1.00 0.00 C ATOM 736 C VAL A 46 63.373 -1.873 3.135 1.00 0.00 C ATOM 737 O VAL A 46 63.504 -2.365 2.020 1.00 0.00 O ATOM 738 CB VAL A 46 65.428 -0.450 3.448 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.562 0.797 3.267 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.580 -0.139 4.405 1.00 0.00 C ATOM 0 H VAL A 46 65.443 -3.385 3.300 1.00 0.00 H new ATOM 0 HA VAL A 46 64.176 -1.317 5.010 1.00 0.00 H new ATOM 0 HB VAL A 46 65.829 -0.755 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.167 1.603 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.739 0.573 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.162 1.106 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.189 0.665 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.178 0.169 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.195 -1.029 4.535 1.00 0.00 H new ATOM 750 N SER A 47 62.198 -1.575 3.626 1.00 0.00 N ATOM 751 CA SER A 47 60.957 -1.825 2.843 1.00 0.00 C ATOM 752 C SER A 47 60.192 -0.516 2.631 1.00 0.00 C ATOM 753 O SER A 47 60.761 0.558 2.654 1.00 0.00 O ATOM 754 CB SER A 47 60.141 -2.782 3.707 1.00 0.00 C ATOM 755 OG SER A 47 59.146 -2.049 4.411 1.00 0.00 O ATOM 0 H SER A 47 62.047 -1.164 4.547 1.00 0.00 H new ATOM 0 HA SER A 47 61.165 -2.235 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.674 -3.544 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.793 -3.300 4.410 1.00 0.00 H new ATOM 0 HG SER A 47 58.619 -2.662 4.965 1.00 0.00 H new ATOM 819 N SER A 52 57.973 -5.420 2.812 1.00 0.00 N ATOM 820 CA SER A 52 59.238 -5.564 2.035 1.00 0.00 C ATOM 821 C SER A 52 59.160 -4.772 0.731 1.00 0.00 C ATOM 822 O SER A 52 58.215 -4.884 -0.025 1.00 0.00 O ATOM 823 CB SER A 52 59.354 -7.053 1.743 1.00 0.00 C ATOM 824 OG SER A 52 60.724 -7.432 1.768 1.00 0.00 O ATOM 0 HA SER A 52 60.099 -5.184 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.793 -7.625 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.920 -7.279 0.769 1.00 0.00 H new ATOM 0 HG SER A 52 60.814 -8.303 2.207 1.00 0.00 H new ATOM 830 N LYS A 53 60.155 -3.979 0.461 1.00 0.00 N ATOM 831 CA LYS A 53 60.155 -3.178 -0.795 1.00 0.00 C ATOM 832 C LYS A 53 61.388 -3.529 -1.626 1.00 0.00 C ATOM 833 O LYS A 53 61.491 -3.181 -2.785 1.00 0.00 O ATOM 834 CB LYS A 53 60.208 -1.719 -0.345 1.00 0.00 C ATOM 835 CG LYS A 53 60.156 -0.804 -1.570 1.00 0.00 C ATOM 836 CD LYS A 53 58.733 -0.274 -1.755 1.00 0.00 C ATOM 837 CE LYS A 53 58.514 0.100 -3.223 1.00 0.00 C ATOM 838 NZ LYS A 53 57.298 -0.657 -3.634 1.00 0.00 N ATOM 0 H LYS A 53 60.972 -3.849 1.057 1.00 0.00 H new ATOM 0 HA LYS A 53 59.279 -3.373 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.372 -1.502 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.121 -1.535 0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.851 0.027 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.469 -1.351 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.010 -1.030 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 53 58.572 0.597 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.369 1.174 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.375 -0.174 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 57.082 -0.453 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 57.468 -1.676 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.494 -0.371 -3.040 1.00 0.00 H new ATOM 852 N GLY A 54 62.324 -4.221 -1.037 1.00 0.00 N ATOM 853 CA GLY A 54 63.549 -4.601 -1.785 1.00 0.00 C ATOM 854 C GLY A 54 64.623 -3.527 -1.601 1.00 0.00 C ATOM 855 O GLY A 54 65.438 -3.305 -2.474 1.00 0.00 O ATOM 0 H GLY A 54 62.291 -4.539 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.919 -5.563 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.318 -4.719 -2.844 1.00 0.00 H new ATOM 859 N ILE A 55 64.643 -2.858 -0.478 1.00 0.00 N ATOM 860 CA ILE A 55 65.684 -1.813 -0.273 1.00 0.00 C ATOM 861 C ILE A 55 66.600 -2.227 0.879 1.00 0.00 C ATOM 862 O ILE A 55 66.185 -2.911 1.791 1.00 0.00 O ATOM 863 CB ILE A 55 64.916 -0.533 0.070 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.669 -0.424 -0.814 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.815 0.679 -0.181 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.090 -0.239 -2.273 1.00 0.00 C ATOM 0 H ILE A 55 63.992 -2.989 0.296 1.00 0.00 H new ATOM 0 HA ILE A 55 66.313 -1.670 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 55 64.617 -0.563 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.059 -1.321 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.055 0.417 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.271 1.592 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.704 0.608 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.111 0.701 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.202 -0.162 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.682 0.671 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.686 -1.095 -2.591 1.00 0.00 H new ATOM 878 N ALA A 56 67.843 -1.830 0.850 1.00 0.00 N ATOM 879 CA ALA A 56 68.765 -2.220 1.954 1.00 0.00 C ATOM 880 C ALA A 56 69.953 -1.258 2.023 1.00 0.00 C ATOM 881 O ALA A 56 70.430 -0.773 1.018 1.00 0.00 O ATOM 882 CB ALA A 56 69.237 -3.629 1.596 1.00 0.00 C ATOM 0 H ALA A 56 68.258 -1.257 0.115 1.00 0.00 H new ATOM 0 HA ALA A 56 68.276 -2.187 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.922 -3.989 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.377 -4.296 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.748 -3.608 0.634 1.00 0.00 H new ATOM 888 N TYR A 57 70.434 -0.984 3.204 1.00 0.00 N ATOM 889 CA TYR A 57 71.593 -0.058 3.340 1.00 0.00 C ATOM 890 C TYR A 57 72.886 -0.861 3.497 1.00 0.00 C ATOM 891 O TYR A 57 73.063 -1.590 4.452 1.00 0.00 O ATOM 892 CB TYR A 57 71.308 0.756 4.602 1.00 0.00 C ATOM 893 CG TYR A 57 71.000 2.185 4.222 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.038 3.118 4.106 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.677 2.576 3.983 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.752 4.442 3.753 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.392 3.900 3.630 1.00 0.00 C ATOM 898 CZ TYR A 57 70.430 4.833 3.514 1.00 0.00 C ATOM 899 OH TYR A 57 70.149 6.139 3.166 1.00 0.00 O ATOM 0 H TYR A 57 70.075 -1.361 4.081 1.00 0.00 H new ATOM 0 HA TYR A 57 71.718 0.582 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.467 0.324 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.169 0.724 5.270 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.059 2.816 4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.877 1.856 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.552 5.162 3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.371 4.202 3.447 1.00 0.00 H new ATOM 0 HH TYR A 57 69.183 6.242 3.035 1.00 0.00 H new ATOM 909 N ILE A 58 73.791 -0.737 2.566 1.00 0.00 N ATOM 910 CA ILE A 58 75.070 -1.500 2.667 1.00 0.00 C ATOM 911 C ILE A 58 76.190 -0.571 3.147 1.00 0.00 C ATOM 912 O ILE A 58 76.423 0.477 2.578 1.00 0.00 O ATOM 913 CB ILE A 58 75.372 -2.012 1.251 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.072 -2.244 0.471 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.134 -3.332 1.343 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.187 -3.227 1.239 1.00 0.00 C ATOM 0 H ILE A 58 73.702 -0.143 1.742 1.00 0.00 H new ATOM 0 HA ILE A 58 74.996 -2.323 3.377 1.00 0.00 H new ATOM 0 HB ILE A 58 75.970 -1.263 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.547 -1.299 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.295 -2.637 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.350 -3.698 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.069 -3.176 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.528 -4.066 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.263 -3.393 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.713 -4.174 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.953 -2.816 2.221 1.00 0.00 H new ATOM 928 N GLU A 59 76.884 -0.947 4.186 1.00 0.00 N ATOM 929 CA GLU A 59 77.987 -0.081 4.692 1.00 0.00 C ATOM 930 C GLU A 59 79.326 -0.806 4.552 1.00 0.00 C ATOM 931 O GLU A 59 79.635 -1.711 5.304 1.00 0.00 O ATOM 932 CB GLU A 59 77.660 0.182 6.167 1.00 0.00 C ATOM 933 CG GLU A 59 77.095 -1.085 6.816 1.00 0.00 C ATOM 934 CD GLU A 59 77.502 -1.130 8.290 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.584 -0.658 8.600 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.727 -1.635 9.084 1.00 0.00 O ATOM 0 H GLU A 59 76.736 -1.813 4.705 1.00 0.00 H new ATOM 0 HA GLU A 59 78.069 0.851 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.559 0.501 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 59 76.938 0.994 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.009 -1.098 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.468 -1.969 6.298 1.00 0.00 H new ATOM 943 N PHE A 60 80.120 -0.421 3.590 1.00 0.00 N ATOM 944 CA PHE A 60 81.435 -1.092 3.397 1.00 0.00 C ATOM 945 C PHE A 60 82.499 -0.453 4.286 1.00 0.00 C ATOM 946 O PHE A 60 82.246 0.498 4.997 1.00 0.00 O ATOM 947 CB PHE A 60 81.783 -0.884 1.925 1.00 0.00 C ATOM 948 CG PHE A 60 80.839 -1.690 1.068 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.519 -1.262 0.885 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.283 -2.869 0.457 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.644 -2.011 0.090 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.409 -3.618 -0.338 1.00 0.00 C ATOM 953 CZ PHE A 60 79.089 -3.190 -0.521 1.00 0.00 C ATOM 0 H PHE A 60 79.914 0.329 2.930 1.00 0.00 H new ATOM 0 HA PHE A 60 81.391 -2.148 3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.711 0.173 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.813 -1.189 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.176 -0.354 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.301 -3.200 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.626 -1.680 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.753 -4.526 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.414 -3.769 -1.133 1.00 0.00 H new ATOM 963 N LYS A 61 83.690 -0.974 4.244 1.00 0.00 N ATOM 964 CA LYS A 61 84.787 -0.407 5.081 1.00 0.00 C ATOM 965 C LYS A 61 85.205 0.962 4.543 1.00 0.00 C ATOM 966 O LYS A 61 85.806 1.756 5.238 1.00 0.00 O ATOM 967 CB LYS A 61 85.937 -1.408 4.958 1.00 0.00 C ATOM 968 CG LYS A 61 86.871 -1.263 6.161 1.00 0.00 C ATOM 969 CD LYS A 61 88.308 -1.565 5.732 1.00 0.00 C ATOM 970 CE LYS A 61 89.264 -0.589 6.421 1.00 0.00 C ATOM 971 NZ LYS A 61 89.817 0.248 5.322 1.00 0.00 N ATOM 0 H LYS A 61 83.955 -1.771 3.665 1.00 0.00 H new ATOM 0 HA LYS A 61 84.484 -0.262 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.545 -2.424 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.488 -1.234 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.806 -0.253 6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.567 -1.945 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.568 -2.591 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.401 -1.478 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.742 0.021 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 61 90.056 -1.119 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.483 0.943 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.314 -0.359 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.041 0.746 4.841 1.00 0.00 H new ATOM 985 N SER A 62 84.886 1.244 3.310 1.00 0.00 N ATOM 986 CA SER A 62 85.262 2.563 2.728 1.00 0.00 C ATOM 987 C SER A 62 84.574 2.763 1.376 1.00 0.00 C ATOM 988 O SER A 62 83.801 1.936 0.928 1.00 0.00 O ATOM 989 CB SER A 62 86.778 2.506 2.551 1.00 0.00 C ATOM 990 OG SER A 62 87.185 3.536 1.660 1.00 0.00 O ATOM 0 H SER A 62 84.382 0.619 2.681 1.00 0.00 H new ATOM 0 HA SER A 62 84.958 3.393 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.273 2.626 3.515 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.074 1.533 2.160 1.00 0.00 H new ATOM 0 HG SER A 62 88.158 3.504 1.545 1.00 0.00 H new ATOM 996 N GLU A 63 84.852 3.856 0.723 1.00 0.00 N ATOM 997 CA GLU A 63 84.219 4.118 -0.601 1.00 0.00 C ATOM 998 C GLU A 63 84.711 3.099 -1.631 1.00 0.00 C ATOM 999 O GLU A 63 83.952 2.607 -2.441 1.00 0.00 O ATOM 1000 CB GLU A 63 84.668 5.528 -0.984 1.00 0.00 C ATOM 1001 CG GLU A 63 84.186 5.850 -2.400 1.00 0.00 C ATOM 1002 CD GLU A 63 85.200 6.766 -3.088 1.00 0.00 C ATOM 1003 OE1 GLU A 63 85.431 7.849 -2.577 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.728 6.370 -4.114 1.00 0.00 O ATOM 0 H GLU A 63 85.491 4.581 1.049 1.00 0.00 H new ATOM 0 HA GLU A 63 83.133 4.034 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.265 6.254 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.754 5.602 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.064 4.930 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.210 6.334 -2.362 1.00 0.00 H new ATOM 1011 N ALA A 64 85.975 2.776 -1.606 1.00 0.00 N ATOM 1012 CA ALA A 64 86.505 1.789 -2.583 1.00 0.00 C ATOM 1013 C ALA A 64 85.809 0.445 -2.387 1.00 0.00 C ATOM 1014 O ALA A 64 85.487 -0.244 -3.334 1.00 0.00 O ATOM 1015 CB ALA A 64 87.998 1.679 -2.272 1.00 0.00 C ATOM 0 H ALA A 64 86.661 3.153 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 64 86.334 2.091 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.460 0.966 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.468 2.655 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.132 1.338 -1.246 1.00 0.00 H new ATOM 1021 N ASP A 65 85.558 0.075 -1.162 1.00 0.00 N ATOM 1022 CA ASP A 65 84.864 -1.217 -0.910 1.00 0.00 C ATOM 1023 C ASP A 65 83.413 -1.096 -1.368 1.00 0.00 C ATOM 1024 O ASP A 65 82.928 -1.883 -2.159 1.00 0.00 O ATOM 1025 CB ASP A 65 84.938 -1.425 0.604 1.00 0.00 C ATOM 1026 CG ASP A 65 86.381 -1.729 1.007 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.185 -0.811 0.999 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.660 -2.877 1.317 1.00 0.00 O ATOM 0 H ASP A 65 85.802 0.609 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 65 85.313 -2.053 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.585 -0.533 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.286 -2.246 0.901 1.00 0.00 H new ATOM 1033 N ALA A 66 82.723 -0.098 -0.888 1.00 0.00 N ATOM 1034 CA ALA A 66 81.305 0.094 -1.303 1.00 0.00 C ATOM 1035 C ALA A 66 81.241 0.421 -2.798 1.00 0.00 C ATOM 1036 O ALA A 66 80.303 0.061 -3.481 1.00 0.00 O ATOM 1037 CB ALA A 66 80.807 1.275 -0.471 1.00 0.00 C ATOM 0 H ALA A 66 83.080 0.592 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 66 80.698 -0.797 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.766 1.481 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.887 1.033 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.413 2.155 -0.689 1.00 0.00 H new ATOM 1043 N GLU A 67 82.235 1.096 -3.313 1.00 0.00 N ATOM 1044 CA GLU A 67 82.228 1.436 -4.761 1.00 0.00 C ATOM 1045 C GLU A 67 82.646 0.217 -5.584 1.00 0.00 C ATOM 1046 O GLU A 67 82.033 -0.115 -6.581 1.00 0.00 O ATOM 1047 CB GLU A 67 83.250 2.563 -4.913 1.00 0.00 C ATOM 1048 CG GLU A 67 83.414 2.908 -6.395 1.00 0.00 C ATOM 1049 CD GLU A 67 82.304 3.871 -6.820 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.142 4.885 -6.161 1.00 0.00 O ATOM 1051 OE2 GLU A 67 81.635 3.578 -7.797 1.00 0.00 O ATOM 0 H GLU A 67 83.048 1.425 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 67 81.241 1.737 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.923 3.442 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.208 2.259 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.390 3.362 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.373 2.000 -6.997 1.00 0.00 H new ATOM 1058 N LYS A 68 83.682 -0.461 -5.166 1.00 0.00 N ATOM 1059 CA LYS A 68 84.132 -1.664 -5.917 1.00 0.00 C ATOM 1060 C LYS A 68 83.008 -2.694 -5.940 1.00 0.00 C ATOM 1061 O LYS A 68 82.719 -3.292 -6.956 1.00 0.00 O ATOM 1062 CB LYS A 68 85.336 -2.194 -5.135 1.00 0.00 C ATOM 1063 CG LYS A 68 85.834 -3.487 -5.782 1.00 0.00 C ATOM 1064 CD LYS A 68 86.509 -3.164 -7.117 1.00 0.00 C ATOM 1065 CE LYS A 68 87.286 -4.387 -7.607 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.695 -4.140 -7.191 1.00 0.00 N ATOM 0 H LYS A 68 84.233 -0.233 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 68 84.394 -1.443 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.132 -1.450 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.057 -2.378 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.538 -3.990 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.000 -4.171 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.760 -2.877 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 68 87.183 -2.315 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 68 86.899 -5.304 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.207 -4.497 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.291 -4.937 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 89.039 -3.264 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.740 -4.046 -6.156 1.00 0.00 H new ATOM 1080 N ASN A 69 82.362 -2.894 -4.827 1.00 0.00 N ATOM 1081 CA ASN A 69 81.245 -3.875 -4.783 1.00 0.00 C ATOM 1082 C ASN A 69 80.026 -3.302 -5.507 1.00 0.00 C ATOM 1083 O ASN A 69 79.425 -3.948 -6.344 1.00 0.00 O ATOM 1084 CB ASN A 69 80.951 -4.069 -3.297 1.00 0.00 C ATOM 1085 CG ASN A 69 81.598 -5.369 -2.820 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.980 -6.153 -2.127 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.828 -5.632 -3.166 1.00 0.00 N ATOM 0 H ASN A 69 82.559 -2.420 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 69 81.493 -4.817 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.338 -3.226 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.875 -4.102 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.272 -6.496 -2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.346 -4.973 -3.748 1.00 0.00 H new ATOM 1094 N LEU A 70 79.661 -2.087 -5.198 1.00 0.00 N ATOM 1095 CA LEU A 70 78.486 -1.467 -5.874 1.00 0.00 C ATOM 1096 C LEU A 70 78.663 -1.539 -7.391 1.00 0.00 C ATOM 1097 O LEU A 70 77.714 -1.700 -8.132 1.00 0.00 O ATOM 1098 CB LEU A 70 78.474 -0.014 -5.399 1.00 0.00 C ATOM 1099 CG LEU A 70 77.529 0.805 -6.281 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.517 1.541 -5.400 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.339 1.824 -7.085 1.00 0.00 C ATOM 0 H LEU A 70 80.125 -1.498 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 70 77.552 -1.975 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.153 0.037 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.481 0.402 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 70 77.000 0.139 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.844 2.124 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 75.940 0.816 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.045 2.207 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.667 2.408 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.867 2.489 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.061 1.301 -7.713 1.00 0.00 H new ATOM 1113 N GLU A 71 79.874 -1.426 -7.857 1.00 0.00 N ATOM 1114 CA GLU A 71 80.117 -1.492 -9.324 1.00 0.00 C ATOM 1115 C GLU A 71 80.410 -2.938 -9.740 1.00 0.00 C ATOM 1116 O GLU A 71 79.895 -3.428 -10.725 1.00 0.00 O ATOM 1117 CB GLU A 71 81.336 -0.595 -9.556 1.00 0.00 C ATOM 1118 CG GLU A 71 82.011 -0.968 -10.877 1.00 0.00 C ATOM 1119 CD GLU A 71 82.260 0.297 -11.700 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.534 1.257 -11.508 1.00 0.00 O ATOM 1121 OE2 GLU A 71 83.174 0.283 -12.509 1.00 0.00 O ATOM 0 H GLU A 71 80.707 -1.291 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 71 79.258 -1.166 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.030 0.451 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.042 -0.705 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.954 -1.480 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.381 -1.660 -11.436 1.00 0.00 H new ATOM 1128 N GLU A 72 81.240 -3.622 -9.000 1.00 0.00 N ATOM 1129 CA GLU A 72 81.574 -5.027 -9.353 1.00 0.00 C ATOM 1130 C GLU A 72 80.322 -5.910 -9.321 1.00 0.00 C ATOM 1131 O GLU A 72 80.293 -6.974 -9.907 1.00 0.00 O ATOM 1132 CB GLU A 72 82.573 -5.479 -8.288 1.00 0.00 C ATOM 1133 CG GLU A 72 83.055 -6.895 -8.609 1.00 0.00 C ATOM 1134 CD GLU A 72 84.296 -7.215 -7.772 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.143 -7.451 -6.586 1.00 0.00 O ATOM 1136 OE2 GLU A 72 85.380 -7.217 -8.333 1.00 0.00 O ATOM 0 H GLU A 72 81.702 -3.265 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 72 81.983 -5.104 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.420 -4.794 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.106 -5.457 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.265 -7.616 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.288 -6.979 -9.671 1.00 0.00 H new ATOM 1143 N LYS A 73 79.289 -5.487 -8.643 1.00 0.00 N ATOM 1144 CA LYS A 73 78.055 -6.319 -8.586 1.00 0.00 C ATOM 1145 C LYS A 73 76.912 -5.616 -9.313 1.00 0.00 C ATOM 1146 O LYS A 73 76.440 -6.074 -10.335 1.00 0.00 O ATOM 1147 CB LYS A 73 77.739 -6.459 -7.096 1.00 0.00 C ATOM 1148 CG LYS A 73 78.281 -7.794 -6.581 1.00 0.00 C ATOM 1149 CD LYS A 73 79.810 -7.749 -6.555 1.00 0.00 C ATOM 1150 CE LYS A 73 80.369 -9.101 -7.005 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.488 -9.386 -6.065 1.00 0.00 N ATOM 0 H LYS A 73 79.247 -4.607 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 73 78.188 -7.288 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.185 -5.635 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.662 -6.406 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.896 -7.994 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.942 -8.608 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.172 -6.957 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.160 -7.515 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.607 -9.879 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.720 -9.060 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.857 -10.342 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 82.247 -8.690 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.143 -9.326 -5.086 1.00 0.00 H new ATOM 1165 N GLN A 74 76.472 -4.504 -8.790 1.00 0.00 N ATOM 1166 CA GLN A 74 75.355 -3.746 -9.435 1.00 0.00 C ATOM 1167 C GLN A 74 74.330 -4.709 -10.042 1.00 0.00 C ATOM 1168 O GLN A 74 74.473 -5.152 -11.164 1.00 0.00 O ATOM 1169 CB GLN A 74 76.023 -2.915 -10.531 1.00 0.00 C ATOM 1170 CG GLN A 74 75.082 -1.790 -10.966 1.00 0.00 C ATOM 1171 CD GLN A 74 74.636 -0.995 -9.737 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.617 -1.291 -9.144 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.359 0.011 -9.329 1.00 0.00 N ATOM 0 H GLN A 74 76.840 -4.083 -7.937 1.00 0.00 H new ATOM 0 HA GLN A 74 74.815 -3.125 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.961 -2.497 -10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.268 -3.548 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.587 -1.133 -11.674 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.214 -2.205 -11.479 1.00 0.00 H new ATOM 0 HE21 GLN A 74 76.214 0.259 -9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.069 0.549 -8.512 1.00 0.00 H new ATOM 1182 N GLY A 75 73.297 -5.042 -9.314 1.00 0.00 N ATOM 1183 CA GLY A 75 72.279 -5.979 -9.862 1.00 0.00 C ATOM 1184 C GLY A 75 72.558 -7.389 -9.339 1.00 0.00 C ATOM 1185 O GLY A 75 71.770 -7.957 -8.611 1.00 0.00 O ATOM 0 H GLY A 75 73.116 -4.706 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.279 -5.661 -9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.309 -5.970 -10.952 1.00 0.00 H new ATOM 1189 N ALA A 76 73.675 -7.958 -9.697 1.00 0.00 N ATOM 1190 CA ALA A 76 74.001 -9.332 -9.212 1.00 0.00 C ATOM 1191 C ALA A 76 72.830 -10.285 -9.490 1.00 0.00 C ATOM 1192 O ALA A 76 71.817 -10.257 -8.821 1.00 0.00 O ATOM 1193 CB ALA A 76 74.224 -9.167 -7.709 1.00 0.00 C ATOM 0 H ALA A 76 74.377 -7.533 -10.303 1.00 0.00 H new ATOM 0 HA ALA A 76 74.872 -9.757 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.470 -10.134 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.045 -8.471 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.316 -8.779 -7.247 1.00 0.00 H new ATOM 1199 N GLU A 77 72.961 -11.125 -10.481 1.00 0.00 N ATOM 1200 CA GLU A 77 71.856 -12.075 -10.816 1.00 0.00 C ATOM 1201 C GLU A 77 71.606 -13.060 -9.668 1.00 0.00 C ATOM 1202 O GLU A 77 72.122 -14.160 -9.660 1.00 0.00 O ATOM 1203 CB GLU A 77 72.342 -12.817 -12.060 1.00 0.00 C ATOM 1204 CG GLU A 77 71.480 -12.422 -13.261 1.00 0.00 C ATOM 1205 CD GLU A 77 72.141 -12.912 -14.549 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.131 -14.111 -14.778 1.00 0.00 O ATOM 1207 OE2 GLU A 77 72.647 -12.082 -15.285 1.00 0.00 O ATOM 0 H GLU A 77 73.787 -11.196 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 77 70.913 -11.555 -10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.387 -12.576 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.288 -13.894 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.484 -12.854 -13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.356 -11.339 -13.293 1.00 0.00 H new ATOM 1214 N ILE A 78 70.797 -12.682 -8.713 1.00 0.00 N ATOM 1215 CA ILE A 78 70.485 -13.597 -7.573 1.00 0.00 C ATOM 1216 C ILE A 78 69.020 -13.416 -7.179 1.00 0.00 C ATOM 1217 O ILE A 78 68.316 -12.605 -7.748 1.00 0.00 O ATOM 1218 CB ILE A 78 71.396 -13.162 -6.418 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.856 -13.141 -6.876 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.258 -14.145 -5.256 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.339 -11.697 -6.961 1.00 0.00 C ATOM 0 H ILE A 78 70.336 -11.773 -8.673 1.00 0.00 H new ATOM 0 HA ILE A 78 70.646 -14.644 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 78 71.101 -12.163 -6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.476 -13.703 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.951 -13.626 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.906 -13.834 -4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.223 -14.161 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.546 -15.143 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.379 -11.680 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.725 -11.150 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.258 -11.228 -5.980 1.00 0.00 H new ATOM 1233 N ASP A 79 68.548 -14.154 -6.217 1.00 0.00 N ATOM 1234 CA ASP A 79 67.128 -14.000 -5.811 1.00 0.00 C ATOM 1235 C ASP A 79 66.240 -14.016 -7.055 1.00 0.00 C ATOM 1236 O ASP A 79 65.181 -13.420 -7.087 1.00 0.00 O ATOM 1237 CB ASP A 79 67.059 -12.638 -5.115 1.00 0.00 C ATOM 1238 CG ASP A 79 65.905 -12.635 -4.113 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.802 -12.975 -4.509 1.00 0.00 O ATOM 1240 OD2 ASP A 79 66.142 -12.291 -2.966 1.00 0.00 O ATOM 0 H ASP A 79 69.080 -14.852 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 79 66.786 -14.802 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.999 -12.431 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.917 -11.848 -5.852 1.00 0.00 H new ATOM 1245 N GLY A 80 66.672 -14.693 -8.084 1.00 0.00 N ATOM 1246 CA GLY A 80 65.871 -14.753 -9.330 1.00 0.00 C ATOM 1247 C GLY A 80 65.698 -13.342 -9.895 1.00 0.00 C ATOM 1248 O GLY A 80 64.685 -13.019 -10.482 1.00 0.00 O ATOM 0 H GLY A 80 67.552 -15.209 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.366 -15.391 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.896 -15.197 -9.127 1.00 0.00 H new ATOM 1252 N ARG A 81 66.681 -12.496 -9.725 1.00 0.00 N ATOM 1253 CA ARG A 81 66.566 -11.107 -10.255 1.00 0.00 C ATOM 1254 C ARG A 81 67.844 -10.321 -9.956 1.00 0.00 C ATOM 1255 O ARG A 81 68.812 -10.858 -9.453 1.00 0.00 O ATOM 1256 CB ARG A 81 65.378 -10.494 -9.514 1.00 0.00 C ATOM 1257 CG ARG A 81 65.673 -10.466 -8.012 1.00 0.00 C ATOM 1258 CD ARG A 81 64.529 -9.760 -7.279 1.00 0.00 C ATOM 1259 NE ARG A 81 63.324 -10.590 -7.560 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.134 -10.061 -7.474 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.905 -9.106 -6.615 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.173 -10.487 -8.249 1.00 0.00 N ATOM 0 H ARG A 81 67.555 -12.707 -9.244 1.00 0.00 H new ATOM 0 HA ARG A 81 66.425 -11.090 -11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.191 -9.484 -9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.476 -11.075 -9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.789 -11.482 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.613 -9.948 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.725 -9.697 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.399 -8.740 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 81 63.429 -11.571 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.656 -8.773 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.975 -8.693 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.353 -11.233 -8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.243 -10.074 -8.182 1.00 0.00 H new ATOM 1276 N SER A 82 67.856 -9.053 -10.260 1.00 0.00 N ATOM 1277 CA SER A 82 69.070 -8.234 -9.991 1.00 0.00 C ATOM 1278 C SER A 82 68.757 -7.144 -8.965 1.00 0.00 C ATOM 1279 O SER A 82 67.680 -6.584 -8.945 1.00 0.00 O ATOM 1280 CB SER A 82 69.434 -7.611 -11.335 1.00 0.00 C ATOM 1281 OG SER A 82 70.373 -8.444 -12.002 1.00 0.00 O ATOM 0 H SER A 82 67.077 -8.549 -10.683 1.00 0.00 H new ATOM 0 HA SER A 82 69.886 -8.830 -9.583 1.00 0.00 H new ATOM 0 HB2 SER A 82 68.540 -7.490 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.855 -6.617 -11.185 1.00 0.00 H new ATOM 0 HG SER A 82 70.607 -8.046 -12.867 1.00 0.00 H new ATOM 1287 N VAL A 83 69.695 -6.842 -8.113 1.00 0.00 N ATOM 1288 CA VAL A 83 69.464 -5.790 -7.085 1.00 0.00 C ATOM 1289 C VAL A 83 70.213 -4.510 -7.465 1.00 0.00 C ATOM 1290 O VAL A 83 71.386 -4.534 -7.780 1.00 0.00 O ATOM 1291 CB VAL A 83 70.015 -6.382 -5.789 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.439 -6.890 -6.019 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.027 -5.307 -4.700 1.00 0.00 C ATOM 0 H VAL A 83 70.616 -7.280 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 83 68.412 -5.520 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 83 69.382 -7.212 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.829 -7.312 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.431 -7.658 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.074 -6.063 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.420 -5.730 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.658 -4.476 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.012 -4.948 -4.532 1.00 0.00 H new ATOM 1303 N SER A 84 69.540 -3.393 -7.442 1.00 0.00 N ATOM 1304 CA SER A 84 70.209 -2.113 -7.807 1.00 0.00 C ATOM 1305 C SER A 84 70.985 -1.564 -6.609 1.00 0.00 C ATOM 1306 O SER A 84 70.614 -1.767 -5.471 1.00 0.00 O ATOM 1307 CB SER A 84 69.071 -1.168 -8.187 1.00 0.00 C ATOM 1308 OG SER A 84 68.821 -1.272 -9.583 1.00 0.00 O ATOM 0 H SER A 84 68.556 -3.311 -7.186 1.00 0.00 H new ATOM 0 HA SER A 84 70.925 -2.237 -8.620 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.171 -1.419 -7.625 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.333 -0.142 -7.928 1.00 0.00 H new ATOM 0 HG SER A 84 68.090 -0.668 -9.830 1.00 0.00 H new ATOM 1314 N LEU A 85 72.059 -0.871 -6.857 1.00 0.00 N ATOM 1315 CA LEU A 85 72.858 -0.310 -5.732 1.00 0.00 C ATOM 1316 C LEU A 85 72.799 1.217 -5.756 1.00 0.00 C ATOM 1317 O LEU A 85 73.263 1.853 -6.682 1.00 0.00 O ATOM 1318 CB LEU A 85 74.283 -0.800 -5.979 1.00 0.00 C ATOM 1319 CG LEU A 85 74.376 -2.284 -5.623 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.552 -2.915 -6.368 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.588 -2.431 -4.116 1.00 0.00 C ATOM 0 H LEU A 85 72.419 -0.668 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 85 72.484 -0.625 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.557 -0.647 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.987 -0.225 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 85 73.453 -2.787 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.618 -3.973 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.402 -2.808 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.476 -2.414 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.655 -3.488 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.511 -1.929 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.749 -1.981 -3.585 1.00 0.00 H new ATOM 1333 N TYR A 86 72.230 1.812 -4.745 1.00 0.00 N ATOM 1334 CA TYR A 86 72.141 3.296 -4.711 1.00 0.00 C ATOM 1335 C TYR A 86 73.094 3.851 -3.656 1.00 0.00 C ATOM 1336 O TYR A 86 72.786 3.880 -2.482 1.00 0.00 O ATOM 1337 CB TYR A 86 70.695 3.598 -4.324 1.00 0.00 C ATOM 1338 CG TYR A 86 69.748 3.041 -5.363 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.222 2.675 -6.630 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.391 2.893 -5.056 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.338 2.163 -7.586 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.507 2.380 -6.012 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.981 2.015 -7.278 1.00 0.00 C ATOM 1344 OH TYR A 86 67.110 1.509 -8.221 1.00 0.00 O ATOM 0 H TYR A 86 71.823 1.334 -3.941 1.00 0.00 H new ATOM 0 HA TYR A 86 72.413 3.748 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.474 3.163 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.553 4.675 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 86 71.269 2.788 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.025 3.175 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 86 69.703 1.882 -8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 86 66.460 2.266 -5.773 1.00 0.00 H new ATOM 0 HH TYR A 86 67.620 1.088 -8.945 1.00 0.00 H new ATOM 1354 N TYR A 87 74.249 4.290 -4.065 1.00 0.00 N ATOM 1355 CA TYR A 87 75.220 4.844 -3.094 1.00 0.00 C ATOM 1356 C TYR A 87 74.544 5.894 -2.212 1.00 0.00 C ATOM 1357 O TYR A 87 73.348 6.100 -2.271 1.00 0.00 O ATOM 1358 CB TYR A 87 76.296 5.489 -3.959 1.00 0.00 C ATOM 1359 CG TYR A 87 77.664 5.050 -3.494 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.936 3.688 -3.317 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.661 6.002 -3.251 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.206 3.279 -2.895 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.931 5.592 -2.828 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.204 4.229 -2.650 1.00 0.00 C ATOM 1365 OH TYR A 87 81.457 3.824 -2.237 1.00 0.00 O ATOM 0 H TYR A 87 74.561 4.287 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 87 75.625 4.084 -2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.151 5.210 -5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.215 6.575 -3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.167 2.954 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.451 7.052 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.416 2.229 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.700 6.326 -2.639 1.00 0.00 H new ATOM 0 HH TYR A 87 81.808 4.463 -1.581 1.00 0.00 H new ATOM 1375 N THR A 88 75.303 6.564 -1.401 1.00 0.00 N ATOM 1376 CA THR A 88 74.707 7.606 -0.515 1.00 0.00 C ATOM 1377 C THR A 88 75.767 8.622 -0.091 1.00 0.00 C ATOM 1378 O THR A 88 75.708 9.182 0.984 1.00 0.00 O ATOM 1379 CB THR A 88 74.175 6.845 0.702 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.274 5.446 0.472 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.713 7.222 0.940 1.00 0.00 C ATOM 0 H THR A 88 76.311 6.439 -1.309 1.00 0.00 H new ATOM 0 HA THR A 88 73.920 8.166 -1.020 1.00 0.00 H new ATOM 0 HB THR A 88 74.766 7.108 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.218 5.182 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.334 6.680 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.639 8.294 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.122 6.961 0.062 1.00 0.00 H new