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 -0:sc= -3.62! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0486 K(o=0.049,f=-0.6) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.141 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 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.435 (180deg=-2.19!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= -0.0939 (180deg=-1.02) USER MOD Single : A 62 SER OG : rot 180:sc= -1.75! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.97 K(o=-3,f=-4.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.649 K(o=-0.65,f=-7.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.123 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -84:sc= 0.128 USER MOD Single : A 88 THR OG1 : rot -47:sc= 0.745 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.756 8.652 4.793 1.00 0.00 N ATOM 229 CA ALA A 15 77.904 7.888 3.841 1.00 0.00 C ATOM 230 C ALA A 15 78.732 7.441 2.634 1.00 0.00 C ATOM 231 O ALA A 15 78.298 6.635 1.834 1.00 0.00 O ATOM 232 CB ALA A 15 76.813 8.869 3.411 1.00 0.00 C ATOM 0 HA ALA A 15 77.487 6.987 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.141 8.380 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.249 9.192 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.271 9.736 2.934 1.00 0.00 H new ATOM 238 N ALA A 16 79.923 7.959 2.497 1.00 0.00 N ATOM 239 CA ALA A 16 80.781 7.566 1.342 1.00 0.00 C ATOM 240 C ALA A 16 81.162 6.088 1.442 1.00 0.00 C ATOM 241 O ALA A 16 81.405 5.431 0.450 1.00 0.00 O ATOM 242 CB ALA A 16 82.022 8.452 1.454 1.00 0.00 C ATOM 0 H ALA A 16 80.339 8.637 3.135 1.00 0.00 H new ATOM 0 HA ALA A 16 80.273 7.695 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.707 8.224 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.727 9.500 1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.518 8.265 2.406 1.00 0.00 H new ATOM 248 N ARG A 17 81.213 5.559 2.632 1.00 0.00 N ATOM 249 CA ARG A 17 81.574 4.123 2.788 1.00 0.00 C ATOM 250 C ARG A 17 80.305 3.273 2.865 1.00 0.00 C ATOM 251 O ARG A 17 80.291 2.211 3.453 1.00 0.00 O ATOM 252 CB ARG A 17 82.350 4.048 4.104 1.00 0.00 C ATOM 253 CG ARG A 17 81.465 4.540 5.250 1.00 0.00 C ATOM 254 CD ARG A 17 82.151 5.709 5.959 1.00 0.00 C ATOM 255 NE ARG A 17 83.361 5.117 6.593 1.00 0.00 N ATOM 256 CZ ARG A 17 83.268 4.531 7.755 1.00 0.00 C ATOM 257 NH1 ARG A 17 83.006 5.236 8.822 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.439 3.241 7.852 1.00 0.00 N ATOM 0 H ARG A 17 81.021 6.057 3.501 1.00 0.00 H new ATOM 0 HA ARG A 17 82.162 3.749 1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.669 3.023 4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.252 4.656 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.494 4.853 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.282 3.730 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.419 6.496 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.495 6.159 6.704 1.00 0.00 H new ATOM 0 HE ARG A 17 84.263 5.170 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 17 82.874 6.245 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 17 82.933 4.778 9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 17 83.646 2.690 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.366 2.784 8.761 1.00 0.00 H new ATOM 272 N THR A 18 79.235 3.737 2.276 1.00 0.00 N ATOM 273 CA THR A 18 77.966 2.956 2.320 1.00 0.00 C ATOM 274 C THR A 18 77.088 3.288 1.108 1.00 0.00 C ATOM 275 O THR A 18 77.250 4.309 0.471 1.00 0.00 O ATOM 276 CB THR A 18 77.283 3.393 3.618 1.00 0.00 C ATOM 277 OG1 THR A 18 78.040 2.929 4.727 1.00 0.00 O ATOM 278 CG2 THR A 18 75.872 2.807 3.680 1.00 0.00 C ATOM 0 H THR A 18 79.185 4.620 1.768 1.00 0.00 H new ATOM 0 HA THR A 18 78.142 1.881 2.291 1.00 0.00 H new ATOM 0 HB THR A 18 77.221 4.481 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.822 2.434 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.388 3.120 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.292 3.164 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.928 1.719 3.650 1.00 0.00 H new ATOM 286 N LEU A 19 76.154 2.431 0.794 1.00 0.00 N ATOM 287 CA LEU A 19 75.255 2.690 -0.371 1.00 0.00 C ATOM 288 C LEU A 19 73.854 2.158 -0.062 1.00 0.00 C ATOM 289 O LEU A 19 73.574 1.717 1.035 1.00 0.00 O ATOM 290 CB LEU A 19 75.857 1.934 -1.568 1.00 0.00 C ATOM 291 CG LEU A 19 77.378 1.810 -1.428 1.00 0.00 C ATOM 292 CD1 LEU A 19 77.714 0.679 -0.454 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.986 1.491 -2.795 1.00 0.00 C ATOM 0 H LEU A 19 75.973 1.561 1.294 1.00 0.00 H new ATOM 0 HA LEU A 19 75.174 3.756 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.412 0.941 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.614 2.457 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 19 77.784 2.748 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.796 0.593 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 19 77.278 0.897 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.308 -0.259 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.068 1.402 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.576 0.552 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.748 2.292 -3.495 1.00 0.00 H new ATOM 305 N LEU A 20 72.973 2.202 -1.018 1.00 0.00 N ATOM 306 CA LEU A 20 71.585 1.704 -0.775 1.00 0.00 C ATOM 307 C LEU A 20 71.194 0.644 -1.812 1.00 0.00 C ATOM 308 O LEU A 20 70.947 0.950 -2.959 1.00 0.00 O ATOM 309 CB LEU A 20 70.692 2.939 -0.924 1.00 0.00 C ATOM 310 CG LEU A 20 69.224 2.519 -0.846 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.962 1.820 0.490 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.334 3.761 -0.953 1.00 0.00 C ATOM 0 H LEU A 20 73.149 2.560 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 20 71.490 1.235 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.917 3.661 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.890 3.432 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 20 68.998 1.835 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.915 1.521 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.596 0.937 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.187 2.503 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.287 3.464 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.561 4.443 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.520 4.261 -1.904 1.00 0.00 H new ATOM 324 N ALA A 21 71.112 -0.600 -1.419 1.00 0.00 N ATOM 325 CA ALA A 21 70.712 -1.654 -2.392 1.00 0.00 C ATOM 326 C ALA A 21 69.191 -1.646 -2.544 1.00 0.00 C ATOM 327 O ALA A 21 68.466 -1.611 -1.570 1.00 0.00 O ATOM 328 CB ALA A 21 71.189 -2.972 -1.780 1.00 0.00 C ATOM 0 H ALA A 21 71.304 -0.929 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 21 71.142 -1.500 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.928 -3.797 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.270 -2.941 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.709 -3.119 -0.813 1.00 0.00 H new ATOM 334 N LYS A 22 68.696 -1.667 -3.748 1.00 0.00 N ATOM 335 CA LYS A 22 67.218 -1.646 -3.932 1.00 0.00 C ATOM 336 C LYS A 22 66.797 -2.632 -5.019 1.00 0.00 C ATOM 337 O LYS A 22 67.610 -3.339 -5.583 1.00 0.00 O ATOM 338 CB LYS A 22 66.892 -0.213 -4.353 1.00 0.00 C ATOM 339 CG LYS A 22 65.489 0.157 -3.869 1.00 0.00 C ATOM 340 CD LYS A 22 64.717 0.831 -5.005 1.00 0.00 C ATOM 341 CE LYS A 22 64.494 2.306 -4.667 1.00 0.00 C ATOM 342 NZ LYS A 22 63.713 2.849 -5.813 1.00 0.00 N ATOM 0 H LYS A 22 69.245 -1.698 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 22 66.689 -1.938 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.626 0.476 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.950 -0.120 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.961 -0.736 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.554 0.827 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.272 0.741 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.759 0.332 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.949 2.418 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.442 2.832 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.520 3.859 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.259 2.734 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.813 2.334 -5.895 1.00 0.00 H new ATOM 356 N ASN A 23 65.530 -2.683 -5.315 1.00 0.00 N ATOM 357 CA ASN A 23 65.041 -3.621 -6.366 1.00 0.00 C ATOM 358 C ASN A 23 65.181 -5.068 -5.889 1.00 0.00 C ATOM 359 O ASN A 23 65.011 -6.001 -6.647 1.00 0.00 O ATOM 360 CB ASN A 23 65.936 -3.366 -7.582 1.00 0.00 C ATOM 361 CG ASN A 23 65.217 -3.828 -8.849 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.056 -3.528 -9.047 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.863 -4.549 -9.724 1.00 0.00 N ATOM 0 H ASN A 23 64.808 -2.114 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 23 63.988 -3.463 -6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.177 -2.305 -7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.880 -3.900 -7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.394 -4.861 -10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.837 -4.801 -9.558 1.00 0.00 H new ATOM 370 N LEU A 24 65.482 -5.259 -4.635 1.00 0.00 N ATOM 371 CA LEU A 24 65.624 -6.647 -4.108 1.00 0.00 C ATOM 372 C LEU A 24 64.273 -7.361 -4.169 1.00 0.00 C ATOM 373 O LEU A 24 63.386 -6.969 -4.903 1.00 0.00 O ATOM 374 CB LEU A 24 66.070 -6.483 -2.654 1.00 0.00 C ATOM 375 CG LEU A 24 67.512 -5.980 -2.606 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.725 -5.159 -1.334 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.465 -7.178 -2.603 1.00 0.00 C ATOM 0 H LEU A 24 65.636 -4.517 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 24 66.335 -7.238 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.413 -5.781 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.990 -7.436 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 24 67.710 -5.356 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.754 -4.801 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.044 -4.308 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.529 -5.782 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.495 -6.823 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.266 -7.799 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.313 -7.766 -3.508 1.00 0.00 H new ATOM 389 N SER A 25 64.107 -8.398 -3.401 1.00 0.00 N ATOM 390 CA SER A 25 62.811 -9.129 -3.412 1.00 0.00 C ATOM 391 C SER A 25 62.507 -9.670 -2.014 1.00 0.00 C ATOM 392 O SER A 25 63.351 -9.666 -1.140 1.00 0.00 O ATOM 393 CB SER A 25 63.006 -10.275 -4.401 1.00 0.00 C ATOM 394 OG SER A 25 61.736 -10.781 -4.790 1.00 0.00 O ATOM 0 H SER A 25 64.812 -8.772 -2.766 1.00 0.00 H new ATOM 0 HA SER A 25 61.976 -8.489 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.555 -9.926 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.602 -11.066 -3.946 1.00 0.00 H new ATOM 0 HG SER A 25 61.858 -11.516 -5.427 1.00 0.00 H new ATOM 400 N PHE A 26 61.311 -10.136 -1.796 1.00 0.00 N ATOM 401 CA PHE A 26 60.953 -10.675 -0.462 1.00 0.00 C ATOM 402 C PHE A 26 61.718 -11.974 -0.198 1.00 0.00 C ATOM 403 O PHE A 26 61.676 -12.526 0.883 1.00 0.00 O ATOM 404 CB PHE A 26 59.456 -10.937 -0.559 1.00 0.00 C ATOM 405 CG PHE A 26 58.700 -9.726 -0.067 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.608 -8.586 -0.876 1.00 0.00 C ATOM 407 CD2 PHE A 26 58.094 -9.740 1.195 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.910 -7.461 -0.423 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.396 -8.614 1.648 1.00 0.00 C ATOM 410 CZ PHE A 26 57.304 -7.474 0.839 1.00 0.00 C ATOM 0 H PHE A 26 60.564 -10.166 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 26 61.202 -9.997 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.181 -11.157 -1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.190 -11.811 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.076 -8.575 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 26 58.165 -10.619 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.839 -6.582 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.928 -8.624 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.766 -6.605 1.189 1.00 0.00 H new ATOM 420 N ASN A 27 62.417 -12.466 -1.185 1.00 0.00 N ATOM 421 CA ASN A 27 63.185 -13.724 -1.003 1.00 0.00 C ATOM 422 C ASN A 27 64.616 -13.411 -0.563 1.00 0.00 C ATOM 423 O ASN A 27 65.168 -14.068 0.297 1.00 0.00 O ATOM 424 CB ASN A 27 63.179 -14.393 -2.378 1.00 0.00 C ATOM 425 CG ASN A 27 62.724 -15.847 -2.237 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.335 -16.619 -1.524 1.00 0.00 O ATOM 427 ND2 ASN A 27 61.671 -16.255 -2.890 1.00 0.00 N ATOM 0 H ASN A 27 62.487 -12.047 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 27 62.752 -14.366 -0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.512 -13.856 -3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 27 64.176 -14.354 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.360 -17.222 -2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.159 -15.607 -3.488 1.00 0.00 H new ATOM 434 N ILE A 28 65.226 -12.414 -1.146 1.00 0.00 N ATOM 435 CA ILE A 28 66.622 -12.072 -0.753 1.00 0.00 C ATOM 436 C ILE A 28 66.635 -11.405 0.623 1.00 0.00 C ATOM 437 O ILE A 28 65.626 -10.928 1.102 1.00 0.00 O ATOM 438 CB ILE A 28 67.127 -11.111 -1.832 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.654 -11.050 -1.780 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.555 -9.712 -1.600 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.197 -10.705 -3.167 1.00 0.00 C ATOM 0 H ILE A 28 64.820 -11.825 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 28 67.256 -12.956 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 28 66.804 -11.470 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.974 -10.301 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 28 69.056 -12.007 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.921 -9.037 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.466 -9.753 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.869 -9.348 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.286 -10.661 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.888 -11.470 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.805 -9.737 -3.481 1.00 0.00 H new ATOM 453 N THR A 29 67.771 -11.372 1.263 1.00 0.00 N ATOM 454 CA THR A 29 67.846 -10.742 2.614 1.00 0.00 C ATOM 455 C THR A 29 69.281 -10.316 2.937 1.00 0.00 C ATOM 456 O THR A 29 70.175 -10.407 2.114 1.00 0.00 O ATOM 457 CB THR A 29 67.397 -11.837 3.583 1.00 0.00 C ATOM 458 OG1 THR A 29 68.260 -12.959 3.452 1.00 0.00 O ATOM 459 CG2 THR A 29 65.961 -12.254 3.265 1.00 0.00 C ATOM 0 H THR A 29 68.649 -11.753 0.911 1.00 0.00 H new ATOM 0 HA THR A 29 67.228 -9.846 2.677 1.00 0.00 H new ATOM 0 HB THR A 29 67.439 -11.458 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.977 -13.663 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.647 -13.034 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.301 -11.392 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.910 -12.633 2.244 1.00 0.00 H new ATOM 467 N GLU A 30 69.508 -9.860 4.140 1.00 0.00 N ATOM 468 CA GLU A 30 70.882 -9.438 4.529 1.00 0.00 C ATOM 469 C GLU A 30 71.868 -10.561 4.216 1.00 0.00 C ATOM 470 O GLU A 30 73.006 -10.324 3.866 1.00 0.00 O ATOM 471 CB GLU A 30 70.811 -9.184 6.036 1.00 0.00 C ATOM 472 CG GLU A 30 71.313 -7.771 6.340 1.00 0.00 C ATOM 473 CD GLU A 30 71.514 -7.616 7.848 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.494 -8.138 8.352 1.00 0.00 O ATOM 475 OE2 GLU A 30 70.685 -6.976 8.474 1.00 0.00 O ATOM 0 H GLU A 30 68.801 -9.762 4.869 1.00 0.00 H new ATOM 0 HA GLU A 30 71.218 -8.552 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.786 -9.300 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.416 -9.918 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.251 -7.586 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.596 -7.033 5.980 1.00 0.00 H new ATOM 482 N ASP A 31 71.435 -11.786 4.330 1.00 0.00 N ATOM 483 CA ASP A 31 72.344 -12.925 4.025 1.00 0.00 C ATOM 484 C ASP A 31 72.871 -12.782 2.600 1.00 0.00 C ATOM 485 O ASP A 31 74.063 -12.743 2.365 1.00 0.00 O ATOM 486 CB ASP A 31 71.474 -14.176 4.156 1.00 0.00 C ATOM 487 CG ASP A 31 71.788 -14.881 5.478 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.744 -14.484 6.125 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.069 -15.804 5.820 1.00 0.00 O ATOM 0 H ASP A 31 70.493 -12.047 4.621 1.00 0.00 H new ATOM 0 HA ASP A 31 73.206 -12.967 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.419 -13.904 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.659 -14.850 3.319 1.00 0.00 H new ATOM 494 N GLU A 32 71.987 -12.687 1.649 1.00 0.00 N ATOM 495 CA GLU A 32 72.431 -12.527 0.237 1.00 0.00 C ATOM 496 C GLU A 32 73.177 -11.204 0.087 1.00 0.00 C ATOM 497 O GLU A 32 74.138 -11.093 -0.654 1.00 0.00 O ATOM 498 CB GLU A 32 71.143 -12.519 -0.589 1.00 0.00 C ATOM 499 CG GLU A 32 70.650 -13.955 -0.781 1.00 0.00 C ATOM 500 CD GLU A 32 69.719 -14.334 0.372 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.179 -14.340 1.501 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.561 -14.611 0.104 1.00 0.00 O ATOM 0 H GLU A 32 70.977 -12.713 1.787 1.00 0.00 H new ATOM 0 HA GLU A 32 73.106 -13.320 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.380 -11.925 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.323 -12.052 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.125 -14.046 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.497 -14.640 -0.818 1.00 0.00 H new ATOM 509 N LEU A 33 72.759 -10.203 0.810 1.00 0.00 N ATOM 510 CA LEU A 33 73.454 -8.895 0.736 1.00 0.00 C ATOM 511 C LEU A 33 74.820 -9.046 1.386 1.00 0.00 C ATOM 512 O LEU A 33 75.802 -8.480 0.948 1.00 0.00 O ATOM 513 CB LEU A 33 72.578 -7.925 1.529 1.00 0.00 C ATOM 514 CG LEU A 33 71.249 -7.721 0.802 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.172 -7.316 1.809 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.406 -6.617 -0.247 1.00 0.00 C ATOM 0 H LEU A 33 71.965 -10.238 1.449 1.00 0.00 H new ATOM 0 HA LEU A 33 73.601 -8.540 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.400 -8.316 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.090 -6.970 1.646 1.00 0.00 H new ATOM 0 HG LEU A 33 70.957 -8.650 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.225 -7.171 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.059 -8.101 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.463 -6.387 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.459 -6.471 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.698 -5.688 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.173 -6.905 -0.966 1.00 0.00 H new ATOM 528 N LYS A 34 74.888 -9.833 2.423 1.00 0.00 N ATOM 529 CA LYS A 34 76.188 -10.049 3.097 1.00 0.00 C ATOM 530 C LYS A 34 77.036 -10.988 2.248 1.00 0.00 C ATOM 531 O LYS A 34 78.249 -10.996 2.319 1.00 0.00 O ATOM 532 CB LYS A 34 75.848 -10.685 4.446 1.00 0.00 C ATOM 533 CG LYS A 34 76.945 -10.351 5.459 1.00 0.00 C ATOM 534 CD LYS A 34 78.224 -11.106 5.093 1.00 0.00 C ATOM 535 CE LYS A 34 78.878 -11.651 6.365 1.00 0.00 C ATOM 536 NZ LYS A 34 80.311 -11.842 6.010 1.00 0.00 N ATOM 0 H LYS A 34 74.098 -10.334 2.829 1.00 0.00 H new ATOM 0 HA LYS A 34 76.754 -9.127 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.886 -10.317 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.755 -11.766 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.133 -9.277 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.623 -10.625 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.993 -11.924 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.914 -10.442 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.767 -10.954 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.419 -12.590 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.826 -12.214 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.386 -12.515 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.723 -10.930 5.727 1.00 0.00 H new ATOM 550 N GLU A 35 76.391 -11.769 1.433 1.00 0.00 N ATOM 551 CA GLU A 35 77.127 -12.708 0.549 1.00 0.00 C ATOM 552 C GLU A 35 77.655 -11.952 -0.670 1.00 0.00 C ATOM 553 O GLU A 35 78.720 -12.236 -1.179 1.00 0.00 O ATOM 554 CB GLU A 35 76.094 -13.755 0.130 1.00 0.00 C ATOM 555 CG GLU A 35 76.790 -15.100 -0.092 1.00 0.00 C ATOM 556 CD GLU A 35 75.960 -16.216 0.544 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.722 -16.144 1.738 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.574 -17.124 -0.175 1.00 0.00 O ATOM 0 H GLU A 35 75.376 -11.797 1.341 1.00 0.00 H new ATOM 0 HA GLU A 35 77.983 -13.167 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.328 -13.853 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.591 -13.439 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.912 -15.286 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.789 -15.081 0.345 1.00 0.00 H new ATOM 565 N VAL A 36 76.918 -10.978 -1.131 1.00 0.00 N ATOM 566 CA VAL A 36 77.378 -10.188 -2.307 1.00 0.00 C ATOM 567 C VAL A 36 78.280 -9.052 -1.828 1.00 0.00 C ATOM 568 O VAL A 36 79.278 -8.732 -2.442 1.00 0.00 O ATOM 569 CB VAL A 36 76.098 -9.635 -2.941 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.433 -8.429 -3.824 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.445 -10.722 -3.798 1.00 0.00 C ATOM 0 H VAL A 36 76.018 -10.696 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 36 77.951 -10.782 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 36 75.413 -9.325 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.518 -8.041 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.898 -7.652 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 36 77.121 -8.735 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.534 -10.330 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 36 76.136 -11.031 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 36 75.200 -11.580 -3.172 1.00 0.00 H new ATOM 581 N PHE A 37 77.930 -8.437 -0.733 1.00 0.00 N ATOM 582 CA PHE A 37 78.751 -7.323 -0.207 1.00 0.00 C ATOM 583 C PHE A 37 79.675 -7.824 0.907 1.00 0.00 C ATOM 584 O PHE A 37 79.920 -7.137 1.879 1.00 0.00 O ATOM 585 CB PHE A 37 77.726 -6.338 0.345 1.00 0.00 C ATOM 586 CG PHE A 37 76.848 -5.835 -0.777 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.389 -5.617 -2.051 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.491 -5.587 -0.544 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.572 -5.151 -3.089 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.674 -5.121 -1.580 1.00 0.00 C ATOM 591 CZ PHE A 37 75.215 -4.903 -2.853 1.00 0.00 C ATOM 0 H PHE A 37 77.104 -8.663 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 37 79.394 -6.875 -0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.116 -6.822 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.233 -5.502 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.436 -5.808 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.073 -5.756 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.989 -4.983 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.627 -4.930 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.585 -4.543 -3.653 1.00 0.00 H new ATOM 601 N GLU A 38 80.186 -9.018 0.777 1.00 0.00 N ATOM 602 CA GLU A 38 81.091 -9.561 1.831 1.00 0.00 C ATOM 603 C GLU A 38 82.310 -8.651 2.008 1.00 0.00 C ATOM 604 O GLU A 38 83.038 -8.756 2.975 1.00 0.00 O ATOM 605 CB GLU A 38 81.518 -10.936 1.316 1.00 0.00 C ATOM 606 CG GLU A 38 81.142 -12.005 2.343 1.00 0.00 C ATOM 607 CD GLU A 38 80.947 -13.347 1.637 1.00 0.00 C ATOM 608 OE1 GLU A 38 80.062 -13.431 0.800 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.685 -14.269 1.944 1.00 0.00 O ATOM 0 H GLU A 38 80.016 -9.641 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 38 80.601 -9.623 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.033 -11.146 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.593 -10.951 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.924 -12.090 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.227 -11.719 2.862 1.00 0.00 H new ATOM 616 N ASP A 39 82.536 -7.757 1.085 1.00 0.00 N ATOM 617 CA ASP A 39 83.706 -6.840 1.205 1.00 0.00 C ATOM 618 C ASP A 39 83.300 -5.569 1.949 1.00 0.00 C ATOM 619 O ASP A 39 84.009 -4.582 1.948 1.00 0.00 O ATOM 620 CB ASP A 39 84.108 -6.517 -0.234 1.00 0.00 C ATOM 621 CG ASP A 39 85.629 -6.586 -0.368 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.236 -7.338 0.377 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.163 -5.887 -1.213 1.00 0.00 O ATOM 0 H ASP A 39 81.962 -7.621 0.253 1.00 0.00 H new ATOM 0 HA ASP A 39 84.528 -7.287 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.640 -7.223 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.753 -5.523 -0.507 1.00 0.00 H new ATOM 628 N ALA A 40 82.162 -5.584 2.586 1.00 0.00 N ATOM 629 CA ALA A 40 81.712 -4.375 3.329 1.00 0.00 C ATOM 630 C ALA A 40 81.693 -4.654 4.835 1.00 0.00 C ATOM 631 O ALA A 40 82.005 -5.742 5.278 1.00 0.00 O ATOM 632 CB ALA A 40 80.299 -4.097 2.815 1.00 0.00 C ATOM 0 H ALA A 40 81.525 -6.380 2.624 1.00 0.00 H new ATOM 0 HA ALA A 40 82.376 -3.525 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.896 -3.217 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.331 -3.919 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.661 -4.956 3.022 1.00 0.00 H new ATOM 638 N LEU A 41 81.324 -3.682 5.625 1.00 0.00 N ATOM 639 CA LEU A 41 81.281 -3.893 7.095 1.00 0.00 C ATOM 640 C LEU A 41 79.978 -4.586 7.479 1.00 0.00 C ATOM 641 O LEU A 41 79.970 -5.603 8.144 1.00 0.00 O ATOM 642 CB LEU A 41 81.319 -2.494 7.713 1.00 0.00 C ATOM 643 CG LEU A 41 82.428 -1.664 7.074 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.157 -0.181 7.332 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.772 -2.052 7.690 1.00 0.00 C ATOM 0 H LEU A 41 81.051 -2.750 5.312 1.00 0.00 H new ATOM 0 HA LEU A 41 82.108 -4.514 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.358 -2.000 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.484 -2.568 8.788 1.00 0.00 H new ATOM 0 HG LEU A 41 82.455 -1.850 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.947 0.418 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.196 0.094 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.135 0.003 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.566 -1.460 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.749 -1.863 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.962 -3.111 7.512 1.00 0.00 H new ATOM 657 N GLU A 42 78.876 -4.030 7.065 1.00 0.00 N ATOM 658 CA GLU A 42 77.560 -4.635 7.403 1.00 0.00 C ATOM 659 C GLU A 42 76.498 -4.175 6.409 1.00 0.00 C ATOM 660 O GLU A 42 76.722 -3.293 5.602 1.00 0.00 O ATOM 661 CB GLU A 42 77.237 -4.121 8.807 1.00 0.00 C ATOM 662 CG GLU A 42 78.227 -4.717 9.810 1.00 0.00 C ATOM 663 CD GLU A 42 77.657 -4.594 11.224 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.913 -5.475 11.621 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.976 -3.621 11.888 1.00 0.00 O ATOM 0 H GLU A 42 78.830 -3.179 6.505 1.00 0.00 H new ATOM 0 HA GLU A 42 77.583 -5.724 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.292 -3.033 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.218 -4.394 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.416 -5.764 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.183 -4.198 9.746 1.00 0.00 H new ATOM 672 N ILE A 43 75.343 -4.770 6.459 1.00 0.00 N ATOM 673 CA ILE A 43 74.265 -4.370 5.516 1.00 0.00 C ATOM 674 C ILE A 43 72.927 -4.255 6.237 1.00 0.00 C ATOM 675 O ILE A 43 72.587 -5.050 7.091 1.00 0.00 O ATOM 676 CB ILE A 43 74.204 -5.482 4.476 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.531 -5.543 3.718 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.064 -5.195 3.495 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.636 -6.876 2.977 1.00 0.00 C ATOM 0 H ILE A 43 75.098 -5.515 7.111 1.00 0.00 H new ATOM 0 HA ILE A 43 74.468 -3.397 5.069 1.00 0.00 H new ATOM 0 HB ILE A 43 74.026 -6.437 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.596 -4.716 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.364 -5.435 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.017 -5.989 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.120 -5.151 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.242 -4.241 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.582 -6.919 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.590 -7.696 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.811 -6.966 2.271 1.00 0.00 H new ATOM 691 N ARG A 44 72.166 -3.275 5.870 1.00 0.00 N ATOM 692 CA ARG A 44 70.829 -3.073 6.482 1.00 0.00 C ATOM 693 C ARG A 44 69.797 -3.090 5.364 1.00 0.00 C ATOM 694 O ARG A 44 70.145 -3.192 4.209 1.00 0.00 O ATOM 695 CB ARG A 44 70.904 -1.696 7.141 1.00 0.00 C ATOM 696 CG ARG A 44 72.206 -1.584 7.936 1.00 0.00 C ATOM 697 CD ARG A 44 72.157 -0.335 8.820 1.00 0.00 C ATOM 698 NE ARG A 44 71.962 -0.850 10.204 1.00 0.00 N ATOM 699 CZ ARG A 44 71.543 -0.050 11.145 1.00 0.00 C ATOM 700 NH1 ARG A 44 72.094 1.122 11.298 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.574 -0.423 11.934 1.00 0.00 N ATOM 0 H ARG A 44 72.416 -2.590 5.157 1.00 0.00 H new ATOM 0 HA ARG A 44 70.553 -3.838 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.860 -0.915 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 44 70.049 -1.549 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 44 72.347 -2.473 8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 44 73.056 -1.529 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 44 73.078 0.242 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 44 71.341 0.325 8.526 1.00 0.00 H new ATOM 0 HE ARG A 44 72.156 -1.829 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 44 72.853 1.413 10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 44 71.766 1.748 12.034 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.144 -1.340 11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 44 70.246 0.202 12.670 1.00 0.00 H new ATOM 715 N LEU A 45 68.540 -3.013 5.673 1.00 0.00 N ATOM 716 CA LEU A 45 67.532 -3.038 4.585 1.00 0.00 C ATOM 717 C LEU A 45 66.307 -2.209 4.933 1.00 0.00 C ATOM 718 O LEU A 45 65.998 -1.971 6.084 1.00 0.00 O ATOM 719 CB LEU A 45 67.162 -4.505 4.400 1.00 0.00 C ATOM 720 CG LEU A 45 67.238 -5.250 5.730 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.205 -4.665 6.692 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.944 -6.730 5.490 1.00 0.00 C ATOM 0 H LEU A 45 68.168 -2.935 6.620 1.00 0.00 H new ATOM 0 HA LEU A 45 67.934 -2.603 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.155 -4.583 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 45 67.836 -4.967 3.679 1.00 0.00 H new ATOM 0 HG LEU A 45 68.233 -5.144 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.254 -5.193 7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.415 -3.608 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.208 -4.776 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.996 -7.269 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.946 -6.838 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 45 67.680 -7.139 4.798 1.00 0.00 H new ATOM 734 N VAL A 46 65.611 -1.761 3.925 1.00 0.00 N ATOM 735 CA VAL A 46 64.398 -0.930 4.170 1.00 0.00 C ATOM 736 C VAL A 46 63.204 -1.456 3.371 1.00 0.00 C ATOM 737 O VAL A 46 63.349 -2.123 2.347 1.00 0.00 O ATOM 738 CB VAL A 46 64.752 0.494 3.719 1.00 0.00 C ATOM 739 CG1 VAL A 46 63.935 1.493 4.537 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.245 0.763 3.935 1.00 0.00 C ATOM 0 H VAL A 46 65.829 -1.934 2.944 1.00 0.00 H new ATOM 0 HA VAL A 46 64.115 -0.958 5.222 1.00 0.00 H new ATOM 0 HB VAL A 46 64.524 0.601 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.180 2.507 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 46 62.872 1.311 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.169 1.374 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.483 1.776 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.485 0.654 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 46 66.831 0.050 3.355 1.00 0.00 H new ATOM 750 N SER A 47 62.023 -1.148 3.848 1.00 0.00 N ATOM 751 CA SER A 47 60.777 -1.597 3.172 1.00 0.00 C ATOM 752 C SER A 47 59.818 -0.416 2.994 1.00 0.00 C ATOM 753 O SER A 47 60.234 0.705 2.773 1.00 0.00 O ATOM 754 CB SER A 47 60.183 -2.633 4.124 1.00 0.00 C ATOM 755 OG SER A 47 59.493 -1.965 5.173 1.00 0.00 O ATOM 0 H SER A 47 61.873 -0.595 4.692 1.00 0.00 H new ATOM 0 HA SER A 47 60.960 -2.005 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.501 -3.290 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.973 -3.261 4.535 1.00 0.00 H new ATOM 0 HG SER A 47 59.109 -2.627 5.785 1.00 0.00 H new ATOM 819 N SER A 52 58.184 -5.378 3.593 1.00 0.00 N ATOM 820 CA SER A 52 59.480 -5.459 2.857 1.00 0.00 C ATOM 821 C SER A 52 59.346 -4.853 1.463 1.00 0.00 C ATOM 822 O SER A 52 58.432 -5.159 0.722 1.00 0.00 O ATOM 823 CB SER A 52 59.795 -6.947 2.765 1.00 0.00 C ATOM 824 OG SER A 52 61.204 -7.133 2.822 1.00 0.00 O ATOM 0 HA SER A 52 60.270 -4.905 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.312 -7.484 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.400 -7.358 1.836 1.00 0.00 H new ATOM 0 HG SER A 52 61.410 -8.089 2.765 1.00 0.00 H new ATOM 830 N LYS A 53 60.256 -3.998 1.101 1.00 0.00 N ATOM 831 CA LYS A 53 60.194 -3.367 -0.246 1.00 0.00 C ATOM 832 C LYS A 53 61.389 -3.831 -1.067 1.00 0.00 C ATOM 833 O LYS A 53 61.377 -3.798 -2.282 1.00 0.00 O ATOM 834 CB LYS A 53 60.263 -1.860 0.009 1.00 0.00 C ATOM 835 CG LYS A 53 60.077 -1.110 -1.313 1.00 0.00 C ATOM 836 CD LYS A 53 58.759 -1.536 -1.964 1.00 0.00 C ATOM 837 CE LYS A 53 58.525 -0.717 -3.235 1.00 0.00 C ATOM 838 NZ LYS A 53 58.852 0.686 -2.858 1.00 0.00 N ATOM 0 H LYS A 53 61.043 -3.707 1.680 1.00 0.00 H new ATOM 0 HA LYS A 53 59.292 -3.632 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.490 -1.565 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.223 -1.599 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.076 -0.035 -1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.910 -1.321 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.788 -2.599 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 53 57.934 -1.389 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 59.160 -1.064 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 53 57.493 -0.803 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.381 1.341 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.523 0.871 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 59.881 0.828 -2.907 1.00 0.00 H new ATOM 852 N GLY A 54 62.417 -4.277 -0.407 1.00 0.00 N ATOM 853 CA GLY A 54 63.611 -4.760 -1.137 1.00 0.00 C ATOM 854 C GLY A 54 64.754 -3.750 -1.017 1.00 0.00 C ATOM 855 O GLY A 54 65.649 -3.725 -1.839 1.00 0.00 O ATOM 0 H GLY A 54 62.479 -4.327 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.925 -5.724 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.364 -4.917 -2.187 1.00 0.00 H new ATOM 859 N ILE A 55 64.757 -2.916 -0.006 1.00 0.00 N ATOM 860 CA ILE A 55 65.881 -1.942 0.111 1.00 0.00 C ATOM 861 C ILE A 55 66.960 -2.521 1.027 1.00 0.00 C ATOM 862 O ILE A 55 66.669 -3.235 1.967 1.00 0.00 O ATOM 863 CB ILE A 55 65.274 -0.673 0.710 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.867 -0.448 0.144 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.156 0.522 0.347 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.936 -0.378 -1.383 1.00 0.00 C ATOM 0 H ILE A 55 64.048 -2.868 0.726 1.00 0.00 H new ATOM 0 HA ILE A 55 66.350 -1.730 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 55 65.213 -0.780 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.206 -1.258 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.447 0.475 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.729 1.431 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 55 67.158 0.370 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.210 0.618 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.936 -0.218 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.583 0.447 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.338 -1.313 -1.772 1.00 0.00 H new ATOM 878 N ALA A 56 68.202 -2.240 0.753 1.00 0.00 N ATOM 879 CA ALA A 56 69.289 -2.798 1.602 1.00 0.00 C ATOM 880 C ALA A 56 70.431 -1.788 1.757 1.00 0.00 C ATOM 881 O ALA A 56 71.156 -1.510 0.824 1.00 0.00 O ATOM 882 CB ALA A 56 69.758 -4.032 0.845 1.00 0.00 C ATOM 0 H ALA A 56 68.511 -1.650 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 56 68.952 -3.031 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.564 -4.514 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.927 -4.729 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 56 70.119 -3.739 -0.141 1.00 0.00 H new ATOM 888 N TYR A 57 70.609 -1.246 2.933 1.00 0.00 N ATOM 889 CA TYR A 57 71.712 -0.271 3.145 1.00 0.00 C ATOM 890 C TYR A 57 73.035 -1.025 3.270 1.00 0.00 C ATOM 891 O TYR A 57 73.211 -1.847 4.148 1.00 0.00 O ATOM 892 CB TYR A 57 71.370 0.443 4.454 1.00 0.00 C ATOM 893 CG TYR A 57 71.217 1.922 4.197 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.307 2.668 3.729 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.987 2.549 4.424 1.00 0.00 C ATOM 896 CE1 TYR A 57 72.165 4.041 3.490 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.845 3.922 4.185 1.00 0.00 C ATOM 898 CZ TYR A 57 70.934 4.668 3.718 1.00 0.00 C ATOM 899 OH TYR A 57 70.795 6.020 3.481 1.00 0.00 O ATOM 0 H TYR A 57 70.036 -1.438 3.755 1.00 0.00 H new ATOM 0 HA TYR A 57 71.815 0.436 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.448 0.038 4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.155 0.271 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.256 2.184 3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.146 1.974 4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 57 73.005 4.616 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.895 4.405 4.361 1.00 0.00 H new ATOM 0 HH TYR A 57 69.878 6.296 3.689 1.00 0.00 H new ATOM 909 N ILE A 58 73.961 -0.765 2.393 1.00 0.00 N ATOM 910 CA ILE A 58 75.265 -1.484 2.457 1.00 0.00 C ATOM 911 C ILE A 58 76.363 -0.532 2.942 1.00 0.00 C ATOM 912 O ILE A 58 76.642 0.471 2.318 1.00 0.00 O ATOM 913 CB ILE A 58 75.558 -1.951 1.020 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.253 -2.167 0.243 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.324 -3.269 1.062 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.439 -3.272 0.915 1.00 0.00 C ATOM 0 H ILE A 58 73.874 -0.088 1.635 1.00 0.00 H new ATOM 0 HA ILE A 58 75.231 -2.325 3.150 1.00 0.00 H new ATOM 0 HB ILE A 58 76.148 -1.182 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.677 -1.242 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.472 -2.438 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.532 -3.601 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.263 -3.127 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.725 -4.022 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.511 -3.427 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.016 -4.197 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.208 -2.982 1.940 1.00 0.00 H new ATOM 928 N GLU A 59 76.995 -0.839 4.045 1.00 0.00 N ATOM 929 CA GLU A 59 78.076 0.055 4.551 1.00 0.00 C ATOM 930 C GLU A 59 79.421 -0.667 4.465 1.00 0.00 C ATOM 931 O GLU A 59 79.719 -1.540 5.256 1.00 0.00 O ATOM 932 CB GLU A 59 77.731 0.390 6.017 1.00 0.00 C ATOM 933 CG GLU A 59 76.688 -0.584 6.586 1.00 0.00 C ATOM 934 CD GLU A 59 76.222 -0.086 7.955 1.00 0.00 C ATOM 935 OE1 GLU A 59 75.805 1.058 8.037 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.287 -0.857 8.898 1.00 0.00 O ATOM 0 H GLU A 59 76.810 -1.665 4.614 1.00 0.00 H new ATOM 0 HA GLU A 59 78.149 0.967 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.636 0.351 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.350 1.409 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.839 -0.663 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.117 -1.582 6.676 1.00 0.00 H new ATOM 943 N PHE A 60 80.232 -0.317 3.503 1.00 0.00 N ATOM 944 CA PHE A 60 81.551 -0.996 3.362 1.00 0.00 C ATOM 945 C PHE A 60 82.601 -0.328 4.247 1.00 0.00 C ATOM 946 O PHE A 60 82.338 0.650 4.918 1.00 0.00 O ATOM 947 CB PHE A 60 81.930 -0.849 1.891 1.00 0.00 C ATOM 948 CG PHE A 60 81.017 -1.704 1.045 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.678 -1.335 0.864 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.511 -2.864 0.439 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.836 -2.128 0.077 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.667 -3.657 -0.347 1.00 0.00 C ATOM 953 CZ PHE A 60 79.330 -3.288 -0.528 1.00 0.00 C ATOM 0 H PHE A 60 80.039 0.407 2.811 1.00 0.00 H new ATOM 0 HA PHE A 60 81.497 -2.041 3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.852 0.195 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.967 -1.148 1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.296 -0.439 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.544 -3.148 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.804 -1.844 -0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 60 81.048 -4.553 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.679 -3.899 -1.135 1.00 0.00 H new ATOM 963 N LYS A 61 83.792 -0.855 4.246 1.00 0.00 N ATOM 964 CA LYS A 61 84.876 -0.266 5.084 1.00 0.00 C ATOM 965 C LYS A 61 85.349 1.059 4.483 1.00 0.00 C ATOM 966 O LYS A 61 85.917 1.893 5.159 1.00 0.00 O ATOM 967 CB LYS A 61 86.003 -1.299 5.057 1.00 0.00 C ATOM 968 CG LYS A 61 86.665 -1.371 6.433 1.00 0.00 C ATOM 969 CD LYS A 61 87.126 -2.805 6.703 1.00 0.00 C ATOM 970 CE LYS A 61 87.761 -2.885 8.094 1.00 0.00 C ATOM 971 NZ LYS A 61 88.980 -2.034 8.008 1.00 0.00 N ATOM 0 H LYS A 61 84.064 -1.672 3.699 1.00 0.00 H new ATOM 0 HA LYS A 61 84.542 -0.052 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.608 -2.276 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.740 -1.028 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.515 -0.690 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 61 85.963 -1.052 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 61 86.279 -3.489 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.845 -3.116 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 61 87.078 -2.521 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.014 -3.913 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 89.680 -2.359 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.385 -2.103 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 88.727 -1.045 8.206 1.00 0.00 H new ATOM 985 N SER A 62 85.119 1.256 3.215 1.00 0.00 N ATOM 986 CA SER A 62 85.555 2.525 2.569 1.00 0.00 C ATOM 987 C SER A 62 84.806 2.731 1.251 1.00 0.00 C ATOM 988 O SER A 62 84.292 1.799 0.664 1.00 0.00 O ATOM 989 CB SER A 62 87.050 2.344 2.313 1.00 0.00 C ATOM 990 OG SER A 62 87.605 1.526 3.334 1.00 0.00 O ATOM 0 H SER A 62 84.648 0.594 2.598 1.00 0.00 H new ATOM 0 HA SER A 62 85.350 3.397 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.211 1.887 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.548 3.313 2.297 1.00 0.00 H new ATOM 0 HG SER A 62 88.564 1.407 3.172 1.00 0.00 H new ATOM 996 N GLU A 63 84.740 3.946 0.781 1.00 0.00 N ATOM 997 CA GLU A 63 84.025 4.208 -0.500 1.00 0.00 C ATOM 998 C GLU A 63 84.540 3.267 -1.590 1.00 0.00 C ATOM 999 O GLU A 63 83.793 2.809 -2.430 1.00 0.00 O ATOM 1000 CB GLU A 63 84.350 5.660 -0.846 1.00 0.00 C ATOM 1001 CG GLU A 63 83.689 6.588 0.174 1.00 0.00 C ATOM 1002 CD GLU A 63 84.625 7.756 0.485 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.672 8.682 -0.308 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.282 7.705 1.513 1.00 0.00 O ATOM 0 H GLU A 63 85.149 4.767 1.227 1.00 0.00 H new ATOM 0 HA GLU A 63 82.951 4.042 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.429 5.812 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 63 83.995 5.894 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 63 82.743 6.961 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.461 6.038 1.087 1.00 0.00 H new ATOM 1011 N ALA A 64 85.812 2.970 -1.580 1.00 0.00 N ATOM 1012 CA ALA A 64 86.369 2.058 -2.613 1.00 0.00 C ATOM 1013 C ALA A 64 85.741 0.673 -2.471 1.00 0.00 C ATOM 1014 O ALA A 64 85.388 0.038 -3.445 1.00 0.00 O ATOM 1015 CB ALA A 64 87.871 2.002 -2.331 1.00 0.00 C ATOM 0 H ALA A 64 86.487 3.321 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 64 86.164 2.402 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.353 1.346 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.294 3.003 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.038 1.617 -1.325 1.00 0.00 H new ATOM 1021 N ASP A 65 85.585 0.206 -1.265 1.00 0.00 N ATOM 1022 CA ASP A 65 84.962 -1.130 -1.065 1.00 0.00 C ATOM 1023 C ASP A 65 83.496 -1.059 -1.485 1.00 0.00 C ATOM 1024 O ASP A 65 83.019 -1.859 -2.268 1.00 0.00 O ATOM 1025 CB ASP A 65 85.084 -1.410 0.433 1.00 0.00 C ATOM 1026 CG ASP A 65 86.557 -1.599 0.800 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.258 -0.605 0.883 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.958 -2.736 0.988 1.00 0.00 O ATOM 0 H ASP A 65 85.861 0.690 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 65 85.438 -1.915 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.659 -0.584 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.516 -2.303 0.694 1.00 0.00 H new ATOM 1033 N ALA A 66 82.783 -0.093 -0.977 1.00 0.00 N ATOM 1034 CA ALA A 66 81.349 0.052 -1.350 1.00 0.00 C ATOM 1035 C ALA A 66 81.228 0.394 -2.838 1.00 0.00 C ATOM 1036 O ALA A 66 80.319 -0.046 -3.513 1.00 0.00 O ATOM 1037 CB ALA A 66 80.831 1.204 -0.488 1.00 0.00 C ATOM 0 H ALA A 66 83.132 0.603 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 66 80.781 -0.864 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.776 1.375 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.949 0.952 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.398 2.108 -0.710 1.00 0.00 H new ATOM 1043 N GLU A 67 82.140 1.174 -3.357 1.00 0.00 N ATOM 1044 CA GLU A 67 82.075 1.537 -4.799 1.00 0.00 C ATOM 1045 C GLU A 67 82.522 0.352 -5.656 1.00 0.00 C ATOM 1046 O GLU A 67 81.907 0.026 -6.656 1.00 0.00 O ATOM 1047 CB GLU A 67 83.040 2.711 -4.960 1.00 0.00 C ATOM 1048 CG GLU A 67 82.445 3.955 -4.297 1.00 0.00 C ATOM 1049 CD GLU A 67 83.528 5.028 -4.158 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.678 4.716 -4.414 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.186 6.143 -3.799 1.00 0.00 O ATOM 0 H GLU A 67 82.925 1.574 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 67 81.065 1.799 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.002 2.470 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.224 2.902 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 67 81.615 4.336 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.043 3.700 -3.316 1.00 0.00 H new ATOM 1058 N LYS A 68 83.581 -0.306 -5.267 1.00 0.00 N ATOM 1059 CA LYS A 68 84.057 -1.475 -6.053 1.00 0.00 C ATOM 1060 C LYS A 68 82.960 -2.533 -6.080 1.00 0.00 C ATOM 1061 O LYS A 68 82.611 -3.057 -7.118 1.00 0.00 O ATOM 1062 CB LYS A 68 85.287 -1.987 -5.305 1.00 0.00 C ATOM 1063 CG LYS A 68 86.020 -3.012 -6.172 1.00 0.00 C ATOM 1064 CD LYS A 68 86.434 -2.362 -7.493 1.00 0.00 C ATOM 1065 CE LYS A 68 87.875 -2.753 -7.827 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.313 -1.766 -8.852 1.00 0.00 N ATOM 0 H LYS A 68 84.135 -0.083 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 68 84.299 -1.224 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.951 -1.157 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.989 -2.441 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.899 -3.385 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.375 -3.870 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.765 -2.681 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.348 -1.278 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.510 -2.712 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.929 -3.772 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.294 -1.969 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.694 -1.833 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.258 -0.806 -8.456 1.00 0.00 H new ATOM 1080 N ASN A 69 82.402 -2.835 -4.943 1.00 0.00 N ATOM 1081 CA ASN A 69 81.312 -3.845 -4.898 1.00 0.00 C ATOM 1082 C ASN A 69 80.087 -3.297 -5.631 1.00 0.00 C ATOM 1083 O ASN A 69 79.443 -3.989 -6.397 1.00 0.00 O ATOM 1084 CB ASN A 69 81.012 -4.037 -3.412 1.00 0.00 C ATOM 1085 CG ASN A 69 81.612 -5.363 -2.937 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.893 -6.275 -2.582 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.908 -5.505 -2.916 1.00 0.00 N ATOM 0 H ASN A 69 82.654 -2.426 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 69 81.585 -4.786 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.428 -3.210 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.935 -4.032 -3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.320 -6.383 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.510 -4.738 -3.215 1.00 0.00 H new ATOM 1094 N LEU A 70 79.772 -2.049 -5.409 1.00 0.00 N ATOM 1095 CA LEU A 70 78.600 -1.440 -6.096 1.00 0.00 C ATOM 1096 C LEU A 70 78.722 -1.646 -7.606 1.00 0.00 C ATOM 1097 O LEU A 70 77.773 -2.003 -8.275 1.00 0.00 O ATOM 1098 CB LEU A 70 78.668 0.050 -5.735 1.00 0.00 C ATOM 1099 CG LEU A 70 77.922 0.883 -6.782 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.535 0.285 -7.023 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.777 2.321 -6.279 1.00 0.00 C ATOM 0 H LEU A 70 80.278 -1.425 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 70 77.652 -1.884 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.230 0.213 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.708 0.371 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 70 78.484 0.878 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.007 0.880 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.638 -0.739 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 70 75.971 0.287 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.246 2.915 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.216 2.325 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.765 2.749 -6.111 1.00 0.00 H new ATOM 1113 N GLU A 71 79.885 -1.425 -8.144 1.00 0.00 N ATOM 1114 CA GLU A 71 80.076 -1.608 -9.610 1.00 0.00 C ATOM 1115 C GLU A 71 80.475 -3.055 -9.917 1.00 0.00 C ATOM 1116 O GLU A 71 79.956 -3.673 -10.824 1.00 0.00 O ATOM 1117 CB GLU A 71 81.206 -0.649 -9.986 1.00 0.00 C ATOM 1118 CG GLU A 71 80.730 0.295 -11.093 1.00 0.00 C ATOM 1119 CD GLU A 71 81.942 0.872 -11.827 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.983 0.237 -11.801 1.00 0.00 O ATOM 1121 OE2 GLU A 71 81.807 1.939 -12.402 1.00 0.00 O ATOM 0 H GLU A 71 80.715 -1.125 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 71 79.165 -1.405 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.515 -0.075 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.077 -1.211 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.089 -0.242 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 71 80.132 1.101 -10.667 1.00 0.00 H new ATOM 1128 N GLU A 72 81.400 -3.595 -9.171 1.00 0.00 N ATOM 1129 CA GLU A 72 81.839 -4.994 -9.421 1.00 0.00 C ATOM 1130 C GLU A 72 80.661 -5.967 -9.293 1.00 0.00 C ATOM 1131 O GLU A 72 80.706 -7.071 -9.797 1.00 0.00 O ATOM 1132 CB GLU A 72 82.887 -5.282 -8.347 1.00 0.00 C ATOM 1133 CG GLU A 72 83.580 -6.611 -8.653 1.00 0.00 C ATOM 1134 CD GLU A 72 85.055 -6.358 -8.972 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.560 -5.325 -8.561 1.00 0.00 O ATOM 1136 OE2 GLU A 72 85.653 -7.198 -9.622 1.00 0.00 O ATOM 0 H GLU A 72 81.871 -3.125 -8.398 1.00 0.00 H new ATOM 0 HA GLU A 72 82.237 -5.118 -10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.620 -4.476 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.415 -5.323 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.492 -7.284 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.094 -7.101 -9.497 1.00 0.00 H new ATOM 1143 N LYS A 73 79.611 -5.575 -8.623 1.00 0.00 N ATOM 1144 CA LYS A 73 78.449 -6.496 -8.474 1.00 0.00 C ATOM 1145 C LYS A 73 77.222 -5.914 -9.174 1.00 0.00 C ATOM 1146 O LYS A 73 76.752 -6.445 -10.159 1.00 0.00 O ATOM 1147 CB LYS A 73 78.212 -6.594 -6.966 1.00 0.00 C ATOM 1148 CG LYS A 73 79.474 -7.122 -6.283 1.00 0.00 C ATOM 1149 CD LYS A 73 79.301 -8.612 -5.975 1.00 0.00 C ATOM 1150 CE LYS A 73 80.171 -9.435 -6.929 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.253 -10.462 -7.494 1.00 0.00 N ATOM 0 H LYS A 73 79.508 -4.664 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 73 78.635 -7.473 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.951 -5.615 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.371 -7.257 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.340 -6.971 -6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.661 -6.569 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.582 -8.816 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.255 -8.897 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.596 -8.810 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.006 -9.898 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 79.776 -11.067 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.869 -11.046 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.472 -9.992 -7.995 1.00 0.00 H new ATOM 1165 N GLN A 74 76.711 -4.826 -8.667 1.00 0.00 N ATOM 1166 CA GLN A 74 75.508 -4.182 -9.284 1.00 0.00 C ATOM 1167 C GLN A 74 74.552 -5.243 -9.840 1.00 0.00 C ATOM 1168 O GLN A 74 74.705 -5.704 -10.954 1.00 0.00 O ATOM 1169 CB GLN A 74 76.059 -3.314 -10.415 1.00 0.00 C ATOM 1170 CG GLN A 74 74.944 -2.417 -10.958 1.00 0.00 C ATOM 1171 CD GLN A 74 74.487 -1.449 -9.864 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.612 -1.765 -9.082 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.046 -0.274 -9.777 1.00 0.00 N ATOM 0 H GLN A 74 77.077 -4.348 -7.843 1.00 0.00 H new ATOM 0 HA GLN A 74 74.941 -3.599 -8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.886 -2.704 -10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.454 -3.944 -11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.301 -1.860 -11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.104 -3.026 -11.293 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.780 -0.009 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.749 0.380 -9.053 1.00 0.00 H new ATOM 1182 N GLY A 75 73.566 -5.637 -9.080 1.00 0.00 N ATOM 1183 CA GLY A 75 72.616 -6.668 -9.580 1.00 0.00 C ATOM 1184 C GLY A 75 72.868 -7.988 -8.847 1.00 0.00 C ATOM 1185 O GLY A 75 71.995 -8.529 -8.198 1.00 0.00 O ATOM 0 H GLY A 75 73.379 -5.291 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.589 -6.340 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.743 -6.805 -10.654 1.00 0.00 H new ATOM 1189 N ALA A 76 74.062 -8.503 -8.946 1.00 0.00 N ATOM 1190 CA ALA A 76 74.392 -9.787 -8.259 1.00 0.00 C ATOM 1191 C ALA A 76 73.430 -10.893 -8.692 1.00 0.00 C ATOM 1192 O ALA A 76 73.333 -11.924 -8.057 1.00 0.00 O ATOM 1193 CB ALA A 76 74.242 -9.492 -6.767 1.00 0.00 C ATOM 0 H ALA A 76 74.829 -8.089 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 76 75.395 -10.135 -8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.469 -10.391 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.931 -8.697 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.219 -9.178 -6.559 1.00 0.00 H new ATOM 1199 N GLU A 77 72.737 -10.681 -9.778 1.00 0.00 N ATOM 1200 CA GLU A 77 71.773 -11.703 -10.300 1.00 0.00 C ATOM 1201 C GLU A 77 71.182 -12.547 -9.164 1.00 0.00 C ATOM 1202 O GLU A 77 71.634 -13.643 -8.896 1.00 0.00 O ATOM 1203 CB GLU A 77 72.603 -12.580 -11.237 1.00 0.00 C ATOM 1204 CG GLU A 77 71.675 -13.495 -12.038 1.00 0.00 C ATOM 1205 CD GLU A 77 72.221 -13.663 -13.456 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.381 -14.019 -13.585 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.471 -13.432 -14.390 1.00 0.00 O ATOM 0 H GLU A 77 72.797 -9.830 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 77 70.926 -11.236 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.188 -11.956 -11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.311 -13.177 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.596 -14.467 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.671 -13.072 -12.072 1.00 0.00 H new ATOM 1214 N ILE A 78 70.177 -12.051 -8.494 1.00 0.00 N ATOM 1215 CA ILE A 78 69.567 -12.836 -7.382 1.00 0.00 C ATOM 1216 C ILE A 78 68.046 -12.804 -7.494 1.00 0.00 C ATOM 1217 O ILE A 78 67.488 -12.024 -8.237 1.00 0.00 O ATOM 1218 CB ILE A 78 69.999 -12.135 -6.095 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.450 -11.657 -6.212 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.884 -13.112 -4.923 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.780 -10.754 -5.024 1.00 0.00 C ATOM 0 H ILE A 78 69.753 -11.140 -8.667 1.00 0.00 H new ATOM 0 HA ILE A 78 69.884 -13.879 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 78 69.353 -11.273 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.126 -12.512 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.592 -11.115 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.192 -12.615 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.851 -13.445 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.528 -13.973 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 78 72.812 -10.411 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.111 -9.894 -5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.653 -11.312 -4.096 1.00 0.00 H new ATOM 1233 N ASP A 79 67.370 -13.637 -6.754 1.00 0.00 N ATOM 1234 CA ASP A 79 65.882 -13.647 -6.813 1.00 0.00 C ATOM 1235 C ASP A 79 65.408 -13.501 -8.261 1.00 0.00 C ATOM 1236 O ASP A 79 64.442 -12.820 -8.544 1.00 0.00 O ATOM 1237 CB ASP A 79 65.446 -12.441 -5.981 1.00 0.00 C ATOM 1238 CG ASP A 79 64.761 -12.926 -4.702 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.777 -13.638 -4.814 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.232 -12.576 -3.633 1.00 0.00 O ATOM 0 H ASP A 79 67.784 -14.312 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 79 65.460 -14.578 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.310 -11.825 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 79 64.764 -11.815 -6.557 1.00 0.00 H new ATOM 1245 N GLY A 80 66.084 -14.133 -9.182 1.00 0.00 N ATOM 1246 CA GLY A 80 65.678 -14.030 -10.607 1.00 0.00 C ATOM 1247 C GLY A 80 65.717 -12.566 -11.050 1.00 0.00 C ATOM 1248 O GLY A 80 64.976 -12.151 -11.918 1.00 0.00 O ATOM 0 H GLY A 80 66.901 -14.717 -9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.345 -14.626 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.674 -14.433 -10.739 1.00 0.00 H new ATOM 1252 N ARG A 81 66.578 -11.779 -10.461 1.00 0.00 N ATOM 1253 CA ARG A 81 66.665 -10.343 -10.851 1.00 0.00 C ATOM 1254 C ARG A 81 67.906 -9.703 -10.223 1.00 0.00 C ATOM 1255 O ARG A 81 68.290 -10.025 -9.117 1.00 0.00 O ATOM 1256 CB ARG A 81 65.391 -9.701 -10.302 1.00 0.00 C ATOM 1257 CG ARG A 81 65.288 -9.967 -8.799 1.00 0.00 C ATOM 1258 CD ARG A 81 63.816 -9.970 -8.379 1.00 0.00 C ATOM 1259 NE ARG A 81 63.225 -8.771 -9.038 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.573 -7.893 -8.327 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.880 -8.277 -7.289 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.614 -6.631 -8.652 1.00 0.00 N ATOM 0 H ARG A 81 67.224 -12.069 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 81 66.750 -10.212 -11.930 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.402 -8.628 -10.492 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.518 -10.106 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.748 -10.925 -8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 81 65.833 -9.202 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.316 -10.884 -8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.715 -9.915 -7.295 1.00 0.00 H new ATOM 0 HE ARG A 81 63.330 -8.637 -10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.848 -9.264 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.370 -7.590 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.156 -6.330 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 81 62.104 -5.944 -8.096 1.00 0.00 H new ATOM 1276 N SER A 82 68.539 -8.803 -10.921 1.00 0.00 N ATOM 1277 CA SER A 82 69.758 -8.151 -10.364 1.00 0.00 C ATOM 1278 C SER A 82 69.368 -7.013 -9.416 1.00 0.00 C ATOM 1279 O SER A 82 68.591 -6.144 -9.758 1.00 0.00 O ATOM 1280 CB SER A 82 70.510 -7.602 -11.576 1.00 0.00 C ATOM 1281 OG SER A 82 69.914 -8.095 -12.770 1.00 0.00 O ATOM 0 H SER A 82 68.266 -8.490 -11.853 1.00 0.00 H new ATOM 0 HA SER A 82 70.367 -8.849 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.486 -6.512 -11.569 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.558 -7.898 -11.531 1.00 0.00 H new ATOM 0 HG SER A 82 70.396 -7.741 -13.546 1.00 0.00 H new ATOM 1287 N VAL A 83 69.911 -7.009 -8.228 1.00 0.00 N ATOM 1288 CA VAL A 83 69.581 -5.924 -7.259 1.00 0.00 C ATOM 1289 C VAL A 83 70.229 -4.610 -7.702 1.00 0.00 C ATOM 1290 O VAL A 83 71.293 -4.596 -8.287 1.00 0.00 O ATOM 1291 CB VAL A 83 70.162 -6.397 -5.924 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.291 -5.208 -4.968 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.230 -7.445 -5.311 1.00 0.00 C ATOM 0 H VAL A 83 70.569 -7.710 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 83 68.509 -5.738 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 83 71.147 -6.834 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.705 -5.548 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.952 -4.460 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.308 -4.769 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.640 -7.785 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.246 -7.005 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.139 -8.293 -5.990 1.00 0.00 H new ATOM 1303 N SER A 84 69.597 -3.502 -7.424 1.00 0.00 N ATOM 1304 CA SER A 84 70.181 -2.194 -7.829 1.00 0.00 C ATOM 1305 C SER A 84 70.861 -1.531 -6.632 1.00 0.00 C ATOM 1306 O SER A 84 70.335 -1.515 -5.536 1.00 0.00 O ATOM 1307 CB SER A 84 68.995 -1.356 -8.303 1.00 0.00 C ATOM 1308 OG SER A 84 68.298 -2.062 -9.320 1.00 0.00 O ATOM 0 H SER A 84 68.704 -3.447 -6.935 1.00 0.00 H new ATOM 0 HA SER A 84 70.937 -2.302 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.327 -1.145 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.343 -0.396 -8.684 1.00 0.00 H new ATOM 0 HG SER A 84 67.535 -1.528 -9.625 1.00 0.00 H new ATOM 1314 N LEU A 85 72.027 -0.987 -6.829 1.00 0.00 N ATOM 1315 CA LEU A 85 72.740 -0.329 -5.700 1.00 0.00 C ATOM 1316 C LEU A 85 72.605 1.193 -5.806 1.00 0.00 C ATOM 1317 O LEU A 85 72.741 1.766 -6.869 1.00 0.00 O ATOM 1318 CB LEU A 85 74.199 -0.755 -5.854 1.00 0.00 C ATOM 1319 CG LEU A 85 74.387 -2.148 -5.252 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.135 -3.039 -6.246 1.00 0.00 C ATOM 1321 CD2 LEU A 85 75.198 -2.038 -3.958 1.00 0.00 C ATOM 0 H LEU A 85 72.518 -0.969 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 85 72.334 -0.614 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.478 -0.761 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.853 -0.040 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 85 73.412 -2.584 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.268 -4.032 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 85 74.560 -3.118 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.110 -2.603 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 85 75.333 -3.030 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.173 -1.601 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 85 74.667 -1.404 -3.248 1.00 0.00 H new ATOM 1333 N TYR A 86 72.337 1.848 -4.711 1.00 0.00 N ATOM 1334 CA TYR A 86 72.191 3.329 -4.744 1.00 0.00 C ATOM 1335 C TYR A 86 73.156 3.971 -3.752 1.00 0.00 C ATOM 1336 O TYR A 86 72.879 4.059 -2.572 1.00 0.00 O ATOM 1337 CB TYR A 86 70.754 3.602 -4.316 1.00 0.00 C ATOM 1338 CG TYR A 86 69.836 3.494 -5.504 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.499 2.236 -6.014 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.315 4.651 -6.091 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.641 2.135 -7.113 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.458 4.552 -7.190 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.119 3.293 -7.702 1.00 0.00 C ATOM 1344 OH TYR A 86 67.272 3.195 -8.788 1.00 0.00 O ATOM 0 H TYR A 86 72.213 1.420 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 86 72.411 3.738 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.453 2.890 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.679 4.597 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 86 69.901 1.343 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.575 5.621 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.381 1.164 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.057 5.446 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 86 67.000 4.092 -9.073 1.00 0.00 H new ATOM 1354 N TYR A 87 74.281 4.416 -4.218 1.00 0.00 N ATOM 1355 CA TYR A 87 75.265 5.052 -3.304 1.00 0.00 C ATOM 1356 C TYR A 87 74.580 6.107 -2.440 1.00 0.00 C ATOM 1357 O TYR A 87 73.385 6.313 -2.511 1.00 0.00 O ATOM 1358 CB TYR A 87 76.289 5.707 -4.224 1.00 0.00 C ATOM 1359 CG TYR A 87 77.659 5.660 -3.593 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.349 4.446 -3.514 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.242 6.831 -3.097 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.625 4.402 -2.938 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.517 6.789 -2.519 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.208 5.574 -2.440 1.00 0.00 C ATOM 1365 OH TYR A 87 81.465 5.531 -1.874 1.00 0.00 O ATOM 0 H TYR A 87 74.565 4.368 -5.196 1.00 0.00 H new ATOM 0 HA TYR A 87 75.722 4.331 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.305 5.194 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.005 6.741 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.898 3.543 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 87 77.709 7.768 -3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.159 3.465 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 87 79.967 7.693 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 87 81.391 5.268 -0.933 1.00 0.00 H new ATOM 1375 N THR A 88 75.336 6.780 -1.630 1.00 0.00 N ATOM 1376 CA THR A 88 74.741 7.833 -0.756 1.00 0.00 C ATOM 1377 C THR A 88 75.838 8.592 -0.007 1.00 0.00 C ATOM 1378 O THR A 88 75.651 9.031 1.111 1.00 0.00 O ATOM 1379 CB THR A 88 73.846 7.075 0.225 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.156 8.005 1.049 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.704 6.157 1.098 1.00 0.00 C ATOM 0 H THR A 88 76.343 6.651 -1.531 1.00 0.00 H new ATOM 0 HA THR A 88 74.184 8.574 -1.329 1.00 0.00 H new ATOM 0 HB THR A 88 73.125 6.475 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 88 73.788 8.673 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.065 5.617 1.797 1.00 0.00 H new ATOM 0 HG22 THR A 88 75.233 5.444 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 88 75.426 6.755 1.654 1.00 0.00 H new