USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 11 GLN : amide:sc= 0.901 K(o=2,f=-0.26) USER MOD Set 1.2: A 78 TYR OH : rot 48:sc= 1.08 USER MOD Set 2.1: A 40 TYR OH : rot 30:sc= 0.562 USER MOD Set 2.2: A 92 ASN : amide:sc= 0.318 K(o=0.88,f=-2.7!) USER MOD Single : A 0 MET CE :methyl -128:sc= -1.05 (180deg=-3.46!) USER MOD Single : A 0 MET N :NH3+ -175:sc= 0 (180deg=-0.0311) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -165:sc= 1.26 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 21 THR OG1 : rot 170:sc= 0.0562 USER MOD Single : A 24 MET CE :methyl 135:sc= -0.0585 (180deg=-0.637) USER MOD Single : A 25 CYS SG : rot 19:sc= -1.51 USER MOD Single : A 33 ASN : amide:sc= -0.887! K(o=-0.89!,f=0) USER MOD Single : A 37 SER OG : rot -35:sc= -1.43! USER MOD Single : A 42 MET CE :methyl 169:sc= -0.421 (180deg=-0.903) USER MOD Single : A 48 THR OG1 : rot -68:sc= 0.613 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -170:sc= 0.367 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.024 USER MOD Single : A 73 GLN : amide:sc= 0.547 K(o=0.55,f=-0.65) USER MOD Single : A 74 THR OG1 : rot 84:sc= 0.234 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 87 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=0) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 97.272 10.563 -1.885 1.00 0.00 N ATOM 296 CA MET A 0 97.216 9.124 -1.659 1.00 0.00 C ATOM 297 C MET A 0 96.590 8.414 -2.852 1.00 0.00 C ATOM 298 O MET A 0 95.490 8.756 -3.282 1.00 0.00 O ATOM 299 CB MET A 0 96.424 8.803 -0.390 1.00 0.00 C ATOM 300 CG MET A 0 97.111 9.254 0.888 1.00 0.00 C ATOM 301 SD MET A 0 98.734 8.498 1.109 1.00 0.00 S ATOM 302 CE MET A 0 98.304 6.758 1.140 1.00 0.00 C ATOM 0 H1 MET A 0 97.778 11.018 -1.099 1.00 0.00 H new ATOM 0 H2 MET A 0 97.772 10.755 -2.776 1.00 0.00 H new ATOM 0 H3 MET A 0 96.306 10.943 -1.942 1.00 0.00 H new ATOM 0 HA MET A 0 98.238 8.767 -1.534 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.445 9.278 -0.453 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.254 7.728 -0.341 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.219 10.339 0.875 1.00 0.00 H new ATOM 0 HG3 MET A 0 96.480 9.007 1.742 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.734 6.293 2.027 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.219 6.652 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.696 6.270 0.248 1.00 0.00 H new ATOM 312 N MET A 1 97.296 7.424 -3.380 1.00 0.00 N ATOM 313 CA MET A 1 96.830 6.690 -4.549 1.00 0.00 C ATOM 314 C MET A 1 96.140 5.392 -4.139 1.00 0.00 C ATOM 315 O MET A 1 95.990 4.474 -4.943 1.00 0.00 O ATOM 316 CB MET A 1 98.000 6.397 -5.493 1.00 0.00 C ATOM 317 CG MET A 1 98.705 7.650 -5.985 1.00 0.00 C ATOM 318 SD MET A 1 100.011 7.305 -7.181 1.00 0.00 S ATOM 319 CE MET A 1 100.610 8.964 -7.492 1.00 0.00 C ATOM 0 H MET A 1 98.196 7.110 -3.017 1.00 0.00 H new ATOM 0 HA MET A 1 96.102 7.310 -5.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.721 5.761 -4.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.633 5.834 -6.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.972 8.317 -6.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.132 8.178 -5.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 101.425 8.927 -8.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 99.800 9.575 -7.890 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.971 9.401 -6.561 1.00 0.00 H new ATOM 329 N PHE A 2 95.727 5.329 -2.880 1.00 0.00 N ATOM 330 CA PHE A 2 94.971 4.189 -2.371 1.00 0.00 C ATOM 331 C PHE A 2 93.584 4.166 -3.010 1.00 0.00 C ATOM 332 O PHE A 2 92.744 5.024 -2.728 1.00 0.00 O ATOM 333 CB PHE A 2 94.860 4.275 -0.842 1.00 0.00 C ATOM 334 CG PHE A 2 94.124 3.129 -0.198 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.798 1.976 0.166 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.763 3.212 0.060 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.132 0.926 0.769 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.092 2.166 0.665 1.00 0.00 C ATOM 339 CZ PHE A 2 92.776 1.021 1.021 1.00 0.00 C ATOM 0 H PHE A 2 95.903 6.057 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 2 95.490 3.266 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.864 4.326 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.356 5.205 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.858 1.896 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.221 4.105 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.671 0.031 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.033 2.244 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.254 0.203 1.494 1.00 0.00 H new ATOM 349 N LYS A 3 93.356 3.203 -3.890 1.00 0.00 N ATOM 350 CA LYS A 3 92.082 3.103 -4.580 1.00 0.00 C ATOM 351 C LYS A 3 91.164 2.135 -3.850 1.00 0.00 C ATOM 352 O LYS A 3 91.578 1.040 -3.474 1.00 0.00 O ATOM 353 CB LYS A 3 92.279 2.641 -6.025 1.00 0.00 C ATOM 354 CG LYS A 3 91.013 2.734 -6.862 1.00 0.00 C ATOM 355 CD LYS A 3 91.158 2.008 -8.186 1.00 0.00 C ATOM 356 CE LYS A 3 89.889 2.113 -9.013 1.00 0.00 C ATOM 357 NZ LYS A 3 89.900 1.176 -10.165 1.00 0.00 N ATOM 0 H LYS A 3 94.034 2.483 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 3 91.624 4.092 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 3 93.059 3.245 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.632 1.610 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.177 2.311 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 3 90.775 3.782 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.995 2.428 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.391 0.959 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.026 1.902 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 3 89.776 3.134 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 89.017 1.278 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 90.709 1.393 -10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 89.982 0.199 -9.817 1.00 0.00 H new ATOM 371 N LEU A 4 89.924 2.545 -3.644 1.00 0.00 N ATOM 372 CA LEU A 4 88.951 1.718 -2.955 1.00 0.00 C ATOM 373 C LEU A 4 87.682 1.593 -3.796 1.00 0.00 C ATOM 374 O LEU A 4 86.996 2.583 -4.046 1.00 0.00 O ATOM 375 CB LEU A 4 88.653 2.325 -1.572 1.00 0.00 C ATOM 376 CG LEU A 4 87.789 1.478 -0.628 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.093 1.827 0.819 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.313 1.702 -0.902 1.00 0.00 C ATOM 0 H LEU A 4 89.567 3.451 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 4 89.353 0.715 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.602 2.529 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 4 88.158 3.285 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 4 88.025 0.429 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.473 1.219 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.145 1.631 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.879 2.882 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.720 1.091 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.070 2.754 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.087 1.422 -1.931 1.00 0.00 H new ATOM 390 N THR A 5 87.397 0.378 -4.250 1.00 0.00 N ATOM 391 CA THR A 5 86.207 0.107 -5.050 1.00 0.00 C ATOM 392 C THR A 5 84.940 0.324 -4.221 1.00 0.00 C ATOM 393 O THR A 5 84.880 -0.086 -3.061 1.00 0.00 O ATOM 394 CB THR A 5 86.226 -1.346 -5.576 1.00 0.00 C ATOM 395 OG1 THR A 5 87.500 -1.636 -6.148 1.00 0.00 O ATOM 396 CG2 THR A 5 85.149 -1.579 -6.626 1.00 0.00 C ATOM 0 H THR A 5 87.979 -0.442 -4.076 1.00 0.00 H new ATOM 0 HA THR A 5 86.208 0.797 -5.894 1.00 0.00 H new ATOM 0 HB THR A 5 86.031 -2.004 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.441 -2.457 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 5 85.195 -2.612 -6.971 1.00 0.00 H new ATOM 0 HG22 THR A 5 84.169 -1.385 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.311 -0.907 -7.469 1.00 0.00 H new ATOM 404 N PRO A 6 83.910 0.971 -4.802 1.00 0.00 N ATOM 405 CA PRO A 6 82.622 1.205 -4.134 1.00 0.00 C ATOM 406 C PRO A 6 82.030 -0.069 -3.531 1.00 0.00 C ATOM 407 O PRO A 6 81.309 -0.017 -2.533 1.00 0.00 O ATOM 408 CB PRO A 6 81.713 1.734 -5.254 1.00 0.00 C ATOM 409 CG PRO A 6 82.470 1.523 -6.525 1.00 0.00 C ATOM 410 CD PRO A 6 83.921 1.553 -6.151 1.00 0.00 C ATOM 0 HA PRO A 6 82.731 1.893 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.763 1.200 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.483 2.789 -5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.205 0.570 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.238 2.302 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.531 0.969 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.320 2.567 -6.153 1.00 0.00 H new ATOM 418 N ALA A 7 82.352 -1.212 -4.130 1.00 0.00 N ATOM 419 CA ALA A 7 81.890 -2.498 -3.626 1.00 0.00 C ATOM 420 C ALA A 7 82.449 -2.757 -2.230 1.00 0.00 C ATOM 421 O ALA A 7 81.773 -3.317 -1.370 1.00 0.00 O ATOM 422 CB ALA A 7 82.288 -3.615 -4.578 1.00 0.00 C ATOM 0 H ALA A 7 82.932 -1.272 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 7 80.802 -2.473 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.935 -4.569 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.841 -3.436 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 7 83.373 -3.641 -4.675 1.00 0.00 H new ATOM 428 N ALA A 8 83.687 -2.330 -2.008 1.00 0.00 N ATOM 429 CA ALA A 8 84.323 -2.466 -0.707 1.00 0.00 C ATOM 430 C ALA A 8 83.827 -1.381 0.240 1.00 0.00 C ATOM 431 O ALA A 8 83.727 -1.592 1.447 1.00 0.00 O ATOM 432 CB ALA A 8 85.837 -2.402 -0.846 1.00 0.00 C ATOM 0 H ALA A 8 84.270 -1.885 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 8 84.057 -3.437 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.297 -2.505 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.177 -3.210 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.122 -1.444 -1.281 1.00 0.00 H new ATOM 438 N ALA A 9 83.499 -0.223 -0.325 1.00 0.00 N ATOM 439 CA ALA A 9 83.003 0.906 0.456 1.00 0.00 C ATOM 440 C ALA A 9 81.696 0.557 1.152 1.00 0.00 C ATOM 441 O ALA A 9 81.495 0.894 2.318 1.00 0.00 O ATOM 442 CB ALA A 9 82.818 2.128 -0.431 1.00 0.00 C ATOM 0 H ALA A 9 83.568 -0.041 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 9 83.745 1.137 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.448 2.960 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.774 2.401 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.100 1.900 -1.219 1.00 0.00 H new ATOM 448 N GLU A 10 80.814 -0.133 0.437 1.00 0.00 N ATOM 449 CA GLU A 10 79.530 -0.537 0.994 1.00 0.00 C ATOM 450 C GLU A 10 79.701 -1.616 2.057 1.00 0.00 C ATOM 451 O GLU A 10 78.835 -1.788 2.912 1.00 0.00 O ATOM 452 CB GLU A 10 78.590 -1.015 -0.108 1.00 0.00 C ATOM 453 CG GLU A 10 78.080 0.110 -0.990 1.00 0.00 C ATOM 454 CD GLU A 10 77.105 -0.368 -2.041 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.029 -0.883 -1.672 1.00 0.00 O ATOM 456 OE2 GLU A 10 77.400 -0.216 -3.244 1.00 0.00 O ATOM 0 H GLU A 10 80.965 -0.424 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 10 79.087 0.336 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.109 -1.746 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 10 77.741 -1.526 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.597 0.863 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 10 78.925 0.595 -1.478 1.00 0.00 H new ATOM 463 N GLN A 11 80.818 -2.332 2.005 1.00 0.00 N ATOM 464 CA GLN A 11 81.137 -3.318 3.031 1.00 0.00 C ATOM 465 C GLN A 11 81.613 -2.607 4.294 1.00 0.00 C ATOM 466 O GLN A 11 81.268 -2.995 5.409 1.00 0.00 O ATOM 467 CB GLN A 11 82.208 -4.291 2.531 1.00 0.00 C ATOM 468 CG GLN A 11 82.596 -5.357 3.548 1.00 0.00 C ATOM 469 CD GLN A 11 81.443 -6.272 3.923 1.00 0.00 C ATOM 470 OE1 GLN A 11 80.546 -6.530 3.119 1.00 0.00 O ATOM 471 NE2 GLN A 11 81.465 -6.770 5.149 1.00 0.00 N ATOM 0 H GLN A 11 81.516 -2.249 1.266 1.00 0.00 H new ATOM 0 HA GLN A 11 80.239 -3.892 3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.847 -4.780 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 11 83.098 -3.726 2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 11 83.411 -5.957 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 11 82.974 -4.872 4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.227 -6.530 5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 11 80.720 -7.393 5.460 1.00 0.00 H new ATOM 480 N VAL A 12 82.400 -1.555 4.107 1.00 0.00 N ATOM 481 CA VAL A 12 82.831 -0.717 5.219 1.00 0.00 C ATOM 482 C VAL A 12 81.623 -0.022 5.841 1.00 0.00 C ATOM 483 O VAL A 12 81.480 0.040 7.063 1.00 0.00 O ATOM 484 CB VAL A 12 83.865 0.338 4.765 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.304 1.211 5.931 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.069 -0.333 4.120 1.00 0.00 C ATOM 0 H VAL A 12 82.753 -1.262 3.196 1.00 0.00 H new ATOM 0 HA VAL A 12 83.308 -1.359 5.959 1.00 0.00 H new ATOM 0 HB VAL A 12 83.387 0.978 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.031 1.944 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.438 1.727 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.757 0.588 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.785 0.427 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.541 -1.002 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.744 -0.905 3.251 1.00 0.00 H new ATOM 496 N LEU A 13 80.740 0.475 4.982 1.00 0.00 N ATOM 497 CA LEU A 13 79.512 1.119 5.426 1.00 0.00 C ATOM 498 C LEU A 13 78.584 0.098 6.084 1.00 0.00 C ATOM 499 O LEU A 13 77.794 0.439 6.957 1.00 0.00 O ATOM 500 CB LEU A 13 78.812 1.795 4.243 1.00 0.00 C ATOM 501 CG LEU A 13 77.586 2.639 4.602 1.00 0.00 C ATOM 502 CD1 LEU A 13 77.973 3.777 5.535 1.00 0.00 C ATOM 503 CD2 LEU A 13 76.932 3.184 3.342 1.00 0.00 C ATOM 0 H LEU A 13 80.854 0.443 3.969 1.00 0.00 H new ATOM 0 HA LEU A 13 79.763 1.881 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.533 2.432 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.507 1.025 3.534 1.00 0.00 H new ATOM 0 HG LEU A 13 76.868 2.002 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 13 77.088 4.365 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.400 3.368 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.709 4.415 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.062 3.782 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.646 3.806 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.619 2.355 2.707 1.00 0.00 H new ATOM 515 N LYS A 14 78.699 -1.158 5.661 1.00 0.00 N ATOM 516 CA LYS A 14 77.934 -2.253 6.256 1.00 0.00 C ATOM 517 C LYS A 14 78.322 -2.423 7.723 1.00 0.00 C ATOM 518 O LYS A 14 77.467 -2.619 8.589 1.00 0.00 O ATOM 519 CB LYS A 14 78.189 -3.550 5.478 1.00 0.00 C ATOM 520 CG LYS A 14 77.398 -4.755 5.969 1.00 0.00 C ATOM 521 CD LYS A 14 77.707 -5.986 5.126 1.00 0.00 C ATOM 522 CE LYS A 14 76.898 -7.197 5.567 1.00 0.00 C ATOM 523 NZ LYS A 14 77.161 -8.384 4.707 1.00 0.00 N ATOM 0 H LYS A 14 79.319 -1.445 4.903 1.00 0.00 H new ATOM 0 HA LYS A 14 76.871 -2.018 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.951 -3.380 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 14 79.252 -3.785 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.640 -4.954 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.331 -4.537 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.495 -5.771 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 14 78.770 -6.215 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 14 77.140 -7.438 6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.836 -6.955 5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.591 -9.187 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.906 -8.163 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 78.170 -8.631 4.756 1.00 0.00 H new ATOM 537 N ALA A 15 79.617 -2.318 7.996 1.00 0.00 N ATOM 538 CA ALA A 15 80.121 -2.412 9.358 1.00 0.00 C ATOM 539 C ALA A 15 79.582 -1.269 10.212 1.00 0.00 C ATOM 540 O ALA A 15 79.212 -1.468 11.369 1.00 0.00 O ATOM 541 CB ALA A 15 81.643 -2.414 9.363 1.00 0.00 C ATOM 0 H ALA A 15 80.337 -2.167 7.290 1.00 0.00 H new ATOM 0 HA ALA A 15 79.774 -3.351 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.003 -2.485 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.008 -3.267 8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.010 -1.492 8.913 1.00 0.00 H new ATOM 547 N ALA A 16 79.526 -0.077 9.628 1.00 0.00 N ATOM 548 CA ALA A 16 78.980 1.088 10.314 1.00 0.00 C ATOM 549 C ALA A 16 77.465 0.968 10.453 1.00 0.00 C ATOM 550 O ALA A 16 76.873 1.472 11.406 1.00 0.00 O ATOM 551 CB ALA A 16 79.350 2.363 9.569 1.00 0.00 C ATOM 0 H ALA A 16 79.853 0.108 8.680 1.00 0.00 H new ATOM 0 HA ALA A 16 79.412 1.134 11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 16 78.935 3.224 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 16 80.435 2.455 9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 16 78.945 2.324 8.558 1.00 0.00 H new ATOM 557 N LYS A 17 76.849 0.285 9.494 1.00 0.00 N ATOM 558 CA LYS A 17 75.410 0.044 9.506 1.00 0.00 C ATOM 559 C LYS A 17 75.026 -0.845 10.686 1.00 0.00 C ATOM 560 O LYS A 17 73.897 -0.799 11.175 1.00 0.00 O ATOM 561 CB LYS A 17 74.977 -0.612 8.191 1.00 0.00 C ATOM 562 CG LYS A 17 73.476 -0.819 8.065 1.00 0.00 C ATOM 563 CD LYS A 17 73.143 -1.681 6.861 1.00 0.00 C ATOM 564 CE LYS A 17 71.648 -1.912 6.731 1.00 0.00 C ATOM 565 NZ LYS A 17 71.341 -2.923 5.689 1.00 0.00 N ATOM 0 H LYS A 17 77.331 -0.116 8.689 1.00 0.00 H new ATOM 0 HA LYS A 17 74.898 1.001 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.319 0.005 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.475 -1.577 8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.093 -1.290 8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 17 72.979 0.147 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.517 -1.202 5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.653 -2.640 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.245 -2.242 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.154 -0.972 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.311 -3.056 5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.704 -2.596 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.792 -3.826 5.938 1.00 0.00 H new ATOM 579 N GLN A 18 75.972 -1.662 11.134 1.00 0.00 N ATOM 580 CA GLN A 18 75.768 -2.491 12.317 1.00 0.00 C ATOM 581 C GLN A 18 75.690 -1.629 13.578 1.00 0.00 C ATOM 582 O GLN A 18 75.203 -2.077 14.621 1.00 0.00 O ATOM 583 CB GLN A 18 76.894 -3.517 12.452 1.00 0.00 C ATOM 584 CG GLN A 18 76.959 -4.505 11.300 1.00 0.00 C ATOM 585 CD GLN A 18 78.076 -5.516 11.459 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.120 -5.226 12.046 1.00 0.00 O ATOM 587 NE2 GLN A 18 77.862 -6.713 10.942 1.00 0.00 N ATOM 0 H GLN A 18 76.887 -1.769 10.697 1.00 0.00 H new ATOM 0 HA GLN A 18 74.822 -3.020 12.200 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.846 -2.991 12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.763 -4.067 13.384 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.007 -5.030 11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 18 77.098 -3.960 10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 18 76.983 -6.912 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.575 -7.438 11.021 1.00 0.00 H new ATOM 596 N GLY A 19 76.172 -0.398 13.477 1.00 0.00 N ATOM 597 CA GLY A 19 76.114 0.524 14.595 1.00 0.00 C ATOM 598 C GLY A 19 77.327 0.420 15.497 1.00 0.00 C ATOM 599 O GLY A 19 78.041 -0.583 15.477 1.00 0.00 O ATOM 0 H GLY A 19 76.605 -0.019 12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.033 1.543 14.217 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.214 0.327 15.178 1.00 0.00 H new ATOM 603 N GLY A 20 77.573 1.462 16.277 1.00 0.00 N ATOM 604 CA GLY A 20 78.667 1.431 17.234 1.00 0.00 C ATOM 605 C GLY A 20 79.927 2.086 16.703 1.00 0.00 C ATOM 606 O GLY A 20 80.454 3.014 17.314 1.00 0.00 O ATOM 0 H GLY A 20 77.037 2.330 16.267 1.00 0.00 H new ATOM 0 HA2 GLY A 20 78.358 1.936 18.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 78.884 0.396 17.498 1.00 0.00 H new ATOM 610 N THR A 21 80.396 1.619 15.553 1.00 0.00 N ATOM 611 CA THR A 21 81.605 2.157 14.935 1.00 0.00 C ATOM 612 C THR A 21 81.326 3.484 14.226 1.00 0.00 C ATOM 613 O THR A 21 82.168 4.004 13.492 1.00 0.00 O ATOM 614 CB THR A 21 82.196 1.149 13.931 1.00 0.00 C ATOM 615 OG1 THR A 21 81.136 0.477 13.235 1.00 0.00 O ATOM 616 CG2 THR A 21 83.076 0.128 14.636 1.00 0.00 C ATOM 0 H THR A 21 79.956 0.865 15.026 1.00 0.00 H new ATOM 0 HA THR A 21 82.327 2.336 15.732 1.00 0.00 H new ATOM 0 HB THR A 21 82.811 1.698 13.218 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.509 -0.040 12.491 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.480 -0.571 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.896 0.640 15.140 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.483 -0.418 15.370 1.00 0.00 H new ATOM 624 N GLU A 22 80.144 4.030 14.469 1.00 0.00 N ATOM 625 CA GLU A 22 79.721 5.281 13.861 1.00 0.00 C ATOM 626 C GLU A 22 80.431 6.458 14.519 1.00 0.00 C ATOM 627 O GLU A 22 80.113 6.841 15.647 1.00 0.00 O ATOM 628 CB GLU A 22 78.209 5.423 13.997 1.00 0.00 C ATOM 629 CG GLU A 22 77.456 4.219 13.461 1.00 0.00 C ATOM 630 CD GLU A 22 75.995 4.230 13.834 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.665 3.769 14.944 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.168 4.685 13.012 1.00 0.00 O ATOM 0 H GLU A 22 79.451 3.617 15.094 1.00 0.00 H new ATOM 0 HA GLU A 22 79.985 5.275 12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.955 5.567 15.047 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.883 6.317 13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.549 4.192 12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.917 3.308 13.843 1.00 0.00 H new ATOM 639 N GLY A 23 81.393 7.025 13.810 1.00 0.00 N ATOM 640 CA GLY A 23 82.215 8.076 14.373 1.00 0.00 C ATOM 641 C GLY A 23 83.666 7.654 14.429 1.00 0.00 C ATOM 642 O GLY A 23 84.557 8.459 14.701 1.00 0.00 O ATOM 0 H GLY A 23 81.621 6.775 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 23 82.118 8.980 13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.864 8.320 15.376 1.00 0.00 H new ATOM 646 N MET A 24 83.892 6.373 14.179 1.00 0.00 N ATOM 647 CA MET A 24 85.234 5.831 14.098 1.00 0.00 C ATOM 648 C MET A 24 85.659 5.793 12.638 1.00 0.00 C ATOM 649 O MET A 24 84.898 5.355 11.775 1.00 0.00 O ATOM 650 CB MET A 24 85.288 4.428 14.711 1.00 0.00 C ATOM 651 CG MET A 24 84.789 4.373 16.148 1.00 0.00 C ATOM 652 SD MET A 24 84.851 2.713 16.850 1.00 0.00 S ATOM 653 CE MET A 24 86.619 2.430 16.890 1.00 0.00 C ATOM 0 H MET A 24 83.153 5.686 14.028 1.00 0.00 H new ATOM 0 HA MET A 24 85.918 6.465 14.662 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.690 3.751 14.101 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.315 4.065 14.677 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.390 5.044 16.762 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.763 4.740 16.185 1.00 0.00 H new ATOM 0 HE1 MET A 24 86.897 1.997 17.851 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.896 1.744 16.090 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.142 3.376 16.754 1.00 0.00 H new ATOM 663 N CYS A 25 86.861 6.262 12.361 1.00 0.00 N ATOM 664 CA CYS A 25 87.325 6.390 10.991 1.00 0.00 C ATOM 665 C CYS A 25 88.048 5.123 10.550 1.00 0.00 C ATOM 666 O CYS A 25 88.551 4.364 11.383 1.00 0.00 O ATOM 667 CB CYS A 25 88.242 7.607 10.871 1.00 0.00 C ATOM 668 SG CYS A 25 88.757 8.007 9.184 1.00 0.00 S ATOM 0 H CYS A 25 87.535 6.561 13.066 1.00 0.00 H new ATOM 0 HA CYS A 25 86.465 6.530 10.336 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.731 8.472 11.294 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.132 7.434 11.476 1.00 0.00 H new ATOM 0 HG CYS A 25 87.954 7.433 8.338 1.00 0.00 H new ATOM 674 N LEU A 26 88.085 4.894 9.243 1.00 0.00 N ATOM 675 CA LEU A 26 88.757 3.732 8.690 1.00 0.00 C ATOM 676 C LEU A 26 90.267 3.920 8.760 1.00 0.00 C ATOM 677 O LEU A 26 90.858 4.638 7.950 1.00 0.00 O ATOM 678 CB LEU A 26 88.312 3.493 7.244 1.00 0.00 C ATOM 679 CG LEU A 26 88.893 2.242 6.580 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.465 0.988 7.328 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.463 2.165 5.123 1.00 0.00 C ATOM 0 H LEU A 26 87.655 5.502 8.546 1.00 0.00 H new ATOM 0 HA LEU A 26 88.486 2.856 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.224 3.424 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.588 4.363 6.648 1.00 0.00 H new ATOM 0 HG LEU A 26 89.980 2.308 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.889 0.111 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.822 1.038 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.377 0.916 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.885 1.270 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.375 2.123 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.820 3.047 4.591 1.00 0.00 H new ATOM 693 N ARG A 27 90.880 3.285 9.742 1.00 0.00 N ATOM 694 CA ARG A 27 92.306 3.412 9.961 1.00 0.00 C ATOM 695 C ARG A 27 93.018 2.168 9.455 1.00 0.00 C ATOM 696 O ARG A 27 92.722 1.049 9.883 1.00 0.00 O ATOM 697 CB ARG A 27 92.594 3.629 11.446 1.00 0.00 C ATOM 698 CG ARG A 27 94.039 3.987 11.733 1.00 0.00 C ATOM 699 CD ARG A 27 94.235 4.407 13.179 1.00 0.00 C ATOM 700 NE ARG A 27 95.549 5.004 13.388 1.00 0.00 N ATOM 701 CZ ARG A 27 95.794 6.304 13.248 1.00 0.00 C ATOM 702 NH1 ARG A 27 94.797 7.152 13.024 1.00 0.00 N ATOM 703 NH2 ARG A 27 97.029 6.762 13.366 1.00 0.00 N ATOM 0 H ARG A 27 90.406 2.671 10.405 1.00 0.00 H new ATOM 0 HA ARG A 27 92.677 4.276 9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 27 91.949 4.424 11.821 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.336 2.723 11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.677 3.131 11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.352 4.796 11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 27 93.461 5.121 13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.120 3.540 13.830 1.00 0.00 H new ATOM 0 HE ARG A 27 96.321 4.393 13.656 1.00 0.00 H new ATOM 0 HH11 ARG A 27 93.839 6.807 12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 27 94.989 8.148 12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 27 97.795 6.118 13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 27 97.216 7.759 13.258 1.00 0.00 H new ATOM 717 N LEU A 28 93.950 2.367 8.542 1.00 0.00 N ATOM 718 CA LEU A 28 94.636 1.256 7.903 1.00 0.00 C ATOM 719 C LEU A 28 96.010 1.036 8.518 1.00 0.00 C ATOM 720 O LEU A 28 96.635 1.972 9.020 1.00 0.00 O ATOM 721 CB LEU A 28 94.778 1.518 6.404 1.00 0.00 C ATOM 722 CG LEU A 28 93.475 1.835 5.671 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.745 2.059 4.195 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.464 0.717 5.864 1.00 0.00 C ATOM 0 H LEU A 28 94.251 3.289 8.225 1.00 0.00 H new ATOM 0 HA LEU A 28 94.040 0.357 8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.468 2.350 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.233 0.643 5.940 1.00 0.00 H new ATOM 0 HG LEU A 28 93.055 2.749 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.809 2.284 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.434 2.895 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.186 1.160 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.544 0.963 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 28 92.872 -0.214 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.250 0.599 6.926 1.00 0.00 H new ATOM 736 N ALA A 29 96.470 -0.205 8.474 1.00 0.00 N ATOM 737 CA ALA A 29 97.787 -0.559 8.970 1.00 0.00 C ATOM 738 C ALA A 29 98.443 -1.560 8.033 1.00 0.00 C ATOM 739 O ALA A 29 97.810 -2.525 7.605 1.00 0.00 O ATOM 740 CB ALA A 29 97.690 -1.129 10.378 1.00 0.00 C ATOM 0 H ALA A 29 95.942 -0.991 8.095 1.00 0.00 H new ATOM 0 HA ALA A 29 98.402 0.340 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.687 -1.389 10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.250 -0.385 11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.064 -2.021 10.367 1.00 0.00 H new ATOM 746 N ALA A 30 99.699 -1.322 7.698 1.00 0.00 N ATOM 747 CA ALA A 30 100.428 -2.212 6.811 1.00 0.00 C ATOM 748 C ALA A 30 101.743 -2.632 7.442 1.00 0.00 C ATOM 749 O ALA A 30 102.604 -1.794 7.719 1.00 0.00 O ATOM 750 CB ALA A 30 100.674 -1.544 5.470 1.00 0.00 C ATOM 0 H ALA A 30 100.236 -0.519 8.027 1.00 0.00 H new ATOM 0 HA ALA A 30 99.823 -3.104 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.221 -2.226 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.719 -1.290 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.258 -0.636 5.618 1.00 0.00 H new ATOM 756 N GLY A 31 101.891 -3.923 7.673 1.00 0.00 N ATOM 757 CA GLY A 31 103.096 -4.434 8.284 1.00 0.00 C ATOM 758 C GLY A 31 103.944 -5.198 7.295 1.00 0.00 C ATOM 759 O GLY A 31 103.418 -5.907 6.439 1.00 0.00 O ATOM 0 H GLY A 31 101.193 -4.632 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.674 -3.607 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 102.833 -5.085 9.117 1.00 0.00 H new ATOM 763 N ARG A 32 105.251 -5.047 7.392 1.00 0.00 N ATOM 764 CA ARG A 32 106.156 -5.754 6.506 1.00 0.00 C ATOM 765 C ARG A 32 106.509 -7.120 7.082 1.00 0.00 C ATOM 766 O ARG A 32 106.952 -7.228 8.226 1.00 0.00 O ATOM 767 CB ARG A 32 107.425 -4.932 6.262 1.00 0.00 C ATOM 768 CG ARG A 32 108.520 -5.700 5.539 1.00 0.00 C ATOM 769 CD ARG A 32 109.720 -4.822 5.232 1.00 0.00 C ATOM 770 NE ARG A 32 109.530 -4.022 4.020 1.00 0.00 N ATOM 771 CZ ARG A 32 110.324 -3.013 3.665 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.242 -2.552 4.509 1.00 0.00 N ATOM 773 NH2 ARG A 32 110.163 -2.436 2.480 1.00 0.00 N ATOM 0 H ARG A 32 105.709 -4.442 8.074 1.00 0.00 H new ATOM 0 HA ARG A 32 105.653 -5.901 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.168 -4.048 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.810 -4.582 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 32 108.836 -6.545 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 32 108.123 -6.110 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.907 -4.159 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 32 110.605 -5.448 5.116 1.00 0.00 H new ATOM 0 HE ARG A 32 108.744 -4.251 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 32 111.341 -2.971 5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 32 111.847 -1.779 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 32 109.434 -2.766 1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 32 110.768 -1.663 2.203 1.00 0.00 H new ATOM 787 N ASN A 33 106.285 -8.154 6.288 1.00 0.00 N ATOM 788 CA ASN A 33 106.658 -9.509 6.661 1.00 0.00 C ATOM 789 C ASN A 33 108.118 -9.731 6.294 1.00 0.00 C ATOM 790 O ASN A 33 108.686 -8.943 5.535 1.00 0.00 O ATOM 791 CB ASN A 33 105.787 -10.540 5.929 1.00 0.00 C ATOM 792 CG ASN A 33 104.299 -10.345 6.149 1.00 0.00 C ATOM 793 OD1 ASN A 33 103.722 -10.860 7.108 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.666 -9.620 5.241 1.00 0.00 N ATOM 0 H ASN A 33 105.842 -8.079 5.372 1.00 0.00 H new ATOM 0 HA ASN A 33 106.509 -9.635 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.998 -10.488 4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.067 -11.540 6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.660 -9.469 5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.184 -9.212 4.463 1.00 0.00 H new ATOM 834 N SER A 37 107.479 -8.778 1.877 1.00 0.00 N ATOM 835 CA SER A 37 106.043 -8.886 1.585 1.00 0.00 C ATOM 836 C SER A 37 105.197 -8.066 2.564 1.00 0.00 C ATOM 837 O SER A 37 105.483 -8.011 3.758 1.00 0.00 O ATOM 838 CB SER A 37 105.607 -10.351 1.605 1.00 0.00 C ATOM 839 OG SER A 37 106.044 -11.002 2.784 1.00 0.00 O ATOM 0 HA SER A 37 105.879 -8.476 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.521 -10.410 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.011 -10.865 0.732 1.00 0.00 H new ATOM 0 HG SER A 37 106.915 -10.642 3.052 1.00 0.00 H new ATOM 845 N ILE A 38 104.153 -7.430 2.053 1.00 0.00 N ATOM 846 CA ILE A 38 103.331 -6.539 2.865 1.00 0.00 C ATOM 847 C ILE A 38 102.063 -7.235 3.363 1.00 0.00 C ATOM 848 O ILE A 38 101.380 -7.914 2.601 1.00 0.00 O ATOM 849 CB ILE A 38 102.923 -5.287 2.063 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.146 -4.661 1.388 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.242 -4.273 2.973 1.00 0.00 C ATOM 852 CD1 ILE A 38 103.800 -3.564 0.404 1.00 0.00 C ATOM 0 H ILE A 38 103.854 -7.513 1.081 1.00 0.00 H new ATOM 0 HA ILE A 38 103.937 -6.249 3.723 1.00 0.00 H new ATOM 0 HB ILE A 38 102.217 -5.588 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 38 104.806 -4.255 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 38 104.703 -5.441 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 38 101.960 -3.395 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.350 -4.720 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 38 102.928 -3.978 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 38 104.715 -3.167 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 38 103.165 -3.969 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.270 -2.765 0.922 1.00 0.00 H new ATOM 864 N ASP A 39 101.767 -7.071 4.648 1.00 0.00 N ATOM 865 CA ASP A 39 100.504 -7.530 5.216 1.00 0.00 C ATOM 866 C ASP A 39 99.575 -6.340 5.405 1.00 0.00 C ATOM 867 O ASP A 39 99.908 -5.389 6.117 1.00 0.00 O ATOM 868 CB ASP A 39 100.716 -8.241 6.558 1.00 0.00 C ATOM 869 CG ASP A 39 99.409 -8.668 7.205 1.00 0.00 C ATOM 870 OD1 ASP A 39 98.640 -9.420 6.570 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.157 -8.283 8.366 1.00 0.00 O ATOM 0 H ASP A 39 102.389 -6.621 5.320 1.00 0.00 H new ATOM 0 HA ASP A 39 100.059 -8.246 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.345 -9.118 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 39 101.253 -7.578 7.236 1.00 0.00 H new ATOM 876 N TYR A 40 98.426 -6.388 4.758 1.00 0.00 N ATOM 877 CA TYR A 40 97.485 -5.283 4.790 1.00 0.00 C ATOM 878 C TYR A 40 96.385 -5.550 5.809 1.00 0.00 C ATOM 879 O TYR A 40 95.723 -6.589 5.762 1.00 0.00 O ATOM 880 CB TYR A 40 96.866 -5.076 3.408 1.00 0.00 C ATOM 881 CG TYR A 40 97.878 -4.877 2.298 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.380 -5.962 1.589 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.319 -3.607 1.951 1.00 0.00 C ATOM 884 CE1 TYR A 40 99.295 -5.786 0.569 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.232 -3.424 0.930 1.00 0.00 C ATOM 886 CZ TYR A 40 99.716 -4.516 0.241 1.00 0.00 C ATOM 887 OH TYR A 40 100.626 -4.339 -0.778 1.00 0.00 O ATOM 0 H TYR A 40 98.120 -7.185 4.200 1.00 0.00 H new ATOM 0 HA TYR A 40 98.024 -4.381 5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.245 -5.939 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.207 -4.208 3.444 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.049 -6.959 1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.943 -2.749 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 40 99.679 -6.640 0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.565 -2.429 0.673 1.00 0.00 H new ATOM 0 HH TYR A 40 100.517 -5.052 -1.442 1.00 0.00 H new ATOM 897 N ARG A 41 96.201 -4.616 6.733 1.00 0.00 N ATOM 898 CA ARG A 41 95.164 -4.733 7.748 1.00 0.00 C ATOM 899 C ARG A 41 94.285 -3.487 7.754 1.00 0.00 C ATOM 900 O ARG A 41 94.776 -2.367 7.602 1.00 0.00 O ATOM 901 CB ARG A 41 95.789 -4.936 9.132 1.00 0.00 C ATOM 902 CG ARG A 41 96.643 -6.187 9.241 1.00 0.00 C ATOM 903 CD ARG A 41 97.242 -6.337 10.629 1.00 0.00 C ATOM 904 NE ARG A 41 98.071 -7.536 10.738 1.00 0.00 N ATOM 905 CZ ARG A 41 98.401 -8.117 11.892 1.00 0.00 C ATOM 906 NH1 ARG A 41 97.996 -7.592 13.044 1.00 0.00 N ATOM 907 NH2 ARG A 41 99.135 -9.222 11.901 1.00 0.00 N ATOM 0 H ARG A 41 96.760 -3.765 6.800 1.00 0.00 H new ATOM 0 HA ARG A 41 94.548 -5.600 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.401 -4.067 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 41 94.994 -4.984 9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 41 96.037 -7.063 9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.443 -6.148 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 41 97.843 -5.458 10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.441 -6.381 11.367 1.00 0.00 H new ATOM 0 HE ARG A 41 98.419 -7.955 9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 41 97.431 -6.743 13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 41 98.250 -8.039 13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 41 99.450 -9.632 11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 41 99.384 -9.662 12.787 1.00 0.00 H new ATOM 921 N MET A 42 92.985 -3.687 7.918 1.00 0.00 N ATOM 922 CA MET A 42 92.036 -2.580 7.957 1.00 0.00 C ATOM 923 C MET A 42 91.262 -2.611 9.270 1.00 0.00 C ATOM 924 O MET A 42 90.996 -3.686 9.811 1.00 0.00 O ATOM 925 CB MET A 42 91.056 -2.664 6.779 1.00 0.00 C ATOM 926 CG MET A 42 91.725 -2.811 5.423 1.00 0.00 C ATOM 927 SD MET A 42 90.532 -2.959 4.078 1.00 0.00 S ATOM 928 CE MET A 42 89.617 -1.430 4.258 1.00 0.00 C ATOM 0 H MET A 42 92.561 -4.608 8.027 1.00 0.00 H new ATOM 0 HA MET A 42 92.592 -1.645 7.882 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.388 -3.511 6.936 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.437 -1.767 6.771 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.367 -1.948 5.242 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.369 -3.691 5.432 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.978 -1.284 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.001 -1.478 5.156 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.314 -0.596 4.341 1.00 0.00 H new ATOM 938 N GLY A 43 90.920 -1.442 9.791 1.00 0.00 N ATOM 939 CA GLY A 43 90.146 -1.384 11.015 1.00 0.00 C ATOM 940 C GLY A 43 89.563 -0.009 11.260 1.00 0.00 C ATOM 941 O GLY A 43 89.789 0.912 10.480 1.00 0.00 O ATOM 0 H GLY A 43 91.163 -0.536 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.339 -2.115 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.780 -1.663 11.857 1.00 0.00 H new ATOM 945 N PHE A 44 88.809 0.127 12.337 1.00 0.00 N ATOM 946 CA PHE A 44 88.228 1.407 12.709 1.00 0.00 C ATOM 947 C PHE A 44 88.894 1.928 13.969 1.00 0.00 C ATOM 948 O PHE A 44 89.096 1.178 14.926 1.00 0.00 O ATOM 949 CB PHE A 44 86.719 1.276 12.933 1.00 0.00 C ATOM 950 CG PHE A 44 85.955 0.871 11.706 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.572 1.819 10.771 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.616 -0.455 11.488 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.866 1.452 9.641 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.912 -0.829 10.360 1.00 0.00 C ATOM 955 CZ PHE A 44 84.536 0.126 9.436 1.00 0.00 C ATOM 0 H PHE A 44 88.583 -0.638 12.973 1.00 0.00 H new ATOM 0 HA PHE A 44 88.394 2.111 11.894 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.541 0.542 13.719 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.331 2.229 13.293 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.828 2.857 10.927 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.906 -1.205 12.209 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.573 2.200 8.920 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.656 -1.866 10.201 1.00 0.00 H new ATOM 0 HZ PHE A 44 83.984 -0.163 8.554 1.00 0.00 H new ATOM 965 N ASP A 45 89.239 3.206 13.974 1.00 0.00 N ATOM 966 CA ASP A 45 89.911 3.802 15.121 1.00 0.00 C ATOM 967 C ASP A 45 89.657 5.306 15.160 1.00 0.00 C ATOM 968 O ASP A 45 88.911 5.834 14.330 1.00 0.00 O ATOM 969 CB ASP A 45 91.413 3.502 15.057 1.00 0.00 C ATOM 970 CG ASP A 45 92.114 3.665 16.392 1.00 0.00 C ATOM 971 OD1 ASP A 45 91.427 3.898 17.413 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.354 3.555 16.429 1.00 0.00 O ATOM 0 H ASP A 45 89.066 3.849 13.201 1.00 0.00 H new ATOM 0 HA ASP A 45 89.510 3.368 16.037 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.558 2.482 14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.878 4.164 14.327 1.00 0.00 H new ATOM 977 N ASP A 46 90.264 5.988 16.122 1.00 0.00 N ATOM 978 CA ASP A 46 90.064 7.422 16.292 1.00 0.00 C ATOM 979 C ASP A 46 91.060 8.204 15.433 1.00 0.00 C ATOM 980 O ASP A 46 91.896 7.612 14.744 1.00 0.00 O ATOM 981 CB ASP A 46 90.193 7.802 17.774 1.00 0.00 C ATOM 982 CG ASP A 46 89.685 9.201 18.066 1.00 0.00 C ATOM 983 OD1 ASP A 46 88.585 9.553 17.585 1.00 0.00 O ATOM 984 OD2 ASP A 46 90.380 9.953 18.776 1.00 0.00 O ATOM 0 H ASP A 46 90.902 5.570 16.799 1.00 0.00 H new ATOM 0 HA ASP A 46 89.058 7.682 15.961 1.00 0.00 H new ATOM 0 HB2 ASP A 46 89.638 7.085 18.378 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.238 7.730 18.074 1.00 0.00 H new ATOM 989 N LEU A 47 90.972 9.526 15.476 1.00 0.00 N ATOM 990 CA LEU A 47 91.751 10.376 14.588 1.00 0.00 C ATOM 991 C LEU A 47 92.831 11.146 15.327 1.00 0.00 C ATOM 992 O LEU A 47 92.614 11.652 16.430 1.00 0.00 O ATOM 993 CB LEU A 47 90.830 11.374 13.886 1.00 0.00 C ATOM 994 CG LEU A 47 89.803 10.754 12.949 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.878 11.822 12.384 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.508 10.013 11.831 1.00 0.00 C ATOM 0 H LEU A 47 90.366 10.035 16.120 1.00 0.00 H new ATOM 0 HA LEU A 47 92.236 9.722 13.863 1.00 0.00 H new ATOM 0 HB2 LEU A 47 90.304 11.955 14.644 1.00 0.00 H new ATOM 0 HB3 LEU A 47 91.443 12.073 13.317 1.00 0.00 H new ATOM 0 HG LEU A 47 89.195 10.046 13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.151 11.358 11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.355 12.319 13.201 1.00 0.00 H new ATOM 0 HD13 LEU A 47 89.464 12.555 11.829 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.768 9.571 11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 47 91.133 10.709 11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.132 9.225 12.253 1.00 0.00 H new ATOM 1008 N THR A 48 93.995 11.232 14.709 1.00 0.00 N ATOM 1009 CA THR A 48 95.026 12.147 15.151 1.00 0.00 C ATOM 1010 C THR A 48 95.273 13.154 14.034 1.00 0.00 C ATOM 1011 O THR A 48 95.160 12.810 12.855 1.00 0.00 O ATOM 1012 CB THR A 48 96.345 11.423 15.523 1.00 0.00 C ATOM 1013 OG1 THR A 48 96.958 10.850 14.363 1.00 0.00 O ATOM 1014 CG2 THR A 48 96.090 10.327 16.549 1.00 0.00 C ATOM 0 H THR A 48 94.249 10.674 13.894 1.00 0.00 H new ATOM 0 HA THR A 48 94.684 12.645 16.058 1.00 0.00 H new ATOM 0 HB THR A 48 97.017 12.166 15.952 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.408 10.108 14.035 1.00 0.00 H new ATOM 0 HG21 THR A 48 97.030 9.833 16.795 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.664 10.765 17.451 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.393 9.597 16.136 1.00 0.00 H new ATOM 1022 N GLU A 49 95.593 14.392 14.380 1.00 0.00 N ATOM 1023 CA GLU A 49 95.743 15.436 13.368 1.00 0.00 C ATOM 1024 C GLU A 49 97.082 15.298 12.635 1.00 0.00 C ATOM 1025 O GLU A 49 97.482 16.169 11.858 1.00 0.00 O ATOM 1026 CB GLU A 49 95.613 16.820 14.010 1.00 0.00 C ATOM 1027 CG GLU A 49 95.351 17.934 13.008 1.00 0.00 C ATOM 1028 CD GLU A 49 95.256 19.291 13.662 1.00 0.00 C ATOM 1029 OE1 GLU A 49 96.312 19.868 13.995 1.00 0.00 O ATOM 1030 OE2 GLU A 49 94.129 19.796 13.838 1.00 0.00 O ATOM 0 H GLU A 49 95.753 14.699 15.339 1.00 0.00 H new ATOM 0 HA GLU A 49 94.947 15.320 12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 49 94.802 16.799 14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 96.528 17.044 14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 49 96.150 17.947 12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 49 94.424 17.726 12.473 1.00 0.00 H new ATOM 1037 N ASP A 50 97.762 14.186 12.874 1.00 0.00 N ATOM 1038 CA ASP A 50 99.020 13.895 12.208 1.00 0.00 C ATOM 1039 C ASP A 50 98.806 12.829 11.132 1.00 0.00 C ATOM 1040 O ASP A 50 99.729 12.462 10.405 1.00 0.00 O ATOM 1041 CB ASP A 50 100.064 13.431 13.231 1.00 0.00 C ATOM 1042 CG ASP A 50 101.467 13.375 12.656 1.00 0.00 C ATOM 1043 OD1 ASP A 50 102.060 14.447 12.423 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.992 12.262 12.453 1.00 0.00 O ATOM 0 H ASP A 50 97.459 13.466 13.530 1.00 0.00 H new ATOM 0 HA ASP A 50 99.389 14.802 11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 50 100.054 14.107 14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.789 12.444 13.602 1.00 0.00 H new ATOM 1049 N ASP A 51 97.569 12.346 11.025 1.00 0.00 N ATOM 1050 CA ASP A 51 97.229 11.326 10.036 1.00 0.00 C ATOM 1051 C ASP A 51 96.946 11.956 8.682 1.00 0.00 C ATOM 1052 O ASP A 51 96.604 13.138 8.589 1.00 0.00 O ATOM 1053 CB ASP A 51 96.001 10.514 10.465 1.00 0.00 C ATOM 1054 CG ASP A 51 96.237 9.686 11.709 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.276 9.001 11.789 1.00 0.00 O ATOM 1056 OD2 ASP A 51 95.383 9.718 12.624 1.00 0.00 O ATOM 0 H ASP A 51 96.788 12.644 11.610 1.00 0.00 H new ATOM 0 HA ASP A 51 98.089 10.661 9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.168 11.194 10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.706 9.855 9.648 1.00 0.00 H new ATOM 1061 N ILE A 52 97.089 11.164 7.632 1.00 0.00 N ATOM 1062 CA ILE A 52 96.762 11.613 6.291 1.00 0.00 C ATOM 1063 C ILE A 52 95.368 11.123 5.908 1.00 0.00 C ATOM 1064 O ILE A 52 95.117 9.919 5.840 1.00 0.00 O ATOM 1065 CB ILE A 52 97.806 11.121 5.266 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.191 11.671 5.626 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.415 11.540 3.857 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.281 11.290 4.646 1.00 0.00 C ATOM 0 H ILE A 52 97.431 10.204 7.684 1.00 0.00 H new ATOM 0 HA ILE A 52 96.775 12.703 6.281 1.00 0.00 H new ATOM 0 HB ILE A 52 97.840 10.032 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.134 12.758 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.467 11.311 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 52 98.164 11.183 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.445 11.110 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.355 12.627 3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.229 11.718 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.368 10.204 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 52 100.031 11.673 3.657 1.00 0.00 H new ATOM 1080 N ARG A 53 94.462 12.066 5.681 1.00 0.00 N ATOM 1081 CA ARG A 53 93.063 11.745 5.423 1.00 0.00 C ATOM 1082 C ARG A 53 92.807 11.560 3.930 1.00 0.00 C ATOM 1083 O ARG A 53 93.272 12.346 3.101 1.00 0.00 O ATOM 1084 CB ARG A 53 92.163 12.851 5.982 1.00 0.00 C ATOM 1085 CG ARG A 53 92.371 13.102 7.470 1.00 0.00 C ATOM 1086 CD ARG A 53 91.624 14.335 7.953 1.00 0.00 C ATOM 1087 NE ARG A 53 90.175 14.138 8.014 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.299 15.123 8.210 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.713 16.383 8.278 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.008 14.850 8.309 1.00 0.00 N ATOM 0 H ARG A 53 94.672 13.064 5.670 1.00 0.00 H new ATOM 0 HA ARG A 53 92.830 10.805 5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.352 13.775 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.121 12.584 5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.036 12.232 8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.436 13.222 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 53 91.990 14.610 8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.844 15.170 7.288 1.00 0.00 H new ATOM 0 HE ARG A 53 89.814 13.191 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.705 16.600 8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.039 17.134 8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.684 13.886 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.337 15.604 8.459 1.00 0.00 H new ATOM 1104 N LEU A 54 92.070 10.513 3.602 1.00 0.00 N ATOM 1105 CA LEU A 54 91.744 10.192 2.222 1.00 0.00 C ATOM 1106 C LEU A 54 90.264 9.849 2.091 1.00 0.00 C ATOM 1107 O LEU A 54 89.760 8.968 2.779 1.00 0.00 O ATOM 1108 CB LEU A 54 92.592 9.010 1.744 1.00 0.00 C ATOM 1109 CG LEU A 54 92.290 8.517 0.328 1.00 0.00 C ATOM 1110 CD1 LEU A 54 92.663 9.573 -0.700 1.00 0.00 C ATOM 1111 CD2 LEU A 54 93.023 7.217 0.050 1.00 0.00 C ATOM 0 H LEU A 54 91.681 9.862 4.284 1.00 0.00 H new ATOM 0 HA LEU A 54 91.960 11.063 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 54 93.643 9.294 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.452 8.180 2.437 1.00 0.00 H new ATOM 0 HG LEU A 54 91.219 8.331 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.440 9.202 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 54 92.089 10.481 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.728 9.795 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.797 6.881 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.097 7.377 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.703 6.459 0.764 1.00 0.00 H new ATOM 1123 N THR A 55 89.566 10.555 1.224 1.00 0.00 N ATOM 1124 CA THR A 55 88.165 10.271 0.970 1.00 0.00 C ATOM 1125 C THR A 55 87.989 9.672 -0.424 1.00 0.00 C ATOM 1126 O THR A 55 88.332 10.301 -1.427 1.00 0.00 O ATOM 1127 CB THR A 55 87.313 11.545 1.109 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.630 12.196 2.347 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.829 11.213 1.078 1.00 0.00 C ATOM 0 H THR A 55 89.946 11.331 0.682 1.00 0.00 H new ATOM 0 HA THR A 55 87.826 9.548 1.712 1.00 0.00 H new ATOM 0 HB THR A 55 87.537 12.205 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.090 13.009 2.437 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.249 12.130 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.584 10.730 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.589 10.541 1.902 1.00 0.00 H new ATOM 1137 N SER A 56 87.477 8.450 -0.481 1.00 0.00 N ATOM 1138 CA SER A 56 87.318 7.755 -1.747 1.00 0.00 C ATOM 1139 C SER A 56 85.875 7.825 -2.247 1.00 0.00 C ATOM 1140 O SER A 56 85.517 8.704 -3.032 1.00 0.00 O ATOM 1141 CB SER A 56 87.766 6.299 -1.591 1.00 0.00 C ATOM 1142 OG SER A 56 87.192 5.712 -0.429 1.00 0.00 O ATOM 0 H SER A 56 87.166 7.922 0.334 1.00 0.00 H new ATOM 0 HA SER A 56 87.943 8.247 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 56 87.475 5.728 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 56 88.853 6.254 -1.527 1.00 0.00 H new ATOM 0 HG SER A 56 87.610 4.842 -0.261 1.00 0.00 H new ATOM 1148 N GLU A 57 85.047 6.912 -1.764 1.00 0.00 N ATOM 1149 CA GLU A 57 83.661 6.818 -2.203 1.00 0.00 C ATOM 1150 C GLU A 57 82.718 7.424 -1.173 1.00 0.00 C ATOM 1151 O GLU A 57 81.534 7.095 -1.133 1.00 0.00 O ATOM 1152 CB GLU A 57 83.288 5.357 -2.454 1.00 0.00 C ATOM 1153 CG GLU A 57 84.094 4.712 -3.566 1.00 0.00 C ATOM 1154 CD GLU A 57 84.031 5.509 -4.851 1.00 0.00 C ATOM 1155 OE1 GLU A 57 82.935 5.601 -5.445 1.00 0.00 O ATOM 1156 OE2 GLU A 57 85.075 6.054 -5.270 1.00 0.00 O ATOM 0 H GLU A 57 85.312 6.220 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 57 83.561 7.381 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.432 4.790 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.228 5.298 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 57 85.133 4.615 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.720 3.704 -3.746 1.00 0.00 H new ATOM 1163 N GLY A 58 83.247 8.318 -0.356 1.00 0.00 N ATOM 1164 CA GLY A 58 82.454 8.925 0.693 1.00 0.00 C ATOM 1165 C GLY A 58 82.958 8.527 2.061 1.00 0.00 C ATOM 1166 O GLY A 58 82.854 9.292 3.022 1.00 0.00 O ATOM 0 H GLY A 58 84.215 8.636 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 58 82.484 10.010 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.412 8.624 0.585 1.00 0.00 H new ATOM 1170 N VAL A 59 83.512 7.326 2.139 1.00 0.00 N ATOM 1171 CA VAL A 59 84.105 6.833 3.368 1.00 0.00 C ATOM 1172 C VAL A 59 85.440 7.524 3.601 1.00 0.00 C ATOM 1173 O VAL A 59 86.268 7.612 2.690 1.00 0.00 O ATOM 1174 CB VAL A 59 84.321 5.303 3.320 1.00 0.00 C ATOM 1175 CG1 VAL A 59 84.897 4.793 4.634 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.019 4.588 2.991 1.00 0.00 C ATOM 0 H VAL A 59 83.562 6.672 1.358 1.00 0.00 H new ATOM 0 HA VAL A 59 83.419 7.054 4.186 1.00 0.00 H new ATOM 0 HB VAL A 59 85.040 5.088 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.040 3.714 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 59 85.856 5.276 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.208 5.024 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.192 3.512 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.276 4.815 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 59 82.655 4.923 2.020 1.00 0.00 H new ATOM 1186 N GLU A 60 85.637 8.032 4.807 1.00 0.00 N ATOM 1187 CA GLU A 60 86.870 8.717 5.140 1.00 0.00 C ATOM 1188 C GLU A 60 87.901 7.723 5.658 1.00 0.00 C ATOM 1189 O GLU A 60 87.654 6.992 6.621 1.00 0.00 O ATOM 1190 CB GLU A 60 86.619 9.817 6.171 1.00 0.00 C ATOM 1191 CG GLU A 60 87.809 10.741 6.371 1.00 0.00 C ATOM 1192 CD GLU A 60 87.487 11.913 7.270 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.563 12.682 6.942 1.00 0.00 O ATOM 1194 OE2 GLU A 60 88.162 12.085 8.303 1.00 0.00 O ATOM 0 H GLU A 60 84.959 7.982 5.568 1.00 0.00 H new ATOM 0 HA GLU A 60 87.259 9.184 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.758 10.408 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.361 9.358 7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.636 10.175 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.144 11.112 5.402 1.00 0.00 H new ATOM 1201 N ILE A 61 89.035 7.692 4.989 1.00 0.00 N ATOM 1202 CA ILE A 61 90.133 6.814 5.336 1.00 0.00 C ATOM 1203 C ILE A 61 91.266 7.633 5.940 1.00 0.00 C ATOM 1204 O ILE A 61 91.542 8.739 5.480 1.00 0.00 O ATOM 1205 CB ILE A 61 90.651 6.087 4.074 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.519 5.298 3.413 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.823 5.176 4.406 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.891 4.712 2.068 1.00 0.00 C ATOM 0 H ILE A 61 89.222 8.283 4.179 1.00 0.00 H new ATOM 0 HA ILE A 61 89.782 6.077 6.058 1.00 0.00 H new ATOM 0 HB ILE A 61 91.007 6.839 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.213 4.491 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.656 5.953 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.166 4.678 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.637 5.768 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.508 4.428 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.040 4.167 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.168 5.515 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.734 4.031 2.188 1.00 0.00 H new ATOM 1220 N VAL A 62 91.905 7.118 6.973 1.00 0.00 N ATOM 1221 CA VAL A 62 93.056 7.794 7.549 1.00 0.00 C ATOM 1222 C VAL A 62 94.252 6.865 7.625 1.00 0.00 C ATOM 1223 O VAL A 62 94.189 5.777 8.203 1.00 0.00 O ATOM 1224 CB VAL A 62 92.765 8.392 8.939 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.867 9.609 8.804 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.135 7.357 9.863 1.00 0.00 C ATOM 0 H VAL A 62 91.651 6.241 7.429 1.00 0.00 H new ATOM 0 HA VAL A 62 93.287 8.623 6.880 1.00 0.00 H new ATOM 0 HB VAL A 62 93.711 8.700 9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.667 10.025 9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.362 10.360 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.927 9.317 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.941 7.808 10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.197 7.007 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.816 6.514 9.983 1.00 0.00 H new ATOM 1236 N ILE A 63 95.336 7.294 7.011 1.00 0.00 N ATOM 1237 CA ILE A 63 96.561 6.525 7.004 1.00 0.00 C ATOM 1238 C ILE A 63 97.694 7.356 7.584 1.00 0.00 C ATOM 1239 O ILE A 63 98.047 8.405 7.041 1.00 0.00 O ATOM 1240 CB ILE A 63 96.937 6.068 5.577 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.765 5.319 4.932 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.177 5.185 5.615 1.00 0.00 C ATOM 1243 CD1 ILE A 63 96.008 4.927 3.490 1.00 0.00 C ATOM 0 H ILE A 63 95.392 8.179 6.507 1.00 0.00 H new ATOM 0 HA ILE A 63 96.400 5.636 7.614 1.00 0.00 H new ATOM 0 HB ILE A 63 97.158 6.949 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.557 4.420 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.874 5.945 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.431 4.870 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.010 5.745 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.979 4.307 6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.135 4.402 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.186 5.823 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.879 4.274 3.432 1.00 0.00 H new ATOM 1255 N ALA A 64 98.233 6.907 8.707 1.00 0.00 N ATOM 1256 CA ALA A 64 99.388 7.554 9.302 1.00 0.00 C ATOM 1257 C ALA A 64 100.576 7.448 8.355 1.00 0.00 C ATOM 1258 O ALA A 64 100.781 6.402 7.733 1.00 0.00 O ATOM 1259 CB ALA A 64 99.717 6.928 10.649 1.00 0.00 C ATOM 0 H ALA A 64 97.888 6.098 9.223 1.00 0.00 H new ATOM 0 HA ALA A 64 99.160 8.607 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.586 7.426 11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 64 98.865 7.040 11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 64 99.936 5.869 10.514 1.00 0.00 H new ATOM 1265 N PRO A 65 101.364 8.528 8.224 1.00 0.00 N ATOM 1266 CA PRO A 65 102.514 8.581 7.306 1.00 0.00 C ATOM 1267 C PRO A 65 103.455 7.382 7.448 1.00 0.00 C ATOM 1268 O PRO A 65 104.136 7.002 6.494 1.00 0.00 O ATOM 1269 CB PRO A 65 103.221 9.874 7.707 1.00 0.00 C ATOM 1270 CG PRO A 65 102.137 10.734 8.255 1.00 0.00 C ATOM 1271 CD PRO A 65 101.186 9.801 8.950 1.00 0.00 C ATOM 0 HA PRO A 65 102.198 8.552 6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 65 103.996 9.689 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.706 10.343 6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.537 11.473 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.634 11.284 7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.426 9.697 10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.158 10.157 8.890 1.00 0.00 H new ATOM 1279 N ASP A 66 103.471 6.782 8.631 1.00 0.00 N ATOM 1280 CA ASP A 66 104.300 5.607 8.893 1.00 0.00 C ATOM 1281 C ASP A 66 103.838 4.406 8.065 1.00 0.00 C ATOM 1282 O ASP A 66 104.656 3.616 7.593 1.00 0.00 O ATOM 1283 CB ASP A 66 104.261 5.254 10.381 1.00 0.00 C ATOM 1284 CG ASP A 66 105.173 4.091 10.726 1.00 0.00 C ATOM 1285 OD1 ASP A 66 106.393 4.317 10.895 1.00 0.00 O ATOM 1286 OD2 ASP A 66 104.677 2.953 10.842 1.00 0.00 O ATOM 0 H ASP A 66 102.917 7.090 9.430 1.00 0.00 H new ATOM 0 HA ASP A 66 105.323 5.849 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 66 104.553 6.126 10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 66 103.238 5.007 10.666 1.00 0.00 H new ATOM 1291 N TYR A 67 102.528 4.287 7.871 1.00 0.00 N ATOM 1292 CA TYR A 67 101.957 3.157 7.142 1.00 0.00 C ATOM 1293 C TYR A 67 101.871 3.456 5.646 1.00 0.00 C ATOM 1294 O TYR A 67 101.804 2.541 4.827 1.00 0.00 O ATOM 1295 CB TYR A 67 100.553 2.827 7.658 1.00 0.00 C ATOM 1296 CG TYR A 67 100.468 2.539 9.141 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.078 1.419 9.694 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.751 3.377 9.983 1.00 0.00 C ATOM 1299 CE1 TYR A 67 100.975 1.146 11.046 1.00 0.00 C ATOM 1300 CE2 TYR A 67 99.647 3.115 11.334 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.259 1.999 11.862 1.00 0.00 C ATOM 1302 OH TYR A 67 100.144 1.731 13.206 1.00 0.00 O ATOM 0 H TYR A 67 101.840 4.960 8.209 1.00 0.00 H new ATOM 0 HA TYR A 67 102.616 2.304 7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.892 3.662 7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.176 1.962 7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.641 0.752 9.058 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.265 4.250 9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.452 0.270 11.461 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.089 3.782 11.974 1.00 0.00 H new ATOM 0 HH TYR A 67 99.609 2.431 13.635 1.00 0.00 H new ATOM 1312 N VAL A 68 101.874 4.745 5.307 1.00 0.00 N ATOM 1313 CA VAL A 68 101.701 5.201 3.920 1.00 0.00 C ATOM 1314 C VAL A 68 102.671 4.518 2.953 1.00 0.00 C ATOM 1315 O VAL A 68 102.322 4.246 1.803 1.00 0.00 O ATOM 1316 CB VAL A 68 101.875 6.735 3.819 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.847 7.205 2.371 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.794 7.442 4.616 1.00 0.00 C ATOM 0 H VAL A 68 101.995 5.502 5.979 1.00 0.00 H new ATOM 0 HA VAL A 68 100.687 4.925 3.631 1.00 0.00 H new ATOM 0 HB VAL A 68 102.850 6.986 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.972 8.287 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.657 6.729 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.892 6.936 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.929 8.521 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.815 7.169 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.861 7.145 5.663 1.00 0.00 H new ATOM 1328 N SER A 69 103.869 4.211 3.430 1.00 0.00 N ATOM 1329 CA SER A 69 104.906 3.623 2.591 1.00 0.00 C ATOM 1330 C SER A 69 104.492 2.255 2.036 1.00 0.00 C ATOM 1331 O SER A 69 105.042 1.789 1.037 1.00 0.00 O ATOM 1332 CB SER A 69 106.202 3.507 3.393 1.00 0.00 C ATOM 1333 OG SER A 69 105.941 3.055 4.712 1.00 0.00 O ATOM 0 H SER A 69 104.149 4.360 4.399 1.00 0.00 H new ATOM 0 HA SER A 69 105.061 4.279 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.882 2.816 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.701 4.475 3.428 1.00 0.00 H new ATOM 0 HG SER A 69 106.784 2.986 5.207 1.00 0.00 H new ATOM 1339 N LEU A 70 103.515 1.619 2.674 1.00 0.00 N ATOM 1340 CA LEU A 70 103.057 0.303 2.246 1.00 0.00 C ATOM 1341 C LEU A 70 101.561 0.313 1.934 1.00 0.00 C ATOM 1342 O LEU A 70 100.960 -0.735 1.709 1.00 0.00 O ATOM 1343 CB LEU A 70 103.350 -0.740 3.331 1.00 0.00 C ATOM 1344 CG LEU A 70 104.817 -0.858 3.759 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.962 -1.893 4.865 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.700 -1.221 2.576 1.00 0.00 C ATOM 0 H LEU A 70 103.026 1.993 3.487 1.00 0.00 H new ATOM 0 HA LEU A 70 103.598 0.042 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.752 -0.501 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.015 -1.714 2.973 1.00 0.00 H new ATOM 0 HG LEU A 70 105.140 0.111 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.009 -1.967 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.363 -1.593 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.618 -2.862 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.736 -1.299 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.378 -2.176 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.620 -0.448 1.811 1.00 0.00 H new ATOM 1358 N LEU A 71 100.965 1.501 1.903 1.00 0.00 N ATOM 1359 CA LEU A 71 99.521 1.625 1.704 1.00 0.00 C ATOM 1360 C LEU A 71 99.188 2.629 0.607 1.00 0.00 C ATOM 1361 O LEU A 71 98.137 3.271 0.638 1.00 0.00 O ATOM 1362 CB LEU A 71 98.841 2.043 3.010 1.00 0.00 C ATOM 1363 CG LEU A 71 98.714 0.938 4.058 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.153 1.496 5.354 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.831 -0.186 3.540 1.00 0.00 C ATOM 0 H LEU A 71 101.455 2.389 2.012 1.00 0.00 H new ATOM 0 HA LEU A 71 99.147 0.649 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.401 2.871 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.844 2.419 2.778 1.00 0.00 H new ATOM 0 HG LEU A 71 99.707 0.536 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.069 0.695 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.819 2.270 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.167 1.924 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.751 -0.965 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.839 0.205 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.269 -0.605 2.634 1.00 0.00 H new ATOM 1377 N ASP A 72 100.070 2.752 -0.368 1.00 0.00 N ATOM 1378 CA ASP A 72 99.839 3.659 -1.481 1.00 0.00 C ATOM 1379 C ASP A 72 99.837 2.888 -2.796 1.00 0.00 C ATOM 1380 O ASP A 72 100.581 1.917 -2.950 1.00 0.00 O ATOM 1381 CB ASP A 72 100.898 4.765 -1.507 1.00 0.00 C ATOM 1382 CG ASP A 72 100.617 5.810 -2.570 1.00 0.00 C ATOM 1383 OD1 ASP A 72 99.669 6.605 -2.390 1.00 0.00 O ATOM 1384 OD2 ASP A 72 101.349 5.848 -3.578 1.00 0.00 O ATOM 0 H ASP A 72 100.950 2.238 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 72 98.863 4.127 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 72 100.940 5.247 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 72 101.878 4.322 -1.687 1.00 0.00 H new ATOM 1389 N GLN A 73 98.969 3.312 -3.716 1.00 0.00 N ATOM 1390 CA GLN A 73 98.840 2.696 -5.045 1.00 0.00 C ATOM 1391 C GLN A 73 98.242 1.293 -4.973 1.00 0.00 C ATOM 1392 O GLN A 73 98.230 0.565 -5.968 1.00 0.00 O ATOM 1393 CB GLN A 73 100.186 2.656 -5.768 1.00 0.00 C ATOM 1394 CG GLN A 73 100.718 4.029 -6.134 1.00 0.00 C ATOM 1395 CD GLN A 73 102.060 3.968 -6.826 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.866 3.071 -6.570 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.310 4.918 -7.713 1.00 0.00 N ATOM 0 H GLN A 73 98.332 4.094 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 73 98.153 3.323 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.915 2.150 -5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.084 2.061 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.001 4.531 -6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.806 4.633 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 73 101.615 5.642 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.198 4.926 -8.215 1.00 0.00 H new ATOM 1406 N THR A 74 97.740 0.919 -3.811 1.00 0.00 N ATOM 1407 CA THR A 74 97.098 -0.369 -3.641 1.00 0.00 C ATOM 1408 C THR A 74 95.639 -0.305 -4.068 1.00 0.00 C ATOM 1409 O THR A 74 94.845 0.446 -3.491 1.00 0.00 O ATOM 1410 CB THR A 74 97.187 -0.843 -2.183 1.00 0.00 C ATOM 1411 OG1 THR A 74 96.798 0.221 -1.309 1.00 0.00 O ATOM 1412 CG2 THR A 74 98.598 -1.295 -1.843 1.00 0.00 C ATOM 0 H THR A 74 97.765 1.493 -2.968 1.00 0.00 H new ATOM 0 HA THR A 74 97.624 -1.084 -4.274 1.00 0.00 H new ATOM 0 HB THR A 74 96.515 -1.691 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 74 95.821 0.239 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 74 98.634 -1.626 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 74 98.883 -2.119 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 74 99.290 -0.464 -1.983 1.00 0.00 H new ATOM 1420 N THR A 75 95.295 -1.067 -5.093 1.00 0.00 N ATOM 1421 CA THR A 75 93.925 -1.150 -5.558 1.00 0.00 C ATOM 1422 C THR A 75 93.127 -2.129 -4.696 1.00 0.00 C ATOM 1423 O THR A 75 93.284 -3.346 -4.804 1.00 0.00 O ATOM 1424 CB THR A 75 93.881 -1.587 -7.040 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.655 -0.678 -7.837 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.452 -1.632 -7.557 1.00 0.00 C ATOM 0 H THR A 75 95.953 -1.640 -5.621 1.00 0.00 H new ATOM 0 HA THR A 75 93.474 -0.161 -5.473 1.00 0.00 H new ATOM 0 HB THR A 75 94.302 -2.590 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.626 -0.959 -8.775 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.453 -1.942 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.874 -2.344 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.003 -0.642 -7.473 1.00 0.00 H new ATOM 1434 N LEU A 76 92.297 -1.587 -3.816 1.00 0.00 N ATOM 1435 CA LEU A 76 91.496 -2.391 -2.906 1.00 0.00 C ATOM 1436 C LEU A 76 90.178 -2.804 -3.553 1.00 0.00 C ATOM 1437 O LEU A 76 89.356 -1.955 -3.906 1.00 0.00 O ATOM 1438 CB LEU A 76 91.225 -1.607 -1.619 1.00 0.00 C ATOM 1439 CG LEU A 76 90.232 -2.255 -0.656 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.739 -3.611 -0.195 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.976 -1.353 0.537 1.00 0.00 C ATOM 0 H LEU A 76 92.161 -0.581 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 76 92.055 -3.296 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 76 92.170 -1.461 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.853 -0.618 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 76 89.291 -2.401 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.017 -4.056 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.869 -4.263 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.695 -3.488 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.266 -1.833 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.913 -1.173 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.565 -0.404 0.194 1.00 0.00 H new ATOM 1453 N ASP A 77 89.985 -4.109 -3.700 1.00 0.00 N ATOM 1454 CA ASP A 77 88.755 -4.645 -4.270 1.00 0.00 C ATOM 1455 C ASP A 77 88.011 -5.506 -3.258 1.00 0.00 C ATOM 1456 O ASP A 77 88.550 -5.858 -2.207 1.00 0.00 O ATOM 1457 CB ASP A 77 89.034 -5.454 -5.539 1.00 0.00 C ATOM 1458 CG ASP A 77 88.953 -4.612 -6.795 1.00 0.00 C ATOM 1459 OD1 ASP A 77 87.855 -4.090 -7.091 1.00 0.00 O ATOM 1460 OD2 ASP A 77 89.974 -4.476 -7.500 1.00 0.00 O ATOM 0 H ASP A 77 90.667 -4.818 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 77 88.126 -3.795 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 77 90.025 -5.902 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.318 -6.273 -5.608 1.00 0.00 H new ATOM 1465 N TYR A 78 86.777 -5.849 -3.593 1.00 0.00 N ATOM 1466 CA TYR A 78 85.894 -6.566 -2.682 1.00 0.00 C ATOM 1467 C TYR A 78 85.467 -7.900 -3.286 1.00 0.00 C ATOM 1468 O TYR A 78 84.641 -7.941 -4.198 1.00 0.00 O ATOM 1469 CB TYR A 78 84.672 -5.692 -2.379 1.00 0.00 C ATOM 1470 CG TYR A 78 83.605 -6.348 -1.530 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.817 -6.605 -0.182 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.375 -6.694 -2.079 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.834 -7.187 0.593 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.387 -7.273 -1.308 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.620 -7.518 0.026 1.00 0.00 C ATOM 1476 OH TYR A 78 80.635 -8.090 0.799 1.00 0.00 O ATOM 0 H TYR A 78 86.359 -5.640 -4.500 1.00 0.00 H new ATOM 0 HA TYR A 78 86.425 -6.778 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.009 -4.786 -1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 78 84.223 -5.383 -3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.765 -6.346 0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.190 -6.507 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 78 83.014 -7.383 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.436 -7.532 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 78 80.536 -7.582 1.631 1.00 0.00 H new ATOM 1486 N VAL A 79 86.045 -8.986 -2.786 1.00 0.00 N ATOM 1487 CA VAL A 79 85.726 -10.323 -3.275 1.00 0.00 C ATOM 1488 C VAL A 79 85.625 -11.317 -2.121 1.00 0.00 C ATOM 1489 O VAL A 79 85.904 -10.979 -0.970 1.00 0.00 O ATOM 1490 CB VAL A 79 86.782 -10.838 -4.280 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.711 -10.078 -5.596 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.176 -10.730 -3.692 1.00 0.00 C ATOM 0 H VAL A 79 86.740 -8.967 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 79 84.765 -10.245 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 79 86.562 -11.887 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.466 -10.464 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.722 -10.206 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 79 86.893 -9.019 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.905 -11.097 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.392 -9.688 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.234 -11.327 -2.782 1.00 0.00 H new ATOM 1502 N GLU A 80 85.228 -12.542 -2.437 1.00 0.00 N ATOM 1503 CA GLU A 80 85.126 -13.595 -1.438 1.00 0.00 C ATOM 1504 C GLU A 80 86.320 -14.540 -1.541 1.00 0.00 C ATOM 1505 O GLU A 80 86.455 -15.284 -2.512 1.00 0.00 O ATOM 1506 CB GLU A 80 83.820 -14.377 -1.613 1.00 0.00 C ATOM 1507 CG GLU A 80 83.654 -15.503 -0.608 1.00 0.00 C ATOM 1508 CD GLU A 80 82.411 -16.336 -0.843 1.00 0.00 C ATOM 1509 OE1 GLU A 80 82.334 -17.013 -1.891 1.00 0.00 O ATOM 1510 OE2 GLU A 80 81.509 -16.326 0.017 1.00 0.00 O ATOM 0 H GLU A 80 84.971 -12.831 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 80 85.126 -13.133 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.979 -13.690 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.785 -14.791 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 80 84.530 -16.150 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 80 83.616 -15.082 0.397 1.00 0.00 H new ATOM 1517 N LEU A 81 87.203 -14.479 -0.554 1.00 0.00 N ATOM 1518 CA LEU A 81 88.359 -15.370 -0.502 1.00 0.00 C ATOM 1519 C LEU A 81 88.041 -16.624 0.299 1.00 0.00 C ATOM 1520 O LEU A 81 88.715 -17.644 0.165 1.00 0.00 O ATOM 1521 CB LEU A 81 89.565 -14.666 0.131 1.00 0.00 C ATOM 1522 CG LEU A 81 90.304 -13.659 -0.756 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.878 -14.344 -1.986 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.394 -12.515 -1.162 1.00 0.00 C ATOM 0 H LEU A 81 87.143 -13.822 0.224 1.00 0.00 H new ATOM 0 HA LEU A 81 88.602 -15.648 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 81 89.227 -14.148 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.277 -15.427 0.451 1.00 0.00 H new ATOM 0 HG LEU A 81 91.128 -13.245 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.398 -13.610 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.578 -15.120 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.070 -14.793 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.946 -11.816 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.542 -12.907 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.039 -11.998 -0.270 1.00 0.00 H new ATOM 1536 N GLU A 82 87.022 -16.536 1.138 1.00 0.00 N ATOM 1537 CA GLU A 82 86.645 -17.638 2.004 1.00 0.00 C ATOM 1538 C GLU A 82 85.137 -17.839 1.960 1.00 0.00 C ATOM 1539 O GLU A 82 84.387 -16.870 1.949 1.00 0.00 O ATOM 1540 CB GLU A 82 87.104 -17.359 3.437 1.00 0.00 C ATOM 1541 CG GLU A 82 88.614 -17.265 3.583 1.00 0.00 C ATOM 1542 CD GLU A 82 89.048 -16.835 4.967 1.00 0.00 C ATOM 1543 OE1 GLU A 82 88.934 -17.645 5.911 1.00 0.00 O ATOM 1544 OE2 GLU A 82 89.507 -15.684 5.118 1.00 0.00 O ATOM 0 H GLU A 82 86.438 -15.706 1.237 1.00 0.00 H new ATOM 0 HA GLU A 82 87.130 -18.549 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 82 86.655 -16.426 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 82 86.732 -18.149 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 82 89.057 -18.234 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 82 89.001 -16.557 2.850 1.00 0.00 H new ATOM 1551 N PRO A 83 84.678 -19.098 1.930 1.00 0.00 N ATOM 1552 CA PRO A 83 83.249 -19.420 1.826 1.00 0.00 C ATOM 1553 C PRO A 83 82.410 -18.727 2.896 1.00 0.00 C ATOM 1554 O PRO A 83 82.514 -19.040 4.085 1.00 0.00 O ATOM 1555 CB PRO A 83 83.207 -20.938 2.018 1.00 0.00 C ATOM 1556 CG PRO A 83 84.565 -21.412 1.630 1.00 0.00 C ATOM 1557 CD PRO A 83 85.515 -20.309 1.999 1.00 0.00 C ATOM 0 HA PRO A 83 82.831 -19.083 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 83 82.978 -21.199 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 83 82.437 -21.394 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 83 84.819 -22.335 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 83 84.612 -21.626 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 83 85.930 -20.454 2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 83 86.356 -20.256 1.308 1.00 0.00 H new ATOM 1565 N GLY A 84 81.601 -17.761 2.473 1.00 0.00 N ATOM 1566 CA GLY A 84 80.728 -17.066 3.396 1.00 0.00 C ATOM 1567 C GLY A 84 81.438 -15.949 4.136 1.00 0.00 C ATOM 1568 O GLY A 84 80.903 -15.390 5.092 1.00 0.00 O ATOM 0 H GLY A 84 81.536 -17.448 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.880 -16.654 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.326 -17.778 4.117 1.00 0.00 H new ATOM 1572 N GLN A 85 82.645 -15.625 3.696 1.00 0.00 N ATOM 1573 CA GLN A 85 83.423 -14.568 4.318 1.00 0.00 C ATOM 1574 C GLN A 85 84.186 -13.779 3.263 1.00 0.00 C ATOM 1575 O GLN A 85 85.162 -14.262 2.683 1.00 0.00 O ATOM 1576 CB GLN A 85 84.396 -15.150 5.348 1.00 0.00 C ATOM 1577 CG GLN A 85 85.152 -14.091 6.133 1.00 0.00 C ATOM 1578 CD GLN A 85 86.103 -14.687 7.152 1.00 0.00 C ATOM 1579 OE1 GLN A 85 85.870 -15.773 7.681 1.00 0.00 O ATOM 1580 NE2 GLN A 85 87.183 -13.979 7.437 1.00 0.00 N ATOM 0 H GLN A 85 83.106 -16.081 2.909 1.00 0.00 H new ATOM 0 HA GLN A 85 82.737 -13.894 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 85 83.842 -15.780 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 85 85.113 -15.793 4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 85 85.714 -13.463 5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 85 84.438 -13.444 6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 85 87.341 -13.082 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.858 -14.330 8.117 1.00 0.00 H new ATOM 1589 N PHE A 86 83.723 -12.568 3.002 1.00 0.00 N ATOM 1590 CA PHE A 86 84.375 -11.702 2.039 1.00 0.00 C ATOM 1591 C PHE A 86 85.667 -11.153 2.621 1.00 0.00 C ATOM 1592 O PHE A 86 85.726 -10.799 3.799 1.00 0.00 O ATOM 1593 CB PHE A 86 83.444 -10.560 1.632 1.00 0.00 C ATOM 1594 CG PHE A 86 82.201 -11.027 0.928 1.00 0.00 C ATOM 1595 CD1 PHE A 86 82.187 -11.184 -0.447 1.00 0.00 C ATOM 1596 CD2 PHE A 86 81.048 -11.310 1.645 1.00 0.00 C ATOM 1597 CE1 PHE A 86 81.048 -11.615 -1.097 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.905 -11.743 0.999 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.906 -11.895 -0.374 1.00 0.00 C ATOM 0 H PHE A 86 82.898 -12.164 3.445 1.00 0.00 H new ATOM 0 HA PHE A 86 84.613 -12.285 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 86 83.160 -9.998 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.986 -9.874 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 86 83.078 -10.967 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 86 81.043 -11.191 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 86 81.050 -11.733 -2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 86 79.013 -11.962 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 86 79.014 -12.233 -0.881 1.00 0.00 H new ATOM 1609 N HIS A 87 86.696 -11.098 1.798 1.00 0.00 N ATOM 1610 CA HIS A 87 88.009 -10.671 2.241 1.00 0.00 C ATOM 1611 C HIS A 87 88.538 -9.587 1.313 1.00 0.00 C ATOM 1612 O HIS A 87 88.420 -9.692 0.092 1.00 0.00 O ATOM 1613 CB HIS A 87 88.951 -11.880 2.286 1.00 0.00 C ATOM 1614 CG HIS A 87 90.380 -11.555 2.608 1.00 0.00 C ATOM 1615 ND1 HIS A 87 90.868 -11.482 3.895 1.00 0.00 N ATOM 1616 CD2 HIS A 87 91.430 -11.306 1.799 1.00 0.00 C ATOM 1617 CE1 HIS A 87 92.156 -11.197 3.860 1.00 0.00 C ATOM 1618 NE2 HIS A 87 92.522 -11.086 2.597 1.00 0.00 N ATOM 0 H HIS A 87 86.647 -11.346 0.810 1.00 0.00 H new ATOM 0 HA HIS A 87 87.945 -10.251 3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.578 -12.586 3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.917 -12.385 1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 87 91.413 -11.284 0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 87 92.800 -11.075 4.718 1.00 0.00 H new ATOM 0 HE2 HIS A 87 93.464 -10.872 2.269 1.00 0.00 H new ATOM 1627 N PHE A 88 89.111 -8.552 1.898 1.00 0.00 N ATOM 1628 CA PHE A 88 89.622 -7.424 1.139 1.00 0.00 C ATOM 1629 C PHE A 88 90.937 -7.780 0.454 1.00 0.00 C ATOM 1630 O PHE A 88 91.862 -8.280 1.095 1.00 0.00 O ATOM 1631 CB PHE A 88 89.823 -6.224 2.066 1.00 0.00 C ATOM 1632 CG PHE A 88 88.536 -5.635 2.574 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.789 -4.783 1.778 1.00 0.00 C ATOM 1634 CD2 PHE A 88 88.078 -5.928 3.848 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.607 -4.237 2.241 1.00 0.00 C ATOM 1636 CE2 PHE A 88 86.897 -5.387 4.316 1.00 0.00 C ATOM 1637 CZ PHE A 88 86.161 -4.541 3.513 1.00 0.00 C ATOM 0 H PHE A 88 89.235 -8.468 2.907 1.00 0.00 H new ATOM 0 HA PHE A 88 88.894 -7.168 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 88 90.433 -6.530 2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 88 90.381 -5.453 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 88 88.134 -4.542 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 88 88.651 -6.587 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 88 86.033 -3.574 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 88 86.550 -5.626 5.310 1.00 0.00 H new ATOM 0 HZ PHE A 88 85.237 -4.117 3.878 1.00 0.00 H new ATOM 1647 N ILE A 89 91.010 -7.537 -0.848 1.00 0.00 N ATOM 1648 CA ILE A 89 92.228 -7.798 -1.603 1.00 0.00 C ATOM 1649 C ILE A 89 92.885 -6.495 -2.031 1.00 0.00 C ATOM 1650 O ILE A 89 92.229 -5.605 -2.582 1.00 0.00 O ATOM 1651 CB ILE A 89 91.978 -8.675 -2.851 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.877 -8.076 -3.734 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.626 -10.097 -2.437 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.760 -8.743 -5.089 1.00 0.00 C ATOM 0 H ILE A 89 90.241 -7.160 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 89 92.891 -8.347 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 89 92.896 -8.703 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.922 -8.156 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.074 -7.014 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.453 -10.703 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.449 -10.523 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.724 -10.085 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.962 -8.269 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.702 -8.640 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.532 -9.800 -4.956 1.00 0.00 H new ATOM 1666 N PHE A 90 94.172 -6.379 -1.763 1.00 0.00 N ATOM 1667 CA PHE A 90 94.925 -5.196 -2.130 1.00 0.00 C ATOM 1668 C PHE A 90 95.818 -5.488 -3.323 1.00 0.00 C ATOM 1669 O PHE A 90 96.882 -6.096 -3.188 1.00 0.00 O ATOM 1670 CB PHE A 90 95.767 -4.703 -0.953 1.00 0.00 C ATOM 1671 CG PHE A 90 94.954 -4.218 0.213 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.336 -5.117 1.072 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.808 -2.864 0.452 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.591 -4.669 2.143 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.064 -2.411 1.523 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.455 -3.315 2.369 1.00 0.00 C ATOM 0 H PHE A 90 94.721 -7.096 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 90 94.218 -4.412 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.417 -5.512 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.414 -3.895 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.440 -6.178 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.282 -2.152 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.115 -5.378 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.959 -1.351 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.872 -2.963 3.207 1.00 0.00 H new ATOM 1686 N LEU A 91 95.376 -5.071 -4.496 1.00 0.00 N ATOM 1687 CA LEU A 91 96.142 -5.282 -5.708 1.00 0.00 C ATOM 1688 C LEU A 91 97.240 -4.239 -5.823 1.00 0.00 C ATOM 1689 O LEU A 91 97.037 -3.146 -6.349 1.00 0.00 O ATOM 1690 CB LEU A 91 95.234 -5.257 -6.933 1.00 0.00 C ATOM 1691 CG LEU A 91 94.185 -6.364 -6.963 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.213 -6.150 -8.111 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.852 -7.728 -7.077 1.00 0.00 C ATOM 0 H LEU A 91 94.490 -4.584 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 91 96.607 -6.267 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.728 -4.293 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.851 -5.333 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 91 93.625 -6.330 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.473 -6.950 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.710 -5.191 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.758 -6.155 -9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.089 -8.506 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.438 -7.771 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.508 -7.885 -6.221 1.00 0.00 H new ATOM 1705 N ASN A 92 98.386 -4.579 -5.270 1.00 0.00 N ATOM 1706 CA ASN A 92 99.560 -3.726 -5.326 1.00 0.00 C ATOM 1707 C ASN A 92 100.449 -4.171 -6.481 1.00 0.00 C ATOM 1708 O ASN A 92 100.906 -5.309 -6.504 1.00 0.00 O ATOM 1709 CB ASN A 92 100.325 -3.811 -3.998 1.00 0.00 C ATOM 1710 CG ASN A 92 101.454 -2.801 -3.871 1.00 0.00 C ATOM 1711 OD1 ASN A 92 102.044 -2.365 -4.859 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.776 -2.434 -2.640 1.00 0.00 N ATOM 0 H ASN A 92 98.532 -5.455 -4.768 1.00 0.00 H new ATOM 0 HA ASN A 92 99.257 -2.691 -5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.624 -3.663 -3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.735 -4.815 -3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 92 102.535 -1.770 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.265 -2.816 -1.844 1.00 0.00 H new