USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 100 MET CE :methyl -135:sc= -1.79 (180deg=-7.73!) USER MOD Set 1.2: A 103 THR OG1 : rot -100:sc= 0 USER MOD Set 2.1: A 72 SER OG : rot 138:sc= -0.623 USER MOD Set 2.2: A 94 TYR OH : rot 174:sc= 0.881 USER MOD Set 3.1: A 50 THR OG1 : rot 113:sc= 0.983 USER MOD Set 3.2: A 98 TYR OH : rot 121:sc= -1.61 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 14 THR OG1 : rot 95:sc= 0.485 USER MOD Single : A 32 GLN : amide:sc= -2.45 K(o=-2.4,f=-8.4!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : A 42 TYR OH : rot -30:sc= -3.93! USER MOD Single : A 43 ASN : amide:sc= -6.86! C(o=-6.9!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.271 K(o=-0.27,f=0.96) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.861 USER MOD Single : A 70 THR OG1 : rot -68:sc= -0.101 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.67 K(o=-0.67,f=-0.017) USER MOD Single : A 90 THR OG1 : rot 52:sc= -0.375 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.6!) USER MOD Single : A 101 THR OG1 : rot 64:sc= 1.41 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 164:sc= -0.71 (180deg=-1.28) USER MOD Single : A 108 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.28) USER MOD Single : A 109 MET CE :methyl 166:sc= -1.47 (180deg=-2.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -154:sc= 0.00599 (180deg=0) USER MOD Single : A 117 SER OG : rot 24:sc= 0.392 USER MOD Single : A 118 TYR OH : rot 15:sc= -2.32! USER MOD Single : A 123 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0698) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.023 3.883 1.492 1.00 0.00 N ATOM 132 CA ASP A 10 12.724 5.018 0.575 1.00 0.00 C ATOM 133 C ASP A 10 11.816 4.486 -0.531 1.00 0.00 C ATOM 134 O ASP A 10 12.252 4.231 -1.637 1.00 0.00 O ATOM 135 CB ASP A 10 14.024 5.546 -0.034 1.00 0.00 C ATOM 136 CG ASP A 10 14.204 7.018 0.339 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.698 7.412 1.376 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.843 7.727 -0.421 1.00 0.00 O ATOM 0 HA ASP A 10 12.239 5.832 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.870 4.962 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.001 5.435 -1.118 1.00 0.00 H new ATOM 143 N ILE A 11 10.562 4.279 -0.235 1.00 0.00 N ATOM 144 CA ILE A 11 9.653 3.724 -1.261 1.00 0.00 C ATOM 145 C ILE A 11 9.218 4.810 -2.223 1.00 0.00 C ATOM 146 O ILE A 11 9.386 4.680 -3.402 1.00 0.00 O ATOM 147 CB ILE A 11 8.412 3.132 -0.624 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.740 2.461 0.706 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.822 2.092 -1.568 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.791 1.392 0.472 1.00 0.00 C ATOM 0 H ILE A 11 10.135 4.471 0.671 1.00 0.00 H new ATOM 0 HA ILE A 11 10.199 2.945 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 11 7.701 3.937 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.106 3.199 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.842 2.018 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.928 1.659 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.560 2.566 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.555 1.306 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.033 0.906 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.407 0.651 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.690 1.850 0.059 1.00 0.00 H new ATOM 162 N GLU A 12 8.631 5.864 -1.736 1.00 0.00 N ATOM 163 CA GLU A 12 8.146 6.942 -2.651 1.00 0.00 C ATOM 164 C GLU A 12 9.178 7.254 -3.749 1.00 0.00 C ATOM 165 O GLU A 12 8.829 7.681 -4.831 1.00 0.00 O ATOM 166 CB GLU A 12 7.855 8.210 -1.843 1.00 0.00 C ATOM 167 CG GLU A 12 9.056 8.538 -0.953 1.00 0.00 C ATOM 168 CD GLU A 12 9.132 10.050 -0.729 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.441 10.755 -1.675 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.879 10.477 0.387 1.00 0.00 O ATOM 0 H GLU A 12 8.464 6.030 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 12 7.234 6.591 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.650 9.043 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.964 8.067 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.964 8.023 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.975 8.183 -1.420 1.00 0.00 H new ATOM 177 N ASN A 13 10.437 7.024 -3.493 1.00 0.00 N ATOM 178 CA ASN A 13 11.466 7.288 -4.540 1.00 0.00 C ATOM 179 C ASN A 13 11.671 6.005 -5.352 1.00 0.00 C ATOM 180 O ASN A 13 11.850 6.033 -6.552 1.00 0.00 O ATOM 181 CB ASN A 13 12.783 7.697 -3.873 1.00 0.00 C ATOM 182 CG ASN A 13 13.565 8.625 -4.805 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.993 8.219 -5.869 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.774 9.863 -4.449 1.00 0.00 N ATOM 0 H ASN A 13 10.797 6.666 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 13 11.138 8.095 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.582 8.200 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.376 6.812 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.296 10.489 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.416 10.205 -3.557 1.00 0.00 H new ATOM 191 N THR A 14 11.641 4.881 -4.691 1.00 0.00 N ATOM 192 CA THR A 14 11.822 3.571 -5.385 1.00 0.00 C ATOM 193 C THR A 14 10.580 3.249 -6.235 1.00 0.00 C ATOM 194 O THR A 14 10.598 2.356 -7.058 1.00 0.00 O ATOM 195 CB THR A 14 12.021 2.489 -4.299 1.00 0.00 C ATOM 196 OG1 THR A 14 13.335 2.597 -3.771 1.00 0.00 O ATOM 197 CG2 THR A 14 11.820 1.076 -4.866 1.00 0.00 C ATOM 0 H THR A 14 11.497 4.812 -3.684 1.00 0.00 H new ATOM 0 HA THR A 14 12.686 3.606 -6.049 1.00 0.00 H new ATOM 0 HB THR A 14 11.278 2.650 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.317 3.146 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.968 0.342 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.809 0.983 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.540 0.898 -5.664 1.00 0.00 H new ATOM 205 N LEU A 15 9.508 3.961 -6.040 1.00 0.00 N ATOM 206 CA LEU A 15 8.278 3.690 -6.823 1.00 0.00 C ATOM 207 C LEU A 15 8.200 4.665 -8.000 1.00 0.00 C ATOM 208 O LEU A 15 7.525 4.417 -8.981 1.00 0.00 O ATOM 209 CB LEU A 15 7.055 3.861 -5.910 1.00 0.00 C ATOM 210 CG LEU A 15 7.262 3.086 -4.608 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.335 3.642 -3.522 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.949 1.606 -4.834 1.00 0.00 C ATOM 0 H LEU A 15 9.433 4.724 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 15 8.298 2.671 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.898 4.918 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.159 3.503 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 15 8.299 3.194 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.486 3.087 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.561 4.695 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.298 3.540 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.098 1.057 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.914 1.498 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.612 1.207 -5.601 1.00 0.00 H new ATOM 224 N ALA A 16 8.882 5.778 -7.910 1.00 0.00 N ATOM 225 CA ALA A 16 8.843 6.770 -9.020 1.00 0.00 C ATOM 226 C ALA A 16 9.969 6.481 -10.016 1.00 0.00 C ATOM 227 O ALA A 16 9.836 6.721 -11.199 1.00 0.00 O ATOM 228 CB ALA A 16 9.016 8.180 -8.450 1.00 0.00 C ATOM 0 H ALA A 16 9.464 6.041 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 16 7.884 6.697 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.988 8.907 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.210 8.390 -7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.974 8.249 -7.935 1.00 0.00 H new ATOM 340 N ASP A 24 10.071 -5.974 -5.567 1.00 0.00 N ATOM 341 CA ASP A 24 9.542 -7.273 -5.053 1.00 0.00 C ATOM 342 C ASP A 24 10.343 -7.749 -3.831 1.00 0.00 C ATOM 343 O ASP A 24 9.976 -8.707 -3.182 1.00 0.00 O ATOM 344 CB ASP A 24 9.638 -8.327 -6.159 1.00 0.00 C ATOM 345 CG ASP A 24 8.978 -9.626 -5.692 1.00 0.00 C ATOM 346 OD1 ASP A 24 8.260 -9.584 -4.705 1.00 0.00 O ATOM 347 OD2 ASP A 24 9.200 -10.640 -6.331 1.00 0.00 O ATOM 0 HA ASP A 24 8.504 -7.131 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.150 -7.964 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.683 -8.509 -6.412 1.00 0.00 H new ATOM 352 N GLY A 25 11.426 -7.095 -3.506 1.00 0.00 N ATOM 353 CA GLY A 25 12.229 -7.522 -2.323 1.00 0.00 C ATOM 354 C GLY A 25 11.827 -6.672 -1.121 1.00 0.00 C ATOM 355 O GLY A 25 12.637 -6.332 -0.282 1.00 0.00 O ATOM 0 H GLY A 25 11.789 -6.285 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.058 -8.578 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.293 -7.406 -2.528 1.00 0.00 H new ATOM 359 N LEU A 26 10.575 -6.322 -1.042 1.00 0.00 N ATOM 360 CA LEU A 26 10.095 -5.490 0.086 1.00 0.00 C ATOM 361 C LEU A 26 9.265 -6.347 1.040 1.00 0.00 C ATOM 362 O LEU A 26 8.337 -7.023 0.643 1.00 0.00 O ATOM 363 CB LEU A 26 9.210 -4.362 -0.455 1.00 0.00 C ATOM 364 CG LEU A 26 10.076 -3.225 -1.000 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.177 -2.168 -1.647 1.00 0.00 C ATOM 366 CD2 LEU A 26 10.861 -2.585 0.146 1.00 0.00 C ATOM 0 H LEU A 26 9.859 -6.582 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 26 10.953 -5.074 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.562 -4.745 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.562 -3.987 0.337 1.00 0.00 H new ATOM 0 HG LEU A 26 10.770 -3.621 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.792 -1.356 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.613 -2.620 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.485 -1.774 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.478 -1.775 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.166 -2.188 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.499 -3.335 0.613 1.00 0.00 H new ATOM 378 N ALA A 27 9.576 -6.290 2.301 1.00 0.00 N ATOM 379 CA ALA A 27 8.793 -7.065 3.312 1.00 0.00 C ATOM 380 C ALA A 27 7.376 -6.472 3.424 1.00 0.00 C ATOM 381 O ALA A 27 6.506 -7.012 4.095 1.00 0.00 O ATOM 382 CB ALA A 27 9.491 -6.976 4.671 1.00 0.00 C ATOM 0 H ALA A 27 10.344 -5.737 2.683 1.00 0.00 H new ATOM 0 HA ALA A 27 8.728 -8.108 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.922 -7.540 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.496 -7.391 4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.553 -5.933 4.980 1.00 0.00 H new ATOM 388 N PHE A 28 7.137 -5.359 2.775 1.00 0.00 N ATOM 389 CA PHE A 28 5.796 -4.729 2.829 1.00 0.00 C ATOM 390 C PHE A 28 5.336 -4.420 1.412 1.00 0.00 C ATOM 391 O PHE A 28 6.085 -3.913 0.600 1.00 0.00 O ATOM 392 CB PHE A 28 5.867 -3.420 3.615 1.00 0.00 C ATOM 393 CG PHE A 28 7.116 -2.669 3.225 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.330 -2.951 3.862 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.063 -1.704 2.216 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.489 -2.269 3.490 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.224 -1.023 1.843 1.00 0.00 C ATOM 398 CZ PHE A 28 9.438 -1.308 2.481 1.00 0.00 C ATOM 0 H PHE A 28 7.823 -4.862 2.208 1.00 0.00 H new ATOM 0 HA PHE A 28 5.099 -5.411 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.985 -2.812 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.872 -3.625 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.370 -3.697 4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.126 -1.485 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.425 -2.485 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.186 -0.277 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.336 -0.783 2.191 1.00 0.00 H new ATOM 408 N GLY A 29 4.110 -4.708 1.111 1.00 0.00 N ATOM 409 CA GLY A 29 3.600 -4.416 -0.250 1.00 0.00 C ATOM 410 C GLY A 29 3.481 -2.903 -0.417 1.00 0.00 C ATOM 411 O GLY A 29 2.936 -2.226 0.430 1.00 0.00 O ATOM 0 H GLY A 29 3.436 -5.134 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.274 -4.827 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.630 -4.890 -0.399 1.00 0.00 H new ATOM 415 N ALA A 30 3.970 -2.359 -1.500 1.00 0.00 N ATOM 416 CA ALA A 30 3.852 -0.885 -1.684 1.00 0.00 C ATOM 417 C ALA A 30 2.765 -0.619 -2.718 1.00 0.00 C ATOM 418 O ALA A 30 2.967 -0.799 -3.902 1.00 0.00 O ATOM 419 CB ALA A 30 5.186 -0.289 -2.158 1.00 0.00 C ATOM 0 H ALA A 30 4.438 -2.863 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 30 3.594 -0.416 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.078 0.788 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.959 -0.491 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.469 -0.741 -3.109 1.00 0.00 H new ATOM 425 N ILE A 31 1.605 -0.217 -2.283 1.00 0.00 N ATOM 426 CA ILE A 31 0.506 0.031 -3.253 1.00 0.00 C ATOM 427 C ILE A 31 0.349 1.536 -3.475 1.00 0.00 C ATOM 428 O ILE A 31 0.493 2.329 -2.567 1.00 0.00 O ATOM 429 CB ILE A 31 -0.818 -0.604 -2.743 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.599 0.343 -1.828 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.506 -1.862 -1.939 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.431 1.313 -2.672 1.00 0.00 C ATOM 0 H ILE A 31 1.372 -0.050 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 31 0.752 -0.436 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.421 -0.827 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.250 -0.230 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.910 0.899 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.436 -2.306 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.018 -2.578 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.123 -1.603 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.984 1.984 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.770 1.896 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.131 0.750 -3.289 1.00 0.00 H new ATOM 444 N GLN A 32 0.045 1.930 -4.673 1.00 0.00 N ATOM 445 CA GLN A 32 -0.139 3.374 -4.955 1.00 0.00 C ATOM 446 C GLN A 32 -1.584 3.589 -5.388 1.00 0.00 C ATOM 447 O GLN A 32 -2.283 2.650 -5.716 1.00 0.00 O ATOM 448 CB GLN A 32 0.808 3.803 -6.073 1.00 0.00 C ATOM 449 CG GLN A 32 2.074 4.413 -5.469 1.00 0.00 C ATOM 450 CD GLN A 32 3.019 4.842 -6.593 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.645 4.841 -7.749 1.00 0.00 O ATOM 452 NE2 GLN A 32 4.235 5.212 -6.300 1.00 0.00 N ATOM 0 H GLN A 32 -0.085 1.311 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 32 0.080 3.967 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.066 2.945 -6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.316 4.529 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.817 5.271 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.567 3.688 -4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.548 5.213 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.873 5.501 -7.042 1.00 0.00 H new ATOM 461 N LEU A 33 -2.051 4.803 -5.384 1.00 0.00 N ATOM 462 CA LEU A 33 -3.459 5.038 -5.790 1.00 0.00 C ATOM 463 C LEU A 33 -3.588 6.409 -6.457 1.00 0.00 C ATOM 464 O LEU A 33 -2.885 7.341 -6.115 1.00 0.00 O ATOM 465 CB LEU A 33 -4.354 5.013 -4.551 1.00 0.00 C ATOM 466 CG LEU A 33 -4.338 3.615 -3.930 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.138 3.626 -2.629 1.00 0.00 C ATOM 468 CD2 LEU A 33 -4.970 2.618 -4.905 1.00 0.00 C ATOM 0 H LEU A 33 -1.524 5.635 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.760 4.259 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.006 5.748 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.373 5.289 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.309 3.322 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.127 2.630 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.692 4.337 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.167 3.919 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.959 1.621 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.999 2.913 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.402 2.609 -5.835 1.00 0.00 H new ATOM 480 N ASP A 34 -4.491 6.548 -7.391 1.00 0.00 N ATOM 481 CA ASP A 34 -4.664 7.870 -8.056 1.00 0.00 C ATOM 482 C ASP A 34 -6.112 8.347 -7.927 1.00 0.00 C ATOM 483 O ASP A 34 -7.026 7.697 -8.380 1.00 0.00 O ATOM 484 CB ASP A 34 -4.302 7.776 -9.536 1.00 0.00 C ATOM 485 CG ASP A 34 -5.256 6.812 -10.249 1.00 0.00 C ATOM 486 OD1 ASP A 34 -6.319 7.253 -10.651 1.00 0.00 O ATOM 487 OD2 ASP A 34 -4.905 5.652 -10.386 1.00 0.00 O ATOM 0 H ASP A 34 -5.112 5.808 -7.720 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.001 8.582 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.358 8.763 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.274 7.431 -9.646 1.00 0.00 H new ATOM 492 N GLY A 35 -6.275 9.506 -7.342 1.00 0.00 N ATOM 493 CA GLY A 35 -7.604 10.168 -7.150 1.00 0.00 C ATOM 494 C GLY A 35 -8.710 9.199 -6.732 1.00 0.00 C ATOM 495 O GLY A 35 -9.100 9.132 -5.583 1.00 0.00 O ATOM 0 H GLY A 35 -5.497 10.050 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.508 10.946 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.894 10.660 -8.078 1.00 0.00 H new ATOM 499 N ASP A 36 -9.237 8.486 -7.672 1.00 0.00 N ATOM 500 CA ASP A 36 -10.360 7.542 -7.385 1.00 0.00 C ATOM 501 C ASP A 36 -9.876 6.344 -6.566 1.00 0.00 C ATOM 502 O ASP A 36 -10.660 5.513 -6.152 1.00 0.00 O ATOM 503 CB ASP A 36 -10.948 7.043 -8.707 1.00 0.00 C ATOM 504 CG ASP A 36 -12.423 7.441 -8.793 1.00 0.00 C ATOM 505 OD1 ASP A 36 -13.241 6.730 -8.234 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.709 8.448 -9.419 1.00 0.00 O ATOM 0 H ASP A 36 -8.939 8.510 -8.647 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.118 8.072 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.396 7.468 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.848 5.960 -8.776 1.00 0.00 H new ATOM 511 N GLY A 37 -8.602 6.238 -6.330 1.00 0.00 N ATOM 512 CA GLY A 37 -8.094 5.086 -5.543 1.00 0.00 C ATOM 513 C GLY A 37 -7.664 3.969 -6.497 1.00 0.00 C ATOM 514 O GLY A 37 -7.520 2.827 -6.102 1.00 0.00 O ATOM 0 H GLY A 37 -7.892 6.898 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.251 5.397 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.868 4.724 -4.867 1.00 0.00 H new ATOM 518 N ASN A 38 -7.455 4.279 -7.751 1.00 0.00 N ATOM 519 CA ASN A 38 -7.034 3.214 -8.706 1.00 0.00 C ATOM 520 C ASN A 38 -5.562 2.884 -8.465 1.00 0.00 C ATOM 521 O ASN A 38 -4.737 3.757 -8.308 1.00 0.00 O ATOM 522 CB ASN A 38 -7.222 3.693 -10.144 1.00 0.00 C ATOM 523 CG ASN A 38 -8.684 3.511 -10.557 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.165 2.400 -10.654 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.414 4.563 -10.808 1.00 0.00 N ATOM 0 H ASN A 38 -7.556 5.212 -8.150 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.645 2.325 -8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.937 4.742 -10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.571 3.131 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.389 4.453 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.009 5.496 -10.726 1.00 0.00 H new ATOM 532 N ILE A 39 -5.236 1.628 -8.415 1.00 0.00 N ATOM 533 CA ILE A 39 -3.824 1.226 -8.150 1.00 0.00 C ATOM 534 C ILE A 39 -2.872 1.783 -9.218 1.00 0.00 C ATOM 535 O ILE A 39 -3.139 1.740 -10.402 1.00 0.00 O ATOM 536 CB ILE A 39 -3.752 -0.326 -8.084 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.065 -0.737 -6.781 1.00 0.00 C ATOM 538 CG2 ILE A 39 -2.978 -0.934 -9.267 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.122 -1.155 -5.760 1.00 0.00 C ATOM 0 H ILE A 39 -5.888 0.854 -8.547 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.503 1.646 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.774 -0.703 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.375 -1.561 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.475 0.092 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.959 -2.020 -9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.469 -0.662 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.957 -0.552 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.634 -1.448 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.794 -0.318 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.693 -1.997 -6.151 1.00 0.00 H new ATOM 551 N LEU A 40 -1.737 2.252 -8.783 1.00 0.00 N ATOM 552 CA LEU A 40 -0.709 2.759 -9.730 1.00 0.00 C ATOM 553 C LEU A 40 0.384 1.690 -9.804 1.00 0.00 C ATOM 554 O LEU A 40 0.982 1.456 -10.835 1.00 0.00 O ATOM 555 CB LEU A 40 -0.115 4.076 -9.216 1.00 0.00 C ATOM 556 CG LEU A 40 -1.208 4.933 -8.568 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.603 6.258 -8.103 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.314 5.212 -9.583 1.00 0.00 C ATOM 0 H LEU A 40 -1.476 2.306 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.144 2.951 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.673 3.870 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.345 4.622 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.627 4.399 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.378 6.870 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.186 6.063 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.185 6.787 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.089 5.821 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.897 5.745 -10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.746 4.269 -9.918 1.00 0.00 H new ATOM 570 N GLN A 41 0.614 1.020 -8.703 1.00 0.00 N ATOM 571 CA GLN A 41 1.636 -0.079 -8.665 1.00 0.00 C ATOM 572 C GLN A 41 1.305 -1.018 -7.499 1.00 0.00 C ATOM 573 O GLN A 41 0.295 -0.865 -6.842 1.00 0.00 O ATOM 574 CB GLN A 41 3.079 0.459 -8.520 1.00 0.00 C ATOM 575 CG GLN A 41 3.121 1.881 -7.942 1.00 0.00 C ATOM 576 CD GLN A 41 3.394 1.809 -6.441 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.420 2.263 -5.974 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.515 1.249 -5.660 1.00 0.00 N ATOM 0 H GLN A 41 0.134 1.187 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 41 1.595 -0.614 -9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.649 -0.209 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.566 0.452 -9.495 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.898 2.464 -8.437 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.175 2.389 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.654 0.868 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.688 1.191 -4.656 1.00 0.00 H new ATOM 587 N TYR A 42 2.123 -2.009 -7.253 1.00 0.00 N ATOM 588 CA TYR A 42 1.810 -2.964 -6.143 1.00 0.00 C ATOM 589 C TYR A 42 3.075 -3.729 -5.705 1.00 0.00 C ATOM 590 O TYR A 42 3.557 -3.551 -4.600 1.00 0.00 O ATOM 591 CB TYR A 42 0.752 -3.952 -6.654 1.00 0.00 C ATOM 592 CG TYR A 42 0.004 -4.577 -5.503 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.632 -3.768 -4.555 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.063 -5.970 -5.393 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.341 -4.357 -3.498 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.765 -6.554 -4.337 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.402 -5.747 -3.395 1.00 0.00 C ATOM 598 OH TYR A 42 -2.096 -6.321 -2.367 1.00 0.00 O ATOM 0 H TYR A 42 2.985 -2.199 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 42 1.438 -2.415 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.052 -3.435 -7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.231 -4.730 -7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.577 -2.693 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.428 -6.594 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.838 -3.737 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.815 -7.629 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.071 -5.730 -1.585 1.00 0.00 H new ATOM 608 N ASN A 43 3.582 -4.584 -6.579 1.00 0.00 N ATOM 609 CA ASN A 43 4.808 -5.428 -6.315 1.00 0.00 C ATOM 610 C ASN A 43 4.371 -6.871 -5.996 1.00 0.00 C ATOM 611 O ASN A 43 3.195 -7.173 -5.963 1.00 0.00 O ATOM 612 CB ASN A 43 5.723 -4.825 -5.215 1.00 0.00 C ATOM 613 CG ASN A 43 5.342 -5.293 -3.803 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.315 -5.897 -3.599 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.143 -5.016 -2.811 1.00 0.00 N ATOM 0 H ASN A 43 3.177 -4.736 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 43 5.422 -5.441 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.758 -5.101 -5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.669 -3.737 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.902 -5.309 -1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.010 -4.506 -2.982 1.00 0.00 H new ATOM 622 N ALA A 44 5.300 -7.773 -5.811 1.00 0.00 N ATOM 623 CA ALA A 44 4.913 -9.199 -5.557 1.00 0.00 C ATOM 624 C ALA A 44 4.869 -9.547 -4.060 1.00 0.00 C ATOM 625 O ALA A 44 4.311 -10.557 -3.686 1.00 0.00 O ATOM 626 CB ALA A 44 5.918 -10.120 -6.250 1.00 0.00 C ATOM 0 H ALA A 44 6.303 -7.589 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 44 3.908 -9.338 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.643 -11.159 -6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.912 -9.924 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.916 -9.934 -5.853 1.00 0.00 H new ATOM 632 N ALA A 45 5.453 -8.759 -3.200 1.00 0.00 N ATOM 633 CA ALA A 45 5.425 -9.112 -1.741 1.00 0.00 C ATOM 634 C ALA A 45 3.979 -9.233 -1.256 1.00 0.00 C ATOM 635 O ALA A 45 3.542 -10.276 -0.808 1.00 0.00 O ATOM 636 CB ALA A 45 6.135 -8.024 -0.937 1.00 0.00 C ATOM 0 H ALA A 45 5.944 -7.896 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 45 5.933 -10.066 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.114 -8.282 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.170 -7.942 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.629 -7.071 -1.089 1.00 0.00 H new ATOM 642 N GLU A 46 3.246 -8.165 -1.328 1.00 0.00 N ATOM 643 CA GLU A 46 1.819 -8.191 -0.868 1.00 0.00 C ATOM 644 C GLU A 46 1.046 -9.220 -1.669 1.00 0.00 C ATOM 645 O GLU A 46 0.399 -10.089 -1.131 1.00 0.00 O ATOM 646 CB GLU A 46 1.142 -6.823 -1.061 1.00 0.00 C ATOM 647 CG GLU A 46 1.718 -6.067 -2.264 1.00 0.00 C ATOM 648 CD GLU A 46 1.208 -4.636 -2.251 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.624 -3.873 -3.109 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.307 -4.293 -1.264 1.00 0.00 O ATOM 0 H GLU A 46 3.567 -7.266 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 46 1.817 -8.442 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.070 -6.964 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.270 -6.224 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.807 -6.077 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.427 -6.560 -3.191 1.00 0.00 H new ATOM 658 N GLY A 47 1.113 -9.120 -2.954 1.00 0.00 N ATOM 659 CA GLY A 47 0.385 -10.087 -3.822 1.00 0.00 C ATOM 660 C GLY A 47 0.891 -11.512 -3.555 1.00 0.00 C ATOM 661 O GLY A 47 0.290 -12.477 -3.975 1.00 0.00 O ATOM 0 H GLY A 47 1.644 -8.406 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.686 -10.029 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.532 -9.830 -4.871 1.00 0.00 H new ATOM 665 N ASP A 48 2.003 -11.658 -2.877 1.00 0.00 N ATOM 666 CA ASP A 48 2.533 -13.025 -2.608 1.00 0.00 C ATOM 667 C ASP A 48 1.789 -13.658 -1.425 1.00 0.00 C ATOM 668 O ASP A 48 1.530 -14.845 -1.415 1.00 0.00 O ATOM 669 CB ASP A 48 4.024 -12.945 -2.279 1.00 0.00 C ATOM 670 CG ASP A 48 4.841 -13.372 -3.500 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.407 -13.094 -4.606 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.886 -13.971 -3.309 1.00 0.00 O ATOM 0 H ASP A 48 2.562 -10.892 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 48 2.385 -13.639 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.289 -11.928 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.255 -13.589 -1.431 1.00 0.00 H new ATOM 677 N ILE A 49 1.448 -12.888 -0.423 1.00 0.00 N ATOM 678 CA ILE A 49 0.736 -13.465 0.743 1.00 0.00 C ATOM 679 C ILE A 49 -0.774 -13.510 0.444 1.00 0.00 C ATOM 680 O ILE A 49 -1.450 -14.472 0.747 1.00 0.00 O ATOM 681 CB ILE A 49 1.053 -12.600 1.976 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.197 -13.235 2.766 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.155 -12.461 2.899 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.528 -12.900 2.095 1.00 0.00 C ATOM 0 H ILE A 49 1.634 -11.887 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 49 1.062 -14.486 0.942 1.00 0.00 H new ATOM 0 HB ILE A 49 1.331 -11.609 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.192 -12.867 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.064 -14.316 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.112 -11.843 3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.976 -11.993 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.464 -13.447 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.344 -13.353 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.530 -13.289 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.661 -11.818 2.070 1.00 0.00 H new ATOM 696 N THR A 50 -1.304 -12.463 -0.128 1.00 0.00 N ATOM 697 CA THR A 50 -2.771 -12.431 -0.424 1.00 0.00 C ATOM 698 C THR A 50 -3.030 -12.945 -1.846 1.00 0.00 C ATOM 699 O THR A 50 -4.086 -13.467 -2.143 1.00 0.00 O ATOM 700 CB THR A 50 -3.331 -10.992 -0.282 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.485 -10.397 -1.569 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.405 -10.110 0.567 1.00 0.00 C ATOM 0 H THR A 50 -0.788 -11.628 -0.404 1.00 0.00 H new ATOM 0 HA THR A 50 -3.278 -13.075 0.294 1.00 0.00 H new ATOM 0 HB THR A 50 -4.298 -11.064 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.438 -10.263 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.828 -9.109 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.305 -10.541 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.424 -10.053 0.096 1.00 0.00 H new ATOM 710 N GLY A 51 -2.082 -12.795 -2.728 1.00 0.00 N ATOM 711 CA GLY A 51 -2.285 -13.267 -4.123 1.00 0.00 C ATOM 712 C GLY A 51 -2.640 -12.086 -5.040 1.00 0.00 C ATOM 713 O GLY A 51 -2.792 -12.246 -6.235 1.00 0.00 O ATOM 0 H GLY A 51 -1.176 -12.366 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.380 -13.757 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.082 -14.010 -4.150 1.00 0.00 H new ATOM 717 N ARG A 52 -2.778 -10.904 -4.496 1.00 0.00 N ATOM 718 CA ARG A 52 -3.128 -9.726 -5.344 1.00 0.00 C ATOM 719 C ARG A 52 -2.038 -9.501 -6.390 1.00 0.00 C ATOM 720 O ARG A 52 -0.999 -8.941 -6.109 1.00 0.00 O ATOM 721 CB ARG A 52 -3.243 -8.477 -4.468 1.00 0.00 C ATOM 722 CG ARG A 52 -4.665 -8.372 -3.907 1.00 0.00 C ATOM 723 CD ARG A 52 -4.630 -7.695 -2.537 1.00 0.00 C ATOM 724 NE ARG A 52 -5.110 -6.270 -2.605 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.420 -5.337 -3.221 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.109 -5.449 -4.482 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.066 -4.270 -2.567 1.00 0.00 N ATOM 0 H ARG A 52 -2.664 -10.704 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.079 -9.916 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.522 -8.525 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.005 -7.588 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.294 -7.801 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.107 -9.365 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.252 -8.255 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.613 -7.718 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.994 -6.022 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.402 -6.272 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.573 -4.714 -4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.324 -4.164 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.530 -3.539 -3.035 1.00 0.00 H new ATOM 741 N ASP A 53 -2.274 -9.923 -7.600 1.00 0.00 N ATOM 742 CA ASP A 53 -1.257 -9.721 -8.668 1.00 0.00 C ATOM 743 C ASP A 53 -1.247 -8.238 -9.065 1.00 0.00 C ATOM 744 O ASP A 53 -2.183 -7.524 -8.769 1.00 0.00 O ATOM 745 CB ASP A 53 -1.614 -10.575 -9.887 1.00 0.00 C ATOM 746 CG ASP A 53 -1.024 -11.977 -9.721 1.00 0.00 C ATOM 747 OD1 ASP A 53 -1.289 -12.592 -8.702 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.317 -12.411 -10.616 1.00 0.00 O ATOM 0 H ASP A 53 -3.127 -10.399 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.273 -10.015 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.697 -10.636 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.227 -10.112 -10.794 1.00 0.00 H new ATOM 753 N PRO A 54 -0.191 -7.807 -9.720 1.00 0.00 N ATOM 754 CA PRO A 54 -0.054 -6.403 -10.154 1.00 0.00 C ATOM 755 C PRO A 54 -0.884 -6.141 -11.414 1.00 0.00 C ATOM 756 O PRO A 54 -1.654 -5.203 -11.478 1.00 0.00 O ATOM 757 CB PRO A 54 1.441 -6.262 -10.452 1.00 0.00 C ATOM 758 CG PRO A 54 1.969 -7.691 -10.727 1.00 0.00 C ATOM 759 CD PRO A 54 0.961 -8.665 -10.089 1.00 0.00 C ATOM 0 HA PRO A 54 -0.407 -5.692 -9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.606 -5.615 -11.313 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.964 -5.810 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.057 -7.872 -11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.962 -7.826 -10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.667 -9.448 -10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.384 -9.161 -9.215 1.00 0.00 H new ATOM 767 N LYS A 55 -0.725 -6.955 -12.420 1.00 0.00 N ATOM 768 CA LYS A 55 -1.493 -6.751 -13.680 1.00 0.00 C ATOM 769 C LYS A 55 -2.992 -6.914 -13.417 1.00 0.00 C ATOM 770 O LYS A 55 -3.815 -6.368 -14.123 1.00 0.00 O ATOM 771 CB LYS A 55 -1.043 -7.783 -14.717 1.00 0.00 C ATOM 772 CG LYS A 55 -1.718 -7.490 -16.059 1.00 0.00 C ATOM 773 CD LYS A 55 -2.761 -8.570 -16.352 1.00 0.00 C ATOM 774 CE LYS A 55 -2.104 -9.722 -17.114 1.00 0.00 C ATOM 775 NZ LYS A 55 -2.721 -11.015 -16.698 1.00 0.00 N ATOM 0 H LYS A 55 -0.094 -7.756 -12.424 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.307 -5.744 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.041 -7.752 -14.829 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.300 -8.787 -14.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.192 -6.509 -16.033 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.973 -7.463 -16.855 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.193 -8.936 -15.420 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.578 -8.151 -16.939 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.227 -9.578 -18.187 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.032 -9.738 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.273 -11.797 -17.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.582 -11.153 -15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.739 -10.998 -16.910 1.00 0.00 H new ATOM 789 N GLN A 56 -3.360 -7.666 -12.414 1.00 0.00 N ATOM 790 CA GLN A 56 -4.810 -7.857 -12.129 1.00 0.00 C ATOM 791 C GLN A 56 -5.325 -6.710 -11.261 1.00 0.00 C ATOM 792 O GLN A 56 -6.390 -6.176 -11.493 1.00 0.00 O ATOM 793 CB GLN A 56 -5.019 -9.184 -11.397 1.00 0.00 C ATOM 794 CG GLN A 56 -5.319 -10.281 -12.419 1.00 0.00 C ATOM 795 CD GLN A 56 -6.831 -10.383 -12.630 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.495 -9.389 -12.845 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.408 -11.554 -12.578 1.00 0.00 N ATOM 0 H GLN A 56 -2.723 -8.153 -11.784 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.360 -7.870 -13.070 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.129 -9.440 -10.822 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.842 -9.096 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.824 -10.058 -13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.925 -11.235 -12.070 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.851 -12.389 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.415 -11.633 -12.718 1.00 0.00 H new ATOM 806 N VAL A 57 -4.575 -6.317 -10.269 1.00 0.00 N ATOM 807 CA VAL A 57 -5.027 -5.195 -9.402 1.00 0.00 C ATOM 808 C VAL A 57 -4.862 -3.870 -10.147 1.00 0.00 C ATOM 809 O VAL A 57 -5.228 -2.824 -9.649 1.00 0.00 O ATOM 810 CB VAL A 57 -4.201 -5.169 -8.121 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.356 -6.510 -7.407 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.728 -4.930 -8.467 1.00 0.00 C ATOM 0 H VAL A 57 -3.672 -6.723 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.078 -5.338 -9.149 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.547 -4.366 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.769 -6.503 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.406 -6.674 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.004 -7.311 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.137 -4.911 -7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.371 -5.732 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.626 -3.976 -8.984 1.00 0.00 H new ATOM 822 N ILE A 58 -4.319 -3.895 -11.339 1.00 0.00 N ATOM 823 CA ILE A 58 -4.156 -2.629 -12.093 1.00 0.00 C ATOM 824 C ILE A 58 -5.540 -2.167 -12.548 1.00 0.00 C ATOM 825 O ILE A 58 -6.267 -2.886 -13.205 1.00 0.00 O ATOM 826 CB ILE A 58 -3.192 -2.865 -13.278 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.830 -2.297 -12.892 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.670 -2.174 -14.567 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.752 -2.872 -13.813 1.00 0.00 C ATOM 0 H ILE A 58 -3.986 -4.734 -11.814 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.720 -1.845 -11.474 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.146 -3.936 -13.478 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.844 -1.210 -12.967 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.604 -2.542 -11.854 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.959 -2.370 -15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.649 -2.563 -14.847 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.741 -1.099 -14.399 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.220 -2.464 -13.535 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.731 -3.957 -13.716 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.975 -2.605 -14.846 1.00 0.00 H new ATOM 841 N GLY A 59 -5.911 -0.981 -12.176 1.00 0.00 N ATOM 842 CA GLY A 59 -7.257 -0.468 -12.555 1.00 0.00 C ATOM 843 C GLY A 59 -8.269 -0.865 -11.473 1.00 0.00 C ATOM 844 O GLY A 59 -9.365 -0.343 -11.416 1.00 0.00 O ATOM 0 H GLY A 59 -5.342 -0.339 -11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.229 0.616 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.558 -0.878 -13.519 1.00 0.00 H new ATOM 848 N LYS A 60 -7.910 -1.785 -10.610 1.00 0.00 N ATOM 849 CA LYS A 60 -8.846 -2.208 -9.532 1.00 0.00 C ATOM 850 C LYS A 60 -8.807 -1.182 -8.402 1.00 0.00 C ATOM 851 O LYS A 60 -7.754 -0.722 -8.005 1.00 0.00 O ATOM 852 CB LYS A 60 -8.414 -3.573 -8.978 1.00 0.00 C ATOM 853 CG LYS A 60 -8.283 -4.581 -10.121 1.00 0.00 C ATOM 854 CD LYS A 60 -9.655 -4.814 -10.756 1.00 0.00 C ATOM 855 CE LYS A 60 -9.859 -6.311 -10.993 1.00 0.00 C ATOM 856 NZ LYS A 60 -11.209 -6.714 -10.506 1.00 0.00 N ATOM 0 H LYS A 60 -7.007 -2.259 -10.609 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.855 -2.280 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.463 -3.478 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.144 -3.928 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.583 -4.210 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.880 -5.522 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.439 -4.428 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.728 -4.272 -11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.761 -6.538 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.089 -6.880 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.347 -7.732 -10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.286 -6.511 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.938 -6.180 -11.021 1.00 0.00 H new ATOM 870 N ASN A 61 -9.942 -0.825 -7.873 1.00 0.00 N ATOM 871 CA ASN A 61 -9.960 0.161 -6.760 1.00 0.00 C ATOM 872 C ASN A 61 -9.551 -0.552 -5.469 1.00 0.00 C ATOM 873 O ASN A 61 -10.280 -1.369 -4.945 1.00 0.00 O ATOM 874 CB ASN A 61 -11.370 0.735 -6.606 1.00 0.00 C ATOM 875 CG ASN A 61 -11.373 2.208 -7.024 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.666 3.077 -6.226 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.057 2.528 -8.249 1.00 0.00 N ATOM 0 H ASN A 61 -10.856 -1.173 -8.163 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.267 0.975 -6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.072 0.171 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.702 0.639 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.056 3.507 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.811 1.799 -8.919 1.00 0.00 H new ATOM 884 N PHE A 62 -8.390 -0.254 -4.956 1.00 0.00 N ATOM 885 CA PHE A 62 -7.934 -0.923 -3.695 1.00 0.00 C ATOM 886 C PHE A 62 -8.853 -0.542 -2.531 1.00 0.00 C ATOM 887 O PHE A 62 -8.778 -1.120 -1.464 1.00 0.00 O ATOM 888 CB PHE A 62 -6.504 -0.469 -3.369 1.00 0.00 C ATOM 889 CG PHE A 62 -6.146 -0.843 -1.943 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.849 -2.170 -1.626 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.113 0.141 -0.944 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.512 -2.519 -0.312 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.775 -0.207 0.370 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.471 -1.537 0.684 1.00 0.00 C ATOM 0 H PHE A 62 -7.735 0.421 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.963 -2.003 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.801 -0.933 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.418 0.609 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.879 -2.928 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.348 1.167 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.284 -3.546 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.749 0.550 1.140 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.205 -1.805 1.696 1.00 0.00 H new ATOM 904 N PHE A 63 -9.682 0.439 -2.703 1.00 0.00 N ATOM 905 CA PHE A 63 -10.552 0.858 -1.574 1.00 0.00 C ATOM 906 C PHE A 63 -11.920 0.177 -1.662 1.00 0.00 C ATOM 907 O PHE A 63 -12.849 0.555 -0.977 1.00 0.00 O ATOM 908 CB PHE A 63 -10.731 2.373 -1.614 1.00 0.00 C ATOM 909 CG PHE A 63 -9.500 3.031 -1.044 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.131 2.792 0.284 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.730 3.884 -1.840 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.992 3.405 0.815 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.592 4.499 -1.308 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.223 4.259 0.020 1.00 0.00 C ATOM 0 H PHE A 63 -9.797 0.967 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.080 0.563 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.894 2.705 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.612 2.663 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.726 2.134 0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.014 4.068 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.707 3.218 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.998 5.159 -1.922 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.344 4.734 0.431 1.00 0.00 H new ATOM 924 N LYS A 64 -12.057 -0.822 -2.490 1.00 0.00 N ATOM 925 CA LYS A 64 -13.376 -1.510 -2.601 1.00 0.00 C ATOM 926 C LYS A 64 -13.286 -2.650 -3.617 1.00 0.00 C ATOM 927 O LYS A 64 -13.691 -3.764 -3.351 1.00 0.00 O ATOM 928 CB LYS A 64 -14.435 -0.501 -3.060 1.00 0.00 C ATOM 929 CG LYS A 64 -15.779 -1.209 -3.256 1.00 0.00 C ATOM 930 CD LYS A 64 -16.856 -0.175 -3.590 1.00 0.00 C ATOM 931 CE LYS A 64 -18.190 -0.884 -3.834 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.850 -0.299 -5.035 1.00 0.00 N ATOM 0 H LYS A 64 -11.319 -1.190 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.652 -1.919 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.537 0.294 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.122 -0.031 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.702 -1.942 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.051 -1.754 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.956 0.538 -2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.567 0.393 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.025 -1.952 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.836 -0.777 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.757 -0.780 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.020 0.715 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.235 -0.423 -5.864 1.00 0.00 H new ATOM 946 N ASP A 65 -12.777 -2.378 -4.786 1.00 0.00 N ATOM 947 CA ASP A 65 -12.685 -3.445 -5.821 1.00 0.00 C ATOM 948 C ASP A 65 -11.665 -4.507 -5.404 1.00 0.00 C ATOM 949 O ASP A 65 -11.622 -5.582 -5.974 1.00 0.00 O ATOM 950 CB ASP A 65 -12.264 -2.829 -7.156 1.00 0.00 C ATOM 951 CG ASP A 65 -13.232 -3.281 -8.250 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.300 -4.473 -8.497 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.891 -2.427 -8.821 1.00 0.00 O ATOM 0 H ASP A 65 -12.421 -1.465 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.662 -3.917 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.262 -1.741 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.248 -3.134 -7.405 1.00 0.00 H new ATOM 958 N VAL A 66 -10.840 -4.237 -4.425 1.00 0.00 N ATOM 959 CA VAL A 66 -9.847 -5.250 -4.009 1.00 0.00 C ATOM 960 C VAL A 66 -9.993 -5.492 -2.521 1.00 0.00 C ATOM 961 O VAL A 66 -10.193 -6.596 -2.059 1.00 0.00 O ATOM 962 CB VAL A 66 -8.446 -4.709 -4.240 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.455 -5.860 -4.199 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.351 -4.013 -5.590 1.00 0.00 C ATOM 0 H VAL A 66 -10.817 -3.361 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.007 -6.165 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.217 -3.985 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.447 -5.479 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.503 -6.347 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.702 -6.581 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.339 -3.634 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.588 -4.723 -6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.057 -3.183 -5.622 1.00 0.00 H new ATOM 974 N ALA A 67 -9.855 -4.443 -1.775 1.00 0.00 N ATOM 975 CA ALA A 67 -9.936 -4.544 -0.307 1.00 0.00 C ATOM 976 C ALA A 67 -11.145 -3.743 0.199 1.00 0.00 C ATOM 977 O ALA A 67 -11.056 -2.541 0.353 1.00 0.00 O ATOM 978 CB ALA A 67 -8.651 -3.955 0.254 1.00 0.00 C ATOM 0 H ALA A 67 -9.686 -3.502 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.056 -5.580 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.670 -4.010 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.798 -4.518 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.563 -2.913 -0.055 1.00 0.00 H new ATOM 984 N PRO A 68 -12.245 -4.424 0.446 1.00 0.00 N ATOM 985 CA PRO A 68 -13.473 -3.769 0.934 1.00 0.00 C ATOM 986 C PRO A 68 -13.341 -3.387 2.415 1.00 0.00 C ATOM 987 O PRO A 68 -14.235 -2.807 2.994 1.00 0.00 O ATOM 988 CB PRO A 68 -14.557 -4.833 0.731 1.00 0.00 C ATOM 989 CG PRO A 68 -13.827 -6.194 0.672 1.00 0.00 C ATOM 990 CD PRO A 68 -12.370 -5.892 0.276 1.00 0.00 C ATOM 0 HA PRO A 68 -13.694 -2.839 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.278 -4.814 1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.113 -4.650 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.870 -6.699 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.298 -6.855 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.665 -6.428 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.166 -6.193 -0.752 1.00 0.00 H new ATOM 998 N CYS A 69 -12.232 -3.701 3.032 1.00 0.00 N ATOM 999 CA CYS A 69 -12.054 -3.346 4.465 1.00 0.00 C ATOM 1000 C CYS A 69 -11.380 -1.970 4.568 1.00 0.00 C ATOM 1001 O CYS A 69 -11.530 -1.260 5.542 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.179 -4.414 5.145 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.445 -4.226 4.637 1.00 0.00 S ATOM 0 H CYS A 69 -11.444 -4.187 2.604 1.00 0.00 H new ATOM 0 HA CYS A 69 -13.023 -3.306 4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.259 -4.324 6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.537 -5.409 4.881 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.721 -5.133 5.222 1.00 0.00 H new ATOM 1008 N THR A 70 -10.624 -1.604 3.565 1.00 0.00 N ATOM 1009 CA THR A 70 -9.920 -0.292 3.596 1.00 0.00 C ATOM 1010 C THR A 70 -10.913 0.843 3.336 1.00 0.00 C ATOM 1011 O THR A 70 -10.554 2.001 3.360 1.00 0.00 O ATOM 1012 CB THR A 70 -8.818 -0.279 2.533 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.364 -0.650 1.274 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.722 -1.270 2.924 1.00 0.00 C ATOM 0 H THR A 70 -10.465 -2.160 2.725 1.00 0.00 H new ATOM 0 HA THR A 70 -9.473 -0.147 4.580 1.00 0.00 H new ATOM 0 HB THR A 70 -8.396 0.723 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.625 -1.594 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.937 -1.261 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.300 -0.985 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.146 -2.272 2.996 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.161 0.531 3.102 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.158 1.607 2.866 1.00 0.00 C ATOM 1024 C ASP A 71 -13.759 2.018 4.210 1.00 0.00 C ATOM 1025 O ASP A 71 -14.960 2.055 4.386 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.257 1.093 1.934 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.931 2.274 1.235 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.456 3.128 1.929 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -14.912 2.302 0.015 1.00 0.00 O ATOM 0 H ASP A 71 -12.528 -0.420 3.065 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.679 2.468 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.832 0.414 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.994 0.525 2.502 1.00 0.00 H new ATOM 1034 N SER A 72 -12.919 2.327 5.158 1.00 0.00 N ATOM 1035 CA SER A 72 -13.406 2.737 6.503 1.00 0.00 C ATOM 1036 C SER A 72 -12.802 4.105 6.852 1.00 0.00 C ATOM 1037 O SER A 72 -12.042 4.643 6.072 1.00 0.00 O ATOM 1038 CB SER A 72 -12.968 1.699 7.538 1.00 0.00 C ATOM 1039 OG SER A 72 -12.623 0.491 6.874 1.00 0.00 O ATOM 0 H SER A 72 -11.904 2.312 5.056 1.00 0.00 H new ATOM 0 HA SER A 72 -14.494 2.805 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.115 2.072 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.772 1.518 8.252 1.00 0.00 H new ATOM 0 HG SER A 72 -11.810 0.118 7.274 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.156 4.637 8.008 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.653 5.949 8.458 1.00 0.00 C ATOM 1047 C PRO A 73 -11.223 5.844 9.010 1.00 0.00 C ATOM 1048 O PRO A 73 -10.634 6.828 9.409 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.632 6.352 9.565 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.280 5.043 10.074 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.082 3.990 8.969 1.00 0.00 C ATOM 0 HA PRO A 73 -12.601 6.675 7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.113 6.868 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.389 7.037 9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.816 4.718 11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.340 5.191 10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.660 3.068 9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.028 3.728 8.495 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.657 4.667 9.037 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.275 4.523 9.559 1.00 0.00 C ATOM 1061 C GLU A 74 -8.324 4.235 8.398 1.00 0.00 C ATOM 1062 O GLU A 74 -7.161 4.583 8.427 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.214 3.373 10.559 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.147 3.661 11.738 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.588 3.005 13.002 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.442 1.793 13.001 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.314 3.724 13.949 1.00 0.00 O ATOM 0 H GLU A 74 -11.095 3.802 8.720 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.981 5.447 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.504 2.441 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.192 3.243 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.243 4.737 11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.146 3.278 11.528 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.817 3.609 7.369 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.959 3.311 6.191 1.00 0.00 C ATOM 1076 C PHE A 75 -8.261 4.364 5.123 1.00 0.00 C ATOM 1077 O PHE A 75 -7.470 5.258 4.869 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.282 1.909 5.660 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.016 1.248 5.168 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.416 1.691 3.984 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.440 0.195 5.894 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.242 1.084 3.523 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.263 -0.411 5.431 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.664 0.034 4.247 1.00 0.00 C ATOM 0 H PHE A 75 -9.782 3.289 7.292 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.903 3.338 6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.736 1.307 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.008 1.975 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.859 2.502 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.902 -0.148 6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.781 1.426 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.818 -1.222 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.757 -0.432 3.892 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.423 4.303 4.528 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.776 5.334 3.521 1.00 0.00 C ATOM 1096 C TYR A 76 -10.053 6.647 4.258 1.00 0.00 C ATOM 1097 O TYR A 76 -10.086 7.697 3.665 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.021 4.912 2.734 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.201 5.838 1.552 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.145 6.040 0.653 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.421 6.495 1.357 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.309 6.902 -0.440 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.586 7.357 0.265 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.531 7.560 -0.634 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.694 8.410 -1.708 1.00 0.00 O ATOM 0 H TYR A 76 -10.133 3.590 4.696 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.953 5.457 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.918 3.882 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.901 4.948 3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.204 5.531 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.236 6.338 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.495 7.059 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.527 7.865 0.116 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.600 8.783 -1.696 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.245 6.588 5.554 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.495 7.830 6.339 1.00 0.00 C ATOM 1117 C GLY A 77 -9.267 8.724 6.265 1.00 0.00 C ATOM 1118 O GLY A 77 -9.313 9.829 5.761 1.00 0.00 O ATOM 0 H GLY A 77 -10.239 5.727 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.366 8.354 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.716 7.580 7.377 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.163 8.250 6.770 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.919 9.069 6.739 1.00 0.00 C ATOM 1124 C LYS A 78 -6.522 9.324 5.292 1.00 0.00 C ATOM 1125 O LYS A 78 -5.738 10.196 5.005 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.795 8.342 7.487 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.349 7.649 8.748 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.438 8.508 9.412 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.297 8.439 10.935 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.630 9.765 11.531 1.00 0.00 N ATOM 0 H LYS A 78 -8.068 7.331 7.203 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.096 10.025 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.332 7.604 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.017 9.052 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.760 6.675 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.539 7.471 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.354 9.542 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.425 8.155 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.959 7.672 11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.280 8.154 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.533 9.715 12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.981 10.487 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.608 10.020 11.287 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.069 8.577 4.380 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.755 8.793 2.953 1.00 0.00 C ATOM 1146 C PHE A 79 -7.533 10.007 2.469 1.00 0.00 C ATOM 1147 O PHE A 79 -7.029 10.819 1.739 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.185 7.557 2.173 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.025 7.762 0.679 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.911 8.598 -0.017 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.008 7.094 -0.019 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.778 8.762 -1.400 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.882 7.261 -1.396 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.764 8.090 -2.087 1.00 0.00 C ATOM 0 H PHE A 79 -7.726 7.820 4.568 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.688 8.962 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.591 6.700 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.225 7.325 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.696 9.115 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.322 6.450 0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.458 9.407 -1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.098 6.746 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.663 8.213 -3.155 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.758 10.144 2.884 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.558 11.309 2.460 1.00 0.00 C ATOM 1166 C LYS A 80 -9.120 12.532 3.261 1.00 0.00 C ATOM 1167 O LYS A 80 -9.527 13.645 2.992 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.035 11.032 2.725 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.716 10.600 1.426 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.233 10.621 1.614 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.796 11.935 1.071 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.399 11.702 -0.272 1.00 0.00 N ATOM 0 H LYS A 80 -9.238 9.491 3.503 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.408 11.492 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.140 10.252 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.518 11.925 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.430 11.268 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.387 9.599 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.686 9.777 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.481 10.516 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.547 12.331 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.004 12.681 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.782 12.596 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.671 11.343 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.166 11.004 -0.192 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.283 12.334 4.244 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.809 13.485 5.059 1.00 0.00 C ATOM 1188 C GLU A 81 -6.471 13.943 4.500 1.00 0.00 C ATOM 1189 O GLU A 81 -6.200 15.119 4.367 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.640 13.047 6.516 1.00 0.00 C ATOM 1191 CG GLU A 81 -8.891 12.292 6.970 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.592 13.083 8.077 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.100 14.152 7.783 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -9.611 12.605 9.199 1.00 0.00 O ATOM 0 H GLU A 81 -7.908 11.425 4.516 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.531 14.301 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.761 12.410 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.477 13.917 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.567 12.148 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.619 11.301 7.333 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.645 13.004 4.150 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.318 13.346 3.569 1.00 0.00 C ATOM 1203 C GLY A 82 -4.546 13.939 2.181 1.00 0.00 C ATOM 1204 O GLY A 82 -3.905 14.888 1.785 1.00 0.00 O ATOM 0 H GLY A 82 -5.831 12.005 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.796 14.060 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.690 12.457 3.505 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.469 13.381 1.447 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.767 13.906 0.082 1.00 0.00 C ATOM 1210 C VAL A 83 -6.216 15.369 0.182 1.00 0.00 C ATOM 1211 O VAL A 83 -5.887 16.189 -0.651 1.00 0.00 O ATOM 1212 CB VAL A 83 -6.897 13.082 -0.545 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.241 13.643 -1.927 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.454 11.626 -0.687 1.00 0.00 C ATOM 0 H VAL A 83 -6.033 12.581 1.734 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.871 13.836 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.776 13.135 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.045 13.054 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.562 14.680 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.361 13.595 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.259 11.042 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.572 11.575 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.214 11.221 0.296 1.00 0.00 H new ATOM 1224 N ALA A 84 -6.983 15.693 1.188 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.478 17.094 1.336 1.00 0.00 C ATOM 1226 C ALA A 84 -6.466 17.948 2.113 1.00 0.00 C ATOM 1227 O ALA A 84 -6.629 19.146 2.236 1.00 0.00 O ATOM 1228 CB ALA A 84 -8.809 17.077 2.090 1.00 0.00 C ATOM 0 H ALA A 84 -7.289 15.047 1.916 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.611 17.527 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.177 18.097 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.536 16.488 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.664 16.634 3.075 1.00 0.00 H new ATOM 1234 N SER A 85 -5.431 17.356 2.642 1.00 0.00 N ATOM 1235 CA SER A 85 -4.434 18.159 3.409 1.00 0.00 C ATOM 1236 C SER A 85 -3.203 18.434 2.538 1.00 0.00 C ATOM 1237 O SER A 85 -2.428 19.327 2.812 1.00 0.00 O ATOM 1238 CB SER A 85 -4.009 17.389 4.660 1.00 0.00 C ATOM 1239 OG SER A 85 -3.864 18.298 5.743 1.00 0.00 O ATOM 0 H SER A 85 -5.232 16.358 2.578 1.00 0.00 H new ATOM 0 HA SER A 85 -4.888 19.107 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.752 16.630 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.069 16.868 4.479 1.00 0.00 H new ATOM 0 HG SER A 85 -3.593 17.808 6.547 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.014 17.674 1.494 1.00 0.00 N ATOM 1246 CA GLY A 86 -1.832 17.898 0.616 1.00 0.00 C ATOM 1247 C GLY A 86 -0.587 17.274 1.256 1.00 0.00 C ATOM 1248 O GLY A 86 0.529 17.573 0.879 1.00 0.00 O ATOM 0 H GLY A 86 -3.626 16.909 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.007 17.458 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.678 18.966 0.463 1.00 0.00 H new ATOM 1252 N ASN A 87 -0.764 16.410 2.222 1.00 0.00 N ATOM 1253 CA ASN A 87 0.418 15.776 2.878 1.00 0.00 C ATOM 1254 C ASN A 87 -0.013 14.481 3.575 1.00 0.00 C ATOM 1255 O ASN A 87 0.011 14.378 4.785 1.00 0.00 O ATOM 1256 CB ASN A 87 1.008 16.741 3.908 1.00 0.00 C ATOM 1257 CG ASN A 87 2.530 16.576 3.950 1.00 0.00 C ATOM 1258 OD1 ASN A 87 3.258 17.437 3.500 1.00 0.00 O ATOM 1259 ND2 ASN A 87 3.044 15.498 4.478 1.00 0.00 N ATOM 0 H ASN A 87 -1.672 16.117 2.584 1.00 0.00 H new ATOM 0 HA ASN A 87 1.170 15.546 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.750 17.768 3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.583 16.544 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.057 15.380 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.433 14.774 4.856 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.408 13.495 2.818 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.843 12.205 3.427 1.00 0.00 C ATOM 1268 C LEU A 88 0.294 11.611 4.262 1.00 0.00 C ATOM 1269 O LEU A 88 1.386 11.398 3.782 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.223 11.222 2.317 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.415 10.378 2.769 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.603 10.632 1.840 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.037 8.896 2.721 1.00 0.00 C ATOM 0 H LEU A 88 -0.449 13.527 1.799 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.704 12.386 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.473 11.765 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.376 10.578 2.082 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.688 10.651 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.452 10.030 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.872 11.688 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.332 10.360 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.886 8.293 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.764 8.623 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.191 8.715 3.384 1.00 0.00 H new ATOM 1285 N ASN A 89 0.046 11.335 5.509 1.00 0.00 N ATOM 1286 CA ASN A 89 1.112 10.745 6.364 1.00 0.00 C ATOM 1287 C ASN A 89 0.469 10.099 7.588 1.00 0.00 C ATOM 1288 O ASN A 89 0.381 10.703 8.639 1.00 0.00 O ATOM 1289 CB ASN A 89 2.081 11.843 6.809 1.00 0.00 C ATOM 1290 CG ASN A 89 3.156 11.247 7.723 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.571 11.872 8.677 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.626 10.055 7.470 1.00 0.00 N ATOM 0 H ASN A 89 -0.848 11.492 5.974 1.00 0.00 H new ATOM 0 HA ASN A 89 1.662 9.992 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.546 12.305 5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.538 12.629 7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.341 9.650 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.278 9.529 6.668 1.00 0.00 H new ATOM 1299 N THR A 90 0.007 8.883 7.468 1.00 0.00 N ATOM 1300 CA THR A 90 -0.639 8.233 8.647 1.00 0.00 C ATOM 1301 C THR A 90 -0.333 6.734 8.675 1.00 0.00 C ATOM 1302 O THR A 90 0.236 6.183 7.755 1.00 0.00 O ATOM 1303 CB THR A 90 -2.152 8.441 8.576 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.764 7.820 9.697 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.696 7.825 7.288 1.00 0.00 C ATOM 0 H THR A 90 0.047 8.318 6.619 1.00 0.00 H new ATOM 0 HA THR A 90 -0.242 8.687 9.555 1.00 0.00 H new ATOM 0 HB THR A 90 -2.373 9.508 8.584 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.326 8.125 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.775 7.975 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.225 8.303 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.477 6.757 7.275 1.00 0.00 H new ATOM 1313 N MET A 91 -0.713 6.075 9.738 1.00 0.00 N ATOM 1314 CA MET A 91 -0.459 4.608 9.857 1.00 0.00 C ATOM 1315 C MET A 91 -1.456 4.011 10.854 1.00 0.00 C ATOM 1316 O MET A 91 -2.175 4.725 11.523 1.00 0.00 O ATOM 1317 CB MET A 91 0.971 4.369 10.358 1.00 0.00 C ATOM 1318 CG MET A 91 1.304 5.365 11.472 1.00 0.00 C ATOM 1319 SD MET A 91 3.011 5.109 12.018 1.00 0.00 S ATOM 1320 CE MET A 91 2.647 3.997 13.399 1.00 0.00 C ATOM 0 H MET A 91 -1.192 6.493 10.535 1.00 0.00 H new ATOM 0 HA MET A 91 -0.579 4.134 8.883 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.071 3.349 10.728 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.678 4.480 9.535 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.175 6.386 11.113 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.619 5.233 12.310 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.577 3.708 13.888 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.003 4.506 14.116 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.142 3.106 13.026 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.511 2.710 10.961 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.474 2.091 11.921 1.00 0.00 C ATOM 1332 C PHE A 92 -2.394 0.567 11.830 1.00 0.00 C ATOM 1333 O PHE A 92 -2.035 0.020 10.816 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.896 2.539 11.580 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.146 2.345 10.105 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.274 1.054 9.577 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.248 3.455 9.263 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.498 0.877 8.210 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.477 3.277 7.894 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.600 1.985 7.369 1.00 0.00 C ATOM 0 H PHE A 92 -0.937 2.054 10.431 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.219 2.408 12.932 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.618 1.965 12.160 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.032 3.587 11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.199 0.195 10.227 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.150 4.451 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.592 -0.119 7.803 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.559 4.135 7.243 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.774 1.846 6.312 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.738 -0.123 12.882 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.692 -1.614 12.843 1.00 0.00 C ATOM 1352 C GLU A 93 -3.933 -2.133 12.118 1.00 0.00 C ATOM 1353 O GLU A 93 -5.046 -1.763 12.436 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.671 -2.161 14.272 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.245 -2.574 14.641 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.246 -4.018 15.144 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.416 -4.909 14.328 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -1.073 -4.209 16.336 1.00 0.00 O ATOM 0 H GLU A 93 -3.049 0.279 13.766 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.795 -1.941 12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.033 -1.404 14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.341 -3.016 14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.592 -2.480 13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.850 -1.910 15.410 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.757 -2.979 11.140 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.934 -3.504 10.400 1.00 0.00 C ATOM 1367 C TYR A 94 -4.812 -5.019 10.227 1.00 0.00 C ATOM 1368 O TYR A 94 -3.782 -5.606 10.493 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.006 -2.839 9.025 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.405 -2.326 8.789 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.915 -1.295 9.586 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.192 -2.884 7.776 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.214 -0.821 9.370 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.490 -2.409 7.560 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.002 -1.379 8.356 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.283 -0.913 8.142 1.00 0.00 O ATOM 0 H TYR A 94 -2.852 -3.327 10.824 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.839 -3.282 10.965 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.291 -2.018 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.733 -3.554 8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.306 -0.865 10.368 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.798 -3.680 7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.608 -0.025 9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.098 -2.838 6.777 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.657 -1.338 7.342 1.00 0.00 H new ATOM 1386 N THR A 95 -5.859 -5.648 9.775 1.00 0.00 N ATOM 1387 CA THR A 95 -5.824 -7.123 9.568 1.00 0.00 C ATOM 1388 C THR A 95 -6.582 -7.456 8.285 1.00 0.00 C ATOM 1389 O THR A 95 -7.764 -7.198 8.167 1.00 0.00 O ATOM 1390 CB THR A 95 -6.490 -7.829 10.755 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.751 -7.560 11.938 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.525 -9.340 10.507 1.00 0.00 C ATOM 0 H THR A 95 -6.745 -5.201 9.538 1.00 0.00 H new ATOM 0 HA THR A 95 -4.791 -7.460 9.489 1.00 0.00 H new ATOM 0 HB THR A 95 -7.510 -7.461 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.176 -8.009 12.698 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.999 -9.837 11.353 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.093 -9.547 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.508 -9.713 10.391 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.916 -8.019 7.317 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.614 -8.355 6.042 1.00 0.00 C ATOM 1402 C PHE A 96 -7.186 -9.774 6.123 1.00 0.00 C ATOM 1403 O PHE A 96 -6.470 -10.733 6.325 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.630 -8.264 4.867 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.045 -6.867 4.762 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.768 -5.747 5.206 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.769 -6.695 4.208 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.213 -4.466 5.096 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.217 -5.413 4.099 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.938 -4.299 4.543 1.00 0.00 C ATOM 0 H PHE A 96 -4.926 -8.260 7.351 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.427 -7.646 5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.828 -8.990 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.140 -8.520 3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.752 -5.874 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.210 -7.553 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.769 -3.606 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.234 -5.284 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.511 -3.311 4.459 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.474 -9.907 5.964 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.106 -11.256 6.025 1.00 0.00 C ATOM 1422 C ASP A 97 -10.234 -11.326 4.992 1.00 0.00 C ATOM 1423 O ASP A 97 -11.329 -11.766 5.281 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.679 -11.490 7.425 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.734 -12.992 7.710 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -10.637 -13.638 7.204 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -8.873 -13.470 8.430 1.00 0.00 O ATOM 0 H ASP A 97 -9.119 -9.136 5.794 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.361 -12.022 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.061 -10.990 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.677 -11.059 7.498 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.974 -10.878 3.793 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.028 -10.898 2.734 1.00 0.00 C ATOM 1434 C TYR A 98 -11.065 -12.260 2.025 1.00 0.00 C ATOM 1435 O TYR A 98 -10.762 -12.367 0.857 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.749 -9.779 1.716 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.429 -9.977 0.972 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.530 -11.014 1.298 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.110 -9.092 -0.065 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.333 -11.154 0.583 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.913 -9.238 -0.776 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.028 -10.267 -0.453 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.856 -10.410 -1.161 1.00 0.00 O ATOM 0 H TYR A 98 -9.074 -10.498 3.499 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.999 -10.734 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.565 -9.737 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.730 -8.819 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.764 -11.700 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.791 -8.293 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.645 -11.948 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.674 -8.553 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.061 -10.542 -2.110 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.444 -13.294 2.731 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.514 -14.662 2.125 1.00 0.00 C ATOM 1455 C GLN A 99 -10.094 -15.246 2.021 1.00 0.00 C ATOM 1456 O GLN A 99 -9.789 -16.039 1.154 1.00 0.00 O ATOM 1457 CB GLN A 99 -12.253 -14.599 0.755 1.00 0.00 C ATOM 1458 CG GLN A 99 -11.295 -14.576 -0.454 1.00 0.00 C ATOM 1459 CD GLN A 99 -11.221 -15.973 -1.077 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -10.147 -16.503 -1.283 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -12.325 -16.596 -1.385 1.00 0.00 N ATOM 0 H GLN A 99 -11.712 -13.250 3.714 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.093 -15.333 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.916 -15.459 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.881 -13.708 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.644 -13.855 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.302 -14.254 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.227 -16.152 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.287 -17.528 -1.799 1.00 0.00 H new ATOM 1470 N MET A 100 -9.228 -14.866 2.921 1.00 0.00 N ATOM 1471 CA MET A 100 -7.836 -15.395 2.897 1.00 0.00 C ATOM 1472 C MET A 100 -7.385 -15.637 4.335 1.00 0.00 C ATOM 1473 O MET A 100 -8.054 -15.253 5.273 1.00 0.00 O ATOM 1474 CB MET A 100 -6.910 -14.369 2.239 1.00 0.00 C ATOM 1475 CG MET A 100 -5.612 -15.055 1.806 1.00 0.00 C ATOM 1476 SD MET A 100 -4.270 -14.585 2.930 1.00 0.00 S ATOM 1477 CE MET A 100 -4.297 -12.809 2.590 1.00 0.00 C ATOM 0 H MET A 100 -9.427 -14.209 3.675 1.00 0.00 H new ATOM 0 HA MET A 100 -7.799 -16.325 2.330 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.402 -13.920 1.376 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.691 -13.561 2.937 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.742 -16.137 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.361 -14.769 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.277 -12.448 2.458 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.869 -12.621 1.681 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.761 -12.286 3.426 1.00 0.00 H new ATOM 1487 N THR A 101 -6.258 -16.267 4.526 1.00 0.00 N ATOM 1488 CA THR A 101 -5.785 -16.520 5.919 1.00 0.00 C ATOM 1489 C THR A 101 -5.805 -15.201 6.708 1.00 0.00 C ATOM 1490 O THR A 101 -6.011 -14.151 6.132 1.00 0.00 O ATOM 1491 CB THR A 101 -4.357 -17.083 5.908 1.00 0.00 C ATOM 1492 OG1 THR A 101 -3.801 -16.966 4.604 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.381 -18.555 6.325 1.00 0.00 C ATOM 0 H THR A 101 -5.648 -16.615 3.786 1.00 0.00 H new ATOM 0 HA THR A 101 -6.446 -17.248 6.389 1.00 0.00 H new ATOM 0 HB THR A 101 -3.745 -16.517 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.715 -16.019 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.366 -18.952 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.796 -18.642 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.998 -19.121 5.627 1.00 0.00 H new ATOM 1501 N PRO A 102 -5.599 -15.284 8.003 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.603 -14.096 8.871 1.00 0.00 C ATOM 1503 C PRO A 102 -4.284 -13.333 8.731 1.00 0.00 C ATOM 1504 O PRO A 102 -3.321 -13.609 9.418 1.00 0.00 O ATOM 1505 CB PRO A 102 -5.760 -14.676 10.278 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.278 -16.145 10.203 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.341 -16.554 8.721 1.00 0.00 C ATOM 0 HA PRO A 102 -6.391 -13.385 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.170 -14.110 10.999 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.798 -14.624 10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.263 -16.240 10.588 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.911 -16.792 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.408 -17.013 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.133 -17.281 8.542 1.00 0.00 H new ATOM 1515 N THR A 103 -4.232 -12.377 7.842 1.00 0.00 N ATOM 1516 CA THR A 103 -2.972 -11.606 7.659 1.00 0.00 C ATOM 1517 C THR A 103 -2.946 -10.416 8.619 1.00 0.00 C ATOM 1518 O THR A 103 -3.878 -9.640 8.698 1.00 0.00 O ATOM 1519 CB THR A 103 -2.876 -11.098 6.209 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.635 -12.198 5.344 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.728 -10.080 6.073 1.00 0.00 C ATOM 0 H THR A 103 -5.005 -12.099 7.238 1.00 0.00 H new ATOM 0 HA THR A 103 -2.124 -12.258 7.870 1.00 0.00 H new ATOM 0 HB THR A 103 -3.813 -10.610 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.682 -12.234 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.672 -9.730 5.042 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.912 -9.233 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.786 -10.555 6.346 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.862 -10.254 9.312 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.727 -9.098 10.236 1.00 0.00 C ATOM 1531 C LYS A 104 -0.692 -8.166 9.629 1.00 0.00 C ATOM 1532 O LYS A 104 0.270 -8.618 9.049 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.245 -9.548 11.629 1.00 0.00 C ATOM 1534 CG LYS A 104 -0.404 -10.828 11.531 1.00 0.00 C ATOM 1535 CD LYS A 104 -1.326 -12.050 11.540 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.870 -12.269 12.954 1.00 0.00 C ATOM 1537 NZ LYS A 104 -0.867 -13.017 13.763 1.00 0.00 N ATOM 0 H LYS A 104 -1.055 -10.877 9.280 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.693 -8.610 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.655 -8.755 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.104 -9.721 12.277 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.191 -10.815 10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.295 -10.881 12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.149 -11.903 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.780 -12.933 11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.089 -11.310 13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.807 -12.825 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.237 -13.166 14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.679 -13.938 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.016 -12.470 13.813 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.870 -6.879 9.736 1.00 0.00 N ATOM 1552 CA VAL A 105 0.133 -5.957 9.134 1.00 0.00 C ATOM 1553 C VAL A 105 0.068 -4.587 9.806 1.00 0.00 C ATOM 1554 O VAL A 105 -0.998 -4.082 10.096 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.175 -5.751 7.641 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.297 -7.103 6.936 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.492 -4.978 7.463 1.00 0.00 C ATOM 0 H VAL A 105 -1.655 -6.430 10.207 1.00 0.00 H new ATOM 0 HA VAL A 105 1.119 -6.400 9.270 1.00 0.00 H new ATOM 0 HB VAL A 105 0.643 -5.179 7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.515 -6.944 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.640 -7.651 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.103 -7.679 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.693 -4.842 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.308 -5.540 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.410 -4.004 7.944 1.00 0.00 H new ATOM 1567 N LYS A 106 1.185 -3.942 9.960 1.00 0.00 N ATOM 1568 CA LYS A 106 1.154 -2.560 10.501 1.00 0.00 C ATOM 1569 C LYS A 106 1.236 -1.683 9.257 1.00 0.00 C ATOM 1570 O LYS A 106 2.139 -1.814 8.465 1.00 0.00 O ATOM 1571 CB LYS A 106 2.315 -2.296 11.482 1.00 0.00 C ATOM 1572 CG LYS A 106 3.672 -2.417 10.786 1.00 0.00 C ATOM 1573 CD LYS A 106 4.462 -3.573 11.403 1.00 0.00 C ATOM 1574 CE LYS A 106 5.277 -3.059 12.592 1.00 0.00 C ATOM 1575 NZ LYS A 106 4.355 -2.692 13.702 1.00 0.00 N ATOM 0 H LYS A 106 2.111 -4.307 9.737 1.00 0.00 H new ATOM 0 HA LYS A 106 0.259 -2.360 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.212 -1.299 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.264 -3.005 12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.531 -2.588 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.229 -1.486 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.781 -4.360 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.125 -4.013 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.978 -3.825 12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.868 -2.193 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 4.895 -2.604 14.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.895 -1.785 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.631 -3.430 13.810 1.00 0.00 H new ATOM 1589 N VAL A 107 0.254 -0.873 9.012 1.00 0.00 N ATOM 1590 CA VAL A 107 0.256 -0.089 7.741 1.00 0.00 C ATOM 1591 C VAL A 107 1.010 1.232 7.902 1.00 0.00 C ATOM 1592 O VAL A 107 1.189 1.749 8.989 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.220 0.173 7.261 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.175 -0.845 7.877 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.715 1.598 7.605 1.00 0.00 C ATOM 0 H VAL A 107 -0.546 -0.716 9.625 1.00 0.00 H new ATOM 0 HA VAL A 107 0.775 -0.676 6.983 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.211 0.071 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.190 -0.647 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.880 -1.850 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.139 -0.767 8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.738 1.723 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.684 1.743 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.071 2.333 7.122 1.00 0.00 H new ATOM 1605 N HIS A 108 1.369 1.804 6.788 1.00 0.00 N ATOM 1606 CA HIS A 108 2.036 3.136 6.777 1.00 0.00 C ATOM 1607 C HIS A 108 1.867 3.707 5.373 1.00 0.00 C ATOM 1608 O HIS A 108 2.501 3.270 4.444 1.00 0.00 O ATOM 1609 CB HIS A 108 3.515 3.020 7.132 1.00 0.00 C ATOM 1610 CG HIS A 108 3.905 4.250 7.903 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.926 4.250 8.840 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.406 5.528 7.888 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.009 5.495 9.346 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.105 6.314 8.799 1.00 0.00 N ATOM 0 H HIS A 108 1.225 1.396 5.864 1.00 0.00 H new ATOM 0 HA HIS A 108 1.585 3.790 7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.695 2.124 7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.118 2.929 6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.594 5.872 7.264 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.719 5.795 10.102 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.959 7.302 9.005 1.00 0.00 H new ATOM 1622 N MET A 109 0.972 4.643 5.213 1.00 0.00 N ATOM 1623 CA MET A 109 0.691 5.213 3.855 1.00 0.00 C ATOM 1624 C MET A 109 1.151 6.675 3.794 1.00 0.00 C ATOM 1625 O MET A 109 1.137 7.369 4.791 1.00 0.00 O ATOM 1626 CB MET A 109 -0.834 5.158 3.583 1.00 0.00 C ATOM 1627 CG MET A 109 -1.550 4.180 4.542 1.00 0.00 C ATOM 1628 SD MET A 109 -2.140 5.082 5.993 1.00 0.00 S ATOM 1629 CE MET A 109 -3.795 5.462 5.365 1.00 0.00 C ATOM 0 H MET A 109 0.416 5.044 5.969 1.00 0.00 H new ATOM 0 HA MET A 109 1.229 4.631 3.107 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.260 6.155 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.009 4.851 2.552 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.387 3.702 4.033 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.867 3.387 4.846 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.427 5.801 6.186 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.727 6.247 4.611 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.229 4.567 4.919 1.00 0.00 H new ATOM 1639 N LYS A 110 1.544 7.173 2.636 1.00 0.00 N ATOM 1640 CA LYS A 110 1.971 8.605 2.577 1.00 0.00 C ATOM 1641 C LYS A 110 1.671 9.160 1.181 1.00 0.00 C ATOM 1642 O LYS A 110 1.428 8.418 0.260 1.00 0.00 O ATOM 1643 CB LYS A 110 3.471 8.718 2.858 1.00 0.00 C ATOM 1644 CG LYS A 110 3.741 9.964 3.698 1.00 0.00 C ATOM 1645 CD LYS A 110 5.235 10.047 4.026 1.00 0.00 C ATOM 1646 CE LYS A 110 5.767 11.428 3.643 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.679 11.300 2.471 1.00 0.00 N ATOM 0 H LYS A 110 1.585 6.661 1.755 1.00 0.00 H new ATOM 0 HA LYS A 110 1.426 9.175 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.821 7.830 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.024 8.772 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.427 10.856 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.158 9.928 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.395 9.866 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.780 9.273 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.939 12.095 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.299 11.871 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.042 12.239 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.475 10.677 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.157 10.894 1.668 1.00 0.00 H new ATOM 1661 N LYS A 111 1.689 10.453 1.012 1.00 0.00 N ATOM 1662 CA LYS A 111 1.399 11.024 -0.333 1.00 0.00 C ATOM 1663 C LYS A 111 2.556 10.723 -1.281 1.00 0.00 C ATOM 1664 O LYS A 111 3.678 11.138 -1.065 1.00 0.00 O ATOM 1665 CB LYS A 111 1.209 12.537 -0.229 1.00 0.00 C ATOM 1666 CG LYS A 111 2.396 13.153 0.515 1.00 0.00 C ATOM 1667 CD LYS A 111 3.208 14.018 -0.450 1.00 0.00 C ATOM 1668 CE LYS A 111 3.557 15.345 0.223 1.00 0.00 C ATOM 1669 NZ LYS A 111 3.202 16.471 -0.686 1.00 0.00 N ATOM 0 H LYS A 111 1.891 11.136 1.742 1.00 0.00 H new ATOM 0 HA LYS A 111 0.485 10.572 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.125 12.973 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.281 12.762 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.042 13.756 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.025 12.367 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.119 13.497 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.637 14.199 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.017 15.440 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.620 15.376 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.800 17.294 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.355 16.182 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.202 16.724 -0.551 1.00 0.00 H new ATOM 1683 N ALA A 112 2.287 10.006 -2.331 1.00 0.00 N ATOM 1684 CA ALA A 112 3.356 9.671 -3.308 1.00 0.00 C ATOM 1685 C ALA A 112 3.841 10.952 -3.991 1.00 0.00 C ATOM 1686 O ALA A 112 3.053 11.774 -4.416 1.00 0.00 O ATOM 1687 CB ALA A 112 2.787 8.707 -4.345 1.00 0.00 C ATOM 0 H ALA A 112 1.365 9.634 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 112 4.198 9.203 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.561 8.453 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.443 7.800 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.950 9.179 -4.860 1.00 0.00 H new ATOM 1693 N LEU A 113 5.132 11.141 -4.089 1.00 0.00 N ATOM 1694 CA LEU A 113 5.651 12.384 -4.733 1.00 0.00 C ATOM 1695 C LEU A 113 5.482 12.320 -6.258 1.00 0.00 C ATOM 1696 O LEU A 113 5.790 13.265 -6.958 1.00 0.00 O ATOM 1697 CB LEU A 113 7.132 12.613 -4.342 1.00 0.00 C ATOM 1698 CG LEU A 113 8.117 11.735 -5.147 1.00 0.00 C ATOM 1699 CD1 LEU A 113 7.619 10.291 -5.250 1.00 0.00 C ATOM 1700 CD2 LEU A 113 8.316 12.317 -6.551 1.00 0.00 C ATOM 0 H LEU A 113 5.845 10.493 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 113 5.069 13.232 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.383 13.663 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.257 12.406 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 113 9.070 11.730 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.334 9.699 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.517 9.869 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.651 10.275 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.012 11.691 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.359 12.348 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.719 13.327 -6.473 1.00 0.00 H new ATOM 1742 N SER A 117 0.136 11.643 -5.046 1.00 0.00 N ATOM 1743 CA SER A 117 -0.708 10.416 -5.058 1.00 0.00 C ATOM 1744 C SER A 117 -0.947 9.941 -3.624 1.00 0.00 C ATOM 1745 O SER A 117 -0.852 10.702 -2.682 1.00 0.00 O ATOM 1746 CB SER A 117 -0.002 9.314 -5.849 1.00 0.00 C ATOM 1747 OG SER A 117 0.959 9.899 -6.718 1.00 0.00 O ATOM 0 HA SER A 117 -1.665 10.643 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.485 8.616 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.729 8.742 -6.425 1.00 0.00 H new ATOM 0 HG SER A 117 1.229 10.773 -6.366 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.269 8.689 -3.455 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.530 8.160 -2.083 1.00 0.00 C ATOM 1755 C TYR A 118 -1.153 6.682 -2.045 1.00 0.00 C ATOM 1756 O TYR A 118 -1.825 5.854 -2.631 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.025 8.298 -1.753 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.568 9.561 -2.346 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.366 10.785 -1.708 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.276 9.497 -3.544 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.875 11.953 -2.277 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.783 10.656 -4.114 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.587 11.892 -3.483 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.091 13.046 -4.048 1.00 0.00 O ATOM 0 H TYR A 118 -1.363 8.007 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.941 8.721 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.572 7.440 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.168 8.304 -0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.818 10.828 -0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.430 8.545 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.720 12.904 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.329 10.606 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.673 13.826 -3.627 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.092 6.332 -1.369 1.00 0.00 N ATOM 1775 CA TRP A 119 0.289 4.902 -1.320 1.00 0.00 C ATOM 1776 C TRP A 119 0.192 4.346 0.090 1.00 0.00 C ATOM 1777 O TRP A 119 0.449 5.015 1.060 1.00 0.00 O ATOM 1778 CB TRP A 119 1.678 4.675 -1.929 1.00 0.00 C ATOM 1779 CG TRP A 119 2.715 5.603 -1.388 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.319 6.582 -2.076 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.319 5.594 -0.089 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.263 7.188 -1.265 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.296 6.605 -0.020 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.096 4.807 1.019 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.041 6.815 1.136 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.835 5.001 2.193 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.810 6.007 2.251 1.00 0.00 C ATOM 0 H TRP A 119 0.517 6.969 -0.856 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.426 4.349 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.986 3.646 -1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.618 4.798 -3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.104 6.854 -3.099 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.857 7.966 -1.553 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.344 4.033 0.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.789 7.593 1.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.654 4.375 3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.381 6.156 3.156 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.205 3.107 0.188 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.353 2.449 1.512 1.00 0.00 C ATOM 1800 C VAL A 120 0.572 1.231 1.578 1.00 0.00 C ATOM 1801 O VAL A 120 0.339 0.225 0.936 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.805 1.986 1.694 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -2.009 1.520 3.133 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.757 3.145 1.388 1.00 0.00 C ATOM 0 H VAL A 120 -0.437 2.515 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.091 3.156 2.300 1.00 0.00 H new ATOM 0 HB VAL A 120 -2.013 1.162 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.039 1.190 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.333 0.692 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.801 2.344 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.787 2.814 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.553 3.972 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.609 3.476 0.360 1.00 0.00 H new ATOM 1814 N PHE A 121 1.615 1.309 2.355 1.00 0.00 N ATOM 1815 CA PHE A 121 2.547 0.153 2.475 1.00 0.00 C ATOM 1816 C PHE A 121 2.069 -0.742 3.602 1.00 0.00 C ATOM 1817 O PHE A 121 1.727 -0.280 4.670 1.00 0.00 O ATOM 1818 CB PHE A 121 3.978 0.637 2.782 1.00 0.00 C ATOM 1819 CG PHE A 121 4.440 1.624 1.724 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.795 1.693 0.479 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.517 2.476 1.995 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.219 2.612 -0.483 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.939 3.396 1.030 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.289 3.464 -0.205 1.00 0.00 C ATOM 0 H PHE A 121 1.863 2.125 2.914 1.00 0.00 H new ATOM 0 HA PHE A 121 2.561 -0.394 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.007 1.107 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.658 -0.215 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 121 2.968 1.033 0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.022 2.423 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.720 2.663 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.769 4.055 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.616 4.178 -0.947 1.00 0.00 H new ATOM 1834 N VAL A 122 2.039 -2.015 3.380 1.00 0.00 N ATOM 1835 CA VAL A 122 1.583 -2.929 4.444 1.00 0.00 C ATOM 1836 C VAL A 122 2.781 -3.757 4.934 1.00 0.00 C ATOM 1837 O VAL A 122 3.368 -4.518 4.196 1.00 0.00 O ATOM 1838 CB VAL A 122 0.457 -3.810 3.862 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.508 -5.248 4.389 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.881 -3.192 4.248 1.00 0.00 C ATOM 0 H VAL A 122 2.311 -2.463 2.505 1.00 0.00 H new ATOM 0 HA VAL A 122 1.187 -2.389 5.304 1.00 0.00 H new ATOM 0 HB VAL A 122 0.585 -3.852 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.305 -5.826 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.462 -5.701 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.403 -5.242 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.692 -3.800 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.963 -3.150 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.947 -2.183 3.840 1.00 0.00 H new ATOM 1850 N LYS A 123 3.125 -3.615 6.181 1.00 0.00 N ATOM 1851 CA LYS A 123 4.271 -4.396 6.747 1.00 0.00 C ATOM 1852 C LYS A 123 3.732 -5.709 7.311 1.00 0.00 C ATOM 1853 O LYS A 123 3.038 -5.717 8.307 1.00 0.00 O ATOM 1854 CB LYS A 123 4.927 -3.595 7.880 1.00 0.00 C ATOM 1855 CG LYS A 123 6.419 -3.949 7.992 1.00 0.00 C ATOM 1856 CD LYS A 123 7.146 -3.515 6.722 1.00 0.00 C ATOM 1857 CE LYS A 123 8.472 -2.831 7.073 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.375 -3.799 7.761 1.00 0.00 N ATOM 0 H LYS A 123 2.663 -2.990 6.841 1.00 0.00 H new ATOM 0 HA LYS A 123 5.008 -4.592 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.813 -2.527 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.424 -3.808 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.856 -3.455 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.538 -5.022 8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.333 -4.382 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.517 -2.832 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.949 -2.456 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.288 -1.971 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.307 -3.362 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.968 -4.059 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.480 -4.652 7.176 1.00 0.00 H new ATOM 1872 N ARG A 124 4.028 -6.824 6.693 1.00 0.00 N ATOM 1873 CA ARG A 124 3.492 -8.107 7.238 1.00 0.00 C ATOM 1874 C ARG A 124 4.098 -8.359 8.619 1.00 0.00 C ATOM 1875 O ARG A 124 5.295 -8.498 8.771 1.00 0.00 O ATOM 1876 CB ARG A 124 3.819 -9.271 6.293 1.00 0.00 C ATOM 1877 CG ARG A 124 2.904 -10.455 6.608 1.00 0.00 C ATOM 1878 CD ARG A 124 1.979 -10.715 5.417 1.00 0.00 C ATOM 1879 NE ARG A 124 1.124 -9.517 5.176 1.00 0.00 N ATOM 1880 CZ ARG A 124 1.143 -8.924 4.015 1.00 0.00 C ATOM 1881 NH1 ARG A 124 0.337 -9.319 3.068 1.00 0.00 N ATOM 1882 NH2 ARG A 124 1.952 -7.923 3.805 1.00 0.00 N ATOM 0 H ARG A 124 4.604 -6.902 5.855 1.00 0.00 H new ATOM 0 HA ARG A 124 2.408 -8.035 7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.686 -8.961 5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.863 -9.564 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.500 -11.343 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.315 -10.246 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.569 -10.938 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 124 1.354 -11.587 5.612 1.00 0.00 H new ATOM 0 HE ARG A 124 0.524 -9.161 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.308 -10.091 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.352 -8.855 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.571 -7.603 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.966 -7.460 2.896 1.00 0.00 H new ATOM 1896 N VAL A 125 3.268 -8.404 9.627 1.00 0.00 N ATOM 1897 CA VAL A 125 3.772 -8.631 11.014 1.00 0.00 C ATOM 1898 C VAL A 125 3.775 -10.131 11.312 1.00 0.00 C ATOM 1899 O VAL A 125 2.934 -10.826 10.767 1.00 0.00 O ATOM 1900 CB VAL A 125 2.878 -7.915 12.051 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.765 -7.209 13.068 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.993 -6.856 11.392 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.618 -10.561 12.084 1.00 0.00 O ATOM 0 H VAL A 125 2.257 -8.293 9.549 1.00 0.00 H new ATOM 0 HA VAL A 125 4.782 -8.227 11.084 1.00 0.00 H new ATOM 0 HB VAL A 125 2.246 -8.667 12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.142 -6.701 13.804 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.396 -7.942 13.571 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.393 -6.478 12.558 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.378 -6.373 12.151 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.620 -6.110 10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.349 -7.330 10.651 1.00 0.00 H new