USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 55 THR OG1 : rot 121:sc= 1.35 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.979 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.314 USER MOD Set 2.2: A 25 ASN : amide:sc=-0.00557 K(o=0.31,f=-0.34) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.951 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.07 (180deg=1.99) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.14) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00339 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.07 (180deg=0.888) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 2.12 (180deg=1.98) USER MOD Single : A 31 GLN : amide:sc=-0.00643 X(o=-0.0064,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.23) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= 1.44 K(o=1.4,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0013) USER MOD Single : A 49 GLN : amide:sc= 1.97 K(o=2,f=-5!) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.381 USER MOD Single : A 60 ASN : amide:sc=-0.00625 X(o=-0.0063,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 56:sc= 1.63 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.853 52.220 20.101 1.00 0.00 N ATOM 2 CA MET A 1 33.224 52.497 21.496 1.00 0.00 C ATOM 3 C MET A 1 34.730 52.747 21.603 1.00 0.00 C ATOM 4 O MET A 1 35.496 52.172 20.834 1.00 0.00 O ATOM 5 CB MET A 1 32.775 51.383 22.438 1.00 0.00 C ATOM 6 CG MET A 1 33.525 50.066 22.266 1.00 0.00 C ATOM 7 SD MET A 1 32.933 48.712 23.310 1.00 0.00 S ATOM 8 CE MET A 1 34.240 47.503 22.980 1.00 0.00 C ATOM 0 H1 MET A 1 31.822 52.102 20.033 1.00 0.00 H new ATOM 0 H2 MET A 1 33.152 53.013 19.498 1.00 0.00 H new ATOM 0 H3 MET A 1 33.323 51.348 19.783 1.00 0.00 H new ATOM 0 HA MET A 1 32.701 53.400 21.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.896 51.724 23.466 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.711 51.203 22.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.455 49.758 21.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.581 50.235 22.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.043 46.591 23.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.262 47.273 21.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.202 47.916 23.282 1.00 0.00 H new ATOM 20 N GLN A 2 35.164 53.539 22.578 1.00 0.00 N ATOM 21 CA GLN A 2 36.565 53.757 22.882 1.00 0.00 C ATOM 22 C GLN A 2 37.103 52.662 23.804 1.00 0.00 C ATOM 23 O GLN A 2 36.399 52.226 24.713 1.00 0.00 O ATOM 24 CB GLN A 2 36.749 55.121 23.540 1.00 0.00 C ATOM 25 CG GLN A 2 36.381 56.299 22.642 1.00 0.00 C ATOM 26 CD GLN A 2 36.468 57.639 23.376 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.194 57.821 24.350 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.733 58.660 22.944 1.00 0.00 N ATOM 0 H GLN A 2 34.533 54.057 23.190 1.00 0.00 H new ATOM 0 HA GLN A 2 37.125 53.726 21.947 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.140 55.162 24.443 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.788 55.226 23.851 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.046 56.316 21.779 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.369 56.161 22.262 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.120 58.542 22.138 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.783 59.561 23.419 1.00 0.00 H new ATOM 37 N ILE A 3 38.368 52.288 23.637 1.00 0.00 N ATOM 38 CA ILE A 3 39.180 51.616 24.632 1.00 0.00 C ATOM 39 C ILE A 3 40.530 52.320 24.785 1.00 0.00 C ATOM 40 O ILE A 3 40.969 53.016 23.873 1.00 0.00 O ATOM 41 CB ILE A 3 39.355 50.126 24.349 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.058 49.852 23.023 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.017 49.401 24.458 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.436 48.389 22.805 1.00 0.00 C ATOM 0 H ILE A 3 38.871 52.455 22.766 1.00 0.00 H new ATOM 0 HA ILE A 3 38.644 51.680 25.579 1.00 0.00 H new ATOM 0 HB ILE A 3 40.019 49.724 25.115 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.410 50.173 22.208 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.961 50.460 22.971 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.160 48.340 24.253 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.617 49.526 25.464 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.317 49.819 23.735 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.931 48.281 21.840 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.111 48.066 23.597 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.536 47.774 22.822 1.00 0.00 H new ATOM 56 N PHE A 4 41.198 52.126 25.919 1.00 0.00 N ATOM 57 CA PHE A 4 42.458 52.761 26.247 1.00 0.00 C ATOM 58 C PHE A 4 43.568 51.723 26.432 1.00 0.00 C ATOM 59 O PHE A 4 43.448 50.836 27.274 1.00 0.00 O ATOM 60 CB PHE A 4 42.292 53.617 27.500 1.00 0.00 C ATOM 61 CG PHE A 4 41.065 54.495 27.564 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.715 55.320 26.488 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.286 54.512 28.728 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.592 56.151 26.574 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.165 55.345 28.819 1.00 0.00 C ATOM 66 CZ PHE A 4 38.817 56.167 27.740 1.00 0.00 C ATOM 0 H PHE A 4 40.862 51.503 26.653 1.00 0.00 H new ATOM 0 HA PHE A 4 42.752 53.405 25.418 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.282 52.955 28.366 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.171 54.254 27.596 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.313 55.315 25.589 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.552 53.878 29.561 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.323 56.781 25.739 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.569 55.354 29.720 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.953 56.812 27.807 1.00 0.00 H new ATOM 76 N VAL A 5 44.657 51.818 25.675 1.00 0.00 N ATOM 77 CA VAL A 5 45.771 50.896 25.759 1.00 0.00 C ATOM 78 C VAL A 5 46.949 51.543 26.490 1.00 0.00 C ATOM 79 O VAL A 5 47.424 52.594 26.063 1.00 0.00 O ATOM 80 CB VAL A 5 46.187 50.360 24.392 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.180 49.211 24.536 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.001 49.842 23.582 1.00 0.00 C ATOM 0 H VAL A 5 44.786 52.551 24.977 1.00 0.00 H new ATOM 0 HA VAL A 5 45.438 50.034 26.338 1.00 0.00 H new ATOM 0 HB VAL A 5 46.640 51.203 23.870 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.461 48.847 23.548 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.069 49.562 25.059 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.720 48.402 25.104 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.352 49.472 22.619 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.515 49.032 24.126 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.288 50.651 23.422 1.00 0.00 H new ATOM 92 N LYS A 6 47.422 50.902 27.555 1.00 0.00 N ATOM 93 CA LYS A 6 48.531 51.311 28.393 1.00 0.00 C ATOM 94 C LYS A 6 49.807 50.550 28.028 1.00 0.00 C ATOM 95 O LYS A 6 49.902 49.346 28.256 1.00 0.00 O ATOM 96 CB LYS A 6 48.184 51.076 29.861 1.00 0.00 C ATOM 97 CG LYS A 6 47.155 52.038 30.449 1.00 0.00 C ATOM 98 CD LYS A 6 47.730 53.431 30.689 1.00 0.00 C ATOM 99 CE LYS A 6 46.704 54.304 31.408 1.00 0.00 C ATOM 100 NZ LYS A 6 47.221 55.668 31.600 1.00 0.00 N ATOM 0 H LYS A 6 47.009 50.025 27.872 1.00 0.00 H new ATOM 0 HA LYS A 6 48.711 52.373 28.228 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.810 50.058 29.971 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.099 51.144 30.449 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.303 52.111 29.773 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.782 51.635 31.390 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.640 53.360 31.285 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.006 53.888 29.739 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.780 54.338 30.830 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.459 53.864 32.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.507 56.244 32.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.090 55.633 32.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.432 56.093 30.674 1.00 0.00 H new ATOM 168 N LYS A 11 52.523 55.301 28.501 1.00 0.00 N ATOM 169 CA LYS A 11 51.868 56.037 27.438 1.00 0.00 C ATOM 170 C LYS A 11 50.486 55.433 27.182 1.00 0.00 C ATOM 171 O LYS A 11 50.325 54.217 27.250 1.00 0.00 O ATOM 172 CB LYS A 11 52.772 56.004 26.210 1.00 0.00 C ATOM 173 CG LYS A 11 52.292 56.838 25.025 1.00 0.00 C ATOM 174 CD LYS A 11 53.226 56.651 23.834 1.00 0.00 C ATOM 175 CE LYS A 11 52.696 57.428 22.633 1.00 0.00 C ATOM 176 NZ LYS A 11 53.588 57.331 21.467 1.00 0.00 N ATOM 0 HA LYS A 11 51.708 57.081 27.708 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.764 56.351 26.500 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.879 54.969 25.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.279 56.544 24.751 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.254 57.891 25.304 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.228 56.996 24.089 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.307 55.593 23.587 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.709 57.050 22.365 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.572 58.476 22.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.280 58.004 20.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.562 57.555 21.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.554 56.365 21.083 1.00 0.00 H new ATOM 190 N THR A 12 49.495 56.266 26.875 1.00 0.00 N ATOM 191 CA THR A 12 48.136 55.838 26.618 1.00 0.00 C ATOM 192 C THR A 12 47.683 56.223 25.208 1.00 0.00 C ATOM 193 O THR A 12 47.811 57.379 24.814 1.00 0.00 O ATOM 194 CB THR A 12 47.124 56.364 27.632 1.00 0.00 C ATOM 195 OG1 THR A 12 47.678 56.492 28.922 1.00 0.00 O ATOM 196 CG2 THR A 12 45.911 55.446 27.757 1.00 0.00 C ATOM 0 H THR A 12 49.624 57.275 26.798 1.00 0.00 H new ATOM 0 HA THR A 12 48.161 54.753 26.715 1.00 0.00 H new ATOM 0 HB THR A 12 46.825 57.341 27.252 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.482 57.385 29.275 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.217 55.858 28.489 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.414 55.366 26.790 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.235 54.457 28.081 1.00 0.00 H new ATOM 204 N ILE A 13 47.102 55.272 24.481 1.00 0.00 N ATOM 205 CA ILE A 13 46.416 55.520 23.229 1.00 0.00 C ATOM 206 C ILE A 13 44.930 55.177 23.349 1.00 0.00 C ATOM 207 O ILE A 13 44.569 54.158 23.932 1.00 0.00 O ATOM 208 CB ILE A 13 47.078 54.842 22.033 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.195 53.326 22.174 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.427 55.502 21.761 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.766 52.612 20.953 1.00 0.00 C ATOM 0 H ILE A 13 47.098 54.290 24.757 1.00 0.00 H new ATOM 0 HA ILE A 13 46.498 56.588 23.027 1.00 0.00 H new ATOM 0 HB ILE A 13 46.427 54.985 21.170 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.825 53.103 23.035 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.207 52.918 22.387 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.902 55.020 20.907 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.277 56.560 21.544 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.066 55.399 22.638 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.811 51.540 21.146 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.126 52.798 20.090 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.769 52.986 20.749 1.00 0.00 H new ATOM 223 N THR A 14 44.078 56.019 22.771 1.00 0.00 N ATOM 224 CA THR A 14 42.666 55.752 22.589 1.00 0.00 C ATOM 225 C THR A 14 42.479 55.039 21.249 1.00 0.00 C ATOM 226 O THR A 14 43.057 55.477 20.256 1.00 0.00 O ATOM 227 CB THR A 14 41.841 57.036 22.575 1.00 0.00 C ATOM 228 OG1 THR A 14 42.144 57.874 23.667 1.00 0.00 O ATOM 229 CG2 THR A 14 40.341 56.766 22.628 1.00 0.00 C ATOM 0 H THR A 14 44.364 56.928 22.409 1.00 0.00 H new ATOM 0 HA THR A 14 42.324 55.138 23.422 1.00 0.00 H new ATOM 0 HB THR A 14 42.103 57.522 21.635 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.596 58.685 23.619 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.800 57.712 22.616 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.048 56.169 21.764 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.101 56.223 23.542 1.00 0.00 H new ATOM 237 N LEU A 15 41.677 53.978 21.201 1.00 0.00 N ATOM 238 CA LEU A 15 41.288 53.314 19.973 1.00 0.00 C ATOM 239 C LEU A 15 39.765 53.195 19.890 1.00 0.00 C ATOM 240 O LEU A 15 39.121 52.762 20.842 1.00 0.00 O ATOM 241 CB LEU A 15 41.961 51.947 19.882 1.00 0.00 C ATOM 242 CG LEU A 15 43.486 51.964 19.846 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.019 50.534 19.878 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.040 52.643 18.597 1.00 0.00 C ATOM 0 H LEU A 15 41.274 53.552 22.036 1.00 0.00 H new ATOM 0 HA LEU A 15 41.620 53.911 19.123 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.642 51.348 20.735 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.600 51.443 18.985 1.00 0.00 H new ATOM 0 HG LEU A 15 43.810 52.531 20.719 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.109 50.551 19.852 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.685 50.042 20.792 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.644 49.987 19.013 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.129 52.625 18.626 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.692 52.113 17.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.695 53.676 18.561 1.00 0.00 H new ATOM 256 N GLU A 16 39.200 53.552 18.740 1.00 0.00 N ATOM 257 CA GLU A 16 37.812 53.289 18.412 1.00 0.00 C ATOM 258 C GLU A 16 37.677 51.849 17.911 1.00 0.00 C ATOM 259 O GLU A 16 38.373 51.422 16.993 1.00 0.00 O ATOM 260 CB GLU A 16 37.316 54.330 17.412 1.00 0.00 C ATOM 261 CG GLU A 16 35.888 54.130 16.915 1.00 0.00 C ATOM 262 CD GLU A 16 34.816 54.169 18.006 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.943 54.913 19.003 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.795 53.465 17.852 1.00 0.00 O ATOM 0 H GLU A 16 39.707 54.040 18.001 1.00 0.00 H new ATOM 0 HA GLU A 16 37.178 53.379 19.294 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.388 55.315 17.873 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.985 54.331 16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.664 54.901 16.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.828 53.171 16.401 1.00 0.00 H new ATOM 271 N VAL A 17 36.807 51.080 18.559 1.00 0.00 N ATOM 272 CA VAL A 17 36.602 49.664 18.335 1.00 0.00 C ATOM 273 C VAL A 17 35.116 49.304 18.391 1.00 0.00 C ATOM 274 O VAL A 17 34.300 50.032 18.951 1.00 0.00 O ATOM 275 CB VAL A 17 37.382 48.812 19.332 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.892 48.969 19.181 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.011 49.097 20.785 1.00 0.00 C ATOM 0 H VAL A 17 36.199 51.452 19.289 1.00 0.00 H new ATOM 0 HA VAL A 17 36.979 49.446 17.336 1.00 0.00 H new ATOM 0 HB VAL A 17 37.098 47.788 19.091 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.398 48.341 19.914 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.191 48.667 18.177 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.168 50.011 19.344 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.601 48.459 21.443 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.216 50.143 21.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.951 48.893 20.937 1.00 0.00 H new ATOM 287 N GLU A 18 34.785 48.130 17.859 1.00 0.00 N ATOM 288 CA GLU A 18 33.534 47.446 18.114 1.00 0.00 C ATOM 289 C GLU A 18 33.800 46.189 18.943 1.00 0.00 C ATOM 290 O GLU A 18 34.847 45.572 18.757 1.00 0.00 O ATOM 291 CB GLU A 18 32.867 47.061 16.796 1.00 0.00 C ATOM 292 CG GLU A 18 32.482 48.241 15.909 1.00 0.00 C ATOM 293 CD GLU A 18 31.302 49.035 16.473 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.141 48.739 16.114 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.519 49.992 17.246 1.00 0.00 O ATOM 0 H GLU A 18 35.399 47.621 17.224 1.00 0.00 H new ATOM 0 HA GLU A 18 32.869 48.112 18.664 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.541 46.410 16.239 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.971 46.480 17.014 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.341 48.903 15.797 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.228 47.876 14.914 1.00 0.00 H new ATOM 302 N PRO A 19 32.890 45.733 19.800 1.00 0.00 N ATOM 303 CA PRO A 19 33.026 44.468 20.494 1.00 0.00 C ATOM 304 C PRO A 19 33.298 43.264 19.589 1.00 0.00 C ATOM 305 O PRO A 19 33.990 42.334 19.997 1.00 0.00 O ATOM 306 CB PRO A 19 31.717 44.282 21.256 1.00 0.00 C ATOM 307 CG PRO A 19 31.231 45.706 21.506 1.00 0.00 C ATOM 308 CD PRO A 19 31.734 46.463 20.280 1.00 0.00 C ATOM 0 HA PRO A 19 33.903 44.508 21.141 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.994 43.710 20.674 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.872 43.743 22.191 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.145 45.752 21.591 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.641 46.116 22.429 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.962 46.518 19.512 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.000 47.488 20.538 1.00 0.00 H new ATOM 316 N SER A 20 32.804 43.281 18.355 1.00 0.00 N ATOM 317 CA SER A 20 33.042 42.271 17.344 1.00 0.00 C ATOM 318 C SER A 20 34.377 42.381 16.604 1.00 0.00 C ATOM 319 O SER A 20 34.639 41.586 15.705 1.00 0.00 O ATOM 320 CB SER A 20 31.872 42.261 16.364 1.00 0.00 C ATOM 321 OG SER A 20 31.713 43.527 15.766 1.00 0.00 O ATOM 0 H SER A 20 32.201 44.034 18.024 1.00 0.00 H new ATOM 0 HA SER A 20 33.115 41.323 17.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.042 41.508 15.594 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.956 41.982 16.886 1.00 0.00 H new ATOM 0 HG SER A 20 30.960 43.501 15.140 1.00 0.00 H new ATOM 327 N ASP A 21 35.232 43.342 16.941 1.00 0.00 N ATOM 328 CA ASP A 21 36.585 43.412 16.425 1.00 0.00 C ATOM 329 C ASP A 21 37.420 42.240 16.944 1.00 0.00 C ATOM 330 O ASP A 21 37.369 41.895 18.122 1.00 0.00 O ATOM 331 CB ASP A 21 37.266 44.738 16.751 1.00 0.00 C ATOM 332 CG ASP A 21 36.743 45.948 15.975 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.146 47.089 16.291 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.999 45.771 14.986 1.00 0.00 O ATOM 0 H ASP A 21 34.998 44.097 17.585 1.00 0.00 H new ATOM 0 HA ASP A 21 36.515 43.347 15.339 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.152 44.934 17.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.334 44.637 16.558 1.00 0.00 H new ATOM 339 N THR A 22 38.200 41.624 16.059 1.00 0.00 N ATOM 340 CA THR A 22 39.127 40.567 16.413 1.00 0.00 C ATOM 341 C THR A 22 40.315 41.107 17.209 1.00 0.00 C ATOM 342 O THR A 22 40.710 42.259 17.043 1.00 0.00 O ATOM 343 CB THR A 22 39.620 39.783 15.199 1.00 0.00 C ATOM 344 OG1 THR A 22 40.380 40.595 14.332 1.00 0.00 O ATOM 345 CG2 THR A 22 38.486 39.189 14.369 1.00 0.00 C ATOM 0 H THR A 22 38.202 41.852 15.065 1.00 0.00 H new ATOM 0 HA THR A 22 38.567 39.876 17.043 1.00 0.00 H new ATOM 0 HB THR A 22 40.226 38.979 15.617 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.682 40.063 13.566 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.902 38.644 13.521 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.902 38.507 14.987 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.843 39.990 14.005 1.00 0.00 H new ATOM 353 N ILE A 23 40.937 40.269 18.034 1.00 0.00 N ATOM 354 CA ILE A 23 42.156 40.628 18.731 1.00 0.00 C ATOM 355 C ILE A 23 43.251 40.986 17.725 1.00 0.00 C ATOM 356 O ILE A 23 43.968 41.968 17.907 1.00 0.00 O ATOM 357 CB ILE A 23 42.560 39.521 19.702 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.505 39.218 20.762 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.890 39.827 20.385 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.952 40.413 21.532 1.00 0.00 C ATOM 0 H ILE A 23 40.606 39.325 18.234 1.00 0.00 H new ATOM 0 HA ILE A 23 41.988 41.518 19.337 1.00 0.00 H new ATOM 0 HB ILE A 23 42.663 38.631 19.082 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.672 38.708 20.278 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.933 38.518 21.480 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.143 39.016 21.068 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.672 39.925 19.632 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.806 40.759 20.944 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.212 40.069 22.255 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.765 40.916 22.056 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.484 41.109 20.836 1.00 0.00 H new ATOM 372 N GLU A 24 43.311 40.282 16.598 1.00 0.00 N ATOM 373 CA GLU A 24 44.204 40.538 15.486 1.00 0.00 C ATOM 374 C GLU A 24 44.016 41.926 14.871 1.00 0.00 C ATOM 375 O GLU A 24 44.999 42.607 14.584 1.00 0.00 O ATOM 376 CB GLU A 24 44.017 39.470 14.412 1.00 0.00 C ATOM 377 CG GLU A 24 44.074 38.028 14.907 1.00 0.00 C ATOM 378 CD GLU A 24 42.717 37.490 15.362 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.359 37.621 16.553 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.986 36.900 14.536 1.00 0.00 O ATOM 0 H GLU A 24 42.705 39.478 16.433 1.00 0.00 H new ATOM 0 HA GLU A 24 45.218 40.502 15.884 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.055 39.632 13.926 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.785 39.606 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.460 37.393 14.110 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.779 37.963 15.736 1.00 0.00 H new ATOM 387 N ASN A 25 42.775 42.377 14.709 1.00 0.00 N ATOM 388 CA ASN A 25 42.446 43.695 14.204 1.00 0.00 C ATOM 389 C ASN A 25 42.711 44.797 15.232 1.00 0.00 C ATOM 390 O ASN A 25 43.098 45.899 14.849 1.00 0.00 O ATOM 391 CB ASN A 25 40.998 43.738 13.726 1.00 0.00 C ATOM 392 CG ASN A 25 40.746 42.980 12.421 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.646 42.462 11.763 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.493 42.875 11.990 1.00 0.00 N ATOM 0 H ASN A 25 41.953 41.816 14.933 1.00 0.00 H new ATOM 0 HA ASN A 25 43.104 43.888 13.357 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.358 43.322 14.504 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.702 44.778 13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.291 42.371 11.126 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.733 43.298 12.523 1.00 0.00 H new ATOM 401 N VAL A 26 42.551 44.528 16.524 1.00 0.00 N ATOM 402 CA VAL A 26 42.897 45.461 17.577 1.00 0.00 C ATOM 403 C VAL A 26 44.414 45.615 17.703 1.00 0.00 C ATOM 404 O VAL A 26 44.905 46.735 17.827 1.00 0.00 O ATOM 405 CB VAL A 26 42.230 45.072 18.893 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.667 45.959 20.056 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.716 45.209 18.761 1.00 0.00 C ATOM 0 H VAL A 26 42.173 43.645 16.867 1.00 0.00 H new ATOM 0 HA VAL A 26 42.509 46.443 17.309 1.00 0.00 H new ATOM 0 HB VAL A 26 42.528 44.044 19.101 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.162 45.639 20.968 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.746 45.878 20.190 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.405 46.995 19.842 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.242 44.931 19.702 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.464 46.241 18.519 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.359 44.553 17.967 1.00 0.00 H new ATOM 417 N LYS A 27 45.180 44.538 17.544 1.00 0.00 N ATOM 418 CA LYS A 27 46.626 44.594 17.462 1.00 0.00 C ATOM 419 C LYS A 27 47.105 45.354 16.224 1.00 0.00 C ATOM 420 O LYS A 27 48.084 46.094 16.302 1.00 0.00 O ATOM 421 CB LYS A 27 47.193 43.181 17.553 1.00 0.00 C ATOM 422 CG LYS A 27 47.003 42.592 18.948 1.00 0.00 C ATOM 423 CD LYS A 27 47.207 41.081 19.029 1.00 0.00 C ATOM 424 CE LYS A 27 48.656 40.657 18.804 1.00 0.00 C ATOM 425 NZ LYS A 27 48.815 39.214 19.040 1.00 0.00 N ATOM 0 H LYS A 27 44.803 43.593 17.468 1.00 0.00 H new ATOM 0 HA LYS A 27 47.008 45.165 18.308 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.703 42.543 16.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.254 43.197 17.305 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.699 43.077 19.632 1.00 0.00 H new ATOM 0 HG3 LYS A 27 45.998 42.830 19.295 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.880 40.729 20.007 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.574 40.595 18.287 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.958 40.900 17.785 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.312 41.215 19.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.820 38.959 18.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.467 38.977 19.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.270 38.684 18.330 1.00 0.00 H new ATOM 439 N ALA A 28 46.377 45.276 15.114 1.00 0.00 N ATOM 440 CA ALA A 28 46.599 46.143 13.974 1.00 0.00 C ATOM 441 C ALA A 28 46.285 47.613 14.263 1.00 0.00 C ATOM 442 O ALA A 28 47.059 48.469 13.841 1.00 0.00 O ATOM 443 CB ALA A 28 45.821 45.618 12.771 1.00 0.00 C ATOM 0 H ALA A 28 45.617 44.608 14.985 1.00 0.00 H new ATOM 0 HA ALA A 28 47.664 46.121 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.990 46.272 11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.160 44.610 12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.757 45.596 13.007 1.00 0.00 H new ATOM 449 N LYS A 29 45.247 47.936 15.028 1.00 0.00 N ATOM 450 CA LYS A 29 44.964 49.285 15.476 1.00 0.00 C ATOM 451 C LYS A 29 46.065 49.841 16.383 1.00 0.00 C ATOM 452 O LYS A 29 46.394 51.020 16.282 1.00 0.00 O ATOM 453 CB LYS A 29 43.595 49.363 16.145 1.00 0.00 C ATOM 454 CG LYS A 29 42.427 49.254 15.169 1.00 0.00 C ATOM 455 CD LYS A 29 41.051 49.136 15.818 1.00 0.00 C ATOM 456 CE LYS A 29 39.991 49.153 14.721 1.00 0.00 C ATOM 457 NZ LYS A 29 38.606 49.177 15.218 1.00 0.00 N ATOM 0 H LYS A 29 44.568 47.250 15.358 1.00 0.00 H new ATOM 0 HA LYS A 29 44.943 49.919 14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.515 48.565 16.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.518 50.306 16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.432 50.130 14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.587 48.385 14.531 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.983 48.214 16.395 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.889 49.960 16.513 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.153 50.026 14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.123 48.274 14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.955 49.341 14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.382 48.266 15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.501 49.941 15.915 1.00 0.00 H new ATOM 471 N ILE A 30 46.691 49.012 17.213 1.00 0.00 N ATOM 472 CA ILE A 30 47.849 49.379 18.004 1.00 0.00 C ATOM 473 C ILE A 30 49.065 49.666 17.121 1.00 0.00 C ATOM 474 O ILE A 30 49.680 50.719 17.278 1.00 0.00 O ATOM 475 CB ILE A 30 48.114 48.338 19.088 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.975 48.307 20.103 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.441 48.585 19.799 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.982 47.105 21.043 1.00 0.00 C ATOM 0 H ILE A 30 46.396 48.046 17.354 1.00 0.00 H new ATOM 0 HA ILE A 30 47.637 50.315 18.520 1.00 0.00 H new ATOM 0 HB ILE A 30 48.173 47.369 18.593 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.016 49.217 20.701 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.028 48.322 19.564 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.592 47.822 20.563 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.255 48.540 19.076 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.425 49.569 20.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.135 47.172 21.726 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.906 46.187 20.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.910 47.096 21.615 1.00 0.00 H new ATOM 490 N GLN A 31 49.379 48.819 16.146 1.00 0.00 N ATOM 491 CA GLN A 31 50.419 49.076 15.170 1.00 0.00 C ATOM 492 C GLN A 31 50.169 50.386 14.420 1.00 0.00 C ATOM 493 O GLN A 31 51.106 51.137 14.160 1.00 0.00 O ATOM 494 CB GLN A 31 50.557 47.901 14.206 1.00 0.00 C ATOM 495 CG GLN A 31 51.641 48.123 13.154 1.00 0.00 C ATOM 496 CD GLN A 31 51.776 46.998 12.126 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.826 46.379 11.966 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.732 46.725 11.348 1.00 0.00 N ATOM 0 H GLN A 31 48.908 47.924 16.014 1.00 0.00 H new ATOM 0 HA GLN A 31 51.362 49.185 15.705 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.786 46.998 14.772 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.603 47.732 13.708 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.432 49.054 12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.598 48.251 13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.856 47.233 11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.807 46.008 10.627 1.00 0.00 H new ATOM 507 N ASP A 32 48.914 50.708 14.117 1.00 0.00 N ATOM 508 CA ASP A 32 48.543 51.898 13.379 1.00 0.00 C ATOM 509 C ASP A 32 48.826 53.211 14.113 1.00 0.00 C ATOM 510 O ASP A 32 48.908 54.253 13.466 1.00 0.00 O ATOM 511 CB ASP A 32 47.076 51.793 12.973 1.00 0.00 C ATOM 512 CG ASP A 32 46.695 52.772 11.862 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.689 53.499 12.003 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.361 52.781 10.803 1.00 0.00 O ATOM 0 H ASP A 32 48.115 50.133 14.386 1.00 0.00 H new ATOM 0 HA ASP A 32 49.179 51.938 12.495 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.868 50.776 12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.449 51.979 13.845 1.00 0.00 H new ATOM 519 N LYS A 33 49.028 53.183 15.427 1.00 0.00 N ATOM 520 CA LYS A 33 49.409 54.333 16.221 1.00 0.00 C ATOM 521 C LYS A 33 50.826 54.285 16.796 1.00 0.00 C ATOM 522 O LYS A 33 51.426 55.345 16.963 1.00 0.00 O ATOM 523 CB LYS A 33 48.392 54.580 17.332 1.00 0.00 C ATOM 524 CG LYS A 33 47.044 55.045 16.789 1.00 0.00 C ATOM 525 CD LYS A 33 46.208 55.687 17.891 1.00 0.00 C ATOM 526 CE LYS A 33 44.913 56.224 17.288 1.00 0.00 C ATOM 527 NZ LYS A 33 44.161 57.043 18.251 1.00 0.00 N ATOM 0 H LYS A 33 48.927 52.331 15.979 1.00 0.00 H new ATOM 0 HA LYS A 33 49.413 55.169 15.521 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.254 53.663 17.906 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.783 55.330 18.019 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.199 55.760 15.981 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.506 54.197 16.365 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.986 54.956 18.668 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.766 56.495 18.364 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.143 56.820 16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.293 55.391 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.296 57.404 17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.905 56.462 19.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.749 57.843 18.560 1.00 0.00 H new ATOM 541 N GLU A 34 51.353 53.108 17.122 1.00 0.00 N ATOM 542 CA GLU A 34 52.572 52.936 17.887 1.00 0.00 C ATOM 543 C GLU A 34 53.636 52.096 17.177 1.00 0.00 C ATOM 544 O GLU A 34 54.710 51.862 17.728 1.00 0.00 O ATOM 545 CB GLU A 34 52.171 52.406 19.260 1.00 0.00 C ATOM 546 CG GLU A 34 53.197 52.406 20.389 1.00 0.00 C ATOM 547 CD GLU A 34 53.684 53.778 20.859 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.387 54.823 20.240 1.00 0.00 O ATOM 549 OE2 GLU A 34 54.414 53.842 21.871 1.00 0.00 O ATOM 0 H GLU A 34 50.925 52.223 16.850 1.00 0.00 H new ATOM 0 HA GLU A 34 53.076 53.896 18.000 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.313 52.987 19.597 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.829 51.379 19.128 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.766 51.884 21.244 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.062 51.828 20.066 1.00 0.00 H new ATOM 556 N GLY A 35 53.392 51.638 15.953 1.00 0.00 N ATOM 557 CA GLY A 35 54.378 51.047 15.071 1.00 0.00 C ATOM 558 C GLY A 35 54.790 49.604 15.369 1.00 0.00 C ATOM 559 O GLY A 35 55.174 48.888 14.447 1.00 0.00 O ATOM 0 H GLY A 35 52.461 51.673 15.537 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.991 51.087 14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.273 51.668 15.096 1.00 0.00 H new ATOM 563 N ILE A 36 54.658 49.149 16.612 1.00 0.00 N ATOM 564 CA ILE A 36 54.959 47.793 17.029 1.00 0.00 C ATOM 565 C ILE A 36 54.053 46.780 16.328 1.00 0.00 C ATOM 566 O ILE A 36 52.834 46.903 16.429 1.00 0.00 O ATOM 567 CB ILE A 36 54.947 47.695 18.552 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.379 46.303 19.007 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.626 48.111 19.191 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.583 46.150 20.511 1.00 0.00 C ATOM 0 H ILE A 36 54.328 49.737 17.377 1.00 0.00 H new ATOM 0 HA ILE A 36 55.969 47.532 16.714 1.00 0.00 H new ATOM 0 HB ILE A 36 55.676 48.423 18.908 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.629 45.582 18.682 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.309 46.044 18.501 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.699 48.013 20.274 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.408 49.148 18.934 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.825 47.470 18.822 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.888 45.128 20.735 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.357 46.841 20.845 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.650 46.372 21.029 1.00 0.00 H new ATOM 582 N PRO A 37 54.574 45.782 15.619 1.00 0.00 N ATOM 583 CA PRO A 37 53.758 44.862 14.853 1.00 0.00 C ATOM 584 C PRO A 37 52.987 43.874 15.732 1.00 0.00 C ATOM 585 O PRO A 37 53.453 43.564 16.826 1.00 0.00 O ATOM 586 CB PRO A 37 54.711 44.146 13.900 1.00 0.00 C ATOM 587 CG PRO A 37 56.017 44.141 14.691 1.00 0.00 C ATOM 588 CD PRO A 37 55.976 45.490 15.402 1.00 0.00 C ATOM 0 HA PRO A 37 52.984 45.405 14.311 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.372 43.136 13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.812 44.674 12.952 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.061 43.311 15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.886 44.052 14.039 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.517 45.450 16.347 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.447 46.265 14.797 1.00 0.00 H new ATOM 596 N PRO A 38 51.848 43.351 15.287 1.00 0.00 N ATOM 597 CA PRO A 38 50.992 42.485 16.072 1.00 0.00 C ATOM 598 C PRO A 38 51.694 41.323 16.777 1.00 0.00 C ATOM 599 O PRO A 38 51.450 41.110 17.963 1.00 0.00 O ATOM 600 CB PRO A 38 49.916 41.987 15.111 1.00 0.00 C ATOM 601 CG PRO A 38 49.769 43.160 14.145 1.00 0.00 C ATOM 602 CD PRO A 38 51.196 43.688 14.037 1.00 0.00 C ATOM 0 HA PRO A 38 50.587 43.058 16.906 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.220 41.075 14.598 1.00 0.00 H new ATOM 0 HB3 PRO A 38 48.982 41.766 15.627 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.381 42.841 13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.085 43.917 14.529 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.716 43.235 13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.201 44.766 13.874 1.00 0.00 H new ATOM 610 N ASP A 39 52.622 40.629 16.123 1.00 0.00 N ATOM 611 CA ASP A 39 53.300 39.489 16.706 1.00 0.00 C ATOM 612 C ASP A 39 54.297 39.825 17.817 1.00 0.00 C ATOM 613 O ASP A 39 54.737 38.921 18.524 1.00 0.00 O ATOM 614 CB ASP A 39 53.940 38.654 15.601 1.00 0.00 C ATOM 615 CG ASP A 39 55.110 39.372 14.924 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.877 40.096 13.932 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.276 39.164 15.324 1.00 0.00 O ATOM 0 H ASP A 39 52.921 40.847 15.172 1.00 0.00 H new ATOM 0 HA ASP A 39 52.533 38.905 17.215 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.291 37.711 16.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.186 38.410 14.852 1.00 0.00 H new ATOM 622 N GLN A 40 54.628 41.099 18.006 1.00 0.00 N ATOM 623 CA GLN A 40 55.421 41.611 19.105 1.00 0.00 C ATOM 624 C GLN A 40 54.563 42.118 20.265 1.00 0.00 C ATOM 625 O GLN A 40 55.107 42.484 21.304 1.00 0.00 O ATOM 626 CB GLN A 40 56.363 42.708 18.615 1.00 0.00 C ATOM 627 CG GLN A 40 57.476 42.206 17.700 1.00 0.00 C ATOM 628 CD GLN A 40 58.343 43.335 17.137 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.476 44.422 17.694 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.949 43.132 15.971 1.00 0.00 N ATOM 0 H GLN A 40 54.333 41.833 17.362 1.00 0.00 H new ATOM 0 HA GLN A 40 56.009 40.777 19.489 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.782 43.461 18.084 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.811 43.201 19.478 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.108 41.512 18.253 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.036 41.647 16.874 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.850 42.236 15.494 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.513 43.872 15.554 1.00 0.00 H new ATOM 639 N GLN A 41 53.238 42.131 20.144 1.00 0.00 N ATOM 640 CA GLN A 41 52.330 42.636 21.154 1.00 0.00 C ATOM 641 C GLN A 41 51.756 41.494 21.995 1.00 0.00 C ATOM 642 O GLN A 41 51.230 40.530 21.444 1.00 0.00 O ATOM 643 CB GLN A 41 51.192 43.419 20.506 1.00 0.00 C ATOM 644 CG GLN A 41 51.602 44.642 19.690 1.00 0.00 C ATOM 645 CD GLN A 41 50.398 45.216 18.943 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.252 45.095 19.369 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.573 45.847 17.784 1.00 0.00 N ATOM 0 H GLN A 41 52.759 41.779 19.315 1.00 0.00 H new ATOM 0 HA GLN A 41 52.895 43.301 21.808 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.636 42.743 19.856 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.507 43.743 21.290 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.024 45.401 20.349 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.381 44.368 18.979 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.512 45.964 17.404 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.768 46.214 17.276 1.00 0.00 H new ATOM 656 N ARG A 42 51.809 41.614 23.319 1.00 0.00 N ATOM 657 CA ARG A 42 51.186 40.719 24.274 1.00 0.00 C ATOM 658 C ARG A 42 50.201 41.513 25.135 1.00 0.00 C ATOM 659 O ARG A 42 50.576 42.542 25.690 1.00 0.00 O ATOM 660 CB ARG A 42 52.286 40.022 25.071 1.00 0.00 C ATOM 661 CG ARG A 42 51.784 39.137 26.209 1.00 0.00 C ATOM 662 CD ARG A 42 52.948 38.332 26.779 1.00 0.00 C ATOM 663 NE ARG A 42 52.518 37.426 27.843 1.00 0.00 N ATOM 664 CZ ARG A 42 53.173 37.125 28.973 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.407 37.575 29.237 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.600 36.344 29.899 1.00 0.00 N ATOM 0 H ARG A 42 52.313 42.377 23.771 1.00 0.00 H new ATOM 0 HA ARG A 42 50.604 39.938 23.785 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.880 39.413 24.389 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.952 40.779 25.484 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.335 39.751 26.990 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.007 38.465 25.845 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.417 37.757 25.980 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.705 39.014 27.167 1.00 0.00 H new ATOM 0 HE ARG A 42 51.615 36.970 27.710 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.887 38.173 28.564 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.867 37.320 30.111 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.661 35.976 29.746 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.103 36.118 30.757 1.00 0.00 H new ATOM 680 N LEU A 43 48.947 41.074 25.200 1.00 0.00 N ATOM 681 CA LEU A 43 47.842 41.849 25.728 1.00 0.00 C ATOM 682 C LEU A 43 47.201 41.176 26.942 1.00 0.00 C ATOM 683 O LEU A 43 46.741 40.040 26.846 1.00 0.00 O ATOM 684 CB LEU A 43 46.821 42.089 24.620 1.00 0.00 C ATOM 685 CG LEU A 43 47.272 43.000 23.482 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.177 43.045 22.419 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.541 44.426 23.953 1.00 0.00 C ATOM 0 H LEU A 43 48.671 40.147 24.878 1.00 0.00 H new ATOM 0 HA LEU A 43 48.225 42.808 26.076 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.539 41.125 24.197 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.923 42.516 25.067 1.00 0.00 H new ATOM 0 HG LEU A 43 48.201 42.592 23.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.490 43.694 21.601 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.999 42.040 22.037 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.259 43.433 22.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.859 45.035 23.107 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.630 44.846 24.380 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.326 44.417 24.709 1.00 0.00 H new ATOM 699 N ILE A 44 47.146 41.885 28.067 1.00 0.00 N ATOM 700 CA ILE A 44 46.646 41.398 29.336 1.00 0.00 C ATOM 701 C ILE A 44 45.458 42.240 29.809 1.00 0.00 C ATOM 702 O ILE A 44 45.508 43.468 29.812 1.00 0.00 O ATOM 703 CB ILE A 44 47.750 41.355 30.389 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.081 40.763 29.934 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.254 40.624 31.633 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.071 39.296 29.511 1.00 0.00 C ATOM 0 H ILE A 44 47.463 42.853 28.114 1.00 0.00 H new ATOM 0 HA ILE A 44 46.297 40.376 29.190 1.00 0.00 H new ATOM 0 HB ILE A 44 47.970 42.401 30.604 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.448 41.356 29.096 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.800 40.878 30.745 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.047 40.597 32.380 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.389 41.146 32.041 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.971 39.605 31.368 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.075 38.997 29.211 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.744 38.678 30.347 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.387 39.164 28.673 1.00 0.00 H new ATOM 718 N PHE A 45 44.387 41.572 30.227 1.00 0.00 N ATOM 719 CA PHE A 45 43.189 42.167 30.783 1.00 0.00 C ATOM 720 C PHE A 45 42.574 41.272 31.859 1.00 0.00 C ATOM 721 O PHE A 45 42.457 40.064 31.667 1.00 0.00 O ATOM 722 CB PHE A 45 42.187 42.421 29.660 1.00 0.00 C ATOM 723 CG PHE A 45 40.874 43.025 30.098 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.865 44.231 30.810 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.663 42.382 29.813 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.653 44.787 31.236 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.450 42.934 30.241 1.00 0.00 C ATOM 728 CZ PHE A 45 38.445 44.140 30.951 1.00 0.00 C ATOM 0 H PHE A 45 44.334 40.554 30.183 1.00 0.00 H new ATOM 0 HA PHE A 45 43.453 43.112 31.257 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.647 43.083 28.926 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.984 41.477 29.154 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.795 44.733 31.031 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.665 41.455 29.260 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.650 45.717 31.785 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.520 42.430 30.024 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.510 44.571 31.279 1.00 0.00 H new ATOM 738 N ALA A 46 42.175 41.844 32.992 1.00 0.00 N ATOM 739 CA ALA A 46 41.640 41.140 34.140 1.00 0.00 C ATOM 740 C ALA A 46 42.508 39.987 34.647 1.00 0.00 C ATOM 741 O ALA A 46 42.012 38.962 35.109 1.00 0.00 O ATOM 742 CB ALA A 46 40.182 40.779 33.869 1.00 0.00 C ATOM 0 H ALA A 46 42.220 42.853 33.135 1.00 0.00 H new ATOM 0 HA ALA A 46 41.665 41.816 34.995 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.773 40.249 34.729 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.608 41.689 33.697 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.123 40.141 32.987 1.00 0.00 H new ATOM 748 N GLY A 47 43.827 40.124 34.529 1.00 0.00 N ATOM 749 CA GLY A 47 44.805 39.125 34.910 1.00 0.00 C ATOM 750 C GLY A 47 44.861 37.907 33.984 1.00 0.00 C ATOM 751 O GLY A 47 45.405 36.878 34.379 1.00 0.00 O ATOM 0 H GLY A 47 44.253 40.969 34.150 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.790 39.591 34.937 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.585 38.786 35.922 1.00 0.00 H new ATOM 755 N LYS A 48 44.295 38.007 32.786 1.00 0.00 N ATOM 756 CA LYS A 48 44.233 36.984 31.761 1.00 0.00 C ATOM 757 C LYS A 48 44.770 37.513 30.430 1.00 0.00 C ATOM 758 O LYS A 48 44.558 38.675 30.091 1.00 0.00 O ATOM 759 CB LYS A 48 42.793 36.492 31.650 1.00 0.00 C ATOM 760 CG LYS A 48 42.664 35.220 30.818 1.00 0.00 C ATOM 761 CD LYS A 48 41.260 34.624 30.795 1.00 0.00 C ATOM 762 CE LYS A 48 40.685 34.226 32.153 1.00 0.00 C ATOM 763 NZ LYS A 48 41.581 33.351 32.926 1.00 0.00 N ATOM 0 H LYS A 48 43.836 38.869 32.490 1.00 0.00 H new ATOM 0 HA LYS A 48 44.869 36.141 32.033 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.399 36.308 32.649 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.180 37.275 31.205 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.971 35.437 29.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.356 34.474 31.207 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.586 35.346 30.334 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.270 33.743 30.153 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.479 35.127 32.731 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.732 33.718 32.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.129 33.102 33.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.772 32.484 32.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.476 33.848 33.112 1.00 0.00 H new ATOM 777 N GLN A 49 45.451 36.669 29.659 1.00 0.00 N ATOM 778 CA GLN A 49 45.984 37.018 28.357 1.00 0.00 C ATOM 779 C GLN A 49 44.930 36.934 27.252 1.00 0.00 C ATOM 780 O GLN A 49 44.165 35.974 27.206 1.00 0.00 O ATOM 781 CB GLN A 49 47.190 36.126 28.075 1.00 0.00 C ATOM 782 CG GLN A 49 47.861 36.429 26.737 1.00 0.00 C ATOM 783 CD GLN A 49 49.194 35.690 26.617 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.272 36.267 26.737 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.211 34.375 26.414 1.00 0.00 N ATOM 0 H GLN A 49 45.648 35.706 29.932 1.00 0.00 H new ATOM 0 HA GLN A 49 46.300 38.061 28.368 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.919 36.248 28.876 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.874 35.083 28.088 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.202 36.135 25.920 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.026 37.502 26.643 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.335 33.864 26.310 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.100 33.878 26.363 1.00 0.00 H new ATOM 794 N LEU A 50 44.928 37.896 26.332 1.00 0.00 N ATOM 795 CA LEU A 50 44.097 37.891 25.144 1.00 0.00 C ATOM 796 C LEU A 50 44.775 37.107 24.018 1.00 0.00 C ATOM 797 O LEU A 50 45.828 37.506 23.525 1.00 0.00 O ATOM 798 CB LEU A 50 43.774 39.312 24.695 1.00 0.00 C ATOM 799 CG LEU A 50 43.219 40.266 25.749 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.816 41.571 25.068 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.985 39.728 26.467 1.00 0.00 C ATOM 0 H LEU A 50 45.524 38.721 26.400 1.00 0.00 H new ATOM 0 HA LEU A 50 43.157 37.397 25.390 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.683 39.752 24.286 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.053 39.253 23.879 1.00 0.00 H new ATOM 0 HG LEU A 50 44.007 40.402 26.489 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.418 42.261 25.811 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.688 42.016 24.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.054 41.368 24.316 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.645 40.458 27.202 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.192 39.547 25.741 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.236 38.795 26.971 1.00 0.00 H new ATOM 813 N GLU A 51 44.163 36.004 23.597 1.00 0.00 N ATOM 814 CA GLU A 51 44.646 35.175 22.510 1.00 0.00 C ATOM 815 C GLU A 51 44.048 35.577 21.161 1.00 0.00 C ATOM 816 O GLU A 51 42.870 35.911 21.050 1.00 0.00 O ATOM 817 CB GLU A 51 44.374 33.698 22.776 1.00 0.00 C ATOM 818 CG GLU A 51 44.906 33.148 24.097 1.00 0.00 C ATOM 819 CD GLU A 51 46.403 33.320 24.361 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.207 33.500 23.420 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.789 33.241 25.547 1.00 0.00 O ATOM 0 H GLU A 51 43.299 35.659 24.015 1.00 0.00 H new ATOM 0 HA GLU A 51 45.723 35.335 22.460 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.297 33.536 22.745 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.807 33.117 21.962 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.360 33.628 24.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.673 32.084 24.141 1.00 0.00 H new ATOM 828 N ASP A 52 44.855 35.492 20.107 1.00 0.00 N ATOM 829 CA ASP A 52 44.428 35.684 18.736 1.00 0.00 C ATOM 830 C ASP A 52 43.482 34.568 18.288 1.00 0.00 C ATOM 831 O ASP A 52 43.608 33.426 18.725 1.00 0.00 O ATOM 832 CB ASP A 52 45.652 35.767 17.828 1.00 0.00 C ATOM 833 CG ASP A 52 46.674 36.800 18.306 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.377 36.526 19.303 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.781 37.887 17.698 1.00 0.00 O ATOM 0 H ASP A 52 45.849 35.282 20.192 1.00 0.00 H new ATOM 0 HA ASP A 52 43.874 36.620 18.668 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.128 34.788 17.777 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.333 36.019 16.817 1.00 0.00 H new ATOM 840 N GLY A 53 42.538 34.890 17.408 1.00 0.00 N ATOM 841 CA GLY A 53 41.426 34.037 17.040 1.00 0.00 C ATOM 842 C GLY A 53 40.160 34.279 17.864 1.00 0.00 C ATOM 843 O GLY A 53 39.220 33.492 17.780 1.00 0.00 O ATOM 0 H GLY A 53 42.532 35.784 16.918 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.196 34.191 15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.727 32.995 17.152 1.00 0.00 H new ATOM 847 N ARG A 54 40.129 35.347 18.656 1.00 0.00 N ATOM 848 CA ARG A 54 39.026 35.795 19.482 1.00 0.00 C ATOM 849 C ARG A 54 38.586 37.213 19.110 1.00 0.00 C ATOM 850 O ARG A 54 39.237 37.861 18.293 1.00 0.00 O ATOM 851 CB ARG A 54 39.452 35.709 20.945 1.00 0.00 C ATOM 852 CG ARG A 54 39.778 34.314 21.470 1.00 0.00 C ATOM 853 CD ARG A 54 38.557 33.557 21.983 1.00 0.00 C ATOM 854 NE ARG A 54 37.606 33.240 20.916 1.00 0.00 N ATOM 855 CZ ARG A 54 37.534 32.107 20.206 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.360 31.069 20.400 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.603 31.987 19.250 1.00 0.00 N ATOM 0 H ARG A 54 40.937 35.964 18.739 1.00 0.00 H new ATOM 0 HA ARG A 54 38.162 35.151 19.315 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.329 36.341 21.084 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.655 36.129 21.559 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.247 33.735 20.674 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.508 34.399 22.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.881 32.634 22.463 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.057 34.154 22.746 1.00 0.00 H new ATOM 0 HE ARG A 54 36.923 33.962 20.688 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.085 31.121 21.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.264 30.227 19.832 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.957 32.755 19.068 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.541 31.128 18.704 1.00 0.00 H new ATOM 871 N THR A 55 37.512 37.702 19.722 1.00 0.00 N ATOM 872 CA THR A 55 37.056 39.076 19.669 1.00 0.00 C ATOM 873 C THR A 55 37.197 39.799 21.011 1.00 0.00 C ATOM 874 O THR A 55 37.441 39.177 22.042 1.00 0.00 O ATOM 875 CB THR A 55 35.607 39.172 19.198 1.00 0.00 C ATOM 876 OG1 THR A 55 34.760 38.472 20.080 1.00 0.00 O ATOM 877 CG2 THR A 55 35.394 38.600 17.799 1.00 0.00 C ATOM 0 H THR A 55 36.908 37.115 20.297 1.00 0.00 H new ATOM 0 HA THR A 55 37.705 39.570 18.946 1.00 0.00 H new ATOM 0 HB THR A 55 35.370 40.236 19.178 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.091 39.086 20.447 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.344 38.698 17.522 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.010 39.146 17.085 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.675 37.547 17.790 1.00 0.00 H new ATOM 885 N LEU A 56 36.986 41.112 21.030 1.00 0.00 N ATOM 886 CA LEU A 56 36.861 41.870 22.258 1.00 0.00 C ATOM 887 C LEU A 56 35.694 41.388 23.123 1.00 0.00 C ATOM 888 O LEU A 56 35.834 41.272 24.338 1.00 0.00 O ATOM 889 CB LEU A 56 36.717 43.355 21.939 1.00 0.00 C ATOM 890 CG LEU A 56 37.959 44.040 21.375 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.642 45.518 21.166 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.168 43.965 22.303 1.00 0.00 C ATOM 0 H LEU A 56 36.897 41.678 20.186 1.00 0.00 H new ATOM 0 HA LEU A 56 37.770 41.711 22.838 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.903 43.476 21.224 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.421 43.875 22.850 1.00 0.00 H new ATOM 0 HG LEU A 56 38.211 43.522 20.450 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.519 46.025 20.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.812 45.617 20.466 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.368 45.970 22.119 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.014 44.472 21.839 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.930 44.449 23.250 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.424 42.921 22.483 1.00 0.00 H new ATOM 904 N SER A 57 34.564 41.049 22.509 1.00 0.00 N ATOM 905 CA SER A 57 33.400 40.483 23.161 1.00 0.00 C ATOM 906 C SER A 57 33.662 39.116 23.797 1.00 0.00 C ATOM 907 O SER A 57 33.175 38.872 24.899 1.00 0.00 O ATOM 908 CB SER A 57 32.230 40.410 22.185 1.00 0.00 C ATOM 909 OG SER A 57 32.578 39.767 20.979 1.00 0.00 O ATOM 0 H SER A 57 34.435 41.168 21.504 1.00 0.00 H new ATOM 0 HA SER A 57 33.147 41.154 23.982 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.402 39.877 22.653 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.877 41.418 21.968 1.00 0.00 H new ATOM 0 HG SER A 57 31.799 39.742 20.385 1.00 0.00 H new ATOM 915 N ASP A 58 34.491 38.264 23.200 1.00 0.00 N ATOM 916 CA ASP A 58 34.876 36.998 23.789 1.00 0.00 C ATOM 917 C ASP A 58 35.550 37.148 25.155 1.00 0.00 C ATOM 918 O ASP A 58 35.380 36.279 26.007 1.00 0.00 O ATOM 919 CB ASP A 58 35.824 36.220 22.881 1.00 0.00 C ATOM 920 CG ASP A 58 35.178 35.557 21.663 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.048 35.032 21.769 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.853 35.449 20.617 1.00 0.00 O ATOM 0 H ASP A 58 34.914 38.440 22.288 1.00 0.00 H new ATOM 0 HA ASP A 58 33.940 36.454 23.917 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.603 36.898 22.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.315 35.449 23.474 1.00 0.00 H new ATOM 927 N TYR A 59 36.268 38.244 25.383 1.00 0.00 N ATOM 928 CA TYR A 59 36.924 38.570 26.634 1.00 0.00 C ATOM 929 C TYR A 59 36.202 39.637 27.459 1.00 0.00 C ATOM 930 O TYR A 59 36.766 40.137 28.431 1.00 0.00 O ATOM 931 CB TYR A 59 38.389 38.905 26.365 1.00 0.00 C ATOM 932 CG TYR A 59 39.230 37.722 25.951 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.620 36.779 26.910 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.693 37.607 24.635 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.471 35.721 26.566 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.575 36.577 24.287 1.00 0.00 C ATOM 937 CZ TYR A 59 40.960 35.620 25.248 1.00 0.00 C ATOM 938 OH TYR A 59 41.784 34.594 24.890 1.00 0.00 O ATOM 0 H TYR A 59 36.411 38.956 24.667 1.00 0.00 H new ATOM 0 HA TYR A 59 36.879 37.687 27.272 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.439 39.663 25.583 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.820 39.346 27.264 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.261 36.868 27.925 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.369 38.315 23.886 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.751 34.987 27.307 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.961 36.515 23.280 1.00 0.00 H new ATOM 0 HH TYR A 59 41.305 33.984 24.291 1.00 0.00 H new ATOM 948 N ASN A 60 34.950 39.953 27.141 1.00 0.00 N ATOM 949 CA ASN A 60 34.112 40.889 27.861 1.00 0.00 C ATOM 950 C ASN A 60 34.656 42.317 27.945 1.00 0.00 C ATOM 951 O ASN A 60 34.464 43.012 28.939 1.00 0.00 O ATOM 952 CB ASN A 60 33.678 40.289 29.195 1.00 0.00 C ATOM 953 CG ASN A 60 32.287 40.787 29.591 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.116 41.659 30.440 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.254 40.271 28.930 1.00 0.00 N ATOM 0 H ASN A 60 34.476 39.541 26.337 1.00 0.00 H new ATOM 0 HA ASN A 60 33.213 41.037 27.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.673 39.201 29.124 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.398 40.555 29.969 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.308 40.599 29.126 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.408 39.548 28.227 1.00 0.00 H new ATOM 962 N ILE A 61 35.340 42.783 26.904 1.00 0.00 N ATOM 963 CA ILE A 61 35.839 44.140 26.801 1.00 0.00 C ATOM 964 C ILE A 61 34.731 45.057 26.281 1.00 0.00 C ATOM 965 O ILE A 61 33.980 44.690 25.380 1.00 0.00 O ATOM 966 CB ILE A 61 37.125 44.162 25.979 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.221 43.375 26.692 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.584 45.596 25.731 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.459 43.073 25.854 1.00 0.00 C ATOM 0 H ILE A 61 35.565 42.209 26.092 1.00 0.00 H new ATOM 0 HA ILE A 61 36.114 44.531 27.781 1.00 0.00 H new ATOM 0 HB ILE A 61 36.923 43.694 25.015 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.529 43.933 27.576 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.800 42.432 27.040 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.502 45.588 25.143 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.810 46.137 25.187 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.769 46.089 26.685 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.176 42.511 26.453 1.00 0.00 H new ATOM 0 HD12 ILE A 61 39.174 42.484 24.982 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.914 44.008 25.527 1.00 0.00 H new ATOM 981 N GLN A 62 34.604 46.240 26.873 1.00 0.00 N ATOM 982 CA GLN A 62 33.467 47.129 26.745 1.00 0.00 C ATOM 983 C GLN A 62 33.846 48.607 26.642 1.00 0.00 C ATOM 984 O GLN A 62 35.028 48.943 26.614 1.00 0.00 O ATOM 985 CB GLN A 62 32.511 46.840 27.900 1.00 0.00 C ATOM 986 CG GLN A 62 32.974 47.296 29.280 1.00 0.00 C ATOM 987 CD GLN A 62 31.963 46.915 30.364 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.823 47.377 30.379 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.325 46.032 31.289 1.00 0.00 N ATOM 0 H GLN A 62 35.329 46.618 27.483 1.00 0.00 H new ATOM 0 HA GLN A 62 32.971 46.929 25.795 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.555 47.317 27.683 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.330 45.766 27.936 1.00 0.00 H new ATOM 0 HG2 GLN A 62 33.940 46.846 29.508 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.118 48.376 29.278 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.269 45.645 31.283 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.659 45.742 32.005 1.00 0.00 H new ATOM 998 N LYS A 63 32.869 49.508 26.596 1.00 0.00 N ATOM 999 CA LYS A 63 33.059 50.939 26.468 1.00 0.00 C ATOM 1000 C LYS A 63 33.957 51.511 27.567 1.00 0.00 C ATOM 1001 O LYS A 63 33.708 51.287 28.750 1.00 0.00 O ATOM 1002 CB LYS A 63 31.695 51.622 26.416 1.00 0.00 C ATOM 1003 CG LYS A 63 31.732 53.114 26.101 1.00 0.00 C ATOM 1004 CD LYS A 63 30.325 53.684 25.947 1.00 0.00 C ATOM 1005 CE LYS A 63 30.372 55.146 25.511 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.030 55.703 25.281 1.00 0.00 N ATOM 0 H LYS A 63 31.885 49.244 26.650 1.00 0.00 H new ATOM 0 HA LYS A 63 33.587 51.139 25.536 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.084 51.122 25.664 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.198 51.481 27.376 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.256 53.643 26.897 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.296 53.280 25.183 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.770 53.100 25.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.789 53.600 26.892 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.881 55.734 26.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.960 55.232 24.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.112 56.697 24.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.552 55.160 24.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.476 55.647 26.159 1.00 0.00 H new ATOM 1020 N GLU A 64 34.999 52.236 27.171 1.00 0.00 N ATOM 1021 CA GLU A 64 36.002 52.838 28.027 1.00 0.00 C ATOM 1022 C GLU A 64 36.726 51.846 28.939 1.00 0.00 C ATOM 1023 O GLU A 64 37.032 52.140 30.092 1.00 0.00 O ATOM 1024 CB GLU A 64 35.458 54.078 28.730 1.00 0.00 C ATOM 1025 CG GLU A 64 35.055 55.173 27.747 1.00 0.00 C ATOM 1026 CD GLU A 64 34.574 56.423 28.485 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.340 57.406 28.578 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.425 56.428 28.976 1.00 0.00 O ATOM 0 H GLU A 64 35.171 52.427 26.184 1.00 0.00 H new ATOM 0 HA GLU A 64 36.804 53.188 27.377 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.595 53.800 29.335 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.214 54.466 29.413 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.903 55.426 27.111 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.264 54.806 27.093 1.00 0.00 H new ATOM 1035 N SER A 65 37.025 50.659 28.419 1.00 0.00 N ATOM 1036 CA SER A 65 37.899 49.711 29.080 1.00 0.00 C ATOM 1037 C SER A 65 39.373 50.102 28.958 1.00 0.00 C ATOM 1038 O SER A 65 39.786 50.632 27.929 1.00 0.00 O ATOM 1039 CB SER A 65 37.743 48.299 28.522 1.00 0.00 C ATOM 1040 OG SER A 65 36.398 47.880 28.584 1.00 0.00 O ATOM 0 H SER A 65 36.663 50.332 27.523 1.00 0.00 H new ATOM 0 HA SER A 65 37.599 49.729 30.128 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.090 48.271 27.489 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.370 47.609 29.087 1.00 0.00 H new ATOM 0 HG SER A 65 35.832 48.527 28.114 1.00 0.00 H new ATOM 1046 N THR A 66 40.179 49.765 29.963 1.00 0.00 N ATOM 1047 CA THR A 66 41.623 49.861 29.912 1.00 0.00 C ATOM 1048 C THR A 66 42.233 48.489 29.623 1.00 0.00 C ATOM 1049 O THR A 66 41.767 47.480 30.146 1.00 0.00 O ATOM 1050 CB THR A 66 42.195 50.479 31.185 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.809 51.832 31.271 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.720 50.515 31.217 1.00 0.00 C ATOM 0 H THR A 66 39.830 49.410 30.853 1.00 0.00 H new ATOM 0 HA THR A 66 41.891 50.532 29.096 1.00 0.00 H new ATOM 0 HB THR A 66 41.817 49.856 31.995 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.176 52.226 32.090 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.054 50.967 32.151 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.109 49.499 31.146 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.088 51.104 30.377 1.00 0.00 H new ATOM 1060 N LEU A 67 43.271 48.446 28.792 1.00 0.00 N ATOM 1061 CA LEU A 67 43.955 47.260 28.318 1.00 0.00 C ATOM 1062 C LEU A 67 45.468 47.434 28.457 1.00 0.00 C ATOM 1063 O LEU A 67 45.990 48.501 28.141 1.00 0.00 O ATOM 1064 CB LEU A 67 43.525 47.050 26.869 1.00 0.00 C ATOM 1065 CG LEU A 67 44.181 45.879 26.142 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.885 44.550 26.832 1.00 0.00 C ATOM 1067 CD2 LEU A 67 43.658 45.800 24.710 1.00 0.00 C ATOM 0 H LEU A 67 43.679 49.299 28.410 1.00 0.00 H new ATOM 0 HA LEU A 67 43.694 46.380 28.906 1.00 0.00 H new ATOM 0 HB2 LEU A 67 42.445 46.906 26.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.736 47.963 26.312 1.00 0.00 H new ATOM 0 HG LEU A 67 45.257 46.052 26.153 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.369 43.741 26.285 1.00 0.00 H new ATOM 0 HD12 LEU A 67 44.266 44.577 27.853 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.808 44.382 26.851 1.00 0.00 H new ATOM 0 HD21 LEU A 67 44.130 44.962 24.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.578 45.655 24.725 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.893 46.726 24.185 1.00 0.00 H new ATOM 1079 N HIS A 68 46.193 46.408 28.897 1.00 0.00 N ATOM 1080 CA HIS A 68 47.609 46.495 29.191 1.00 0.00 C ATOM 1081 C HIS A 68 48.449 45.761 28.145 1.00 0.00 C ATOM 1082 O HIS A 68 48.170 44.610 27.816 1.00 0.00 O ATOM 1083 CB HIS A 68 47.863 45.999 30.612 1.00 0.00 C ATOM 1084 CG HIS A 68 47.127 46.802 31.650 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.619 47.941 32.284 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.841 46.587 32.072 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.620 48.411 33.035 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.540 47.618 32.939 1.00 0.00 N ATOM 0 H HIS A 68 45.800 45.481 29.060 1.00 0.00 H new ATOM 0 HA HIS A 68 47.924 47.537 29.138 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.562 44.954 30.687 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.932 46.038 30.820 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.192 45.773 31.784 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.673 49.306 33.637 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.652 47.754 33.423 1.00 0.00 H new ATOM 1096 N LEU A 69 49.478 46.424 27.623 1.00 0.00 N ATOM 1097 CA LEU A 69 50.373 45.936 26.594 1.00 0.00 C ATOM 1098 C LEU A 69 51.773 45.665 27.147 1.00 0.00 C ATOM 1099 O LEU A 69 52.345 46.526 27.811 1.00 0.00 O ATOM 1100 CB LEU A 69 50.393 46.965 25.467 1.00 0.00 C ATOM 1101 CG LEU A 69 51.413 46.730 24.357 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.158 45.456 23.557 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.375 47.901 23.378 1.00 0.00 C ATOM 0 H LEU A 69 49.717 47.367 27.928 1.00 0.00 H new ATOM 0 HA LEU A 69 50.017 44.980 26.211 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.400 47.000 25.018 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.581 47.946 25.903 1.00 0.00 H new ATOM 0 HG LEU A 69 52.381 46.633 24.849 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.921 45.352 22.785 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.196 44.594 24.223 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.174 45.510 23.090 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.103 47.735 22.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.378 47.981 22.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.617 48.824 23.905 1.00 0.00 H new ATOM 1115 N VAL A 70 52.343 44.504 26.836 1.00 0.00 N ATOM 1116 CA VAL A 70 53.712 44.120 27.118 1.00 0.00 C ATOM 1117 C VAL A 70 54.373 43.501 25.885 1.00 0.00 C ATOM 1118 O VAL A 70 53.702 43.234 24.891 1.00 0.00 O ATOM 1119 CB VAL A 70 53.815 43.230 28.354 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.122 43.829 29.574 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.270 41.819 28.157 1.00 0.00 C ATOM 0 H VAL A 70 51.828 43.768 26.353 1.00 0.00 H new ATOM 0 HA VAL A 70 54.269 45.026 27.357 1.00 0.00 H new ATOM 0 HB VAL A 70 54.890 43.168 28.524 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.228 43.152 30.422 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.578 44.789 29.817 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.064 43.975 29.356 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.381 41.253 29.082 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.215 41.871 27.888 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.824 41.323 27.360 1.00 0.00 H new