USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.795 (180deg=-0.0171) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -52:sc= 0.233 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.621) USER MOD Single : A 20 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.1!) USER MOD Single : A 25 ASN : amide:sc=-0.00653 X(o=-0.0065,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= -0.0428 (180deg=-0.381) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 44 SER OG : rot 80:sc= 0.63 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.106 (180deg=-0.239) USER MOD Single : A 48 GLN : amide:sc=-0.00459 X(o=-0.0046,f=-0.0046) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.478 1.784 -5.745 1.00 60.40 N ATOM 2 CA MET A 1 4.628 1.507 -4.892 1.00 1.51 C ATOM 3 C MET A 1 4.328 0.365 -3.927 1.00 75.44 C ATOM 4 O MET A 1 3.178 0.151 -3.542 1.00 44.22 O ATOM 5 CB MET A 1 5.022 2.761 -4.109 1.00 12.24 C ATOM 6 CG MET A 1 3.936 3.254 -3.165 1.00 44.34 C ATOM 7 SD MET A 1 2.819 4.433 -3.948 1.00 42.51 S ATOM 8 CE MET A 1 3.392 5.971 -3.230 1.00 24.11 C ATOM 0 H1 MET A 1 3.797 1.916 -6.726 1.00 60.40 H new ATOM 0 H2 MET A 1 2.813 0.985 -5.702 1.00 60.40 H new ATOM 0 H3 MET A 1 3.002 2.648 -5.416 1.00 60.40 H new ATOM 0 HA MET A 1 5.459 1.209 -5.531 1.00 1.51 H new ATOM 0 HB2 MET A 1 5.924 2.552 -3.534 1.00 12.24 H new ATOM 0 HB3 MET A 1 5.269 3.556 -4.812 1.00 12.24 H new ATOM 0 HG2 MET A 1 3.362 2.402 -2.801 1.00 44.34 H new ATOM 0 HG3 MET A 1 4.400 3.721 -2.296 1.00 44.34 H new ATOM 0 HE1 MET A 1 2.797 6.798 -3.618 1.00 24.11 H new ATOM 0 HE2 MET A 1 3.289 5.927 -2.146 1.00 24.11 H new ATOM 0 HE3 MET A 1 4.440 6.125 -3.489 1.00 24.11 H new ATOM 18 N ALA A 2 5.368 -0.367 -3.541 1.00 74.25 N ATOM 19 CA ALA A 2 5.214 -1.487 -2.621 1.00 4.22 C ATOM 20 C ALA A 2 6.127 -1.330 -1.409 1.00 63.34 C ATOM 21 O ALA A 2 6.595 -2.316 -0.841 1.00 43.01 O ATOM 22 CB ALA A 2 5.501 -2.800 -3.334 1.00 43.32 C ATOM 0 H ALA A 2 6.326 -0.204 -3.851 1.00 74.25 H new ATOM 0 HA ALA A 2 4.183 -1.497 -2.268 1.00 4.22 H new ATOM 0 HB1 ALA A 2 5.382 -3.627 -2.635 1.00 43.32 H new ATOM 0 HB2 ALA A 2 4.805 -2.923 -4.164 1.00 43.32 H new ATOM 0 HB3 ALA A 2 6.522 -2.791 -3.715 1.00 43.32 H new ATOM 28 N GLY A 3 6.377 -0.084 -1.019 1.00 44.14 N ATOM 29 CA GLY A 3 7.234 0.178 0.122 1.00 44.40 C ATOM 30 C GLY A 3 8.705 0.017 -0.208 1.00 40.31 C ATOM 31 O GLY A 3 9.479 0.969 -0.108 1.00 2.33 O ATOM 0 H GLY A 3 6.001 0.749 -1.473 1.00 44.14 H new ATOM 0 HA2 GLY A 3 7.054 1.191 0.482 1.00 44.40 H new ATOM 0 HA3 GLY A 3 6.971 -0.500 0.934 1.00 44.40 H new ATOM 35 N PHE A 4 9.093 -1.191 -0.602 1.00 35.43 N ATOM 36 CA PHE A 4 10.481 -1.475 -0.945 1.00 41.11 C ATOM 37 C PHE A 4 10.943 -0.601 -2.107 1.00 45.31 C ATOM 38 O PHE A 4 11.921 0.140 -1.991 1.00 54.41 O ATOM 39 CB PHE A 4 10.648 -2.952 -1.306 1.00 30.51 C ATOM 40 CG PHE A 4 12.055 -3.324 -1.677 1.00 42.44 C ATOM 41 CD1 PHE A 4 12.525 -3.113 -2.964 1.00 13.32 C ATOM 42 CD2 PHE A 4 12.909 -3.883 -0.740 1.00 54.11 C ATOM 43 CE1 PHE A 4 13.819 -3.454 -3.308 1.00 72.13 C ATOM 44 CE2 PHE A 4 14.204 -4.226 -1.079 1.00 1.03 C ATOM 45 CZ PHE A 4 14.660 -4.010 -2.364 1.00 70.24 C ATOM 0 H PHE A 4 8.465 -1.990 -0.692 1.00 35.43 H new ATOM 0 HA PHE A 4 11.098 -1.249 -0.075 1.00 41.11 H new ATOM 0 HB2 PHE A 4 10.330 -3.562 -0.461 1.00 30.51 H new ATOM 0 HB3 PHE A 4 9.986 -3.191 -2.138 1.00 30.51 H new ATOM 0 HD1 PHE A 4 11.872 -2.677 -3.706 1.00 13.32 H new ATOM 0 HD2 PHE A 4 12.558 -4.053 0.267 1.00 54.11 H new ATOM 0 HE1 PHE A 4 14.173 -3.286 -4.315 1.00 72.13 H new ATOM 0 HE2 PHE A 4 14.859 -4.663 -0.339 1.00 1.03 H new ATOM 0 HZ PHE A 4 15.672 -4.275 -2.631 1.00 70.24 H new ATOM 55 N LEU A 5 10.235 -0.693 -3.227 1.00 42.01 N ATOM 56 CA LEU A 5 10.572 0.089 -4.412 1.00 20.30 C ATOM 57 C LEU A 5 10.620 1.578 -4.086 1.00 50.02 C ATOM 58 O LEU A 5 11.317 2.347 -4.748 1.00 1.50 O ATOM 59 CB LEU A 5 9.554 -0.169 -5.524 1.00 34.32 C ATOM 60 CG LEU A 5 9.715 -1.483 -6.290 1.00 15.21 C ATOM 61 CD1 LEU A 5 11.122 -1.604 -6.852 1.00 44.32 C ATOM 62 CD2 LEU A 5 9.394 -2.668 -5.390 1.00 50.43 C ATOM 0 H LEU A 5 9.424 -1.301 -3.340 1.00 42.01 H new ATOM 0 HA LEU A 5 11.560 -0.221 -4.753 1.00 20.30 H new ATOM 0 HB2 LEU A 5 8.555 -0.146 -5.087 1.00 34.32 H new ATOM 0 HB3 LEU A 5 9.609 0.653 -6.237 1.00 34.32 H new ATOM 0 HG LEU A 5 9.012 -1.484 -7.123 1.00 15.21 H new ATOM 0 HD11 LEU A 5 11.218 -2.545 -7.394 1.00 44.32 H new ATOM 0 HD12 LEU A 5 11.315 -0.773 -7.531 1.00 44.32 H new ATOM 0 HD13 LEU A 5 11.843 -1.581 -6.035 1.00 44.32 H new ATOM 0 HD21 LEU A 5 9.514 -3.594 -5.952 1.00 50.43 H new ATOM 0 HD22 LEU A 5 10.072 -2.671 -4.537 1.00 50.43 H new ATOM 0 HD23 LEU A 5 8.366 -2.588 -5.036 1.00 50.43 H new ATOM 74 N LYS A 6 9.876 1.978 -3.061 1.00 11.32 N ATOM 75 CA LYS A 6 9.835 3.375 -2.643 1.00 62.25 C ATOM 76 C LYS A 6 11.100 3.751 -1.878 1.00 34.15 C ATOM 77 O LYS A 6 11.801 4.694 -2.243 1.00 3.12 O ATOM 78 CB LYS A 6 8.603 3.633 -1.773 1.00 22.30 C ATOM 79 CG LYS A 6 8.614 4.989 -1.090 1.00 3.13 C ATOM 80 CD LYS A 6 7.207 5.527 -0.894 1.00 74.50 C ATOM 81 CE LYS A 6 6.453 4.742 0.169 1.00 4.14 C ATOM 82 NZ LYS A 6 5.157 5.386 0.520 1.00 43.31 N ATOM 0 H LYS A 6 9.292 1.354 -2.504 1.00 11.32 H new ATOM 0 HA LYS A 6 9.775 3.995 -3.538 1.00 62.25 H new ATOM 0 HB2 LYS A 6 7.709 3.554 -2.392 1.00 22.30 H new ATOM 0 HB3 LYS A 6 8.535 2.854 -1.014 1.00 22.30 H new ATOM 0 HG2 LYS A 6 9.111 4.906 -0.123 1.00 3.13 H new ATOM 0 HG3 LYS A 6 9.194 5.693 -1.687 1.00 3.13 H new ATOM 0 HD2 LYS A 6 7.255 6.577 -0.607 1.00 74.50 H new ATOM 0 HD3 LYS A 6 6.663 5.479 -1.837 1.00 74.50 H new ATOM 0 HE2 LYS A 6 6.270 3.729 -0.189 1.00 4.14 H new ATOM 0 HE3 LYS A 6 7.070 4.657 1.063 1.00 4.14 H new ATOM 0 HZ1 LYS A 6 4.674 4.821 1.247 1.00 43.31 H new ATOM 0 HZ2 LYS A 6 5.333 6.343 0.886 1.00 43.31 H new ATOM 0 HZ3 LYS A 6 4.557 5.444 -0.328 1.00 43.31 H new ATOM 96 N VAL A 7 11.385 3.006 -0.814 1.00 45.22 N ATOM 97 CA VAL A 7 12.567 3.260 0.002 1.00 70.04 C ATOM 98 C VAL A 7 13.842 3.132 -0.824 1.00 24.24 C ATOM 99 O VAL A 7 14.883 3.686 -0.469 1.00 31.15 O ATOM 100 CB VAL A 7 12.642 2.291 1.197 1.00 44.42 C ATOM 101 CG1 VAL A 7 11.478 2.524 2.147 1.00 11.33 C ATOM 102 CG2 VAL A 7 12.666 0.849 0.713 1.00 41.52 C ATOM 0 H VAL A 7 10.814 2.222 -0.497 1.00 45.22 H new ATOM 0 HA VAL A 7 12.481 4.280 0.376 1.00 70.04 H new ATOM 0 HB VAL A 7 13.567 2.483 1.741 1.00 44.42 H new ATOM 0 HG11 VAL A 7 11.548 1.830 2.985 1.00 11.33 H new ATOM 0 HG12 VAL A 7 11.512 3.548 2.520 1.00 11.33 H new ATOM 0 HG13 VAL A 7 10.539 2.361 1.618 1.00 11.33 H new ATOM 0 HG21 VAL A 7 12.719 0.178 1.571 1.00 41.52 H new ATOM 0 HG22 VAL A 7 11.759 0.641 0.145 1.00 41.52 H new ATOM 0 HG23 VAL A 7 13.537 0.693 0.076 1.00 41.52 H new ATOM 112 N VAL A 8 13.755 2.397 -1.928 1.00 52.52 N ATOM 113 CA VAL A 8 14.902 2.197 -2.806 1.00 54.31 C ATOM 114 C VAL A 8 15.025 3.332 -3.817 1.00 11.25 C ATOM 115 O VAL A 8 16.112 3.611 -4.321 1.00 2.11 O ATOM 116 CB VAL A 8 14.802 0.859 -3.563 1.00 4.42 C ATOM 117 CG1 VAL A 8 15.983 0.691 -4.508 1.00 14.34 C ATOM 118 CG2 VAL A 8 14.723 -0.302 -2.583 1.00 45.32 C ATOM 0 H VAL A 8 12.902 1.930 -2.236 1.00 52.52 H new ATOM 0 HA VAL A 8 15.788 2.182 -2.171 1.00 54.31 H new ATOM 0 HB VAL A 8 13.889 0.865 -4.158 1.00 4.42 H new ATOM 0 HG11 VAL A 8 15.896 -0.260 -5.034 1.00 14.34 H new ATOM 0 HG12 VAL A 8 15.989 1.507 -5.231 1.00 14.34 H new ATOM 0 HG13 VAL A 8 16.911 0.705 -3.937 1.00 14.34 H new ATOM 0 HG21 VAL A 8 14.653 -1.240 -3.135 1.00 45.32 H new ATOM 0 HG22 VAL A 8 15.617 -0.314 -1.960 1.00 45.32 H new ATOM 0 HG23 VAL A 8 13.842 -0.186 -1.951 1.00 45.32 H new ATOM 128 N GLN A 9 13.903 3.983 -4.107 1.00 1.34 N ATOM 129 CA GLN A 9 13.886 5.089 -5.058 1.00 30.45 C ATOM 130 C GLN A 9 14.710 6.264 -4.541 1.00 73.32 C ATOM 131 O GLN A 9 15.264 7.038 -5.323 1.00 23.34 O ATOM 132 CB GLN A 9 12.448 5.537 -5.325 1.00 61.31 C ATOM 133 CG GLN A 9 11.738 4.705 -6.381 1.00 42.12 C ATOM 134 CD GLN A 9 11.847 5.307 -7.768 1.00 65.24 C ATOM 135 OE1 GLN A 9 12.931 5.363 -8.350 1.00 25.23 O ATOM 136 NE2 GLN A 9 10.722 5.761 -8.307 1.00 70.13 N ATOM 0 H GLN A 9 12.995 3.764 -3.698 1.00 1.34 H new ATOM 0 HA GLN A 9 14.330 4.741 -5.991 1.00 30.45 H new ATOM 0 HB2 GLN A 9 11.882 5.488 -4.395 1.00 61.31 H new ATOM 0 HB3 GLN A 9 12.454 6.581 -5.640 1.00 61.31 H new ATOM 0 HG2 GLN A 9 12.160 3.700 -6.391 1.00 42.12 H new ATOM 0 HG3 GLN A 9 10.686 4.606 -6.114 1.00 42.12 H new ATOM 0 HE21 GLN A 9 9.846 5.695 -7.790 1.00 70.13 H new ATOM 0 HE22 GLN A 9 10.734 6.176 -9.239 1.00 70.13 H new ATOM 145 N LEU A 10 14.785 6.392 -3.221 1.00 63.12 N ATOM 146 CA LEU A 10 15.542 7.474 -2.600 1.00 35.44 C ATOM 147 C LEU A 10 17.042 7.220 -2.705 1.00 71.23 C ATOM 148 O LEU A 10 17.834 8.156 -2.825 1.00 72.33 O ATOM 149 CB LEU A 10 15.140 7.624 -1.131 1.00 44.52 C ATOM 150 CG LEU A 10 13.882 8.450 -0.861 1.00 4.55 C ATOM 151 CD1 LEU A 10 14.077 9.886 -1.323 1.00 13.11 C ATOM 152 CD2 LEU A 10 12.676 7.826 -1.547 1.00 24.23 C ATOM 0 H LEU A 10 14.332 5.761 -2.560 1.00 63.12 H new ATOM 0 HA LEU A 10 15.311 8.398 -3.131 1.00 35.44 H new ATOM 0 HB2 LEU A 10 14.994 6.629 -0.711 1.00 44.52 H new ATOM 0 HB3 LEU A 10 15.971 8.078 -0.592 1.00 44.52 H new ATOM 0 HG LEU A 10 13.699 8.457 0.214 1.00 4.55 H new ATOM 0 HD11 LEU A 10 13.171 10.459 -1.123 1.00 13.11 H new ATOM 0 HD12 LEU A 10 14.914 10.331 -0.785 1.00 13.11 H new ATOM 0 HD13 LEU A 10 14.285 9.899 -2.393 1.00 13.11 H new ATOM 0 HD21 LEU A 10 11.790 8.428 -1.344 1.00 24.23 H new ATOM 0 HD22 LEU A 10 12.849 7.787 -2.622 1.00 24.23 H new ATOM 0 HD23 LEU A 10 12.524 6.816 -1.167 1.00 24.23 H new ATOM 164 N LEU A 11 17.426 5.949 -2.662 1.00 60.12 N ATOM 165 CA LEU A 11 18.832 5.571 -2.755 1.00 50.04 C ATOM 166 C LEU A 11 19.457 6.111 -4.038 1.00 20.12 C ATOM 167 O LEU A 11 20.670 6.305 -4.115 1.00 72.20 O ATOM 168 CB LEU A 11 18.976 4.049 -2.706 1.00 73.10 C ATOM 169 CG LEU A 11 19.151 3.436 -1.316 1.00 44.12 C ATOM 170 CD1 LEU A 11 20.398 3.988 -0.643 1.00 45.02 C ATOM 171 CD2 LEU A 11 17.921 3.696 -0.459 1.00 41.32 C ATOM 0 H LEU A 11 16.784 5.163 -2.563 1.00 60.12 H new ATOM 0 HA LEU A 11 19.357 6.007 -1.905 1.00 50.04 H new ATOM 0 HB2 LEU A 11 18.094 3.606 -3.168 1.00 73.10 H new ATOM 0 HB3 LEU A 11 19.833 3.765 -3.317 1.00 73.10 H new ATOM 0 HG LEU A 11 19.270 2.358 -1.428 1.00 44.12 H new ATOM 0 HD11 LEU A 11 20.506 3.541 0.345 1.00 45.02 H new ATOM 0 HD12 LEU A 11 21.273 3.750 -1.247 1.00 45.02 H new ATOM 0 HD13 LEU A 11 20.309 5.070 -0.544 1.00 45.02 H new ATOM 0 HD21 LEU A 11 18.064 3.252 0.526 1.00 41.32 H new ATOM 0 HD22 LEU A 11 17.771 4.771 -0.355 1.00 41.32 H new ATOM 0 HD23 LEU A 11 17.046 3.251 -0.934 1.00 41.32 H new ATOM 183 N ALA A 12 18.620 6.353 -5.041 1.00 41.53 N ATOM 184 CA ALA A 12 19.090 6.875 -6.319 1.00 11.23 C ATOM 185 C ALA A 12 19.946 8.121 -6.121 1.00 44.32 C ATOM 186 O ALA A 12 20.943 8.320 -6.817 1.00 74.41 O ATOM 187 CB ALA A 12 17.910 7.182 -7.229 1.00 64.05 C ATOM 0 H ALA A 12 17.613 6.196 -4.994 1.00 41.53 H new ATOM 0 HA ALA A 12 19.709 6.112 -6.790 1.00 11.23 H new ATOM 0 HB1 ALA A 12 18.275 7.571 -8.180 1.00 64.05 H new ATOM 0 HB2 ALA A 12 17.339 6.270 -7.405 1.00 64.05 H new ATOM 0 HB3 ALA A 12 17.269 7.925 -6.755 1.00 64.05 H new ATOM 193 N LYS A 13 19.552 8.960 -5.169 1.00 22.43 N ATOM 194 CA LYS A 13 20.284 10.187 -4.878 1.00 55.14 C ATOM 195 C LYS A 13 21.674 9.876 -4.333 1.00 53.21 C ATOM 196 O LYS A 13 22.623 10.626 -4.562 1.00 11.30 O ATOM 197 CB LYS A 13 19.509 11.041 -3.872 1.00 74.11 C ATOM 198 CG LYS A 13 19.555 10.501 -2.453 1.00 74.33 C ATOM 199 CD LYS A 13 20.673 11.142 -1.649 1.00 31.54 C ATOM 200 CE LYS A 13 20.192 12.386 -0.919 1.00 14.14 C ATOM 201 NZ LYS A 13 19.551 12.052 0.384 1.00 52.44 N ATOM 0 H LYS A 13 18.729 8.812 -4.585 1.00 22.43 H new ATOM 0 HA LYS A 13 20.395 10.743 -5.809 1.00 55.14 H new ATOM 0 HB2 LYS A 13 19.913 12.053 -3.880 1.00 74.11 H new ATOM 0 HB3 LYS A 13 18.469 11.110 -4.192 1.00 74.11 H new ATOM 0 HG2 LYS A 13 18.600 10.686 -1.961 1.00 74.33 H new ATOM 0 HG3 LYS A 13 19.697 9.421 -2.478 1.00 74.33 H new ATOM 0 HD2 LYS A 13 21.062 10.423 -0.928 1.00 31.54 H new ATOM 0 HD3 LYS A 13 21.496 11.404 -2.314 1.00 31.54 H new ATOM 0 HE2 LYS A 13 21.035 13.055 -0.748 1.00 14.14 H new ATOM 0 HE3 LYS A 13 19.481 12.923 -1.547 1.00 14.14 H new ATOM 0 HZ1 LYS A 13 19.237 12.927 0.851 1.00 52.44 H new ATOM 0 HZ2 LYS A 13 18.731 11.434 0.219 1.00 52.44 H new ATOM 0 HZ3 LYS A 13 20.237 11.562 0.993 1.00 52.44 H new ATOM 215 N TYR A 14 21.787 8.766 -3.613 1.00 32.12 N ATOM 216 CA TYR A 14 23.061 8.357 -3.034 1.00 62.44 C ATOM 217 C TYR A 14 23.980 7.769 -4.101 1.00 72.41 C ATOM 218 O TYR A 14 25.202 7.878 -4.013 1.00 20.41 O ATOM 219 CB TYR A 14 22.834 7.333 -1.920 1.00 43.34 C ATOM 220 CG TYR A 14 22.492 7.957 -0.586 1.00 62.40 C ATOM 221 CD1 TYR A 14 23.474 8.550 0.198 1.00 53.20 C ATOM 222 CD2 TYR A 14 21.187 7.953 -0.110 1.00 32.22 C ATOM 223 CE1 TYR A 14 23.166 9.120 1.418 1.00 14.10 C ATOM 224 CE2 TYR A 14 20.869 8.522 1.108 1.00 23.35 C ATOM 225 CZ TYR A 14 21.862 9.104 1.869 1.00 61.42 C ATOM 226 OH TYR A 14 21.551 9.672 3.083 1.00 71.40 O ATOM 0 H TYR A 14 21.012 8.133 -3.416 1.00 32.12 H new ATOM 0 HA TYR A 14 23.541 9.241 -2.613 1.00 62.44 H new ATOM 0 HB2 TYR A 14 22.028 6.661 -2.215 1.00 43.34 H new ATOM 0 HB3 TYR A 14 23.732 6.725 -1.808 1.00 43.34 H new ATOM 0 HD1 TYR A 14 24.495 8.566 -0.152 1.00 53.20 H new ATOM 0 HD2 TYR A 14 20.407 7.497 -0.702 1.00 32.22 H new ATOM 0 HE1 TYR A 14 23.942 9.576 2.016 1.00 14.10 H new ATOM 0 HE2 TYR A 14 19.849 8.511 1.463 1.00 23.35 H new ATOM 0 HH TYR A 14 20.590 9.577 3.252 1.00 71.40 H new ATOM 236 N GLY A 15 23.380 7.144 -5.111 1.00 3.44 N ATOM 237 CA GLY A 15 24.158 6.548 -6.181 1.00 40.31 C ATOM 238 C GLY A 15 23.694 5.147 -6.524 1.00 31.42 C ATOM 239 O GLY A 15 22.564 4.767 -6.216 1.00 50.03 O ATOM 0 H GLY A 15 22.370 7.040 -5.206 1.00 3.44 H new ATOM 0 HA2 GLY A 15 24.091 7.177 -7.069 1.00 40.31 H new ATOM 0 HA3 GLY A 15 25.208 6.519 -5.890 1.00 40.31 H new ATOM 243 N SER A 16 24.567 4.376 -7.164 1.00 21.30 N ATOM 244 CA SER A 16 24.239 3.010 -7.554 1.00 34.50 C ATOM 245 C SER A 16 25.049 2.003 -6.743 1.00 2.21 C ATOM 246 O SER A 16 25.346 0.904 -7.212 1.00 55.11 O ATOM 247 CB SER A 16 24.500 2.806 -9.048 1.00 13.33 C ATOM 248 OG SER A 16 23.864 1.631 -9.521 1.00 43.52 O ATOM 0 H SER A 16 25.507 4.674 -7.424 1.00 21.30 H new ATOM 0 HA SER A 16 23.181 2.846 -7.352 1.00 34.50 H new ATOM 0 HB2 SER A 16 24.136 3.669 -9.605 1.00 13.33 H new ATOM 0 HB3 SER A 16 25.573 2.740 -9.227 1.00 13.33 H new ATOM 0 HG SER A 16 24.108 0.874 -8.949 1.00 43.52 H new ATOM 254 N LYS A 17 25.405 2.387 -5.522 1.00 4.12 N ATOM 255 CA LYS A 17 26.181 1.520 -4.642 1.00 52.24 C ATOM 256 C LYS A 17 25.369 1.126 -3.413 1.00 32.11 C ATOM 257 O LYS A 17 25.432 -0.015 -2.956 1.00 14.12 O ATOM 258 CB LYS A 17 27.472 2.220 -4.211 1.00 73.13 C ATOM 259 CG LYS A 17 28.431 2.488 -5.358 1.00 54.13 C ATOM 260 CD LYS A 17 29.436 3.571 -5.003 1.00 71.32 C ATOM 261 CE LYS A 17 30.168 4.078 -6.236 1.00 74.04 C ATOM 262 NZ LYS A 17 29.232 4.670 -7.232 1.00 72.34 N ATOM 0 H LYS A 17 25.169 3.294 -5.119 1.00 4.12 H new ATOM 0 HA LYS A 17 26.433 0.615 -5.195 1.00 52.24 H new ATOM 0 HB2 LYS A 17 27.220 3.166 -3.731 1.00 73.13 H new ATOM 0 HB3 LYS A 17 27.975 1.607 -3.463 1.00 73.13 H new ATOM 0 HG2 LYS A 17 28.959 1.570 -5.614 1.00 54.13 H new ATOM 0 HG3 LYS A 17 27.868 2.788 -6.242 1.00 54.13 H new ATOM 0 HD2 LYS A 17 28.922 4.400 -4.517 1.00 71.32 H new ATOM 0 HD3 LYS A 17 30.157 3.179 -4.286 1.00 71.32 H new ATOM 0 HE2 LYS A 17 30.904 4.826 -5.940 1.00 74.04 H new ATOM 0 HE3 LYS A 17 30.716 3.256 -6.697 1.00 74.04 H new ATOM 0 HZ1 LYS A 17 29.747 5.344 -7.834 1.00 72.34 H new ATOM 0 HZ2 LYS A 17 28.831 3.914 -7.823 1.00 72.34 H new ATOM 0 HZ3 LYS A 17 28.464 5.166 -6.735 1.00 72.34 H new ATOM 276 N ALA A 18 24.606 2.077 -2.883 1.00 60.43 N ATOM 277 CA ALA A 18 23.779 1.827 -1.709 1.00 60.02 C ATOM 278 C ALA A 18 22.458 1.171 -2.097 1.00 64.34 C ATOM 279 O ALA A 18 21.844 0.467 -1.296 1.00 22.42 O ATOM 280 CB ALA A 18 23.525 3.125 -0.957 1.00 74.02 C ATOM 0 H ALA A 18 24.544 3.027 -3.248 1.00 60.43 H new ATOM 0 HA ALA A 18 24.317 1.140 -1.056 1.00 60.02 H new ATOM 0 HB1 ALA A 18 22.906 2.924 -0.083 1.00 74.02 H new ATOM 0 HB2 ALA A 18 24.476 3.553 -0.638 1.00 74.02 H new ATOM 0 HB3 ALA A 18 23.011 3.830 -1.611 1.00 74.02 H new ATOM 286 N VAL A 19 22.026 1.407 -3.332 1.00 61.51 N ATOM 287 CA VAL A 19 20.778 0.838 -3.827 1.00 20.22 C ATOM 288 C VAL A 19 20.912 -0.663 -4.058 1.00 72.14 C ATOM 289 O VAL A 19 19.926 -1.398 -4.012 1.00 53.12 O ATOM 290 CB VAL A 19 20.336 1.511 -5.139 1.00 53.34 C ATOM 291 CG1 VAL A 19 21.381 1.305 -6.225 1.00 24.35 C ATOM 292 CG2 VAL A 19 18.983 0.976 -5.583 1.00 15.03 C ATOM 0 H VAL A 19 22.522 1.988 -4.008 1.00 61.51 H new ATOM 0 HA VAL A 19 20.022 1.019 -3.062 1.00 20.22 H new ATOM 0 HB VAL A 19 20.238 2.582 -4.961 1.00 53.34 H new ATOM 0 HG11 VAL A 19 21.050 1.788 -7.144 1.00 24.35 H new ATOM 0 HG12 VAL A 19 22.328 1.741 -5.906 1.00 24.35 H new ATOM 0 HG13 VAL A 19 21.515 0.238 -6.403 1.00 24.35 H new ATOM 0 HG21 VAL A 19 18.686 1.463 -6.512 1.00 15.03 H new ATOM 0 HG22 VAL A 19 19.052 -0.100 -5.743 1.00 15.03 H new ATOM 0 HG23 VAL A 19 18.240 1.181 -4.812 1.00 15.03 H new ATOM 302 N GLN A 20 22.138 -1.111 -4.307 1.00 42.01 N ATOM 303 CA GLN A 20 22.401 -2.525 -4.546 1.00 74.21 C ATOM 304 C GLN A 20 22.128 -3.349 -3.292 1.00 21.01 C ATOM 305 O GLN A 20 21.670 -4.489 -3.374 1.00 15.52 O ATOM 306 CB GLN A 20 23.848 -2.728 -4.999 1.00 55.42 C ATOM 307 CG GLN A 20 24.099 -4.081 -5.644 1.00 44.13 C ATOM 308 CD GLN A 20 24.332 -5.179 -4.625 1.00 52.12 C ATOM 309 OE1 GLN A 20 23.565 -6.139 -4.544 1.00 60.02 O ATOM 310 NE2 GLN A 20 25.394 -5.043 -3.840 1.00 62.33 N ATOM 0 H GLN A 20 22.965 -0.515 -4.349 1.00 42.01 H new ATOM 0 HA GLN A 20 21.730 -2.865 -5.335 1.00 74.21 H new ATOM 0 HB2 GLN A 20 24.112 -1.943 -5.707 1.00 55.42 H new ATOM 0 HB3 GLN A 20 24.508 -2.617 -4.139 1.00 55.42 H new ATOM 0 HG2 GLN A 20 23.246 -4.345 -6.269 1.00 44.13 H new ATOM 0 HG3 GLN A 20 24.966 -4.011 -6.301 1.00 44.13 H new ATOM 0 HE21 GLN A 20 26.003 -4.231 -3.942 1.00 62.33 H new ATOM 0 HE22 GLN A 20 25.601 -5.751 -3.135 1.00 62.33 H new ATOM 319 N TRP A 21 22.413 -2.766 -2.134 1.00 4.54 N ATOM 320 CA TRP A 21 22.199 -3.447 -0.862 1.00 2.43 C ATOM 321 C TRP A 21 20.739 -3.854 -0.702 1.00 32.32 C ATOM 322 O TRP A 21 20.430 -5.032 -0.520 1.00 1.53 O ATOM 323 CB TRP A 21 22.620 -2.545 0.300 1.00 22.21 C ATOM 324 CG TRP A 21 22.722 -3.270 1.608 1.00 62.42 C ATOM 325 CD1 TRP A 21 23.617 -4.249 1.934 1.00 32.34 C ATOM 326 CD2 TRP A 21 21.899 -3.075 2.763 1.00 73.15 C ATOM 327 NE1 TRP A 21 23.399 -4.674 3.223 1.00 71.32 N ATOM 328 CE2 TRP A 21 22.351 -3.969 3.753 1.00 61.02 C ATOM 329 CE3 TRP A 21 20.825 -2.231 3.057 1.00 12.02 C ATOM 330 CZ2 TRP A 21 21.765 -4.041 5.014 1.00 71.54 C ATOM 331 CZ3 TRP A 21 20.244 -2.304 4.309 1.00 71.31 C ATOM 332 CH2 TRP A 21 20.715 -3.203 5.275 1.00 61.52 C ATOM 0 H TRP A 21 22.793 -1.823 -2.049 1.00 4.54 H new ATOM 0 HA TRP A 21 22.811 -4.349 -0.853 1.00 2.43 H new ATOM 0 HB2 TRP A 21 23.584 -2.092 0.068 1.00 22.21 H new ATOM 0 HB3 TRP A 21 21.901 -1.732 0.399 1.00 22.21 H new ATOM 0 HD1 TRP A 21 24.383 -4.633 1.276 1.00 32.34 H new ATOM 0 HE1 TRP A 21 23.931 -5.397 3.707 1.00 71.32 H new ATOM 0 HE3 TRP A 21 20.455 -1.534 2.319 1.00 12.02 H new ATOM 0 HZ2 TRP A 21 22.126 -4.734 5.760 1.00 71.54 H new ATOM 0 HZ3 TRP A 21 19.413 -1.657 4.547 1.00 71.31 H new ATOM 0 HH2 TRP A 21 20.240 -3.235 6.244 1.00 61.52 H new ATOM 343 N ALA A 22 19.844 -2.874 -0.771 1.00 42.02 N ATOM 344 CA ALA A 22 18.416 -3.132 -0.636 1.00 70.23 C ATOM 345 C ALA A 22 17.965 -4.235 -1.589 1.00 0.44 C ATOM 346 O ALA A 22 17.242 -5.150 -1.195 1.00 41.12 O ATOM 347 CB ALA A 22 17.623 -1.858 -0.888 1.00 22.15 C ATOM 0 H ALA A 22 20.083 -1.894 -0.920 1.00 42.02 H new ATOM 0 HA ALA A 22 18.228 -3.469 0.383 1.00 70.23 H new ATOM 0 HB1 ALA A 22 16.558 -2.066 -0.784 1.00 22.15 H new ATOM 0 HB2 ALA A 22 17.917 -1.097 -0.165 1.00 22.15 H new ATOM 0 HB3 ALA A 22 17.825 -1.497 -1.896 1.00 22.15 H new ATOM 353 N TRP A 23 18.396 -4.140 -2.841 1.00 55.03 N ATOM 354 CA TRP A 23 18.035 -5.130 -3.850 1.00 53.20 C ATOM 355 C TRP A 23 18.644 -6.488 -3.522 1.00 34.53 C ATOM 356 O TRP A 23 18.094 -7.529 -3.882 1.00 15.31 O ATOM 357 CB TRP A 23 18.498 -4.670 -5.233 1.00 71.45 C ATOM 358 CG TRP A 23 17.491 -3.817 -5.944 1.00 21.30 C ATOM 359 CD1 TRP A 23 17.593 -2.483 -6.215 1.00 43.32 C ATOM 360 CD2 TRP A 23 16.229 -4.240 -6.472 1.00 22.44 C ATOM 361 NE1 TRP A 23 16.471 -2.051 -6.880 1.00 11.33 N ATOM 362 CE2 TRP A 23 15.619 -3.110 -7.050 1.00 3.00 C ATOM 363 CE3 TRP A 23 15.556 -5.464 -6.514 1.00 20.33 C ATOM 364 CZ2 TRP A 23 14.369 -3.170 -7.660 1.00 44.55 C ATOM 365 CZ3 TRP A 23 14.315 -5.522 -7.120 1.00 4.43 C ATOM 366 CH2 TRP A 23 13.733 -4.381 -7.687 1.00 52.41 C ATOM 0 H TRP A 23 18.995 -3.389 -3.182 1.00 55.03 H new ATOM 0 HA TRP A 23 16.950 -5.231 -3.853 1.00 53.20 H new ATOM 0 HB2 TRP A 23 19.428 -4.111 -5.129 1.00 71.45 H new ATOM 0 HB3 TRP A 23 18.718 -5.545 -5.844 1.00 71.45 H new ATOM 0 HD1 TRP A 23 18.432 -1.859 -5.946 1.00 43.32 H new ATOM 0 HE1 TRP A 23 16.300 -1.096 -7.196 1.00 11.33 H new ATOM 0 HE3 TRP A 23 15.998 -6.349 -6.081 1.00 20.33 H new ATOM 0 HZ2 TRP A 23 13.917 -2.291 -8.097 1.00 44.55 H new ATOM 0 HZ3 TRP A 23 13.785 -6.463 -7.157 1.00 4.43 H new ATOM 0 HH2 TRP A 23 12.763 -4.459 -8.155 1.00 52.41 H new ATOM 377 N ALA A 24 19.782 -6.472 -2.836 1.00 11.11 N ATOM 378 CA ALA A 24 20.464 -7.703 -2.457 1.00 74.44 C ATOM 379 C ALA A 24 19.799 -8.349 -1.246 1.00 72.04 C ATOM 380 O ALA A 24 19.176 -9.404 -1.358 1.00 20.15 O ATOM 381 CB ALA A 24 21.932 -7.427 -2.171 1.00 22.02 C ATOM 0 H ALA A 24 20.251 -5.619 -2.531 1.00 11.11 H new ATOM 0 HA ALA A 24 20.393 -8.400 -3.292 1.00 74.44 H new ATOM 0 HB1 ALA A 24 22.429 -8.355 -1.889 1.00 22.02 H new ATOM 0 HB2 ALA A 24 22.406 -7.018 -3.063 1.00 22.02 H new ATOM 0 HB3 ALA A 24 22.015 -6.709 -1.355 1.00 22.02 H new ATOM 387 N ASN A 25 19.936 -7.708 -0.090 1.00 22.40 N ATOM 388 CA ASN A 25 19.350 -8.222 1.143 1.00 55.44 C ATOM 389 C ASN A 25 17.857 -7.912 1.205 1.00 51.13 C ATOM 390 O ASN A 25 17.447 -6.755 1.107 1.00 33.11 O ATOM 391 CB ASN A 25 20.058 -7.620 2.358 1.00 34.02 C ATOM 392 CG ASN A 25 21.514 -8.035 2.443 1.00 52.22 C ATOM 393 OD1 ASN A 25 21.859 -8.990 3.138 1.00 23.13 O ATOM 394 ND2 ASN A 25 22.376 -7.316 1.733 1.00 12.12 N ATOM 0 H ASN A 25 20.447 -6.832 0.019 1.00 22.40 H new ATOM 0 HA ASN A 25 19.480 -9.304 1.155 1.00 55.44 H new ATOM 0 HB2 ASN A 25 19.995 -6.533 2.310 1.00 34.02 H new ATOM 0 HB3 ASN A 25 19.541 -7.929 3.266 1.00 34.02 H new ATOM 0 HD21 ASN A 25 23.369 -7.548 1.750 1.00 12.12 H new ATOM 0 HD22 ASN A 25 22.045 -6.532 1.171 1.00 12.12 H new ATOM 401 N LYS A 26 17.048 -8.954 1.368 1.00 5.44 N ATOM 402 CA LYS A 26 15.601 -8.795 1.446 1.00 41.32 C ATOM 403 C LYS A 26 15.025 -9.611 2.598 1.00 20.13 C ATOM 404 O LYS A 26 15.542 -10.674 2.938 1.00 63.30 O ATOM 405 CB LYS A 26 14.949 -9.222 0.129 1.00 44.44 C ATOM 406 CG LYS A 26 15.124 -10.697 -0.186 1.00 64.05 C ATOM 407 CD LYS A 26 14.741 -11.010 -1.623 1.00 50.22 C ATOM 408 CE LYS A 26 13.263 -11.346 -1.745 1.00 33.32 C ATOM 409 NZ LYS A 26 12.932 -12.638 -1.082 1.00 74.22 N ATOM 0 H LYS A 26 17.371 -9.918 1.449 1.00 5.44 H new ATOM 0 HA LYS A 26 15.386 -7.742 1.627 1.00 41.32 H new ATOM 0 HB2 LYS A 26 13.884 -8.991 0.169 1.00 44.44 H new ATOM 0 HB3 LYS A 26 15.373 -8.633 -0.684 1.00 44.44 H new ATOM 0 HG2 LYS A 26 16.161 -10.986 -0.014 1.00 64.05 H new ATOM 0 HG3 LYS A 26 14.511 -11.290 0.492 1.00 64.05 H new ATOM 0 HD2 LYS A 26 14.974 -10.155 -2.257 1.00 50.22 H new ATOM 0 HD3 LYS A 26 15.337 -11.848 -1.985 1.00 50.22 H new ATOM 0 HE2 LYS A 26 12.671 -10.547 -1.299 1.00 33.32 H new ATOM 0 HE3 LYS A 26 12.988 -11.397 -2.798 1.00 33.32 H new ATOM 0 HZ1 LYS A 26 12.060 -13.026 -1.494 1.00 74.22 H new ATOM 0 HZ2 LYS A 26 13.712 -13.311 -1.225 1.00 74.22 H new ATOM 0 HZ3 LYS A 26 12.793 -12.480 -0.064 1.00 74.22 H new ATOM 423 N GLY A 27 13.949 -9.107 3.196 1.00 44.34 N ATOM 424 CA GLY A 27 13.320 -9.803 4.302 1.00 24.24 C ATOM 425 C GLY A 27 13.508 -9.082 5.623 1.00 70.53 C ATOM 426 O GLY A 27 12.730 -9.271 6.558 1.00 54.31 O ATOM 0 H GLY A 27 13.502 -8.228 2.933 1.00 44.34 H new ATOM 0 HA2 GLY A 27 12.255 -9.912 4.100 1.00 24.24 H new ATOM 0 HA3 GLY A 27 13.735 -10.808 4.378 1.00 24.24 H new ATOM 430 N LYS A 28 14.545 -8.255 5.701 1.00 32.33 N ATOM 431 CA LYS A 28 14.834 -7.503 6.917 1.00 60.44 C ATOM 432 C LYS A 28 14.413 -6.045 6.767 1.00 4.10 C ATOM 433 O LYS A 28 14.022 -5.399 7.740 1.00 73.52 O ATOM 434 CB LYS A 28 16.326 -7.584 7.248 1.00 50.33 C ATOM 435 CG LYS A 28 16.898 -8.987 7.141 1.00 41.30 C ATOM 436 CD LYS A 28 16.315 -9.909 8.199 1.00 50.43 C ATOM 437 CE LYS A 28 16.911 -9.630 9.570 1.00 33.53 C ATOM 438 NZ LYS A 28 18.234 -10.291 9.745 1.00 73.33 N ATOM 0 H LYS A 28 15.199 -8.088 4.937 1.00 32.33 H new ATOM 0 HA LYS A 28 14.263 -7.945 7.733 1.00 60.44 H new ATOM 0 HB2 LYS A 28 16.875 -6.925 6.576 1.00 50.33 H new ATOM 0 HB3 LYS A 28 16.486 -7.212 8.260 1.00 50.33 H new ATOM 0 HG2 LYS A 28 16.690 -9.391 6.150 1.00 41.30 H new ATOM 0 HG3 LYS A 28 17.982 -8.948 7.248 1.00 41.30 H new ATOM 0 HD2 LYS A 28 15.233 -9.781 8.238 1.00 50.43 H new ATOM 0 HD3 LYS A 28 16.504 -10.947 7.923 1.00 50.43 H new ATOM 0 HE2 LYS A 28 17.022 -8.554 9.706 1.00 33.53 H new ATOM 0 HE3 LYS A 28 16.225 -9.980 10.342 1.00 33.53 H new ATOM 0 HZ1 LYS A 28 18.607 -10.077 10.692 1.00 73.33 H new ATOM 0 HZ2 LYS A 28 18.124 -11.320 9.641 1.00 73.33 H new ATOM 0 HZ3 LYS A 28 18.896 -9.939 9.024 1.00 73.33 H new ATOM 452 N ILE A 29 14.496 -5.533 5.544 1.00 51.42 N ATOM 453 CA ILE A 29 14.121 -4.151 5.268 1.00 62.32 C ATOM 454 C ILE A 29 12.605 -3.990 5.228 1.00 63.43 C ATOM 455 O ILE A 29 12.059 -3.015 5.746 1.00 64.32 O ATOM 456 CB ILE A 29 14.713 -3.663 3.933 1.00 65.35 C ATOM 457 CG1 ILE A 29 16.225 -3.896 3.905 1.00 64.42 C ATOM 458 CG2 ILE A 29 14.395 -2.191 3.718 1.00 20.14 C ATOM 459 CD1 ILE A 29 16.881 -3.456 2.614 1.00 20.55 C ATOM 0 H ILE A 29 14.819 -6.054 4.729 1.00 51.42 H new ATOM 0 HA ILE A 29 14.527 -3.546 6.079 1.00 62.32 H new ATOM 0 HB ILE A 29 14.261 -4.234 3.122 1.00 65.35 H new ATOM 0 HG12 ILE A 29 16.682 -3.360 4.737 1.00 64.42 H new ATOM 0 HG13 ILE A 29 16.424 -4.956 4.061 1.00 64.42 H new ATOM 0 HG21 ILE A 29 14.820 -1.862 2.770 1.00 20.14 H new ATOM 0 HG22 ILE A 29 13.314 -2.051 3.699 1.00 20.14 H new ATOM 0 HG23 ILE A 29 14.822 -1.604 4.531 1.00 20.14 H new ATOM 0 HD11 ILE A 29 17.952 -3.651 2.665 1.00 20.55 H new ATOM 0 HD12 ILE A 29 16.451 -4.010 1.780 1.00 20.55 H new ATOM 0 HD13 ILE A 29 16.713 -2.389 2.466 1.00 20.55 H new ATOM 471 N LEU A 30 11.930 -4.954 4.611 1.00 50.22 N ATOM 472 CA LEU A 30 10.475 -4.921 4.504 1.00 4.13 C ATOM 473 C LEU A 30 9.831 -4.818 5.883 1.00 73.12 C ATOM 474 O LEU A 30 8.715 -4.317 6.021 1.00 35.43 O ATOM 475 CB LEU A 30 9.969 -6.171 3.784 1.00 72.53 C ATOM 476 CG LEU A 30 10.018 -6.132 2.256 1.00 63.21 C ATOM 477 CD1 LEU A 30 9.153 -5.001 1.723 1.00 71.03 C ATOM 478 CD2 LEU A 30 11.453 -5.982 1.773 1.00 43.45 C ATOM 0 H LEU A 30 12.366 -5.768 4.177 1.00 50.22 H new ATOM 0 HA LEU A 30 10.197 -4.039 3.926 1.00 4.13 H new ATOM 0 HB2 LEU A 30 10.555 -7.024 4.125 1.00 72.53 H new ATOM 0 HB3 LEU A 30 8.938 -6.350 4.090 1.00 72.53 H new ATOM 0 HG LEU A 30 9.624 -7.074 1.874 1.00 63.21 H new ATOM 0 HD11 LEU A 30 9.200 -4.989 0.634 1.00 71.03 H new ATOM 0 HD12 LEU A 30 8.121 -5.152 2.040 1.00 71.03 H new ATOM 0 HD13 LEU A 30 9.517 -4.050 2.113 1.00 71.03 H new ATOM 0 HD21 LEU A 30 11.469 -5.956 0.683 1.00 43.45 H new ATOM 0 HD22 LEU A 30 11.874 -5.056 2.164 1.00 43.45 H new ATOM 0 HD23 LEU A 30 12.045 -6.827 2.125 1.00 43.45 H new ATOM 490 N ASP A 31 10.542 -5.293 6.899 1.00 35.45 N ATOM 491 CA ASP A 31 10.040 -5.252 8.268 1.00 23.13 C ATOM 492 C ASP A 31 10.144 -3.843 8.843 1.00 53.44 C ATOM 493 O ASP A 31 9.244 -3.380 9.544 1.00 31.31 O ATOM 494 CB ASP A 31 10.817 -6.233 9.148 1.00 12.02 C ATOM 495 CG ASP A 31 9.981 -6.771 10.292 1.00 35.44 C ATOM 496 OD1 ASP A 31 8.849 -6.280 10.482 1.00 14.40 O ATOM 497 OD2 ASP A 31 10.458 -7.684 10.999 1.00 43.12 O ATOM 0 H ASP A 31 11.467 -5.711 6.801 1.00 35.45 H new ATOM 0 HA ASP A 31 8.990 -5.542 8.252 1.00 23.13 H new ATOM 0 HB2 ASP A 31 11.169 -7.064 8.537 1.00 12.02 H new ATOM 0 HB3 ASP A 31 11.700 -5.736 9.549 1.00 12.02 H new ATOM 502 N TRP A 32 11.246 -3.166 8.541 1.00 31.21 N ATOM 503 CA TRP A 32 11.467 -1.809 9.029 1.00 62.45 C ATOM 504 C TRP A 32 10.304 -0.899 8.651 1.00 0.20 C ATOM 505 O TRP A 32 9.821 -0.119 9.473 1.00 44.51 O ATOM 506 CB TRP A 32 12.774 -1.249 8.464 1.00 73.33 C ATOM 507 CG TRP A 32 13.997 -1.843 9.095 1.00 15.43 C ATOM 508 CD1 TRP A 32 14.097 -2.367 10.352 1.00 5.34 C ATOM 509 CD2 TRP A 32 15.292 -1.971 8.500 1.00 43.51 C ATOM 510 NE1 TRP A 32 15.378 -2.813 10.574 1.00 1.33 N ATOM 511 CE2 TRP A 32 16.130 -2.582 9.453 1.00 2.00 C ATOM 512 CE3 TRP A 32 15.826 -1.630 7.254 1.00 32.10 C ATOM 513 CZ2 TRP A 32 17.471 -2.857 9.197 1.00 32.54 C ATOM 514 CZ3 TRP A 32 17.157 -1.904 7.002 1.00 54.10 C ATOM 515 CH2 TRP A 32 17.967 -2.513 7.969 1.00 32.43 C ATOM 0 H TRP A 32 12.000 -3.534 7.961 1.00 31.21 H new ATOM 0 HA TRP A 32 11.536 -1.847 10.116 1.00 62.45 H new ATOM 0 HB2 TRP A 32 12.804 -1.430 7.390 1.00 73.33 H new ATOM 0 HB3 TRP A 32 12.789 -0.168 8.606 1.00 73.33 H new ATOM 0 HD1 TRP A 32 13.289 -2.423 11.066 1.00 5.34 H new ATOM 0 HE1 TRP A 32 15.714 -3.246 11.434 1.00 1.33 H new ATOM 0 HE3 TRP A 32 15.209 -1.161 6.502 1.00 32.10 H new ATOM 0 HZ2 TRP A 32 18.098 -3.325 9.942 1.00 32.54 H new ATOM 0 HZ3 TRP A 32 17.580 -1.644 6.043 1.00 54.10 H new ATOM 0 HH2 TRP A 32 19.003 -2.715 7.741 1.00 32.43 H new ATOM 526 N LEU A 33 9.858 -1.003 7.404 1.00 14.22 N ATOM 527 CA LEU A 33 8.749 -0.188 6.918 1.00 65.11 C ATOM 528 C LEU A 33 7.508 -0.387 7.781 1.00 74.01 C ATOM 529 O LEU A 33 6.672 0.508 7.899 1.00 2.23 O ATOM 530 CB LEU A 33 8.434 -0.537 5.462 1.00 23.23 C ATOM 531 CG LEU A 33 9.153 0.297 4.401 1.00 24.43 C ATOM 532 CD1 LEU A 33 8.794 -0.190 3.006 1.00 13.20 C ATOM 533 CD2 LEU A 33 8.811 1.771 4.559 1.00 31.20 C ATOM 0 H LEU A 33 10.247 -1.643 6.711 1.00 14.22 H new ATOM 0 HA LEU A 33 9.046 0.859 6.978 1.00 65.11 H new ATOM 0 HB2 LEU A 33 8.681 -1.586 5.299 1.00 23.23 H new ATOM 0 HB3 LEU A 33 7.360 -0.435 5.309 1.00 23.23 H new ATOM 0 HG LEU A 33 10.228 0.178 4.539 1.00 24.43 H new ATOM 0 HD11 LEU A 33 9.315 0.415 2.264 1.00 13.20 H new ATOM 0 HD12 LEU A 33 9.091 -1.233 2.897 1.00 13.20 H new ATOM 0 HD13 LEU A 33 7.718 -0.102 2.856 1.00 13.20 H new ATOM 0 HD21 LEU A 33 9.332 2.349 3.796 1.00 31.20 H new ATOM 0 HD22 LEU A 33 7.735 1.909 4.448 1.00 31.20 H new ATOM 0 HD23 LEU A 33 9.121 2.112 5.547 1.00 31.20 H new ATOM 545 N ASN A 34 7.395 -1.566 8.383 1.00 34.43 N ATOM 546 CA ASN A 34 6.255 -1.882 9.237 1.00 24.43 C ATOM 547 C ASN A 34 6.493 -1.395 10.663 1.00 31.24 C ATOM 548 O ASN A 34 5.548 -1.109 11.398 1.00 51.01 O ATOM 549 CB ASN A 34 5.995 -3.390 9.238 1.00 31.12 C ATOM 550 CG ASN A 34 5.282 -3.854 7.983 1.00 64.45 C ATOM 551 OD1 ASN A 34 4.055 -3.936 7.946 1.00 15.42 O ATOM 552 ND2 ASN A 34 6.052 -4.162 6.945 1.00 22.12 N ATOM 0 H ASN A 34 8.078 -2.318 8.296 1.00 34.43 H new ATOM 0 HA ASN A 34 5.380 -1.369 8.838 1.00 24.43 H new ATOM 0 HB2 ASN A 34 6.943 -3.919 9.331 1.00 31.12 H new ATOM 0 HB3 ASN A 34 5.397 -3.652 10.111 1.00 31.12 H new ATOM 0 HD21 ASN A 34 5.629 -4.481 6.073 1.00 22.12 H new ATOM 0 HD22 ASN A 34 7.066 -4.079 7.020 1.00 22.12 H new ATOM 559 N ALA A 35 7.762 -1.303 11.048 1.00 72.22 N ATOM 560 CA ALA A 35 8.124 -0.848 12.384 1.00 30.24 C ATOM 561 C ALA A 35 8.694 0.566 12.347 1.00 21.43 C ATOM 562 O ALA A 35 9.625 0.889 13.084 1.00 41.55 O ATOM 563 CB ALA A 35 9.124 -1.806 13.015 1.00 33.21 C ATOM 0 H ALA A 35 8.556 -1.538 10.453 1.00 72.22 H new ATOM 0 HA ALA A 35 7.220 -0.831 12.992 1.00 30.24 H new ATOM 0 HB1 ALA A 35 9.386 -1.454 14.013 1.00 33.21 H new ATOM 0 HB2 ALA A 35 8.681 -2.800 13.085 1.00 33.21 H new ATOM 0 HB3 ALA A 35 10.022 -1.852 12.399 1.00 33.21 H new ATOM 569 N GLY A 36 8.129 1.404 11.484 1.00 42.40 N ATOM 570 CA GLY A 36 8.595 2.774 11.367 1.00 64.43 C ATOM 571 C GLY A 36 7.762 3.589 10.398 1.00 31.11 C ATOM 572 O GLY A 36 7.398 4.728 10.690 1.00 60.23 O ATOM 0 H GLY A 36 7.357 1.159 10.864 1.00 42.40 H new ATOM 0 HA2 GLY A 36 8.572 3.247 12.349 1.00 64.43 H new ATOM 0 HA3 GLY A 36 9.634 2.774 11.037 1.00 64.43 H new ATOM 576 N GLN A 37 7.461 3.005 9.243 1.00 53.55 N ATOM 577 CA GLN A 37 6.667 3.687 8.227 1.00 11.31 C ATOM 578 C GLN A 37 7.291 5.030 7.859 1.00 34.42 C ATOM 579 O GLN A 37 6.626 6.065 7.896 1.00 21.34 O ATOM 580 CB GLN A 37 5.235 3.896 8.724 1.00 62.33 C ATOM 581 CG GLN A 37 4.369 2.650 8.624 1.00 4.23 C ATOM 582 CD GLN A 37 3.863 2.403 7.217 1.00 34.42 C ATOM 583 OE1 GLN A 37 4.569 1.839 6.381 1.00 72.32 O ATOM 584 NE2 GLN A 37 2.632 2.824 6.948 1.00 23.31 N ATOM 0 H GLN A 37 7.754 2.062 8.987 1.00 53.55 H new ATOM 0 HA GLN A 37 6.647 3.060 7.336 1.00 11.31 H new ATOM 0 HB2 GLN A 37 5.264 4.226 9.762 1.00 62.33 H new ATOM 0 HB3 GLN A 37 4.772 4.697 8.148 1.00 62.33 H new ATOM 0 HG2 GLN A 37 4.943 1.785 8.957 1.00 4.23 H new ATOM 0 HG3 GLN A 37 3.519 2.747 9.300 1.00 4.23 H new ATOM 0 HE21 GLN A 37 2.082 3.287 7.671 1.00 23.31 H new ATOM 0 HE22 GLN A 37 2.237 2.684 6.018 1.00 23.31 H new ATOM 593 N ALA A 38 8.571 5.004 7.505 1.00 41.24 N ATOM 594 CA ALA A 38 9.284 6.219 7.128 1.00 31.34 C ATOM 595 C ALA A 38 10.612 5.890 6.455 1.00 31.31 C ATOM 596 O ALA A 38 11.453 5.195 7.027 1.00 50.32 O ATOM 597 CB ALA A 38 9.512 7.096 8.350 1.00 5.31 C ATOM 0 H ALA A 38 9.136 4.155 7.471 1.00 41.24 H new ATOM 0 HA ALA A 38 8.670 6.765 6.412 1.00 31.34 H new ATOM 0 HB1 ALA A 38 10.045 8.000 8.055 1.00 5.31 H new ATOM 0 HB2 ALA A 38 8.551 7.368 8.787 1.00 5.31 H new ATOM 0 HB3 ALA A 38 10.103 6.550 9.085 1.00 5.31 H new ATOM 603 N ILE A 39 10.793 6.391 5.238 1.00 3.52 N ATOM 604 CA ILE A 39 12.020 6.151 4.488 1.00 35.50 C ATOM 605 C ILE A 39 13.234 6.699 5.229 1.00 1.11 C ATOM 606 O ILE A 39 14.237 6.005 5.397 1.00 0.25 O ATOM 607 CB ILE A 39 11.957 6.787 3.087 1.00 74.21 C ATOM 608 CG1 ILE A 39 10.746 6.256 2.316 1.00 42.41 C ATOM 609 CG2 ILE A 39 13.242 6.510 2.321 1.00 11.14 C ATOM 610 CD1 ILE A 39 10.483 6.995 1.022 1.00 20.51 C ATOM 0 H ILE A 39 10.106 6.966 4.750 1.00 3.52 H new ATOM 0 HA ILE A 39 12.119 5.071 4.383 1.00 35.50 H new ATOM 0 HB ILE A 39 11.849 7.866 3.199 1.00 74.21 H new ATOM 0 HG12 ILE A 39 10.900 5.199 2.097 1.00 42.41 H new ATOM 0 HG13 ILE A 39 9.862 6.325 2.951 1.00 42.41 H new ATOM 0 HG21 ILE A 39 13.182 6.966 1.333 1.00 11.14 H new ATOM 0 HG22 ILE A 39 14.088 6.932 2.864 1.00 11.14 H new ATOM 0 HG23 ILE A 39 13.378 5.434 2.216 1.00 11.14 H new ATOM 0 HD11 ILE A 39 9.611 6.566 0.529 1.00 20.51 H new ATOM 0 HD12 ILE A 39 10.298 8.048 1.235 1.00 20.51 H new ATOM 0 HD13 ILE A 39 11.351 6.905 0.369 1.00 20.51 H new ATOM 622 N ASP A 40 13.136 7.948 5.671 1.00 31.15 N ATOM 623 CA ASP A 40 14.225 8.590 6.398 1.00 65.41 C ATOM 624 C ASP A 40 14.622 7.768 7.620 1.00 20.52 C ATOM 625 O ASP A 40 15.766 7.822 8.072 1.00 32.32 O ATOM 626 CB ASP A 40 13.820 10.001 6.827 1.00 73.45 C ATOM 627 CG ASP A 40 15.017 10.886 7.111 1.00 51.11 C ATOM 628 OD1 ASP A 40 15.547 11.491 6.156 1.00 61.01 O ATOM 629 OD2 ASP A 40 15.424 10.974 8.288 1.00 23.44 O ATOM 0 H ASP A 40 12.313 8.536 5.538 1.00 31.15 H new ATOM 0 HA ASP A 40 15.085 8.655 5.731 1.00 65.41 H new ATOM 0 HB2 ASP A 40 13.214 10.456 6.044 1.00 73.45 H new ATOM 0 HB3 ASP A 40 13.196 9.941 7.719 1.00 73.45 H new ATOM 634 N TRP A 41 13.670 7.009 8.150 1.00 32.34 N ATOM 635 CA TRP A 41 13.920 6.176 9.322 1.00 52.14 C ATOM 636 C TRP A 41 14.725 4.937 8.947 1.00 60.13 C ATOM 637 O TRP A 41 15.428 4.366 9.780 1.00 30.34 O ATOM 638 CB TRP A 41 12.598 5.763 9.971 1.00 52.31 C ATOM 639 CG TRP A 41 12.772 5.110 11.309 1.00 55.23 C ATOM 640 CD1 TRP A 41 12.814 5.731 12.524 1.00 22.04 C ATOM 641 CD2 TRP A 41 12.928 3.710 11.565 1.00 13.30 C ATOM 642 NE1 TRP A 41 12.988 4.801 13.521 1.00 14.21 N ATOM 643 CE2 TRP A 41 13.059 3.554 12.959 1.00 42.21 C ATOM 644 CE3 TRP A 41 12.967 2.573 10.753 1.00 1.54 C ATOM 645 CZ2 TRP A 41 13.228 2.308 13.555 1.00 24.52 C ATOM 646 CZ3 TRP A 41 13.135 1.337 11.347 1.00 64.11 C ATOM 647 CH2 TRP A 41 13.263 1.212 12.737 1.00 65.44 C ATOM 0 H TRP A 41 12.718 6.953 7.788 1.00 32.34 H new ATOM 0 HA TRP A 41 14.500 6.761 10.036 1.00 52.14 H new ATOM 0 HB2 TRP A 41 11.966 6.644 10.084 1.00 52.31 H new ATOM 0 HB3 TRP A 41 12.073 5.078 9.306 1.00 52.31 H new ATOM 0 HD1 TRP A 41 12.724 6.796 12.679 1.00 22.04 H new ATOM 0 HE1 TRP A 41 13.054 5.006 14.518 1.00 14.21 H new ATOM 0 HE3 TRP A 41 12.868 2.659 9.681 1.00 1.54 H new ATOM 0 HZ2 TRP A 41 13.328 2.210 14.626 1.00 24.52 H new ATOM 0 HZ3 TRP A 41 13.168 0.452 10.729 1.00 64.11 H new ATOM 0 HH2 TRP A 41 13.392 0.231 13.171 1.00 65.44 H new ATOM 658 N VAL A 42 14.618 4.526 7.687 1.00 24.31 N ATOM 659 CA VAL A 42 15.338 3.354 7.202 1.00 42.32 C ATOM 660 C VAL A 42 16.705 3.740 6.648 1.00 61.14 C ATOM 661 O VAL A 42 17.675 2.995 6.785 1.00 64.33 O ATOM 662 CB VAL A 42 14.541 2.620 6.107 1.00 25.54 C ATOM 663 CG1 VAL A 42 15.308 1.401 5.616 1.00 50.23 C ATOM 664 CG2 VAL A 42 13.168 2.222 6.625 1.00 34.14 C ATOM 0 H VAL A 42 14.040 4.987 6.984 1.00 24.31 H new ATOM 0 HA VAL A 42 15.470 2.687 8.054 1.00 42.32 H new ATOM 0 HB VAL A 42 14.404 3.298 5.264 1.00 25.54 H new ATOM 0 HG11 VAL A 42 14.730 0.895 4.843 1.00 50.23 H new ATOM 0 HG12 VAL A 42 16.267 1.716 5.205 1.00 50.23 H new ATOM 0 HG13 VAL A 42 15.477 0.718 6.448 1.00 50.23 H new ATOM 0 HG21 VAL A 42 12.618 1.705 5.839 1.00 34.14 H new ATOM 0 HG22 VAL A 42 13.281 1.561 7.484 1.00 34.14 H new ATOM 0 HG23 VAL A 42 12.619 3.115 6.924 1.00 34.14 H new ATOM 674 N VAL A 43 16.775 4.910 6.021 1.00 51.11 N ATOM 675 CA VAL A 43 18.024 5.397 5.447 1.00 73.42 C ATOM 676 C VAL A 43 19.109 5.515 6.511 1.00 14.03 C ATOM 677 O VAL A 43 20.257 5.132 6.287 1.00 11.52 O ATOM 678 CB VAL A 43 17.834 6.766 4.769 1.00 54.44 C ATOM 679 CG1 VAL A 43 19.091 7.167 4.012 1.00 71.11 C ATOM 680 CG2 VAL A 43 16.629 6.738 3.840 1.00 11.11 C ATOM 0 H VAL A 43 15.981 5.538 5.898 1.00 51.11 H new ATOM 0 HA VAL A 43 18.333 4.669 4.697 1.00 73.42 H new ATOM 0 HB VAL A 43 17.651 7.512 5.542 1.00 54.44 H new ATOM 0 HG11 VAL A 43 18.937 8.137 3.540 1.00 71.11 H new ATOM 0 HG12 VAL A 43 19.929 7.230 4.706 1.00 71.11 H new ATOM 0 HG13 VAL A 43 19.309 6.421 3.247 1.00 71.11 H new ATOM 0 HG21 VAL A 43 16.510 7.714 3.369 1.00 11.11 H new ATOM 0 HG22 VAL A 43 16.780 5.980 3.071 1.00 11.11 H new ATOM 0 HG23 VAL A 43 15.733 6.500 4.413 1.00 11.11 H new ATOM 690 N SER A 44 18.736 6.047 7.671 1.00 4.30 N ATOM 691 CA SER A 44 19.679 6.219 8.770 1.00 13.55 C ATOM 692 C SER A 44 20.259 4.877 9.204 1.00 64.34 C ATOM 693 O SER A 44 21.321 4.817 9.825 1.00 74.10 O ATOM 694 CB SER A 44 18.992 6.898 9.957 1.00 32.44 C ATOM 695 OG SER A 44 18.198 7.991 9.531 1.00 43.44 O ATOM 0 H SER A 44 17.789 6.366 7.874 1.00 4.30 H new ATOM 0 HA SER A 44 20.495 6.851 8.420 1.00 13.55 H new ATOM 0 HB2 SER A 44 18.368 6.175 10.482 1.00 32.44 H new ATOM 0 HB3 SER A 44 19.744 7.245 10.666 1.00 32.44 H new ATOM 0 HG SER A 44 17.341 7.660 9.190 1.00 43.44 H new ATOM 701 N LYS A 45 19.555 3.800 8.871 1.00 45.01 N ATOM 702 CA LYS A 45 19.999 2.456 9.223 1.00 41.40 C ATOM 703 C LYS A 45 20.782 1.824 8.077 1.00 52.04 C ATOM 704 O LYS A 45 20.894 0.601 7.990 1.00 31.20 O ATOM 705 CB LYS A 45 18.798 1.578 9.580 1.00 22.14 C ATOM 706 CG LYS A 45 19.153 0.391 10.459 1.00 60.30 C ATOM 707 CD LYS A 45 17.934 -0.145 11.192 1.00 43.14 C ATOM 708 CE LYS A 45 17.543 0.755 12.354 1.00 75.13 C ATOM 709 NZ LYS A 45 18.355 0.475 13.570 1.00 14.01 N ATOM 0 H LYS A 45 18.674 3.832 8.358 1.00 45.01 H new ATOM 0 HA LYS A 45 20.656 2.532 10.089 1.00 41.40 H new ATOM 0 HB2 LYS A 45 18.052 2.187 10.090 1.00 22.14 H new ATOM 0 HB3 LYS A 45 18.338 1.214 8.661 1.00 22.14 H new ATOM 0 HG2 LYS A 45 19.587 -0.399 9.847 1.00 60.30 H new ATOM 0 HG3 LYS A 45 19.913 0.687 11.182 1.00 60.30 H new ATOM 0 HD2 LYS A 45 17.098 -0.229 10.498 1.00 43.14 H new ATOM 0 HD3 LYS A 45 18.143 -1.149 11.562 1.00 43.14 H new ATOM 0 HE2 LYS A 45 17.671 1.798 12.064 1.00 75.13 H new ATOM 0 HE3 LYS A 45 16.487 0.615 12.583 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 18.058 1.109 14.339 1.00 14.01 H new ATOM 0 HZ2 LYS A 45 18.214 -0.513 13.862 1.00 14.01 H new ATOM 0 HZ3 LYS A 45 19.361 0.634 13.360 1.00 14.01 H new ATOM 723 N ILE A 46 21.322 2.664 7.201 1.00 52.44 N ATOM 724 CA ILE A 46 22.096 2.187 6.062 1.00 70.33 C ATOM 725 C ILE A 46 23.562 2.585 6.188 1.00 45.33 C ATOM 726 O ILE A 46 24.457 1.842 5.784 1.00 73.34 O ATOM 727 CB ILE A 46 21.539 2.733 4.734 1.00 45.14 C ATOM 728 CG1 ILE A 46 20.028 2.510 4.659 1.00 74.23 C ATOM 729 CG2 ILE A 46 22.237 2.071 3.555 1.00 42.33 C ATOM 730 CD1 ILE A 46 19.624 1.058 4.792 1.00 51.14 C ATOM 0 H ILE A 46 21.238 3.679 7.258 1.00 52.44 H new ATOM 0 HA ILE A 46 22.016 1.100 6.060 1.00 70.33 H new ATOM 0 HB ILE A 46 21.731 3.805 4.690 1.00 45.14 H new ATOM 0 HG12 ILE A 46 19.544 3.087 5.447 1.00 74.23 H new ATOM 0 HG13 ILE A 46 19.659 2.896 3.709 1.00 74.23 H new ATOM 0 HG21 ILE A 46 21.833 2.467 2.624 1.00 42.33 H new ATOM 0 HG22 ILE A 46 23.306 2.277 3.603 1.00 42.33 H new ATOM 0 HG23 ILE A 46 22.073 0.994 3.593 1.00 42.33 H new ATOM 0 HD11 ILE A 46 18.539 0.975 4.730 1.00 51.14 H new ATOM 0 HD12 ILE A 46 20.079 0.479 3.989 1.00 51.14 H new ATOM 0 HD13 ILE A 46 19.963 0.673 5.754 1.00 51.14 H new ATOM 742 N LYS A 47 23.803 3.763 6.753 1.00 41.52 N ATOM 743 CA LYS A 47 25.161 4.262 6.936 1.00 22.52 C ATOM 744 C LYS A 47 25.945 3.365 7.889 1.00 4.22 C ATOM 745 O LYS A 47 27.171 3.287 7.813 1.00 21.44 O ATOM 746 CB LYS A 47 25.133 5.694 7.474 1.00 52.12 C ATOM 747 CG LYS A 47 24.275 5.861 8.716 1.00 24.55 C ATOM 748 CD LYS A 47 23.267 6.985 8.552 1.00 51.04 C ATOM 749 CE LYS A 47 23.805 8.300 9.093 1.00 3.41 C ATOM 750 NZ LYS A 47 25.150 8.619 8.539 1.00 4.23 N ATOM 0 H LYS A 47 23.074 4.391 7.093 1.00 41.52 H new ATOM 0 HA LYS A 47 25.658 4.255 5.966 1.00 22.52 H new ATOM 0 HB2 LYS A 47 26.152 6.007 7.702 1.00 52.12 H new ATOM 0 HB3 LYS A 47 24.762 6.359 6.694 1.00 52.12 H new ATOM 0 HG2 LYS A 47 23.750 4.929 8.925 1.00 24.55 H new ATOM 0 HG3 LYS A 47 24.914 6.067 9.575 1.00 24.55 H new ATOM 0 HD2 LYS A 47 23.017 7.100 7.497 1.00 51.04 H new ATOM 0 HD3 LYS A 47 22.345 6.727 9.072 1.00 51.04 H new ATOM 0 HE2 LYS A 47 23.111 9.104 8.848 1.00 3.41 H new ATOM 0 HE3 LYS A 47 23.863 8.249 10.180 1.00 3.41 H new ATOM 0 HZ1 LYS A 47 25.387 9.609 8.751 1.00 4.23 H new ATOM 0 HZ2 LYS A 47 25.860 7.993 8.970 1.00 4.23 H new ATOM 0 HZ3 LYS A 47 25.143 8.478 7.509 1.00 4.23 H new ATOM 764 N GLN A 48 25.230 2.691 8.784 1.00 70.14 N ATOM 765 CA GLN A 48 25.860 1.800 9.750 1.00 23.43 C ATOM 766 C GLN A 48 26.218 0.464 9.107 1.00 44.14 C ATOM 767 O GLN A 48 27.189 -0.185 9.499 1.00 15.33 O ATOM 768 CB GLN A 48 24.933 1.571 10.945 1.00 30.11 C ATOM 769 CG GLN A 48 23.565 1.032 10.559 1.00 11.11 C ATOM 770 CD GLN A 48 22.707 0.702 11.764 1.00 35.32 C ATOM 771 OE1 GLN A 48 22.341 -0.454 11.982 1.00 12.33 O ATOM 772 NE2 GLN A 48 22.380 1.717 12.555 1.00 1.12 N ATOM 0 H GLN A 48 24.214 2.745 8.860 1.00 70.14 H new ATOM 0 HA GLN A 48 26.779 2.274 10.097 1.00 23.43 H new ATOM 0 HB2 GLN A 48 25.408 0.873 11.634 1.00 30.11 H new ATOM 0 HB3 GLN A 48 24.806 2.512 11.481 1.00 30.11 H new ATOM 0 HG2 GLN A 48 23.050 1.768 9.941 1.00 11.11 H new ATOM 0 HG3 GLN A 48 23.690 0.136 9.950 1.00 11.11 H new ATOM 0 HE21 GLN A 48 22.705 2.659 12.337 1.00 1.12 H new ATOM 0 HE22 GLN A 48 21.804 1.555 13.381 1.00 1.12 H new ATOM 781 N ILE A 49 25.429 0.060 8.117 1.00 65.41 N ATOM 782 CA ILE A 49 25.664 -1.198 7.419 1.00 64.21 C ATOM 783 C ILE A 49 26.803 -1.064 6.413 1.00 74.40 C ATOM 784 O ILE A 49 27.875 -1.644 6.591 1.00 10.34 O ATOM 785 CB ILE A 49 24.399 -1.679 6.684 1.00 21.23 C ATOM 786 CG1 ILE A 49 23.191 -1.636 7.622 1.00 30.12 C ATOM 787 CG2 ILE A 49 24.605 -3.085 6.141 1.00 75.23 C ATOM 788 CD1 ILE A 49 23.350 -2.502 8.852 1.00 33.22 C ATOM 0 H ILE A 49 24.622 0.585 7.780 1.00 65.41 H new ATOM 0 HA ILE A 49 25.936 -1.933 8.176 1.00 64.21 H new ATOM 0 HB ILE A 49 24.208 -1.011 5.844 1.00 21.23 H new ATOM 0 HG12 ILE A 49 23.019 -0.606 7.933 1.00 30.12 H new ATOM 0 HG13 ILE A 49 22.304 -1.956 7.074 1.00 30.12 H new ATOM 0 HG21 ILE A 49 23.702 -3.411 5.624 1.00 75.23 H new ATOM 0 HG22 ILE A 49 25.443 -3.087 5.444 1.00 75.23 H new ATOM 0 HG23 ILE A 49 24.817 -3.766 6.965 1.00 75.23 H new ATOM 0 HD11 ILE A 49 22.456 -2.422 9.471 1.00 33.22 H new ATOM 0 HD12 ILE A 49 23.491 -3.540 8.550 1.00 33.22 H new ATOM 0 HD13 ILE A 49 24.217 -2.169 9.422 1.00 33.22 H new ATOM 800 N LEU A 50 26.563 -0.296 5.356 1.00 4.01 N ATOM 801 CA LEU A 50 27.569 -0.084 4.321 1.00 3.52 C ATOM 802 C LEU A 50 28.726 0.759 4.851 1.00 72.55 C ATOM 803 O LEU A 50 29.858 0.287 4.945 1.00 21.01 O ATOM 804 CB LEU A 50 26.942 0.599 3.105 1.00 74.04 C ATOM 805 CG LEU A 50 25.637 -0.012 2.591 1.00 44.11 C ATOM 806 CD1 LEU A 50 25.063 0.828 1.460 1.00 24.04 C ATOM 807 CD2 LEU A 50 25.864 -1.445 2.131 1.00 3.31 C ATOM 0 H LEU A 50 25.681 0.190 5.193 1.00 4.01 H new ATOM 0 HA LEU A 50 27.959 -1.057 4.023 1.00 3.52 H new ATOM 0 HB2 LEU A 50 26.757 1.644 3.355 1.00 74.04 H new ATOM 0 HB3 LEU A 50 27.669 0.590 2.293 1.00 74.04 H new ATOM 0 HG LEU A 50 24.917 -0.024 3.409 1.00 44.11 H new ATOM 0 HD11 LEU A 50 24.135 0.378 1.107 1.00 24.04 H new ATOM 0 HD12 LEU A 50 24.863 1.837 1.821 1.00 24.04 H new ATOM 0 HD13 LEU A 50 25.780 0.872 0.640 1.00 24.04 H new ATOM 0 HD21 LEU A 50 24.925 -1.864 1.769 1.00 3.31 H new ATOM 0 HD22 LEU A 50 26.601 -1.457 1.328 1.00 3.31 H new ATOM 0 HD23 LEU A 50 26.229 -2.042 2.967 1.00 3.31 H new ATOM 819 N GLY A 51 28.431 2.008 5.197 1.00 45.23 N ATOM 820 CA GLY A 51 29.456 2.895 5.715 1.00 45.55 C ATOM 821 C GLY A 51 29.481 4.232 5.001 1.00 53.44 C ATOM 822 O GLY A 51 30.547 4.810 4.786 1.00 20.41 O ATOM 0 H GLY A 51 27.501 2.421 5.128 1.00 45.23 H new ATOM 0 HA2 GLY A 51 29.287 3.058 6.779 1.00 45.55 H new ATOM 0 HA3 GLY A 51 30.430 2.416 5.617 1.00 45.55 H new ATOM 826 N ILE A 52 28.303 4.725 4.630 1.00 5.04 N ATOM 827 CA ILE A 52 28.195 6.002 3.936 1.00 75.11 C ATOM 828 C ILE A 52 28.026 7.152 4.923 1.00 21.11 C ATOM 829 O ILE A 52 27.472 6.977 6.008 1.00 14.44 O ATOM 830 CB ILE A 52 27.010 6.008 2.951 1.00 24.12 C ATOM 831 CG1 ILE A 52 27.056 7.260 2.073 1.00 72.23 C ATOM 832 CG2 ILE A 52 25.692 5.932 3.707 1.00 4.33 C ATOM 833 CD1 ILE A 52 26.435 7.063 0.708 1.00 74.14 C ATOM 0 H ILE A 52 27.411 4.259 4.799 1.00 5.04 H new ATOM 0 HA ILE A 52 29.122 6.138 3.379 1.00 75.11 H new ATOM 0 HB ILE A 52 27.087 5.132 2.307 1.00 24.12 H new ATOM 0 HG12 ILE A 52 26.539 8.072 2.585 1.00 72.23 H new ATOM 0 HG13 ILE A 52 28.094 7.570 1.950 1.00 72.23 H new ATOM 0 HG21 ILE A 52 24.865 5.937 2.997 1.00 4.33 H new ATOM 0 HG22 ILE A 52 25.661 5.014 4.293 1.00 4.33 H new ATOM 0 HG23 ILE A 52 25.604 6.791 4.373 1.00 4.33 H new ATOM 0 HD11 ILE A 52 26.503 7.991 0.140 1.00 74.14 H new ATOM 0 HD12 ILE A 52 26.966 6.273 0.177 1.00 74.14 H new ATOM 0 HD13 ILE A 52 25.388 6.783 0.822 1.00 74.14 H new ATOM 845 N LYS A 53 28.507 8.329 4.539 1.00 40.43 N ATOM 846 CA LYS A 53 28.408 9.511 5.387 1.00 32.14 C ATOM 847 C LYS A 53 27.123 10.281 5.100 1.00 34.33 C ATOM 848 O LYS A 53 26.719 10.425 3.946 1.00 11.42 O ATOM 849 CB LYS A 53 29.619 10.421 5.173 1.00 50.42 C ATOM 850 CG LYS A 53 30.794 10.094 6.078 1.00 50.01 C ATOM 851 CD LYS A 53 31.603 8.926 5.541 1.00 61.55 C ATOM 852 CE LYS A 53 32.938 8.795 6.258 1.00 50.20 C ATOM 853 NZ LYS A 53 33.658 7.551 5.869 1.00 74.12 N ATOM 0 H LYS A 53 28.970 8.490 3.645 1.00 40.43 H new ATOM 0 HA LYS A 53 28.389 9.181 6.426 1.00 32.14 H new ATOM 0 HB2 LYS A 53 29.940 10.346 4.134 1.00 50.42 H new ATOM 0 HB3 LYS A 53 29.319 11.456 5.340 1.00 50.42 H new ATOM 0 HG2 LYS A 53 31.436 10.970 6.173 1.00 50.01 H new ATOM 0 HG3 LYS A 53 30.430 9.856 7.077 1.00 50.01 H new ATOM 0 HD2 LYS A 53 31.034 8.004 5.658 1.00 61.55 H new ATOM 0 HD3 LYS A 53 31.774 9.061 4.473 1.00 61.55 H new ATOM 0 HE2 LYS A 53 33.559 9.661 6.029 1.00 50.20 H new ATOM 0 HE3 LYS A 53 32.773 8.797 7.335 1.00 50.20 H new ATOM 0 HZ1 LYS A 53 34.563 7.499 6.379 1.00 74.12 H new ATOM 0 HZ2 LYS A 53 33.076 6.723 6.111 1.00 74.12 H new ATOM 0 HZ3 LYS A 53 33.838 7.560 4.845 1.00 74.12 H new TER 867 LYS A 53