USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 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 39 CYS SG : rot -179:sc= -18.5! USER MOD Set 1.2: A 49 CYS SG : rot -21:sc= -23.5! USER MOD Set 2.1: A 36 CYS SG : rot -37:sc= -20.6! USER MOD Set 2.2: A 62 CYS SG : rot 122:sc= -18.4! USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.0249 USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0737 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.0036) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 27 SER OG : rot -70:sc= -1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.792 K(o=0.79,f=-0.16) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -172:sc= -0.994 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.804 -6.704 -2.356 1.00 53.20 N ATOM 2 CA GLY A 1 -3.646 -6.471 -1.513 1.00 34.23 C ATOM 3 C GLY A 1 -3.736 -5.163 -0.753 1.00 0.41 C ATOM 4 O GLY A 1 -4.600 -4.326 -1.015 1.00 14.11 O ATOM 0 H1 GLY A 1 -5.303 -7.557 -2.032 1.00 53.20 H new ATOM 0 H2 GLY A 1 -5.444 -5.886 -2.301 1.00 53.20 H new ATOM 0 H3 GLY A 1 -4.496 -6.836 -3.340 1.00 53.20 H new ATOM 0 HA2 GLY A 1 -3.545 -7.293 -0.804 1.00 34.23 H new ATOM 0 HA3 GLY A 1 -2.747 -6.469 -2.129 1.00 34.23 H new ATOM 8 N PRO A 2 -2.827 -4.972 0.215 1.00 62.23 N ATOM 9 CA PRO A 2 -2.787 -3.758 1.036 1.00 61.44 C ATOM 10 C PRO A 2 -2.341 -2.536 0.241 1.00 53.50 C ATOM 11 O PRO A 2 -2.885 -1.444 0.408 1.00 22.31 O ATOM 12 CB PRO A 2 -1.759 -4.096 2.118 1.00 30.14 C ATOM 13 CG PRO A 2 -0.883 -5.130 1.500 1.00 42.14 C ATOM 14 CD PRO A 2 -1.767 -5.927 0.581 1.00 15.04 C ATOM 0 HA PRO A 2 -3.770 -3.498 1.429 1.00 61.44 H new ATOM 0 HB2 PRO A 2 -1.187 -3.215 2.409 1.00 30.14 H new ATOM 0 HB3 PRO A 2 -2.242 -4.474 3.019 1.00 30.14 H new ATOM 0 HG2 PRO A 2 -0.063 -4.668 0.950 1.00 42.14 H new ATOM 0 HG3 PRO A 2 -0.436 -5.768 2.262 1.00 42.14 H new ATOM 0 HD2 PRO A 2 -1.223 -6.279 -0.295 1.00 15.04 H new ATOM 0 HD3 PRO A 2 -2.174 -6.808 1.078 1.00 15.04 H new ATOM 22 N GLU A 3 -1.350 -2.726 -0.624 1.00 23.34 N ATOM 23 CA GLU A 3 -0.832 -1.637 -1.444 1.00 21.35 C ATOM 24 C GLU A 3 -0.423 -2.143 -2.824 1.00 42.30 C ATOM 25 O GLU A 3 0.634 -1.782 -3.342 1.00 24.10 O ATOM 26 CB GLU A 3 0.364 -0.975 -0.756 1.00 31.54 C ATOM 27 CG GLU A 3 1.513 -1.931 -0.480 1.00 41.34 C ATOM 28 CD GLU A 3 2.519 -1.365 0.503 1.00 43.12 C ATOM 29 OE1 GLU A 3 2.336 -0.209 0.939 1.00 31.24 O ATOM 30 OE2 GLU A 3 3.490 -2.077 0.835 1.00 14.15 O ATOM 0 H GLU A 3 -0.890 -3.624 -0.775 1.00 23.34 H new ATOM 0 HA GLU A 3 -1.625 -0.899 -1.567 1.00 21.35 H new ATOM 0 HB2 GLU A 3 0.725 -0.157 -1.380 1.00 31.54 H new ATOM 0 HB3 GLU A 3 0.034 -0.536 0.185 1.00 31.54 H new ATOM 0 HG2 GLU A 3 1.116 -2.868 -0.089 1.00 41.34 H new ATOM 0 HG3 GLU A 3 2.018 -2.166 -1.417 1.00 41.34 H new ATOM 37 N LYS A 4 -1.268 -2.981 -3.415 1.00 4.10 N ATOM 38 CA LYS A 4 -0.997 -3.537 -4.735 1.00 44.34 C ATOM 39 C LYS A 4 -1.905 -2.908 -5.787 1.00 72.32 C ATOM 40 O LYS A 4 -1.537 -2.806 -6.957 1.00 54.11 O ATOM 41 CB LYS A 4 -1.189 -5.055 -4.722 1.00 2.15 C ATOM 42 CG LYS A 4 -0.163 -5.790 -3.876 1.00 72.12 C ATOM 43 CD LYS A 4 1.230 -5.686 -4.474 1.00 10.12 C ATOM 44 CE LYS A 4 2.123 -4.771 -3.650 1.00 12.40 C ATOM 45 NZ LYS A 4 3.561 -5.134 -3.780 1.00 70.45 N ATOM 0 H LYS A 4 -2.147 -3.290 -3.000 1.00 4.10 H new ATOM 0 HA LYS A 4 0.038 -3.311 -4.991 1.00 44.34 H new ATOM 0 HB2 LYS A 4 -2.187 -5.284 -4.348 1.00 2.15 H new ATOM 0 HB3 LYS A 4 -1.139 -5.428 -5.745 1.00 2.15 H new ATOM 0 HG2 LYS A 4 -0.159 -5.377 -2.867 1.00 72.12 H new ATOM 0 HG3 LYS A 4 -0.446 -6.839 -3.790 1.00 72.12 H new ATOM 0 HD2 LYS A 4 1.678 -6.678 -4.531 1.00 10.12 H new ATOM 0 HD3 LYS A 4 1.162 -5.308 -5.494 1.00 10.12 H new ATOM 0 HE2 LYS A 4 1.979 -3.739 -3.970 1.00 12.40 H new ATOM 0 HE3 LYS A 4 1.829 -4.824 -2.602 1.00 12.40 H new ATOM 0 HZ1 LYS A 4 4.136 -4.487 -3.203 1.00 70.45 H new ATOM 0 HZ2 LYS A 4 3.704 -6.110 -3.451 1.00 70.45 H new ATOM 0 HZ3 LYS A 4 3.849 -5.059 -4.776 1.00 70.45 H new ATOM 59 N MET A 5 -3.092 -2.488 -5.362 1.00 52.03 N ATOM 60 CA MET A 5 -4.052 -1.867 -6.268 1.00 43.10 C ATOM 61 C MET A 5 -3.427 -0.676 -6.988 1.00 14.21 C ATOM 62 O MET A 5 -2.427 -0.120 -6.534 1.00 74.35 O ATOM 63 CB MET A 5 -5.295 -1.418 -5.498 1.00 52.13 C ATOM 64 CG MET A 5 -6.258 -2.552 -5.185 1.00 10.44 C ATOM 65 SD MET A 5 -7.347 -2.941 -6.568 1.00 13.42 S ATOM 66 CE MET A 5 -8.816 -3.486 -5.699 1.00 41.23 C ATOM 0 H MET A 5 -3.412 -2.566 -4.397 1.00 52.03 H new ATOM 0 HA MET A 5 -4.343 -2.607 -7.013 1.00 43.10 H new ATOM 0 HB2 MET A 5 -4.984 -0.948 -4.565 1.00 52.13 H new ATOM 0 HB3 MET A 5 -5.818 -0.658 -6.079 1.00 52.13 H new ATOM 0 HG2 MET A 5 -5.690 -3.442 -4.914 1.00 10.44 H new ATOM 0 HG3 MET A 5 -6.861 -2.282 -4.318 1.00 10.44 H new ATOM 0 HE1 MET A 5 -9.584 -3.762 -6.421 1.00 41.23 H new ATOM 0 HE2 MET A 5 -8.573 -4.349 -5.079 1.00 41.23 H new ATOM 0 HE3 MET A 5 -9.186 -2.678 -5.067 1.00 41.23 H new ATOM 76 N GLU A 6 -4.024 -0.290 -8.111 1.00 50.34 N ATOM 77 CA GLU A 6 -3.524 0.835 -8.893 1.00 72.04 C ATOM 78 C GLU A 6 -4.482 1.175 -10.032 1.00 33.34 C ATOM 79 O GLU A 6 -5.455 0.460 -10.274 1.00 21.13 O ATOM 80 CB GLU A 6 -2.138 0.517 -9.457 1.00 63.11 C ATOM 81 CG GLU A 6 -2.110 -0.714 -10.348 1.00 14.04 C ATOM 82 CD GLU A 6 -0.713 -1.058 -10.825 1.00 42.52 C ATOM 83 OE1 GLU A 6 -0.005 -0.142 -11.295 1.00 11.35 O ATOM 84 OE2 GLU A 6 -0.327 -2.241 -10.730 1.00 60.21 O ATOM 0 H GLU A 6 -4.853 -0.739 -8.499 1.00 50.34 H new ATOM 0 HA GLU A 6 -3.451 1.699 -8.232 1.00 72.04 H new ATOM 0 HB2 GLU A 6 -1.781 1.375 -10.026 1.00 63.11 H new ATOM 0 HB3 GLU A 6 -1.443 0.372 -8.630 1.00 63.11 H new ATOM 0 HG2 GLU A 6 -2.522 -1.562 -9.802 1.00 14.04 H new ATOM 0 HG3 GLU A 6 -2.754 -0.547 -11.212 1.00 14.04 H new ATOM 91 N VAL A 7 -4.200 2.272 -10.727 1.00 72.22 N ATOM 92 CA VAL A 7 -5.035 2.707 -11.840 1.00 54.31 C ATOM 93 C VAL A 7 -4.648 1.994 -13.130 1.00 64.43 C ATOM 94 O VAL A 7 -3.465 1.814 -13.423 1.00 31.04 O ATOM 95 CB VAL A 7 -4.933 4.229 -12.057 1.00 63.32 C ATOM 96 CG1 VAL A 7 -3.486 4.639 -12.286 1.00 11.20 C ATOM 97 CG2 VAL A 7 -5.809 4.660 -13.223 1.00 41.44 C ATOM 0 H VAL A 7 -3.400 2.876 -10.539 1.00 72.22 H new ATOM 0 HA VAL A 7 -6.063 2.452 -11.582 1.00 54.31 H new ATOM 0 HB VAL A 7 -5.290 4.732 -11.159 1.00 63.32 H new ATOM 0 HG11 VAL A 7 -3.433 5.717 -12.437 1.00 11.20 H new ATOM 0 HG12 VAL A 7 -2.888 4.365 -11.417 1.00 11.20 H new ATOM 0 HG13 VAL A 7 -3.099 4.129 -13.168 1.00 11.20 H new ATOM 0 HG21 VAL A 7 -5.725 5.738 -13.362 1.00 41.44 H new ATOM 0 HG22 VAL A 7 -5.484 4.150 -14.130 1.00 41.44 H new ATOM 0 HG23 VAL A 7 -6.847 4.401 -13.014 1.00 41.44 H new ATOM 107 N LYS A 8 -5.652 1.588 -13.900 1.00 44.44 N ATOM 108 CA LYS A 8 -5.418 0.895 -15.162 1.00 4.23 C ATOM 109 C LYS A 8 -6.711 0.769 -15.961 1.00 65.41 C ATOM 110 O LYS A 8 -7.698 0.217 -15.477 1.00 11.13 O ATOM 111 CB LYS A 8 -4.828 -0.493 -14.903 1.00 4.13 C ATOM 112 CG LYS A 8 -5.577 -1.285 -13.846 1.00 14.25 C ATOM 113 CD LYS A 8 -5.570 -2.773 -14.154 1.00 10.32 C ATOM 114 CE LYS A 8 -6.248 -3.573 -13.053 1.00 34.43 C ATOM 115 NZ LYS A 8 -6.542 -4.969 -13.482 1.00 54.43 N ATOM 0 H LYS A 8 -6.636 1.727 -13.672 1.00 44.44 H new ATOM 0 HA LYS A 8 -4.708 1.482 -15.744 1.00 4.23 H new ATOM 0 HB2 LYS A 8 -4.827 -1.058 -15.835 1.00 4.13 H new ATOM 0 HB3 LYS A 8 -3.788 -0.385 -14.595 1.00 4.13 H new ATOM 0 HG2 LYS A 8 -5.122 -1.112 -12.871 1.00 14.25 H new ATOM 0 HG3 LYS A 8 -6.606 -0.930 -13.785 1.00 14.25 H new ATOM 0 HD2 LYS A 8 -6.079 -2.952 -15.101 1.00 10.32 H new ATOM 0 HD3 LYS A 8 -4.542 -3.116 -14.274 1.00 10.32 H new ATOM 0 HE2 LYS A 8 -5.608 -3.591 -12.171 1.00 34.43 H new ATOM 0 HE3 LYS A 8 -7.176 -3.079 -12.764 1.00 34.43 H new ATOM 0 HZ1 LYS A 8 -7.004 -5.481 -12.704 1.00 54.43 H new ATOM 0 HZ2 LYS A 8 -7.173 -4.953 -14.308 1.00 54.43 H new ATOM 0 HZ3 LYS A 8 -5.654 -5.449 -13.734 1.00 54.43 H new ATOM 129 N GLU A 9 -6.696 1.282 -17.187 1.00 64.33 N ATOM 130 CA GLU A 9 -7.868 1.225 -18.053 1.00 23.51 C ATOM 131 C GLU A 9 -7.591 0.371 -19.288 1.00 12.44 C ATOM 132 O GLU A 9 -6.569 -0.311 -19.367 1.00 73.10 O ATOM 133 CB GLU A 9 -8.286 2.634 -18.477 1.00 4.14 C ATOM 134 CG GLU A 9 -7.260 3.336 -19.351 1.00 10.12 C ATOM 135 CD GLU A 9 -7.774 4.645 -19.917 1.00 55.22 C ATOM 136 OE1 GLU A 9 -8.704 5.226 -19.320 1.00 14.12 O ATOM 137 OE2 GLU A 9 -7.246 5.089 -20.958 1.00 72.24 O ATOM 0 H GLU A 9 -5.886 1.741 -17.603 1.00 64.33 H new ATOM 0 HA GLU A 9 -8.681 0.767 -17.490 1.00 23.51 H new ATOM 0 HB2 GLU A 9 -9.232 2.577 -19.016 1.00 4.14 H new ATOM 0 HB3 GLU A 9 -8.463 3.235 -17.585 1.00 4.14 H new ATOM 0 HG2 GLU A 9 -6.360 3.526 -18.767 1.00 10.12 H new ATOM 0 HG3 GLU A 9 -6.975 2.677 -20.171 1.00 10.12 H new ATOM 144 N ILE A 10 -8.509 0.415 -20.247 1.00 41.44 N ATOM 145 CA ILE A 10 -8.364 -0.352 -21.478 1.00 31.41 C ATOM 146 C ILE A 10 -7.640 0.456 -22.549 1.00 4.45 C ATOM 147 O ILE A 10 -8.197 0.745 -23.607 1.00 22.32 O ATOM 148 CB ILE A 10 -9.732 -0.800 -22.026 1.00 62.13 C ATOM 149 CG1 ILE A 10 -10.564 -1.447 -20.917 1.00 2.31 C ATOM 150 CG2 ILE A 10 -9.547 -1.765 -23.188 1.00 24.22 C ATOM 151 CD1 ILE A 10 -11.848 -0.706 -20.615 1.00 23.12 C ATOM 0 H ILE A 10 -9.361 0.973 -20.196 1.00 41.44 H new ATOM 0 HA ILE A 10 -7.773 -1.234 -21.232 1.00 31.41 H new ATOM 0 HB ILE A 10 -10.266 0.078 -22.389 1.00 62.13 H new ATOM 0 HG12 ILE A 10 -10.804 -2.471 -21.204 1.00 2.31 H new ATOM 0 HG13 ILE A 10 -9.964 -1.503 -20.009 1.00 2.31 H new ATOM 0 HG21 ILE A 10 -10.523 -2.073 -23.564 1.00 24.22 H new ATOM 0 HG22 ILE A 10 -8.989 -1.273 -23.985 1.00 24.22 H new ATOM 0 HG23 ILE A 10 -8.996 -2.642 -22.848 1.00 24.22 H new ATOM 0 HD11 ILE A 10 -12.387 -1.221 -19.819 1.00 23.12 H new ATOM 0 HD12 ILE A 10 -11.615 0.310 -20.297 1.00 23.12 H new ATOM 0 HD13 ILE A 10 -12.468 -0.673 -21.511 1.00 23.12 H new ATOM 163 N GLY A 11 -6.392 0.818 -22.266 1.00 42.51 N ATOM 164 CA GLY A 11 -5.610 1.589 -23.215 1.00 51.23 C ATOM 165 C GLY A 11 -4.480 0.784 -23.825 1.00 24.14 C ATOM 166 O GLY A 11 -3.414 0.644 -23.224 1.00 11.31 O ATOM 0 H GLY A 11 -5.909 0.591 -21.397 1.00 42.51 H new ATOM 0 HA2 GLY A 11 -6.263 1.952 -24.009 1.00 51.23 H new ATOM 0 HA3 GLY A 11 -5.199 2.466 -22.715 1.00 51.23 H new ATOM 170 N ARG A 12 -4.712 0.251 -25.020 1.00 1.32 N ATOM 171 CA ARG A 12 -3.705 -0.547 -25.709 1.00 54.02 C ATOM 172 C ARG A 12 -3.673 -0.214 -27.198 1.00 12.41 C ATOM 173 O ARG A 12 -4.015 -1.046 -28.038 1.00 44.11 O ATOM 174 CB ARG A 12 -3.986 -2.038 -25.516 1.00 31.34 C ATOM 175 CG ARG A 12 -3.466 -2.590 -24.198 1.00 51.21 C ATOM 176 CD ARG A 12 -3.220 -4.088 -24.280 1.00 32.32 C ATOM 177 NE ARG A 12 -1.806 -4.401 -24.470 1.00 34.32 N ATOM 178 CZ ARG A 12 -1.296 -5.618 -24.315 1.00 2.24 C ATOM 179 NH1 ARG A 12 -2.079 -6.630 -23.969 1.00 72.13 N ATOM 180 NH2 ARG A 12 0.001 -5.824 -24.505 1.00 41.45 N ATOM 0 H ARG A 12 -5.588 0.357 -25.531 1.00 1.32 H new ATOM 0 HA ARG A 12 -2.732 -0.308 -25.279 1.00 54.02 H new ATOM 0 HB2 ARG A 12 -5.061 -2.207 -25.572 1.00 31.34 H new ATOM 0 HB3 ARG A 12 -3.533 -2.594 -26.337 1.00 31.34 H new ATOM 0 HG2 ARG A 12 -2.540 -2.082 -23.930 1.00 51.21 H new ATOM 0 HG3 ARG A 12 -4.185 -2.381 -23.406 1.00 51.21 H new ATOM 0 HD2 ARG A 12 -3.577 -4.564 -23.367 1.00 32.32 H new ATOM 0 HD3 ARG A 12 -3.798 -4.506 -25.105 1.00 32.32 H new ATOM 0 HE ARG A 12 -1.176 -3.644 -24.736 1.00 34.32 H new ATOM 0 HH11 ARG A 12 -3.076 -6.476 -23.821 1.00 72.13 H new ATOM 0 HH12 ARG A 12 -1.684 -7.563 -23.851 1.00 72.13 H new ATOM 0 HH21 ARG A 12 0.607 -5.048 -24.770 1.00 41.45 H new ATOM 0 HH22 ARG A 12 0.392 -6.759 -24.386 1.00 41.45 H new ATOM 194 N SER A 13 -3.261 1.009 -27.516 1.00 51.35 N ATOM 195 CA SER A 13 -3.188 1.454 -28.903 1.00 55.42 C ATOM 196 C SER A 13 -1.767 1.325 -29.441 1.00 43.44 C ATOM 197 O SER A 13 -0.866 0.863 -28.741 1.00 42.24 O ATOM 198 CB SER A 13 -3.661 2.905 -29.021 1.00 23.22 C ATOM 199 OG SER A 13 -3.801 3.501 -27.743 1.00 22.22 O ATOM 0 H SER A 13 -2.973 1.709 -26.833 1.00 51.35 H new ATOM 0 HA SER A 13 -3.842 0.817 -29.498 1.00 55.42 H new ATOM 0 HB2 SER A 13 -2.948 3.476 -29.616 1.00 23.22 H new ATOM 0 HB3 SER A 13 -4.615 2.938 -29.548 1.00 23.22 H new ATOM 0 HG SER A 13 -4.102 4.428 -27.846 1.00 22.22 H new ATOM 205 N SER A 14 -1.574 1.737 -30.690 1.00 42.42 N ATOM 206 CA SER A 14 -0.263 1.665 -31.325 1.00 71.13 C ATOM 207 C SER A 14 0.250 3.059 -31.672 1.00 43.12 C ATOM 208 O SER A 14 0.926 3.251 -32.683 1.00 45.20 O ATOM 209 CB SER A 14 -0.332 0.805 -32.589 1.00 11.40 C ATOM 210 OG SER A 14 -0.243 -0.573 -32.273 1.00 70.35 O ATOM 0 H SER A 14 -2.309 2.124 -31.282 1.00 42.42 H new ATOM 0 HA SER A 14 0.430 1.207 -30.620 1.00 71.13 H new ATOM 0 HB2 SER A 14 -1.266 1.001 -33.116 1.00 11.40 H new ATOM 0 HB3 SER A 14 0.478 1.080 -33.264 1.00 11.40 H new ATOM 0 HG SER A 14 -0.291 -1.101 -33.097 1.00 70.35 H new ATOM 216 N LYS A 15 -0.076 4.030 -30.826 1.00 40.31 N ATOM 217 CA LYS A 15 0.352 5.408 -31.040 1.00 33.30 C ATOM 218 C LYS A 15 1.862 5.540 -30.874 1.00 2.41 C ATOM 219 O LYS A 15 2.465 4.870 -30.035 1.00 71.12 O ATOM 220 CB LYS A 15 -0.364 6.343 -30.063 1.00 4.14 C ATOM 221 CG LYS A 15 0.203 6.300 -28.654 1.00 43.01 C ATOM 222 CD LYS A 15 -0.286 5.080 -27.893 1.00 35.41 C ATOM 223 CE LYS A 15 0.791 4.010 -27.801 1.00 43.31 C ATOM 224 NZ LYS A 15 0.728 3.268 -26.511 1.00 42.45 N ATOM 0 H LYS A 15 -0.636 3.888 -29.985 1.00 40.31 H new ATOM 0 HA LYS A 15 0.091 5.690 -32.060 1.00 33.30 H new ATOM 0 HB2 LYS A 15 -0.303 7.364 -30.439 1.00 4.14 H new ATOM 0 HB3 LYS A 15 -1.421 6.079 -30.029 1.00 4.14 H new ATOM 0 HG2 LYS A 15 1.292 6.289 -28.699 1.00 43.01 H new ATOM 0 HG3 LYS A 15 -0.085 7.204 -28.117 1.00 43.01 H new ATOM 0 HD2 LYS A 15 -0.593 5.375 -26.890 1.00 35.41 H new ATOM 0 HD3 LYS A 15 -1.166 4.670 -28.388 1.00 35.41 H new ATOM 0 HE2 LYS A 15 0.678 3.310 -28.629 1.00 43.31 H new ATOM 0 HE3 LYS A 15 1.772 4.473 -27.906 1.00 43.31 H new ATOM 0 HZ1 LYS A 15 1.478 2.548 -26.488 1.00 42.45 H new ATOM 0 HZ2 LYS A 15 0.861 3.932 -25.722 1.00 42.45 H new ATOM 0 HZ3 LYS A 15 -0.199 2.805 -26.422 1.00 42.45 H new ATOM 238 N ILE A 16 2.467 6.410 -31.677 1.00 30.53 N ATOM 239 CA ILE A 16 3.906 6.631 -31.616 1.00 3.21 C ATOM 240 C ILE A 16 4.310 7.851 -32.437 1.00 13.43 C ATOM 241 O ILE A 16 3.499 8.410 -33.177 1.00 22.24 O ATOM 242 CB ILE A 16 4.687 5.404 -32.123 1.00 52.34 C ATOM 243 CG1 ILE A 16 3.817 4.575 -33.070 1.00 52.03 C ATOM 244 CG2 ILE A 16 5.161 4.557 -30.952 1.00 61.23 C ATOM 245 CD1 ILE A 16 4.589 3.521 -33.833 1.00 52.31 C ATOM 0 H ILE A 16 1.983 6.972 -32.377 1.00 30.53 H new ATOM 0 HA ILE A 16 4.154 6.802 -30.568 1.00 3.21 H new ATOM 0 HB ILE A 16 5.562 5.750 -32.673 1.00 52.34 H new ATOM 0 HG12 ILE A 16 3.028 4.091 -32.495 1.00 52.03 H new ATOM 0 HG13 ILE A 16 3.330 5.243 -33.781 1.00 52.03 H new ATOM 0 HG21 ILE A 16 5.711 3.694 -31.327 1.00 61.23 H new ATOM 0 HG22 ILE A 16 5.812 5.153 -30.312 1.00 61.23 H new ATOM 0 HG23 ILE A 16 4.300 4.217 -30.377 1.00 61.23 H new ATOM 0 HD11 ILE A 16 3.909 2.972 -34.484 1.00 52.31 H new ATOM 0 HD12 ILE A 16 5.361 4.000 -34.435 1.00 52.31 H new ATOM 0 HD13 ILE A 16 5.054 2.830 -33.130 1.00 52.31 H new ATOM 257 N ILE A 17 5.567 8.259 -32.302 1.00 22.21 N ATOM 258 CA ILE A 17 6.079 9.411 -33.033 1.00 70.04 C ATOM 259 C ILE A 17 7.123 8.990 -34.061 1.00 65.15 C ATOM 260 O ILE A 17 7.644 7.874 -34.013 1.00 53.33 O ATOM 261 CB ILE A 17 6.701 10.451 -32.082 1.00 61.44 C ATOM 262 CG1 ILE A 17 7.855 9.827 -31.294 1.00 72.03 C ATOM 263 CG2 ILE A 17 5.644 11.003 -31.137 1.00 45.05 C ATOM 264 CD1 ILE A 17 7.422 9.189 -29.993 1.00 2.23 C ATOM 0 H ILE A 17 6.250 7.809 -31.693 1.00 22.21 H new ATOM 0 HA ILE A 17 5.229 9.862 -33.545 1.00 70.04 H new ATOM 0 HB ILE A 17 7.095 11.276 -32.676 1.00 61.44 H new ATOM 0 HG12 ILE A 17 8.343 9.075 -31.914 1.00 72.03 H new ATOM 0 HG13 ILE A 17 8.598 10.596 -31.083 1.00 72.03 H new ATOM 0 HG21 ILE A 17 6.099 11.737 -30.471 1.00 45.05 H new ATOM 0 HG22 ILE A 17 4.852 11.479 -31.715 1.00 45.05 H new ATOM 0 HG23 ILE A 17 5.223 10.189 -30.547 1.00 45.05 H new ATOM 0 HD11 ILE A 17 8.291 8.767 -29.488 1.00 2.23 H new ATOM 0 HD12 ILE A 17 6.961 9.942 -29.354 1.00 2.23 H new ATOM 0 HD13 ILE A 17 6.702 8.397 -30.198 1.00 2.23 H new ATOM 276 N LEU A 18 7.428 9.890 -34.990 1.00 74.42 N ATOM 277 CA LEU A 18 8.412 9.613 -36.030 1.00 65.23 C ATOM 278 C LEU A 18 9.350 10.800 -36.222 1.00 42.41 C ATOM 279 O LEU A 18 8.971 11.842 -36.757 1.00 52.31 O ATOM 280 CB LEU A 18 7.711 9.284 -37.349 1.00 64.34 C ATOM 281 CG LEU A 18 8.624 9.042 -38.552 1.00 71.13 C ATOM 282 CD1 LEU A 18 8.959 10.356 -39.240 1.00 64.15 C ATOM 283 CD2 LEU A 18 9.895 8.323 -38.122 1.00 55.40 C ATOM 0 H LEU A 18 7.008 10.818 -35.044 1.00 74.42 H new ATOM 0 HA LEU A 18 9.003 8.753 -35.716 1.00 65.23 H new ATOM 0 HB2 LEU A 18 7.097 8.396 -37.199 1.00 64.34 H new ATOM 0 HB3 LEU A 18 7.033 10.103 -37.591 1.00 64.34 H new ATOM 0 HG LEU A 18 8.095 8.407 -39.263 1.00 71.13 H new ATOM 0 HD11 LEU A 18 9.609 10.164 -40.093 1.00 64.15 H new ATOM 0 HD12 LEU A 18 8.040 10.831 -39.583 1.00 64.15 H new ATOM 0 HD13 LEU A 18 9.468 11.015 -38.537 1.00 64.15 H new ATOM 0 HD21 LEU A 18 10.532 8.159 -38.991 1.00 55.40 H new ATOM 0 HD22 LEU A 18 10.428 8.931 -37.391 1.00 55.40 H new ATOM 0 HD23 LEU A 18 9.637 7.363 -37.676 1.00 55.40 H new ATOM 295 N PRO A 19 10.606 10.641 -35.777 1.00 53.25 N ATOM 296 CA PRO A 19 11.625 11.689 -35.892 1.00 33.23 C ATOM 297 C PRO A 19 12.061 11.919 -37.335 1.00 34.33 C ATOM 298 O PRO A 19 12.113 10.984 -38.134 1.00 11.05 O ATOM 299 CB PRO A 19 12.789 11.143 -35.062 1.00 23.22 C ATOM 300 CG PRO A 19 12.611 9.664 -35.086 1.00 63.14 C ATOM 301 CD PRO A 19 11.127 9.426 -35.130 1.00 2.14 C ATOM 0 HA PRO A 19 11.256 12.656 -35.550 1.00 33.23 H new ATOM 0 HB2 PRO A 19 13.749 11.433 -35.488 1.00 23.22 H new ATOM 0 HB3 PRO A 19 12.763 11.528 -34.043 1.00 23.22 H new ATOM 0 HG2 PRO A 19 13.102 9.226 -35.955 1.00 63.14 H new ATOM 0 HG3 PRO A 19 13.054 9.203 -34.203 1.00 63.14 H new ATOM 0 HD2 PRO A 19 10.880 8.530 -35.700 1.00 2.14 H new ATOM 0 HD3 PRO A 19 10.712 9.293 -34.131 1.00 2.14 H new ATOM 309 N ALA A 20 12.373 13.168 -37.662 1.00 10.42 N ATOM 310 CA ALA A 20 12.807 13.520 -39.008 1.00 71.01 C ATOM 311 C ALA A 20 13.137 15.005 -39.108 1.00 53.43 C ATOM 312 O ALA A 20 14.305 15.390 -39.172 1.00 71.42 O ATOM 313 CB ALA A 20 11.736 13.146 -40.022 1.00 62.53 C ATOM 0 H ALA A 20 12.333 13.954 -37.013 1.00 10.42 H new ATOM 0 HA ALA A 20 13.714 12.958 -39.229 1.00 71.01 H new ATOM 0 HB1 ALA A 20 12.073 13.414 -41.023 1.00 62.53 H new ATOM 0 HB2 ALA A 20 11.551 12.073 -39.977 1.00 62.53 H new ATOM 0 HB3 ALA A 20 10.815 13.683 -39.793 1.00 62.53 H new ATOM 319 N CYS A 21 12.100 15.837 -39.122 1.00 45.12 N ATOM 320 CA CYS A 21 12.279 17.281 -39.216 1.00 24.12 C ATOM 321 C CYS A 21 11.709 17.981 -37.986 1.00 34.33 C ATOM 322 O CYS A 21 12.333 18.881 -37.426 1.00 1.31 O ATOM 323 CB CYS A 21 11.606 17.818 -40.480 1.00 40.42 C ATOM 324 SG CYS A 21 11.523 19.636 -40.563 1.00 12.32 S ATOM 0 H CYS A 21 11.127 15.535 -39.069 1.00 45.12 H new ATOM 0 HA CYS A 21 13.348 17.487 -39.266 1.00 24.12 H new ATOM 0 HB2 CYS A 21 12.147 17.450 -41.351 1.00 40.42 H new ATOM 0 HB3 CYS A 21 10.595 17.416 -40.539 1.00 40.42 H new ATOM 329 N MET A 22 10.518 17.559 -37.571 1.00 44.20 N ATOM 330 CA MET A 22 9.864 18.144 -36.406 1.00 41.24 C ATOM 331 C MET A 22 9.225 17.063 -35.541 1.00 63.52 C ATOM 332 O MET A 22 9.465 15.871 -35.742 1.00 12.34 O ATOM 333 CB MET A 22 8.803 19.155 -36.845 1.00 42.42 C ATOM 334 CG MET A 22 8.849 20.460 -36.067 1.00 14.23 C ATOM 335 SD MET A 22 10.374 21.381 -36.343 1.00 52.32 S ATOM 336 CE MET A 22 10.989 21.528 -34.668 1.00 10.45 C ATOM 0 H MET A 22 9.987 16.815 -38.024 1.00 44.20 H new ATOM 0 HA MET A 22 10.622 18.657 -35.814 1.00 41.24 H new ATOM 0 HB2 MET A 22 8.934 19.369 -37.906 1.00 42.42 H new ATOM 0 HB3 MET A 22 7.816 18.707 -36.729 1.00 42.42 H new ATOM 0 HG2 MET A 22 7.999 21.079 -36.353 1.00 14.23 H new ATOM 0 HG3 MET A 22 8.745 20.248 -35.003 1.00 14.23 H new ATOM 0 HE1 MET A 22 11.931 22.076 -34.673 1.00 10.45 H new ATOM 0 HE2 MET A 22 10.261 22.063 -34.059 1.00 10.45 H new ATOM 0 HE3 MET A 22 11.150 20.534 -34.251 1.00 10.45 H new ATOM 346 N HIS A 23 8.412 17.485 -34.578 1.00 72.34 N ATOM 347 CA HIS A 23 7.738 16.551 -33.683 1.00 3.24 C ATOM 348 C HIS A 23 6.383 16.137 -34.248 1.00 42.04 C ATOM 349 O HIS A 23 5.445 16.933 -34.281 1.00 21.50 O ATOM 350 CB HIS A 23 7.557 17.179 -32.300 1.00 74.13 C ATOM 351 CG HIS A 23 8.814 17.210 -31.487 1.00 14.13 C ATOM 352 ND1 HIS A 23 8.829 17.043 -30.118 1.00 74.41 N ATOM 353 CD2 HIS A 23 10.103 17.389 -31.856 1.00 43.25 C ATOM 354 CE1 HIS A 23 10.073 17.119 -29.681 1.00 30.00 C ATOM 355 NE2 HIS A 23 10.866 17.328 -30.716 1.00 41.42 N ATOM 0 H HIS A 23 8.204 18.467 -34.397 1.00 72.34 H new ATOM 0 HA HIS A 23 8.360 15.661 -33.592 1.00 3.24 H new ATOM 0 HB2 HIS A 23 7.185 18.197 -32.418 1.00 74.13 H new ATOM 0 HB3 HIS A 23 6.795 16.623 -31.754 1.00 74.13 H new ATOM 0 HD2 HIS A 23 10.465 17.550 -32.861 1.00 43.25 H new ATOM 0 HE1 HIS A 23 10.388 17.026 -28.652 1.00 30.00 H new ATOM 0 HE2 HIS A 23 11.880 17.428 -30.675 1.00 41.42 H new ATOM 363 N GLU A 24 6.290 14.888 -34.693 1.00 72.23 N ATOM 364 CA GLU A 24 5.050 14.370 -35.259 1.00 73.11 C ATOM 365 C GLU A 24 4.584 13.128 -34.504 1.00 62.14 C ATOM 366 O GLU A 24 5.345 12.527 -33.745 1.00 14.05 O ATOM 367 CB GLU A 24 5.238 14.039 -36.741 1.00 24.30 C ATOM 368 CG GLU A 24 6.438 13.149 -37.018 1.00 25.23 C ATOM 369 CD GLU A 24 7.373 13.736 -38.057 1.00 41.52 C ATOM 370 OE1 GLU A 24 7.171 13.465 -39.259 1.00 72.20 O ATOM 371 OE2 GLU A 24 8.307 14.469 -37.668 1.00 21.40 O ATOM 0 H GLU A 24 7.058 14.217 -34.673 1.00 72.23 H new ATOM 0 HA GLU A 24 4.286 15.142 -35.161 1.00 73.11 H new ATOM 0 HB2 GLU A 24 4.338 13.548 -37.112 1.00 24.30 H new ATOM 0 HB3 GLU A 24 5.348 14.968 -37.301 1.00 24.30 H new ATOM 0 HG2 GLU A 24 6.987 12.987 -36.091 1.00 25.23 H new ATOM 0 HG3 GLU A 24 6.091 12.173 -37.357 1.00 25.23 H new ATOM 378 N THR A 25 3.328 12.748 -34.719 1.00 3.22 N ATOM 379 CA THR A 25 2.760 11.580 -34.059 1.00 33.13 C ATOM 380 C THR A 25 1.695 10.921 -34.928 1.00 61.12 C ATOM 381 O THR A 25 1.189 11.526 -35.874 1.00 65.21 O ATOM 382 CB THR A 25 2.139 11.950 -32.699 1.00 33.14 C ATOM 383 OG1 THR A 25 2.955 12.922 -32.036 1.00 14.14 O ATOM 384 CG2 THR A 25 1.992 10.718 -31.818 1.00 13.22 C ATOM 0 H THR A 25 2.685 13.233 -35.345 1.00 3.22 H new ATOM 0 HA THR A 25 3.579 10.879 -33.898 1.00 33.13 H new ATOM 0 HB THR A 25 1.149 12.369 -32.879 1.00 33.14 H new ATOM 0 HG1 THR A 25 2.553 13.153 -31.173 1.00 14.14 H new ATOM 0 HG21 THR A 25 1.551 11.004 -30.863 1.00 13.22 H new ATOM 0 HG22 THR A 25 1.347 9.992 -32.312 1.00 13.22 H new ATOM 0 HG23 THR A 25 2.973 10.274 -31.647 1.00 13.22 H new ATOM 392 N CYS A 26 1.358 9.678 -34.602 1.00 72.31 N ATOM 393 CA CYS A 26 0.352 8.936 -35.353 1.00 64.40 C ATOM 394 C CYS A 26 -0.274 7.843 -34.491 1.00 64.11 C ATOM 395 O CYS A 26 0.396 7.238 -33.654 1.00 43.10 O ATOM 396 CB CYS A 26 0.975 8.318 -36.607 1.00 20.35 C ATOM 397 SG CYS A 26 -0.215 8.001 -37.949 1.00 20.21 S ATOM 0 H CYS A 26 1.767 9.163 -33.822 1.00 72.31 H new ATOM 0 HA CYS A 26 -0.431 9.633 -35.650 1.00 64.40 H new ATOM 0 HB2 CYS A 26 1.755 8.983 -36.977 1.00 20.35 H new ATOM 0 HB3 CYS A 26 1.458 7.380 -36.335 1.00 20.35 H new ATOM 402 N SER A 27 -1.562 7.596 -34.703 1.00 33.42 N ATOM 403 CA SER A 27 -2.280 6.579 -33.943 1.00 72.44 C ATOM 404 C SER A 27 -3.622 6.260 -34.596 1.00 31.14 C ATOM 405 O SER A 27 -4.461 7.141 -34.779 1.00 2.10 O ATOM 406 CB SER A 27 -2.499 7.047 -32.503 1.00 64.43 C ATOM 407 OG SER A 27 -2.973 5.988 -31.689 1.00 70.04 O ATOM 0 H SER A 27 -2.130 8.086 -35.394 1.00 33.42 H new ATOM 0 HA SER A 27 -1.675 5.673 -33.934 1.00 72.44 H new ATOM 0 HB2 SER A 27 -1.564 7.432 -32.096 1.00 64.43 H new ATOM 0 HB3 SER A 27 -3.215 7.869 -32.489 1.00 64.43 H new ATOM 0 HG SER A 27 -3.893 5.766 -31.943 1.00 70.04 H new ATOM 413 N GLY A 28 -3.817 4.992 -34.944 1.00 74.33 N ATOM 414 CA GLY A 28 -5.058 4.578 -35.572 1.00 74.25 C ATOM 415 C GLY A 28 -5.527 3.219 -35.091 1.00 11.14 C ATOM 416 O GLY A 28 -5.183 2.193 -35.675 1.00 72.22 O ATOM 0 H GLY A 28 -3.138 4.244 -34.802 1.00 74.33 H new ATOM 0 HA2 GLY A 28 -5.830 5.319 -35.366 1.00 74.25 H new ATOM 0 HA3 GLY A 28 -4.923 4.550 -36.653 1.00 74.25 H new ATOM 420 N GLY A 29 -6.314 3.212 -34.019 1.00 33.00 N ATOM 421 CA GLY A 29 -6.816 1.963 -33.476 1.00 14.43 C ATOM 422 C GLY A 29 -7.693 2.172 -32.257 1.00 1.42 C ATOM 423 O GLY A 29 -8.641 1.421 -32.029 1.00 55.31 O ATOM 0 H GLY A 29 -6.613 4.048 -33.517 1.00 33.00 H new ATOM 0 HA2 GLY A 29 -7.385 1.439 -34.244 1.00 14.43 H new ATOM 0 HA3 GLY A 29 -5.975 1.322 -33.210 1.00 14.43 H new ATOM 427 N PHE A 30 -7.375 3.195 -31.469 1.00 62.45 N ATOM 428 CA PHE A 30 -8.139 3.499 -30.265 1.00 61.32 C ATOM 429 C PHE A 30 -7.997 4.970 -29.888 1.00 40.52 C ATOM 430 O PHE A 30 -8.969 5.620 -29.503 1.00 2.04 O ATOM 431 CB PHE A 30 -7.675 2.616 -29.105 1.00 5.23 C ATOM 432 CG PHE A 30 -8.428 2.859 -27.828 1.00 75.44 C ATOM 433 CD1 PHE A 30 -9.794 2.633 -27.761 1.00 61.33 C ATOM 434 CD2 PHE A 30 -7.772 3.312 -26.696 1.00 22.23 C ATOM 435 CE1 PHE A 30 -10.490 2.856 -26.588 1.00 60.34 C ATOM 436 CE2 PHE A 30 -8.463 3.536 -25.520 1.00 4.23 C ATOM 437 CZ PHE A 30 -9.823 3.307 -25.466 1.00 34.21 C ATOM 0 H PHE A 30 -6.593 3.827 -31.643 1.00 62.45 H new ATOM 0 HA PHE A 30 -9.190 3.295 -30.470 1.00 61.32 H new ATOM 0 HB2 PHE A 30 -7.785 1.569 -29.389 1.00 5.23 H new ATOM 0 HB3 PHE A 30 -6.613 2.789 -28.930 1.00 5.23 H new ATOM 0 HD1 PHE A 30 -10.320 2.279 -28.635 1.00 61.33 H new ATOM 0 HD2 PHE A 30 -6.708 3.492 -26.732 1.00 22.23 H new ATOM 0 HE1 PHE A 30 -11.554 2.678 -26.549 1.00 60.34 H new ATOM 0 HE2 PHE A 30 -7.939 3.890 -24.644 1.00 4.23 H new ATOM 0 HZ PHE A 30 -10.365 3.480 -24.548 1.00 34.21 H new ATOM 447 N SER A 31 -6.779 5.490 -30.002 1.00 64.52 N ATOM 448 CA SER A 31 -6.507 6.883 -29.669 1.00 53.14 C ATOM 449 C SER A 31 -6.944 7.807 -30.802 1.00 14.10 C ATOM 450 O SER A 31 -7.474 8.893 -30.564 1.00 11.34 O ATOM 451 CB SER A 31 -5.018 7.080 -29.381 1.00 63.05 C ATOM 452 OG SER A 31 -4.756 7.030 -27.990 1.00 14.34 O ATOM 0 H SER A 31 -5.964 4.967 -30.323 1.00 64.52 H new ATOM 0 HA SER A 31 -7.078 7.135 -28.776 1.00 53.14 H new ATOM 0 HB2 SER A 31 -4.441 6.309 -29.891 1.00 63.05 H new ATOM 0 HB3 SER A 31 -4.691 8.040 -29.781 1.00 63.05 H new ATOM 0 HG SER A 31 -3.797 7.157 -27.833 1.00 14.34 H new ATOM 458 N LEU A 32 -6.719 7.368 -32.035 1.00 41.23 N ATOM 459 CA LEU A 32 -7.089 8.155 -33.207 1.00 21.30 C ATOM 460 C LEU A 32 -6.532 9.571 -33.110 1.00 0.31 C ATOM 461 O LEU A 32 -7.193 10.477 -32.602 1.00 34.14 O ATOM 462 CB LEU A 32 -8.611 8.202 -33.354 1.00 62.32 C ATOM 463 CG LEU A 32 -9.150 9.098 -34.469 1.00 42.25 C ATOM 464 CD1 LEU A 32 -8.663 8.614 -35.826 1.00 65.22 C ATOM 465 CD2 LEU A 32 -10.670 9.141 -34.431 1.00 55.21 C ATOM 0 H LEU A 32 -6.282 6.472 -32.250 1.00 41.23 H new ATOM 0 HA LEU A 32 -6.660 7.675 -34.087 1.00 21.30 H new ATOM 0 HB2 LEU A 32 -8.971 7.187 -33.525 1.00 62.32 H new ATOM 0 HB3 LEU A 32 -9.037 8.537 -32.408 1.00 62.32 H new ATOM 0 HG LEU A 32 -8.773 10.108 -34.310 1.00 42.25 H new ATOM 0 HD11 LEU A 32 -9.057 9.264 -36.607 1.00 65.22 H new ATOM 0 HD12 LEU A 32 -7.574 8.636 -35.851 1.00 65.22 H new ATOM 0 HD13 LEU A 32 -9.009 7.594 -35.994 1.00 65.22 H new ATOM 0 HD21 LEU A 32 -11.036 9.784 -35.232 1.00 55.21 H new ATOM 0 HD22 LEU A 32 -11.066 8.134 -34.564 1.00 55.21 H new ATOM 0 HD23 LEU A 32 -10.999 9.536 -33.470 1.00 55.21 H new ATOM 477 N LYS A 33 -5.312 9.757 -33.603 1.00 31.13 N ATOM 478 CA LYS A 33 -4.666 11.064 -33.576 1.00 30.25 C ATOM 479 C LYS A 33 -3.345 11.034 -34.338 1.00 31.32 C ATOM 480 O LYS A 33 -2.812 9.965 -34.633 1.00 33.24 O ATOM 481 CB LYS A 33 -4.423 11.506 -32.131 1.00 32.54 C ATOM 482 CG LYS A 33 -3.750 10.446 -31.276 1.00 1.04 C ATOM 483 CD LYS A 33 -3.542 10.929 -29.850 1.00 43.31 C ATOM 484 CE LYS A 33 -2.419 11.952 -29.767 1.00 0.03 C ATOM 485 NZ LYS A 33 -1.575 11.752 -28.556 1.00 71.12 N ATOM 0 H LYS A 33 -4.750 9.018 -34.026 1.00 31.13 H new ATOM 0 HA LYS A 33 -5.330 11.779 -34.062 1.00 30.25 H new ATOM 0 HB2 LYS A 33 -3.806 12.404 -32.134 1.00 32.54 H new ATOM 0 HB3 LYS A 33 -5.377 11.776 -31.677 1.00 32.54 H new ATOM 0 HG2 LYS A 33 -4.359 9.542 -31.270 1.00 1.04 H new ATOM 0 HG3 LYS A 33 -2.788 10.180 -31.715 1.00 1.04 H new ATOM 0 HD2 LYS A 33 -4.466 11.370 -29.476 1.00 43.31 H new ATOM 0 HD3 LYS A 33 -3.311 10.080 -29.207 1.00 43.31 H new ATOM 0 HE2 LYS A 33 -1.797 11.881 -30.659 1.00 0.03 H new ATOM 0 HE3 LYS A 33 -2.843 12.956 -29.753 1.00 0.03 H new ATOM 0 HZ1 LYS A 33 -0.821 12.468 -28.536 1.00 71.12 H new ATOM 0 HZ2 LYS A 33 -2.164 11.844 -27.704 1.00 71.12 H new ATOM 0 HZ3 LYS A 33 -1.150 10.803 -28.582 1.00 71.12 H new ATOM 499 N ASN A 34 -2.822 12.214 -34.653 1.00 3.15 N ATOM 500 CA ASN A 34 -1.562 12.322 -35.380 1.00 12.32 C ATOM 501 C ASN A 34 -1.063 13.764 -35.392 1.00 32.01 C ATOM 502 O ASN A 34 -1.823 14.693 -35.667 1.00 73.50 O ATOM 503 CB ASN A 34 -1.732 11.818 -36.814 1.00 74.41 C ATOM 504 CG ASN A 34 -3.122 12.084 -37.360 1.00 31.04 C ATOM 505 OD1 ASN A 34 -3.816 11.166 -37.796 1.00 33.31 O ATOM 506 ND2 ASN A 34 -3.534 13.346 -37.337 1.00 54.13 N ATOM 0 H ASN A 34 -3.251 13.109 -34.417 1.00 3.15 H new ATOM 0 HA ASN A 34 -0.823 11.704 -34.870 1.00 12.32 H new ATOM 0 HB2 ASN A 34 -0.994 12.300 -37.455 1.00 74.41 H new ATOM 0 HB3 ASN A 34 -1.531 10.747 -36.846 1.00 74.41 H new ATOM 0 HD21 ASN A 34 -4.460 13.587 -37.690 1.00 54.13 H new ATOM 0 HD22 ASN A 34 -2.924 14.075 -36.966 1.00 54.13 H new ATOM 513 N ASP A 35 0.219 13.943 -35.093 1.00 33.03 N ATOM 514 CA ASP A 35 0.820 15.271 -35.071 1.00 5.13 C ATOM 515 C ASP A 35 1.558 15.555 -36.376 1.00 11.25 C ATOM 516 O ASP A 35 2.464 14.817 -36.763 1.00 31.53 O ATOM 517 CB ASP A 35 1.782 15.399 -33.889 1.00 24.05 C ATOM 518 CG ASP A 35 1.204 16.228 -32.758 1.00 61.25 C ATOM 519 OD1 ASP A 35 1.278 17.472 -32.838 1.00 30.44 O ATOM 520 OD2 ASP A 35 0.678 15.632 -31.794 1.00 42.45 O ATOM 0 H ASP A 35 0.862 13.185 -34.863 1.00 33.03 H new ATOM 0 HA ASP A 35 0.020 16.003 -34.960 1.00 5.13 H new ATOM 0 HB2 ASP A 35 2.030 14.405 -33.517 1.00 24.05 H new ATOM 0 HB3 ASP A 35 2.713 15.853 -34.229 1.00 24.05 H new ATOM 525 N CYS A 36 1.163 16.630 -37.050 1.00 62.34 N ATOM 526 CA CYS A 36 1.785 17.011 -38.313 1.00 14.53 C ATOM 527 C CYS A 36 3.286 17.223 -38.138 1.00 13.21 C ATOM 528 O CYS A 36 3.834 16.993 -37.060 1.00 32.10 O ATOM 529 CB CYS A 36 1.139 18.287 -38.858 1.00 73.41 C ATOM 530 SG CYS A 36 -0.677 18.206 -38.982 1.00 60.25 S ATOM 0 H CYS A 36 0.416 17.252 -36.743 1.00 62.34 H new ATOM 0 HA CYS A 36 1.631 16.200 -39.025 1.00 14.53 H new ATOM 0 HB2 CYS A 36 1.412 19.123 -38.214 1.00 73.41 H new ATOM 0 HB3 CYS A 36 1.551 18.497 -39.845 1.00 73.41 H new ATOM 0 HG CYS A 36 -1.034 17.014 -39.357 1.00 60.25 H new ATOM 535 N TRP A 37 3.943 17.663 -39.204 1.00 43.15 N ATOM 536 CA TRP A 37 5.381 17.906 -39.169 1.00 40.41 C ATOM 537 C TRP A 37 5.688 19.386 -39.372 1.00 31.00 C ATOM 538 O TRP A 37 4.779 20.208 -39.491 1.00 10.22 O ATOM 539 CB TRP A 37 6.086 17.075 -40.242 1.00 22.22 C ATOM 540 CG TRP A 37 5.315 16.982 -41.524 1.00 22.24 C ATOM 541 CD1 TRP A 37 4.237 16.182 -41.775 1.00 63.15 C ATOM 542 CD2 TRP A 37 5.564 17.714 -42.729 1.00 25.44 C ATOM 543 NE1 TRP A 37 3.802 16.372 -43.065 1.00 15.44 N ATOM 544 CE2 TRP A 37 4.598 17.308 -43.670 1.00 64.30 C ATOM 545 CE3 TRP A 37 6.508 18.674 -43.103 1.00 61.34 C ATOM 546 CZ2 TRP A 37 4.552 17.828 -44.960 1.00 41.54 C ATOM 547 CZ3 TRP A 37 6.461 19.189 -44.385 1.00 10.44 C ATOM 548 CH2 TRP A 37 5.488 18.767 -45.300 1.00 62.14 C ATOM 0 H TRP A 37 3.504 17.859 -40.103 1.00 43.15 H new ATOM 0 HA TRP A 37 5.751 17.608 -38.188 1.00 40.41 H new ATOM 0 HB2 TRP A 37 7.064 17.512 -40.445 1.00 22.22 H new ATOM 0 HB3 TRP A 37 6.260 16.070 -39.857 1.00 22.22 H new ATOM 0 HD1 TRP A 37 3.792 15.501 -41.065 1.00 63.15 H new ATOM 0 HE1 TRP A 37 3.014 15.893 -43.501 1.00 15.44 H new ATOM 0 HE3 TRP A 37 7.260 19.007 -42.404 1.00 61.34 H new ATOM 0 HZ2 TRP A 37 3.804 17.502 -45.668 1.00 41.54 H new ATOM 0 HZ3 TRP A 37 7.187 19.930 -44.686 1.00 10.44 H new ATOM 0 HH2 TRP A 37 5.476 19.191 -46.293 1.00 62.14 H new ATOM 559 N CYS A 38 6.974 19.719 -39.411 1.00 13.30 N ATOM 560 CA CYS A 38 7.401 21.100 -39.599 1.00 52.44 C ATOM 561 C CYS A 38 6.649 21.749 -40.758 1.00 14.12 C ATOM 562 O CYS A 38 6.055 21.062 -41.589 1.00 53.14 O ATOM 563 CB CYS A 38 8.908 21.159 -39.858 1.00 55.44 C ATOM 564 SG CYS A 38 9.499 19.949 -41.084 1.00 62.51 S ATOM 0 H CYS A 38 7.739 19.051 -39.315 1.00 13.30 H new ATOM 0 HA CYS A 38 7.174 21.652 -38.687 1.00 52.44 H new ATOM 0 HB2 CYS A 38 9.169 22.161 -40.198 1.00 55.44 H new ATOM 0 HB3 CYS A 38 9.434 20.994 -38.918 1.00 55.44 H new ATOM 569 N CYS A 39 6.679 23.077 -40.806 1.00 34.32 N ATOM 570 CA CYS A 39 6.001 23.820 -41.861 1.00 35.21 C ATOM 571 C CYS A 39 6.771 23.724 -43.175 1.00 12.53 C ATOM 572 O CYS A 39 7.730 22.960 -43.291 1.00 52.10 O ATOM 573 CB CYS A 39 5.839 25.287 -41.457 1.00 74.32 C ATOM 574 SG CYS A 39 4.113 25.791 -41.165 1.00 12.32 S ATOM 0 H CYS A 39 7.166 23.661 -40.126 1.00 34.32 H new ATOM 0 HA CYS A 39 5.015 23.379 -42.006 1.00 35.21 H new ATOM 0 HB2 CYS A 39 6.418 25.470 -40.552 1.00 74.32 H new ATOM 0 HB3 CYS A 39 6.263 25.917 -42.239 1.00 74.32 H new ATOM 0 HG CYS A 39 4.076 27.052 -40.851 1.00 12.32 H new ATOM 579 N LEU A 40 6.345 24.505 -44.161 1.00 42.45 N ATOM 580 CA LEU A 40 6.994 24.510 -45.468 1.00 5.12 C ATOM 581 C LEU A 40 8.506 24.656 -45.324 1.00 40.01 C ATOM 582 O LEU A 40 9.272 23.883 -45.900 1.00 33.33 O ATOM 583 CB LEU A 40 6.441 25.646 -46.330 1.00 72.33 C ATOM 584 CG LEU A 40 5.925 25.248 -47.714 1.00 32.45 C ATOM 585 CD1 LEU A 40 4.465 25.642 -47.872 1.00 75.42 C ATOM 586 CD2 LEU A 40 6.773 25.887 -48.803 1.00 70.45 C ATOM 0 H LEU A 40 5.553 25.143 -44.081 1.00 42.45 H new ATOM 0 HA LEU A 40 6.783 23.558 -45.954 1.00 5.12 H new ATOM 0 HB2 LEU A 40 5.628 26.126 -45.785 1.00 72.33 H new ATOM 0 HB3 LEU A 40 7.224 26.393 -46.457 1.00 72.33 H new ATOM 0 HG LEU A 40 6.000 24.165 -47.812 1.00 32.45 H new ATOM 0 HD11 LEU A 40 4.115 25.351 -48.862 1.00 75.42 H new ATOM 0 HD12 LEU A 40 3.868 25.137 -47.113 1.00 75.42 H new ATOM 0 HD13 LEU A 40 4.364 26.721 -47.754 1.00 75.42 H new ATOM 0 HD21 LEU A 40 6.392 25.593 -49.781 1.00 70.45 H new ATOM 0 HD22 LEU A 40 6.730 26.972 -48.708 1.00 70.45 H new ATOM 0 HD23 LEU A 40 7.806 25.555 -48.702 1.00 70.45 H new ATOM 598 N ARG A 41 8.928 25.651 -44.551 1.00 4.01 N ATOM 599 CA ARG A 41 10.348 25.897 -44.331 1.00 3.54 C ATOM 600 C ARG A 41 10.555 27.033 -43.332 1.00 54.05 C ATOM 601 O ARG A 41 10.199 28.182 -43.600 1.00 72.41 O ATOM 602 CB ARG A 41 11.040 26.234 -45.653 1.00 5.24 C ATOM 603 CG ARG A 41 10.432 27.427 -46.372 1.00 70.32 C ATOM 604 CD ARG A 41 9.878 27.033 -47.733 1.00 3.23 C ATOM 605 NE ARG A 41 10.924 26.960 -48.749 1.00 44.22 N ATOM 606 CZ ARG A 41 10.688 27.034 -50.054 1.00 53.31 C ATOM 607 NH1 ARG A 41 9.448 27.183 -50.499 1.00 15.32 N ATOM 608 NH2 ARG A 41 11.693 26.960 -50.917 1.00 73.03 N ATOM 0 H ARG A 41 8.307 26.300 -44.067 1.00 4.01 H new ATOM 0 HA ARG A 41 10.789 24.989 -43.919 1.00 3.54 H new ATOM 0 HB2 ARG A 41 12.094 26.435 -45.461 1.00 5.24 H new ATOM 0 HB3 ARG A 41 10.996 25.364 -46.309 1.00 5.24 H new ATOM 0 HG2 ARG A 41 9.635 27.853 -45.763 1.00 70.32 H new ATOM 0 HG3 ARG A 41 11.188 28.203 -46.496 1.00 70.32 H new ATOM 0 HD2 ARG A 41 9.380 26.067 -47.656 1.00 3.23 H new ATOM 0 HD3 ARG A 41 9.124 27.757 -48.041 1.00 3.23 H new ATOM 0 HE ARG A 41 11.889 26.846 -48.440 1.00 44.22 H new ATOM 0 HH11 ARG A 41 8.673 27.241 -49.839 1.00 15.32 H new ATOM 0 HH12 ARG A 41 9.269 27.240 -51.502 1.00 15.32 H new ATOM 0 HH21 ARG A 41 12.648 26.846 -50.579 1.00 73.03 H new ATOM 0 HH22 ARG A 41 11.510 27.017 -51.919 1.00 73.03 H new ATOM 622 N LEU A 42 11.131 26.705 -42.181 1.00 75.54 N ATOM 623 CA LEU A 42 11.384 27.696 -41.142 1.00 40.51 C ATOM 624 C LEU A 42 12.599 27.309 -40.304 1.00 55.34 C ATOM 625 O LEU A 42 13.240 26.289 -40.556 1.00 4.20 O ATOM 626 CB LEU A 42 10.156 27.846 -40.242 1.00 42.32 C ATOM 627 CG LEU A 42 9.743 26.600 -39.458 1.00 11.52 C ATOM 628 CD1 LEU A 42 8.916 26.986 -38.241 1.00 74.32 C ATOM 629 CD2 LEU A 42 8.968 25.641 -40.350 1.00 3.32 C ATOM 0 H LEU A 42 11.432 25.760 -41.944 1.00 75.54 H new ATOM 0 HA LEU A 42 11.590 28.650 -41.627 1.00 40.51 H new ATOM 0 HB2 LEU A 42 10.347 28.651 -39.532 1.00 42.32 H new ATOM 0 HB3 LEU A 42 9.314 28.158 -40.859 1.00 42.32 H new ATOM 0 HG LEU A 42 10.645 26.095 -39.114 1.00 11.52 H new ATOM 0 HD11 LEU A 42 8.631 26.087 -37.695 1.00 74.32 H new ATOM 0 HD12 LEU A 42 9.505 27.634 -37.591 1.00 74.32 H new ATOM 0 HD13 LEU A 42 8.019 27.515 -38.563 1.00 74.32 H new ATOM 0 HD21 LEU A 42 8.682 24.760 -39.775 1.00 3.32 H new ATOM 0 HD22 LEU A 42 8.072 26.136 -40.725 1.00 3.32 H new ATOM 0 HD23 LEU A 42 9.594 25.339 -41.190 1.00 3.32 H new ATOM 641 N LYS A 43 12.908 28.129 -39.306 1.00 14.33 N ATOM 642 CA LYS A 43 14.043 27.872 -38.427 1.00 53.34 C ATOM 643 C LYS A 43 13.584 27.698 -36.983 1.00 4.10 C ATOM 644 O LYS A 43 14.373 27.336 -36.109 1.00 61.33 O ATOM 645 CB LYS A 43 15.054 29.017 -38.518 1.00 52.43 C ATOM 646 CG LYS A 43 15.433 29.382 -39.943 1.00 50.31 C ATOM 647 CD LYS A 43 16.248 30.664 -39.992 1.00 71.14 C ATOM 648 CE LYS A 43 16.857 30.885 -41.369 1.00 34.33 C ATOM 649 NZ LYS A 43 16.106 31.907 -42.149 1.00 45.34 N ATOM 0 H LYS A 43 12.388 28.978 -39.085 1.00 14.33 H new ATOM 0 HA LYS A 43 14.520 26.947 -38.752 1.00 53.34 H new ATOM 0 HB2 LYS A 43 14.640 29.896 -38.025 1.00 52.43 H new ATOM 0 HB3 LYS A 43 15.955 28.739 -37.971 1.00 52.43 H new ATOM 0 HG2 LYS A 43 16.006 28.568 -40.388 1.00 50.31 H new ATOM 0 HG3 LYS A 43 14.530 29.501 -40.542 1.00 50.31 H new ATOM 0 HD2 LYS A 43 15.612 31.511 -39.734 1.00 71.14 H new ATOM 0 HD3 LYS A 43 17.041 30.621 -39.245 1.00 71.14 H new ATOM 0 HE2 LYS A 43 17.895 31.201 -41.261 1.00 34.33 H new ATOM 0 HE3 LYS A 43 16.866 29.943 -41.918 1.00 34.33 H new ATOM 0 HZ1 LYS A 43 16.552 32.029 -43.081 1.00 45.34 H new ATOM 0 HZ2 LYS A 43 15.122 31.594 -42.274 1.00 45.34 H new ATOM 0 HZ3 LYS A 43 16.119 32.813 -41.638 1.00 45.34 H new ATOM 663 N THR A 44 12.304 27.957 -36.738 1.00 13.33 N ATOM 664 CA THR A 44 11.741 27.829 -35.400 1.00 35.14 C ATOM 665 C THR A 44 10.223 27.976 -35.425 1.00 45.12 C ATOM 666 O THR A 44 9.492 27.022 -35.158 1.00 40.41 O ATOM 667 CB THR A 44 12.331 28.878 -34.439 1.00 14.33 C ATOM 668 OG1 THR A 44 11.343 29.276 -33.481 1.00 70.02 O ATOM 669 CG2 THR A 44 12.822 30.098 -35.204 1.00 72.44 C ATOM 0 H THR A 44 11.637 28.257 -37.449 1.00 13.33 H new ATOM 0 HA THR A 44 12.001 26.833 -35.042 1.00 35.14 H new ATOM 0 HB THR A 44 13.178 28.428 -33.922 1.00 14.33 H new ATOM 0 HG1 THR A 44 11.682 30.030 -32.955 1.00 70.02 H new ATOM 0 HG21 THR A 44 13.234 30.825 -34.504 1.00 72.44 H new ATOM 0 HG22 THR A 44 13.595 29.797 -35.912 1.00 72.44 H new ATOM 0 HG23 THR A 44 11.989 30.547 -35.745 1.00 72.44 H new ATOM 677 N LYS A 45 9.756 29.177 -35.749 1.00 34.13 N ATOM 678 CA LYS A 45 8.325 29.450 -35.811 1.00 74.55 C ATOM 679 C LYS A 45 8.032 30.600 -36.769 1.00 15.44 C ATOM 680 O LYS A 45 6.940 31.169 -36.753 1.00 4.54 O ATOM 681 CB LYS A 45 7.786 29.781 -34.418 1.00 2.41 C ATOM 682 CG LYS A 45 7.946 31.243 -34.036 1.00 63.31 C ATOM 683 CD LYS A 45 9.389 31.700 -34.171 1.00 62.51 C ATOM 684 CE LYS A 45 9.544 33.169 -33.812 1.00 5.23 C ATOM 685 NZ LYS A 45 10.708 33.400 -32.912 1.00 45.20 N ATOM 0 H LYS A 45 10.348 29.977 -35.973 1.00 34.13 H new ATOM 0 HA LYS A 45 7.826 28.555 -36.182 1.00 74.55 H new ATOM 0 HB2 LYS A 45 6.730 29.516 -34.374 1.00 2.41 H new ATOM 0 HB3 LYS A 45 8.301 29.163 -33.682 1.00 2.41 H new ATOM 0 HG2 LYS A 45 7.308 31.858 -34.671 1.00 63.31 H new ATOM 0 HG3 LYS A 45 7.611 31.390 -33.009 1.00 63.31 H new ATOM 0 HD2 LYS A 45 10.025 31.097 -33.523 1.00 62.51 H new ATOM 0 HD3 LYS A 45 9.729 31.536 -35.193 1.00 62.51 H new ATOM 0 HE2 LYS A 45 9.668 33.754 -34.723 1.00 5.23 H new ATOM 0 HE3 LYS A 45 8.634 33.522 -33.327 1.00 5.23 H new ATOM 0 HZ1 LYS A 45 10.780 34.414 -32.690 1.00 45.20 H new ATOM 0 HZ2 LYS A 45 10.578 32.861 -32.032 1.00 45.20 H new ATOM 0 HZ3 LYS A 45 11.580 33.086 -33.385 1.00 45.20 H new ATOM 699 N GLN A 46 9.012 30.936 -37.601 1.00 12.20 N ATOM 700 CA GLN A 46 8.857 32.019 -38.565 1.00 62.24 C ATOM 701 C GLN A 46 8.971 31.496 -39.994 1.00 31.04 C ATOM 702 O GLN A 46 8.771 30.309 -40.248 1.00 73.20 O ATOM 703 CB GLN A 46 9.909 33.102 -38.321 1.00 1.01 C ATOM 704 CG GLN A 46 11.321 32.672 -38.683 1.00 63.54 C ATOM 705 CD GLN A 46 12.378 33.602 -38.121 1.00 54.54 C ATOM 706 OE1 GLN A 46 13.072 34.294 -38.867 1.00 10.22 O ATOM 707 NE2 GLN A 46 12.505 33.625 -36.800 1.00 14.02 N ATOM 0 H GLN A 46 9.921 30.474 -37.627 1.00 12.20 H new ATOM 0 HA GLN A 46 7.865 32.450 -38.433 1.00 62.24 H new ATOM 0 HB2 GLN A 46 9.648 33.987 -38.901 1.00 1.01 H new ATOM 0 HB3 GLN A 46 9.884 33.390 -37.270 1.00 1.01 H new ATOM 0 HG2 GLN A 46 11.496 31.663 -38.310 1.00 63.54 H new ATOM 0 HG3 GLN A 46 11.417 32.632 -39.768 1.00 63.54 H new ATOM 0 HE21 GLN A 46 11.909 33.035 -36.220 1.00 14.02 H new ATOM 0 HE22 GLN A 46 13.199 34.233 -36.365 1.00 14.02 H new ATOM 716 N ALA A 47 9.293 32.391 -40.922 1.00 62.40 N ATOM 717 CA ALA A 47 9.435 32.019 -42.324 1.00 41.03 C ATOM 718 C ALA A 47 8.084 31.674 -42.940 1.00 74.52 C ATOM 719 O ALA A 47 7.035 31.987 -42.375 1.00 63.45 O ATOM 720 CB ALA A 47 10.396 30.848 -42.465 1.00 44.03 C ATOM 0 H ALA A 47 9.460 33.378 -40.728 1.00 62.40 H new ATOM 0 HA ALA A 47 9.842 32.875 -42.862 1.00 41.03 H new ATOM 0 HB1 ALA A 47 10.492 30.581 -43.517 1.00 44.03 H new ATOM 0 HB2 ALA A 47 11.373 31.129 -42.071 1.00 44.03 H new ATOM 0 HB3 ALA A 47 10.012 29.993 -41.908 1.00 44.03 H new ATOM 726 N ARG A 48 8.115 31.027 -44.101 1.00 43.41 N ATOM 727 CA ARG A 48 6.892 30.641 -44.794 1.00 43.43 C ATOM 728 C ARG A 48 6.358 29.317 -44.258 1.00 21.34 C ATOM 729 O ARG A 48 7.127 28.435 -43.872 1.00 52.41 O ATOM 730 CB ARG A 48 7.147 30.529 -46.299 1.00 21.25 C ATOM 731 CG ARG A 48 7.907 31.711 -46.878 1.00 25.35 C ATOM 732 CD ARG A 48 7.085 32.988 -46.812 1.00 40.23 C ATOM 733 NE ARG A 48 7.705 33.995 -45.955 1.00 33.01 N ATOM 734 CZ ARG A 48 7.305 35.260 -45.900 1.00 13.40 C ATOM 735 NH1 ARG A 48 6.291 35.672 -46.648 1.00 75.35 N ATOM 736 NH2 ARG A 48 7.919 36.117 -45.095 1.00 1.45 N ATOM 0 H ARG A 48 8.974 30.759 -44.581 1.00 43.41 H new ATOM 0 HA ARG A 48 6.144 31.413 -44.615 1.00 43.43 H new ATOM 0 HB2 ARG A 48 7.708 29.615 -46.497 1.00 21.25 H new ATOM 0 HB3 ARG A 48 6.191 30.435 -46.815 1.00 21.25 H new ATOM 0 HG2 ARG A 48 8.840 31.849 -46.331 1.00 25.35 H new ATOM 0 HG3 ARG A 48 8.173 31.502 -47.914 1.00 25.35 H new ATOM 0 HD2 ARG A 48 6.963 33.393 -47.817 1.00 40.23 H new ATOM 0 HD3 ARG A 48 6.088 32.758 -46.438 1.00 40.23 H new ATOM 0 HE ARG A 48 8.488 33.711 -45.366 1.00 33.01 H new ATOM 0 HH11 ARG A 48 5.815 35.017 -47.268 1.00 75.35 H new ATOM 0 HH12 ARG A 48 5.986 36.644 -46.603 1.00 75.35 H new ATOM 0 HH21 ARG A 48 8.699 35.805 -44.517 1.00 1.45 H new ATOM 0 HH22 ARG A 48 7.611 37.088 -45.054 1.00 1.45 H new ATOM 750 N CYS A 49 5.036 29.183 -44.235 1.00 42.30 N ATOM 751 CA CYS A 49 4.398 27.968 -43.745 1.00 70.40 C ATOM 752 C CYS A 49 3.351 27.466 -44.735 1.00 62.45 C ATOM 753 O CYS A 49 2.987 28.168 -45.679 1.00 24.13 O ATOM 754 CB CYS A 49 3.748 28.221 -42.384 1.00 15.24 C ATOM 755 SG CYS A 49 3.765 26.779 -41.271 1.00 71.20 S ATOM 0 H CYS A 49 4.385 29.902 -44.551 1.00 42.30 H new ATOM 0 HA CYS A 49 5.167 27.203 -43.636 1.00 70.40 H new ATOM 0 HB2 CYS A 49 4.262 29.049 -41.896 1.00 15.24 H new ATOM 0 HB3 CYS A 49 2.716 28.534 -42.539 1.00 15.24 H new ATOM 0 HG CYS A 49 3.921 25.694 -41.969 1.00 71.20 H new ATOM 760 N TRP A 50 2.872 26.247 -44.514 1.00 12.24 N ATOM 761 CA TRP A 50 1.867 25.651 -45.386 1.00 74.03 C ATOM 762 C TRP A 50 0.461 25.927 -44.865 1.00 74.21 C ATOM 763 O TRP A 50 0.121 25.558 -43.741 1.00 33.23 O ATOM 764 CB TRP A 50 2.094 24.143 -45.504 1.00 74.10 C ATOM 765 CG TRP A 50 1.924 23.624 -46.900 1.00 33.23 C ATOM 766 CD1 TRP A 50 0.832 23.781 -47.705 1.00 62.34 C ATOM 767 CD2 TRP A 50 2.874 22.863 -47.653 1.00 24.45 C ATOM 768 NE1 TRP A 50 1.047 23.163 -48.914 1.00 20.23 N ATOM 769 CE2 TRP A 50 2.293 22.593 -48.907 1.00 13.02 C ATOM 770 CE3 TRP A 50 4.161 22.384 -47.390 1.00 51.41 C ATOM 771 CZ2 TRP A 50 2.954 21.866 -49.893 1.00 21.01 C ATOM 772 CZ3 TRP A 50 4.816 21.663 -48.370 1.00 30.22 C ATOM 773 CH2 TRP A 50 4.213 21.410 -49.609 1.00 34.31 C ATOM 0 H TRP A 50 3.164 25.652 -43.738 1.00 12.24 H new ATOM 0 HA TRP A 50 1.964 26.104 -46.373 1.00 74.03 H new ATOM 0 HB2 TRP A 50 3.099 23.906 -45.156 1.00 74.10 H new ATOM 0 HB3 TRP A 50 1.398 23.625 -44.844 1.00 74.10 H new ATOM 0 HD1 TRP A 50 -0.068 24.312 -47.432 1.00 62.34 H new ATOM 0 HE1 TRP A 50 0.386 23.134 -49.690 1.00 20.23 H new ATOM 0 HE3 TRP A 50 4.635 22.574 -46.438 1.00 51.41 H new ATOM 0 HZ2 TRP A 50 2.490 21.669 -50.848 1.00 21.01 H new ATOM 0 HZ3 TRP A 50 5.810 21.288 -48.177 1.00 30.22 H new ATOM 0 HH2 TRP A 50 4.752 20.844 -50.355 1.00 34.31 H new ATOM 784 N LYS A 51 -0.354 26.578 -45.689 1.00 20.43 N ATOM 785 CA LYS A 51 -1.725 26.902 -45.312 1.00 23.11 C ATOM 786 C LYS A 51 -2.688 25.814 -45.776 1.00 13.42 C ATOM 787 O LYS A 51 -3.008 25.721 -46.960 1.00 61.54 O ATOM 788 CB LYS A 51 -2.134 28.250 -45.909 1.00 73.14 C ATOM 789 CG LYS A 51 -2.256 29.360 -44.880 1.00 34.23 C ATOM 790 CD LYS A 51 -2.305 30.728 -45.538 1.00 4.40 C ATOM 791 CE LYS A 51 -0.936 31.392 -45.546 1.00 21.41 C ATOM 792 NZ LYS A 51 -0.794 32.384 -44.445 1.00 52.51 N ATOM 0 H LYS A 51 -0.088 26.892 -46.623 1.00 20.43 H new ATOM 0 HA LYS A 51 -1.772 26.964 -44.225 1.00 23.11 H new ATOM 0 HB2 LYS A 51 -1.401 28.542 -46.661 1.00 73.14 H new ATOM 0 HB3 LYS A 51 -3.089 28.136 -46.422 1.00 73.14 H new ATOM 0 HG2 LYS A 51 -3.157 29.209 -44.286 1.00 34.23 H new ATOM 0 HG3 LYS A 51 -1.410 29.316 -44.194 1.00 34.23 H new ATOM 0 HD2 LYS A 51 -2.668 30.628 -46.561 1.00 4.40 H new ATOM 0 HD3 LYS A 51 -3.015 31.363 -45.008 1.00 4.40 H new ATOM 0 HE2 LYS A 51 -0.162 30.630 -45.450 1.00 21.41 H new ATOM 0 HE3 LYS A 51 -0.778 31.888 -46.504 1.00 21.41 H new ATOM 0 HZ1 LYS A 51 0.152 32.814 -44.485 1.00 52.51 H new ATOM 0 HZ2 LYS A 51 -1.516 33.125 -44.550 1.00 52.51 H new ATOM 0 HZ3 LYS A 51 -0.919 31.907 -43.529 1.00 52.51 H new ATOM 806 N GLU A 52 -3.148 24.996 -44.834 1.00 54.42 N ATOM 807 CA GLU A 52 -4.076 23.916 -45.148 1.00 52.33 C ATOM 808 C GLU A 52 -5.396 24.470 -45.677 1.00 73.43 C ATOM 809 O GLU A 52 -6.202 23.740 -46.255 1.00 33.55 O ATOM 810 CB GLU A 52 -4.331 23.056 -43.909 1.00 12.54 C ATOM 811 CG GLU A 52 -3.070 22.442 -43.324 1.00 14.30 C ATOM 812 CD GLU A 52 -3.133 22.308 -41.815 1.00 25.21 C ATOM 813 OE1 GLU A 52 -3.146 23.349 -41.126 1.00 30.01 O ATOM 814 OE2 GLU A 52 -3.168 21.160 -41.323 1.00 40.22 O ATOM 0 H GLU A 52 -2.893 25.061 -43.848 1.00 54.42 H new ATOM 0 HA GLU A 52 -3.624 23.297 -45.924 1.00 52.33 H new ATOM 0 HB2 GLU A 52 -4.815 23.667 -43.147 1.00 12.54 H new ATOM 0 HB3 GLU A 52 -5.027 22.258 -44.168 1.00 12.54 H new ATOM 0 HG2 GLU A 52 -2.910 21.459 -43.766 1.00 14.30 H new ATOM 0 HG3 GLU A 52 -2.212 23.057 -43.595 1.00 14.30 H new ATOM 821 N LYS A 53 -5.611 25.765 -45.475 1.00 51.25 N ATOM 822 CA LYS A 53 -6.832 26.419 -45.932 1.00 10.05 C ATOM 823 C LYS A 53 -6.804 26.631 -47.442 1.00 33.41 C ATOM 824 O LYS A 53 -7.820 26.473 -48.118 1.00 14.51 O ATOM 825 CB LYS A 53 -7.012 27.762 -45.221 1.00 3.41 C ATOM 826 CG LYS A 53 -5.875 28.739 -45.470 1.00 54.12 C ATOM 827 CD LYS A 53 -5.935 29.919 -44.515 1.00 3.12 C ATOM 828 CE LYS A 53 -6.297 31.206 -45.240 1.00 43.02 C ATOM 829 NZ LYS A 53 -7.748 31.518 -45.125 1.00 12.55 N ATOM 0 H LYS A 53 -4.955 26.383 -44.997 1.00 51.25 H new ATOM 0 HA LYS A 53 -7.674 25.771 -45.690 1.00 10.05 H new ATOM 0 HB2 LYS A 53 -7.948 28.215 -45.549 1.00 3.41 H new ATOM 0 HB3 LYS A 53 -7.101 27.587 -44.149 1.00 3.41 H new ATOM 0 HG2 LYS A 53 -4.921 28.225 -45.355 1.00 54.12 H new ATOM 0 HG3 LYS A 53 -5.922 29.099 -46.498 1.00 54.12 H new ATOM 0 HD2 LYS A 53 -6.670 29.720 -43.735 1.00 3.12 H new ATOM 0 HD3 LYS A 53 -4.971 30.038 -44.021 1.00 3.12 H new ATOM 0 HE2 LYS A 53 -5.715 32.031 -44.829 1.00 43.02 H new ATOM 0 HE3 LYS A 53 -6.027 31.118 -46.292 1.00 43.02 H new ATOM 0 HZ1 LYS A 53 -7.954 32.402 -45.632 1.00 12.55 H new ATOM 0 HZ2 LYS A 53 -8.304 30.743 -45.540 1.00 12.55 H new ATOM 0 HZ3 LYS A 53 -8.001 31.627 -44.122 1.00 12.55 H new ATOM 843 N GLU A 54 -5.635 26.986 -47.964 1.00 5.21 N ATOM 844 CA GLU A 54 -5.476 27.218 -49.395 1.00 12.13 C ATOM 845 C GLU A 54 -4.935 25.973 -50.091 1.00 73.32 C ATOM 846 O GLU A 54 -5.387 25.610 -51.178 1.00 23.24 O ATOM 847 CB GLU A 54 -4.538 28.402 -49.641 1.00 72.44 C ATOM 848 CG GLU A 54 -5.183 29.753 -49.384 1.00 51.24 C ATOM 849 CD GLU A 54 -4.229 30.909 -49.618 1.00 73.40 C ATOM 850 OE1 GLU A 54 -3.006 30.708 -49.470 1.00 1.03 O ATOM 851 OE2 GLU A 54 -4.707 32.014 -49.950 1.00 33.23 O ATOM 0 H GLU A 54 -4.784 27.119 -47.418 1.00 5.21 H new ATOM 0 HA GLU A 54 -6.457 27.448 -49.811 1.00 12.13 H new ATOM 0 HB2 GLU A 54 -3.662 28.300 -49.001 1.00 72.44 H new ATOM 0 HB3 GLU A 54 -4.185 28.367 -50.672 1.00 72.44 H new ATOM 0 HG2 GLU A 54 -6.051 29.866 -50.033 1.00 51.24 H new ATOM 0 HG3 GLU A 54 -5.546 29.789 -48.357 1.00 51.24 H new ATOM 858 N PHE A 55 -3.965 25.322 -49.458 1.00 2.31 N ATOM 859 CA PHE A 55 -3.360 24.118 -50.016 1.00 54.43 C ATOM 860 C PHE A 55 -3.744 22.888 -49.199 1.00 50.03 C ATOM 861 O PHE A 55 -3.326 22.717 -48.054 1.00 14.33 O ATOM 862 CB PHE A 55 -1.838 24.260 -50.061 1.00 5.30 C ATOM 863 CG PHE A 55 -1.375 25.601 -50.556 1.00 63.42 C ATOM 864 CD1 PHE A 55 -1.433 25.914 -51.905 1.00 33.24 C ATOM 865 CD2 PHE A 55 -0.880 26.547 -49.673 1.00 53.23 C ATOM 866 CE1 PHE A 55 -1.009 27.146 -52.364 1.00 4.43 C ATOM 867 CE2 PHE A 55 -0.455 27.781 -50.126 1.00 44.54 C ATOM 868 CZ PHE A 55 -0.518 28.081 -51.473 1.00 44.13 C ATOM 0 H PHE A 55 -3.581 25.608 -48.558 1.00 2.31 H new ATOM 0 HA PHE A 55 -3.736 23.990 -51.031 1.00 54.43 H new ATOM 0 HB2 PHE A 55 -1.436 24.092 -49.062 1.00 5.30 H new ATOM 0 HB3 PHE A 55 -1.427 23.482 -50.705 1.00 5.30 H new ATOM 0 HD1 PHE A 55 -1.814 25.186 -52.606 1.00 33.24 H new ATOM 0 HD2 PHE A 55 -0.826 26.317 -48.619 1.00 53.23 H new ATOM 0 HE1 PHE A 55 -1.061 27.378 -53.417 1.00 4.43 H new ATOM 0 HE2 PHE A 55 -0.074 28.511 -49.427 1.00 44.54 H new ATOM 0 HZ PHE A 55 -0.184 29.044 -51.829 1.00 44.13 H new ATOM 878 N PRO A 56 -4.559 22.009 -49.801 1.00 54.52 N ATOM 879 CA PRO A 56 -5.018 20.780 -49.149 1.00 31.53 C ATOM 880 C PRO A 56 -3.895 19.764 -48.971 1.00 25.01 C ATOM 881 O PRO A 56 -3.998 18.846 -48.159 1.00 72.40 O ATOM 882 CB PRO A 56 -6.078 20.241 -50.112 1.00 73.24 C ATOM 883 CG PRO A 56 -5.702 20.801 -51.441 1.00 32.42 C ATOM 884 CD PRO A 56 -5.096 22.149 -51.165 1.00 71.14 C ATOM 0 HA PRO A 56 -5.393 20.969 -48.143 1.00 31.53 H new ATOM 0 HB2 PRO A 56 -6.081 19.151 -50.128 1.00 73.24 H new ATOM 0 HB3 PRO A 56 -7.078 20.558 -49.817 1.00 73.24 H new ATOM 0 HG2 PRO A 56 -4.992 20.151 -51.952 1.00 32.42 H new ATOM 0 HG3 PRO A 56 -6.575 20.890 -52.088 1.00 32.42 H new ATOM 0 HD2 PRO A 56 -4.312 22.392 -51.882 1.00 71.14 H new ATOM 0 HD3 PRO A 56 -5.840 22.944 -51.224 1.00 71.14 H new ATOM 892 N ASN A 57 -2.821 19.936 -49.735 1.00 51.15 N ATOM 893 CA ASN A 57 -1.678 19.034 -49.662 1.00 23.30 C ATOM 894 C ASN A 57 -1.149 18.941 -48.234 1.00 21.01 C ATOM 895 O ASN A 57 -0.851 17.853 -47.741 1.00 15.53 O ATOM 896 CB ASN A 57 -0.566 19.508 -50.600 1.00 2.44 C ATOM 897 CG ASN A 57 0.123 18.358 -51.308 1.00 5.21 C ATOM 898 OD1 ASN A 57 0.362 18.411 -52.515 1.00 34.04 O ATOM 899 ND2 ASN A 57 0.447 17.311 -50.558 1.00 63.15 N ATOM 0 H ASN A 57 -2.719 20.692 -50.412 1.00 51.15 H new ATOM 0 HA ASN A 57 -2.009 18.043 -49.974 1.00 23.30 H new ATOM 0 HB2 ASN A 57 -0.985 20.188 -51.341 1.00 2.44 H new ATOM 0 HB3 ASN A 57 0.171 20.073 -50.029 1.00 2.44 H new ATOM 0 HD21 ASN A 57 0.913 16.507 -50.978 1.00 63.15 H new ATOM 0 HD22 ASN A 57 0.229 17.311 -49.561 1.00 63.15 H new ATOM 906 N ALA A 58 -1.035 20.090 -47.575 1.00 72.41 N ATOM 907 CA ALA A 58 -0.545 20.138 -46.203 1.00 51.12 C ATOM 908 C ALA A 58 -1.418 19.296 -45.278 1.00 44.05 C ATOM 909 O ALA A 58 -0.912 18.565 -44.426 1.00 15.30 O ATOM 910 CB ALA A 58 -0.489 21.577 -45.713 1.00 53.53 C ATOM 0 H ALA A 58 -1.275 21.000 -47.969 1.00 72.41 H new ATOM 0 HA ALA A 58 0.462 19.721 -46.188 1.00 51.12 H new ATOM 0 HB1 ALA A 58 -0.121 21.598 -44.687 1.00 53.53 H new ATOM 0 HB2 ALA A 58 0.182 22.153 -46.351 1.00 53.53 H new ATOM 0 HB3 ALA A 58 -1.487 22.013 -45.750 1.00 53.53 H new ATOM 916 N LYS A 59 -2.731 19.403 -45.452 1.00 4.23 N ATOM 917 CA LYS A 59 -3.675 18.651 -44.633 1.00 43.55 C ATOM 918 C LYS A 59 -3.502 17.151 -44.844 1.00 21.44 C ATOM 919 O LYS A 59 -3.455 16.382 -43.884 1.00 14.24 O ATOM 920 CB LYS A 59 -5.111 19.062 -44.968 1.00 24.03 C ATOM 921 CG LYS A 59 -6.155 18.388 -44.095 1.00 22.13 C ATOM 922 CD LYS A 59 -7.260 17.762 -44.929 1.00 42.22 C ATOM 923 CE LYS A 59 -7.017 16.277 -45.153 1.00 2.55 C ATOM 924 NZ LYS A 59 -7.079 15.916 -46.596 1.00 15.12 N ATOM 0 H LYS A 59 -3.166 20.003 -46.153 1.00 4.23 H new ATOM 0 HA LYS A 59 -3.473 18.879 -43.586 1.00 43.55 H new ATOM 0 HB2 LYS A 59 -5.205 20.143 -44.863 1.00 24.03 H new ATOM 0 HB3 LYS A 59 -5.314 18.824 -46.012 1.00 24.03 H new ATOM 0 HG2 LYS A 59 -5.679 17.620 -43.485 1.00 22.13 H new ATOM 0 HG3 LYS A 59 -6.585 19.119 -43.410 1.00 22.13 H new ATOM 0 HD2 LYS A 59 -8.219 17.904 -44.430 1.00 42.22 H new ATOM 0 HD3 LYS A 59 -7.324 18.270 -45.891 1.00 42.22 H new ATOM 0 HE2 LYS A 59 -6.041 16.004 -44.752 1.00 2.55 H new ATOM 0 HE3 LYS A 59 -7.760 15.700 -44.602 1.00 2.55 H new ATOM 0 HZ1 LYS A 59 -6.908 14.896 -46.706 1.00 15.12 H new ATOM 0 HZ2 LYS A 59 -8.019 16.153 -46.973 1.00 15.12 H new ATOM 0 HZ3 LYS A 59 -6.353 16.447 -47.118 1.00 15.12 H new ATOM 938 N GLU A 60 -3.406 16.741 -46.105 1.00 11.23 N ATOM 939 CA GLU A 60 -3.238 15.332 -46.439 1.00 23.21 C ATOM 940 C GLU A 60 -1.961 14.774 -45.817 1.00 22.02 C ATOM 941 O GLU A 60 -1.950 13.664 -45.284 1.00 30.44 O ATOM 942 CB GLU A 60 -3.202 15.146 -47.957 1.00 62.42 C ATOM 943 CG GLU A 60 -4.488 14.575 -48.531 1.00 23.31 C ATOM 944 CD GLU A 60 -4.236 13.548 -49.618 1.00 32.21 C ATOM 945 OE1 GLU A 60 -3.560 13.889 -50.611 1.00 12.50 O ATOM 946 OE2 GLU A 60 -4.715 12.403 -49.476 1.00 51.41 O ATOM 0 H GLU A 60 -3.442 17.365 -46.911 1.00 11.23 H new ATOM 0 HA GLU A 60 -4.089 14.785 -46.033 1.00 23.21 H new ATOM 0 HB2 GLU A 60 -3.000 16.108 -48.428 1.00 62.42 H new ATOM 0 HB3 GLU A 60 -2.374 14.485 -48.214 1.00 62.42 H new ATOM 0 HG2 GLU A 60 -5.067 14.116 -47.730 1.00 23.31 H new ATOM 0 HG3 GLU A 60 -5.092 15.387 -48.936 1.00 23.31 H new ATOM 953 N LEU A 61 -0.886 15.551 -45.889 1.00 51.42 N ATOM 954 CA LEU A 61 0.397 15.136 -45.334 1.00 5.20 C ATOM 955 C LEU A 61 0.328 15.043 -43.813 1.00 44.20 C ATOM 956 O LEU A 61 0.945 14.168 -43.205 1.00 73.51 O ATOM 957 CB LEU A 61 1.496 16.118 -45.747 1.00 34.30 C ATOM 958 CG LEU A 61 1.651 16.357 -47.249 1.00 44.41 C ATOM 959 CD1 LEU A 61 2.037 17.803 -47.522 1.00 15.12 C ATOM 960 CD2 LEU A 61 2.686 15.408 -47.836 1.00 52.12 C ATOM 0 H LEU A 61 -0.878 16.472 -46.327 1.00 51.42 H new ATOM 0 HA LEU A 61 0.633 14.148 -45.730 1.00 5.20 H new ATOM 0 HB2 LEU A 61 1.300 17.076 -45.265 1.00 34.30 H new ATOM 0 HB3 LEU A 61 2.447 15.754 -45.357 1.00 34.30 H new ATOM 0 HG LEU A 61 0.693 16.161 -47.730 1.00 44.41 H new ATOM 0 HD11 LEU A 61 2.143 17.955 -48.596 1.00 15.12 H new ATOM 0 HD12 LEU A 61 1.262 18.465 -47.137 1.00 15.12 H new ATOM 0 HD13 LEU A 61 2.983 18.026 -47.029 1.00 15.12 H new ATOM 0 HD21 LEU A 61 2.783 15.592 -48.906 1.00 52.12 H new ATOM 0 HD22 LEU A 61 3.648 15.573 -47.350 1.00 52.12 H new ATOM 0 HD23 LEU A 61 2.369 14.378 -47.673 1.00 52.12 H new ATOM 972 N CYS A 62 -0.427 15.951 -43.204 1.00 34.42 N ATOM 973 CA CYS A 62 -0.580 15.971 -41.754 1.00 45.00 C ATOM 974 C CYS A 62 -1.316 14.726 -41.267 1.00 4.32 C ATOM 975 O CYS A 62 -0.898 14.081 -40.305 1.00 2.43 O ATOM 976 CB CYS A 62 -1.335 17.228 -41.317 1.00 73.52 C ATOM 977 SG CYS A 62 -1.357 17.494 -39.515 1.00 64.42 S ATOM 0 H CYS A 62 -0.943 16.683 -43.692 1.00 34.42 H new ATOM 0 HA CYS A 62 0.415 15.980 -41.309 1.00 45.00 H new ATOM 0 HB2 CYS A 62 -0.882 18.096 -41.796 1.00 73.52 H new ATOM 0 HB3 CYS A 62 -2.362 17.165 -41.677 1.00 73.52 H new ATOM 0 HG CYS A 62 -0.830 18.650 -39.241 1.00 64.42 H new ATOM 982 N PHE A 63 -2.413 14.394 -41.938 1.00 15.31 N ATOM 983 CA PHE A 63 -3.209 13.227 -41.574 1.00 3.45 C ATOM 984 C PHE A 63 -2.510 11.939 -41.999 1.00 14.12 C ATOM 985 O PHE A 63 -2.635 10.907 -41.340 1.00 65.24 O ATOM 986 CB PHE A 63 -4.594 13.307 -42.218 1.00 71.40 C ATOM 987 CG PHE A 63 -5.700 13.561 -41.234 1.00 5.44 C ATOM 988 CD1 PHE A 63 -6.052 14.856 -40.888 1.00 33.02 C ATOM 989 CD2 PHE A 63 -6.386 12.507 -40.654 1.00 72.44 C ATOM 990 CE1 PHE A 63 -7.069 15.093 -39.982 1.00 5.15 C ATOM 991 CE2 PHE A 63 -7.404 12.738 -39.748 1.00 23.52 C ATOM 992 CZ PHE A 63 -7.746 14.033 -39.412 1.00 21.42 C ATOM 0 H PHE A 63 -2.772 14.916 -42.737 1.00 15.31 H new ATOM 0 HA PHE A 63 -3.321 13.218 -40.490 1.00 3.45 H new ATOM 0 HB2 PHE A 63 -4.593 14.101 -42.964 1.00 71.40 H new ATOM 0 HB3 PHE A 63 -4.795 12.374 -42.745 1.00 71.40 H new ATOM 0 HD1 PHE A 63 -5.526 15.689 -41.331 1.00 33.02 H new ATOM 0 HD2 PHE A 63 -6.122 11.492 -40.913 1.00 72.44 H new ATOM 0 HE1 PHE A 63 -7.334 16.107 -39.720 1.00 5.15 H new ATOM 0 HE2 PHE A 63 -7.931 11.907 -39.303 1.00 23.52 H new ATOM 0 HZ PHE A 63 -8.541 14.216 -38.705 1.00 21.42 H new ATOM 1002 N ALA A 64 -1.777 12.008 -43.105 1.00 5.14 N ATOM 1003 CA ALA A 64 -1.057 10.849 -43.618 1.00 32.22 C ATOM 1004 C ALA A 64 0.225 10.606 -42.830 1.00 24.42 C ATOM 1005 O ALA A 64 0.747 9.492 -42.803 1.00 71.35 O ATOM 1006 CB ALA A 64 -0.744 11.033 -45.095 1.00 53.43 C ATOM 0 H ALA A 64 -1.666 12.854 -43.663 1.00 5.14 H new ATOM 0 HA ALA A 64 -1.696 9.974 -43.500 1.00 32.22 H new ATOM 0 HB1 ALA A 64 -0.206 10.160 -45.464 1.00 53.43 H new ATOM 0 HB2 ALA A 64 -1.674 11.149 -45.652 1.00 53.43 H new ATOM 0 HB3 ALA A 64 -0.128 11.922 -45.228 1.00 53.43 H new ATOM 1012 N ASN A 65 0.729 11.656 -42.189 1.00 61.33 N ATOM 1013 CA ASN A 65 1.952 11.556 -41.401 1.00 62.33 C ATOM 1014 C ASN A 65 1.882 10.378 -40.435 1.00 32.54 C ATOM 1015 O ASN A 65 1.037 10.345 -39.539 1.00 23.30 O ATOM 1016 CB ASN A 65 2.191 12.853 -40.626 1.00 23.33 C ATOM 1017 CG ASN A 65 2.909 12.616 -39.311 1.00 44.21 C ATOM 1018 OD1 ASN A 65 4.136 12.518 -39.270 1.00 11.12 O ATOM 1019 ND2 ASN A 65 2.146 12.523 -38.228 1.00 40.35 N ATOM 0 H ASN A 65 0.309 12.586 -42.200 1.00 61.33 H new ATOM 0 HA ASN A 65 2.784 11.392 -42.086 1.00 62.33 H new ATOM 0 HB2 ASN A 65 2.778 13.537 -41.239 1.00 23.33 H new ATOM 0 HB3 ASN A 65 1.235 13.339 -40.432 1.00 23.33 H new ATOM 0 HD21 ASN A 65 2.573 12.364 -37.315 1.00 40.35 H new ATOM 0 HD22 ASN A 65 1.133 12.610 -38.309 1.00 40.35 H new ATOM 1026 N CYS A 66 2.775 9.412 -40.621 1.00 61.35 N ATOM 1027 CA CYS A 66 2.816 8.231 -39.767 1.00 53.21 C ATOM 1028 C CYS A 66 4.229 7.661 -39.694 1.00 63.23 C ATOM 1029 O CYS A 66 5.080 7.932 -40.542 1.00 55.52 O ATOM 1030 CB CYS A 66 1.850 7.165 -40.288 1.00 40.13 C ATOM 1031 SG CYS A 66 0.293 7.049 -39.349 1.00 25.20 S ATOM 0 H CYS A 66 3.481 9.424 -41.357 1.00 61.35 H new ATOM 0 HA CYS A 66 2.511 8.528 -38.764 1.00 53.21 H new ATOM 0 HB2 CYS A 66 1.618 7.379 -41.331 1.00 40.13 H new ATOM 0 HB3 CYS A 66 2.349 6.196 -40.265 1.00 40.13 H new ATOM 1036 N PRO A 67 4.487 6.850 -38.657 1.00 45.41 N ATOM 1037 CA PRO A 67 5.796 6.224 -38.449 1.00 23.03 C ATOM 1038 C PRO A 67 6.097 5.150 -39.489 1.00 3.32 C ATOM 1039 O PRO A 67 5.224 4.720 -40.243 1.00 1.31 O ATOM 1040 CB PRO A 67 5.673 5.600 -37.056 1.00 43.13 C ATOM 1041 CG PRO A 67 4.213 5.369 -36.873 1.00 21.44 C ATOM 1042 CD PRO A 67 3.521 6.483 -37.608 1.00 65.13 C ATOM 0 HA PRO A 67 6.611 6.943 -38.539 1.00 23.03 H new ATOM 0 HB2 PRO A 67 6.233 4.667 -36.989 1.00 43.13 H new ATOM 0 HB3 PRO A 67 6.068 6.265 -36.288 1.00 43.13 H new ATOM 0 HG2 PRO A 67 3.919 4.398 -37.271 1.00 21.44 H new ATOM 0 HG3 PRO A 67 3.947 5.375 -35.816 1.00 21.44 H new ATOM 0 HD2 PRO A 67 2.572 6.156 -38.032 1.00 65.13 H new ATOM 0 HD3 PRO A 67 3.303 7.324 -36.950 1.00 65.13 H new ATOM 1050 N PRO A 68 7.362 4.705 -39.532 1.00 52.11 N ATOM 1051 CA PRO A 68 7.806 3.675 -40.475 1.00 65.15 C ATOM 1052 C PRO A 68 7.231 2.302 -40.148 1.00 33.52 C ATOM 1053 O PRO A 68 6.999 1.976 -38.983 1.00 14.14 O ATOM 1054 CB PRO A 68 9.328 3.671 -40.306 1.00 13.43 C ATOM 1055 CG PRO A 68 9.556 4.183 -38.925 1.00 40.13 C ATOM 1056 CD PRO A 68 8.455 5.173 -38.663 1.00 72.12 C ATOM 0 HA PRO A 68 7.477 3.886 -41.492 1.00 65.15 H new ATOM 0 HB2 PRO A 68 9.738 2.668 -40.429 1.00 13.43 H new ATOM 0 HB3 PRO A 68 9.811 4.306 -41.049 1.00 13.43 H new ATOM 0 HG2 PRO A 68 9.531 3.371 -38.199 1.00 40.13 H new ATOM 0 HG3 PRO A 68 10.534 4.656 -38.841 1.00 40.13 H new ATOM 0 HD2 PRO A 68 8.160 5.178 -37.614 1.00 72.12 H new ATOM 0 HD3 PRO A 68 8.760 6.189 -38.913 1.00 72.12 H new ATOM 1064 N LEU A 69 7.003 1.499 -41.181 1.00 74.15 N ATOM 1065 CA LEU A 69 6.454 0.159 -41.003 1.00 60.03 C ATOM 1066 C LEU A 69 7.373 -0.892 -41.618 1.00 1.12 C ATOM 1067 O LEU A 69 6.925 -1.969 -42.010 1.00 11.33 O ATOM 1068 CB LEU A 69 5.063 0.068 -41.634 1.00 22.14 C ATOM 1069 CG LEU A 69 4.152 1.278 -41.427 1.00 10.23 C ATOM 1070 CD1 LEU A 69 4.325 2.277 -42.561 1.00 32.43 C ATOM 1071 CD2 LEU A 69 2.699 0.839 -41.317 1.00 0.32 C ATOM 0 H LEU A 69 7.190 1.752 -42.151 1.00 74.15 H new ATOM 0 HA LEU A 69 6.375 -0.035 -39.933 1.00 60.03 H new ATOM 0 HB2 LEU A 69 5.182 -0.093 -42.705 1.00 22.14 H new ATOM 0 HB3 LEU A 69 4.561 -0.812 -41.233 1.00 22.14 H new ATOM 0 HG LEU A 69 4.435 1.766 -40.494 1.00 10.23 H new ATOM 0 HD11 LEU A 69 3.669 3.131 -42.396 1.00 32.43 H new ATOM 0 HD12 LEU A 69 5.361 2.616 -42.593 1.00 32.43 H new ATOM 0 HD13 LEU A 69 4.070 1.801 -43.508 1.00 32.43 H new ATOM 0 HD21 LEU A 69 2.065 1.713 -41.170 1.00 0.32 H new ATOM 0 HD22 LEU A 69 2.404 0.326 -42.232 1.00 0.32 H new ATOM 0 HD23 LEU A 69 2.586 0.163 -40.470 1.00 0.32 H new ATOM 1083 N GLU A 70 8.661 -0.571 -41.696 1.00 71.32 N ATOM 1084 CA GLU A 70 9.643 -1.489 -42.262 1.00 32.12 C ATOM 1085 C GLU A 70 10.647 -1.933 -41.202 1.00 11.53 C ATOM 1086 O GLU A 70 10.305 -2.068 -40.027 1.00 61.04 O ATOM 1087 CB GLU A 70 10.377 -0.829 -43.431 1.00 12.02 C ATOM 1088 CG GLU A 70 11.239 -1.792 -44.230 1.00 12.21 C ATOM 1089 CD GLU A 70 10.439 -2.933 -44.828 1.00 14.41 C ATOM 1090 OE1 GLU A 70 9.654 -2.680 -45.766 1.00 31.04 O ATOM 1091 OE2 GLU A 70 10.598 -4.079 -44.357 1.00 51.44 O ATOM 0 H GLU A 70 9.048 0.316 -41.375 1.00 71.32 H new ATOM 0 HA GLU A 70 9.112 -2.369 -42.626 1.00 32.12 H new ATOM 0 HB2 GLU A 70 9.645 -0.372 -44.097 1.00 12.02 H new ATOM 0 HB3 GLU A 70 11.005 -0.025 -43.047 1.00 12.02 H new ATOM 0 HG2 GLU A 70 11.741 -1.247 -45.030 1.00 12.21 H new ATOM 0 HG3 GLU A 70 12.017 -2.198 -43.584 1.00 12.21 H new TER 1098 GLU A 70