USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 18 CYS SG : rot 110:sc= 1.02 USER MOD Set 1.2: A 67 CYS SG : rot 76:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= -0.781 (180deg=-1.44) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0099 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 88:sc= 1.31 USER MOD Single : A 19 GLN : amide:sc= -0.0016 X(o=-0.0016,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 50:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.0079) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.685 X(o=-0.68,f=-0.24) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.695 K(o=-0.69,f=-1.4) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.00652 X(o=0.0065,f=-0.13) USER MOD Single : A 73 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.265 -0.317 -5.810 1.00 24.24 N ATOM 2 CA MET A 1 2.123 0.333 -5.178 1.00 41.32 C ATOM 3 C MET A 1 2.583 1.418 -4.209 1.00 35.43 C ATOM 4 O MET A 1 3.427 1.176 -3.347 1.00 14.11 O ATOM 5 CB MET A 1 1.266 -0.697 -4.440 1.00 52.15 C ATOM 6 CG MET A 1 2.073 -1.656 -3.581 1.00 4.55 C ATOM 7 SD MET A 1 1.211 -2.127 -2.069 1.00 22.21 S ATOM 8 CE MET A 1 0.677 -3.785 -2.487 1.00 52.20 C ATOM 0 H1 MET A 1 3.256 -0.119 -6.831 1.00 24.24 H new ATOM 0 H2 MET A 1 4.146 0.048 -5.395 1.00 24.24 H new ATOM 0 H3 MET A 1 3.209 -1.344 -5.656 1.00 24.24 H new ATOM 0 HA MET A 1 1.524 0.799 -5.960 1.00 41.32 H new ATOM 0 HB2 MET A 1 0.547 -0.174 -3.809 1.00 52.15 H new ATOM 0 HB3 MET A 1 0.693 -1.270 -5.169 1.00 52.15 H new ATOM 0 HG2 MET A 1 2.301 -2.552 -4.159 1.00 4.55 H new ATOM 0 HG3 MET A 1 3.025 -1.193 -3.323 1.00 4.55 H new ATOM 0 HE1 MET A 1 0.127 -4.212 -1.648 1.00 52.20 H new ATOM 0 HE2 MET A 1 0.031 -3.749 -3.364 1.00 52.20 H new ATOM 0 HE3 MET A 1 1.548 -4.404 -2.703 1.00 52.20 H new ATOM 18 N GLY A 2 2.021 2.614 -4.356 1.00 61.01 N ATOM 19 CA GLY A 2 2.386 3.717 -3.487 1.00 4.03 C ATOM 20 C GLY A 2 3.720 4.333 -3.861 1.00 52.21 C ATOM 21 O GLY A 2 3.958 4.654 -5.025 1.00 52.53 O ATOM 0 H GLY A 2 1.319 2.838 -5.062 1.00 61.01 H new ATOM 0 HA2 GLY A 2 1.611 4.482 -3.531 1.00 4.03 H new ATOM 0 HA3 GLY A 2 2.428 3.365 -2.456 1.00 4.03 H new ATOM 25 N SER A 3 4.591 4.500 -2.872 1.00 5.14 N ATOM 26 CA SER A 3 5.906 5.087 -3.102 1.00 42.30 C ATOM 27 C SER A 3 6.774 4.161 -3.948 1.00 62.12 C ATOM 28 O SER A 3 7.597 4.617 -4.742 1.00 53.23 O ATOM 29 CB SER A 3 6.599 5.378 -1.769 1.00 61.33 C ATOM 30 OG SER A 3 5.660 5.757 -0.778 1.00 70.51 O ATOM 0 H SER A 3 4.410 4.237 -1.903 1.00 5.14 H new ATOM 0 HA SER A 3 5.769 6.023 -3.644 1.00 42.30 H new ATOM 0 HB2 SER A 3 7.144 4.494 -1.439 1.00 61.33 H new ATOM 0 HB3 SER A 3 7.332 6.173 -1.903 1.00 61.33 H new ATOM 0 HG SER A 3 6.128 5.936 0.064 1.00 70.51 H new ATOM 36 N TRP A 4 6.584 2.858 -3.772 1.00 2.52 N ATOM 37 CA TRP A 4 7.350 1.867 -4.519 1.00 35.42 C ATOM 38 C TRP A 4 7.043 1.953 -6.010 1.00 22.31 C ATOM 39 O TRP A 4 7.944 1.865 -6.844 1.00 12.52 O ATOM 40 CB TRP A 4 7.041 0.460 -4.003 1.00 4.14 C ATOM 41 CG TRP A 4 7.516 -0.626 -4.919 1.00 63.34 C ATOM 42 CD1 TRP A 4 6.860 -1.125 -6.008 1.00 41.14 C ATOM 43 CD2 TRP A 4 8.749 -1.349 -4.825 1.00 74.24 C ATOM 44 NE1 TRP A 4 7.610 -2.114 -6.597 1.00 63.20 N ATOM 45 CE2 TRP A 4 8.774 -2.270 -5.891 1.00 34.31 C ATOM 46 CE3 TRP A 4 9.834 -1.307 -3.946 1.00 41.34 C ATOM 47 CZ2 TRP A 4 9.841 -3.140 -6.098 1.00 30.04 C ATOM 48 CZ3 TRP A 4 10.893 -2.171 -4.153 1.00 15.23 C ATOM 49 CH2 TRP A 4 10.890 -3.077 -5.222 1.00 3.14 C ATOM 0 H TRP A 4 5.907 2.464 -3.119 1.00 2.52 H new ATOM 0 HA TRP A 4 8.410 2.076 -4.372 1.00 35.42 H new ATOM 0 HB2 TRP A 4 7.505 0.329 -3.025 1.00 4.14 H new ATOM 0 HB3 TRP A 4 5.965 0.361 -3.861 1.00 4.14 H new ATOM 0 HD1 TRP A 4 5.893 -0.791 -6.355 1.00 41.14 H new ATOM 0 HE1 TRP A 4 7.344 -2.646 -7.426 1.00 63.20 H new ATOM 0 HE3 TRP A 4 9.845 -0.612 -3.119 1.00 41.34 H new ATOM 0 HZ2 TRP A 4 9.841 -3.840 -6.921 1.00 30.04 H new ATOM 0 HZ3 TRP A 4 11.737 -2.147 -3.479 1.00 15.23 H new ATOM 0 HH2 TRP A 4 11.733 -3.739 -5.357 1.00 3.14 H new ATOM 60 N ALA A 5 5.767 2.125 -6.339 1.00 31.45 N ATOM 61 CA ALA A 5 5.343 2.225 -7.730 1.00 21.35 C ATOM 62 C ALA A 5 6.168 3.264 -8.481 1.00 55.31 C ATOM 63 O ALA A 5 6.704 2.987 -9.553 1.00 75.14 O ATOM 64 CB ALA A 5 3.862 2.566 -7.807 1.00 4.12 C ATOM 0 H ALA A 5 5.009 2.198 -5.661 1.00 31.45 H new ATOM 0 HA ALA A 5 5.506 1.258 -8.205 1.00 21.35 H new ATOM 0 HB1 ALA A 5 3.559 2.638 -8.852 1.00 4.12 H new ATOM 0 HB2 ALA A 5 3.283 1.785 -7.314 1.00 4.12 H new ATOM 0 HB3 ALA A 5 3.682 3.520 -7.311 1.00 4.12 H new ATOM 70 N GLU A 6 6.264 4.462 -7.911 1.00 74.43 N ATOM 71 CA GLU A 6 7.022 5.543 -8.530 1.00 30.41 C ATOM 72 C GLU A 6 8.473 5.129 -8.757 1.00 21.51 C ATOM 73 O GLU A 6 8.995 5.236 -9.867 1.00 13.20 O ATOM 74 CB GLU A 6 6.969 6.798 -7.656 1.00 71.51 C ATOM 75 CG GLU A 6 5.712 7.627 -7.858 1.00 31.13 C ATOM 76 CD GLU A 6 5.976 9.117 -7.767 1.00 14.41 C ATOM 77 OE1 GLU A 6 6.391 9.582 -6.685 1.00 14.32 O ATOM 78 OE2 GLU A 6 5.767 9.819 -8.779 1.00 30.11 O ATOM 0 H GLU A 6 5.827 4.708 -7.023 1.00 74.43 H new ATOM 0 HA GLU A 6 6.569 5.763 -9.497 1.00 30.41 H new ATOM 0 HB2 GLU A 6 7.036 6.504 -6.608 1.00 71.51 H new ATOM 0 HB3 GLU A 6 7.841 7.417 -7.870 1.00 71.51 H new ATOM 0 HG2 GLU A 6 5.282 7.397 -8.833 1.00 31.13 H new ATOM 0 HG3 GLU A 6 4.972 7.346 -7.109 1.00 31.13 H new ATOM 85 N PHE A 7 9.120 4.655 -7.697 1.00 12.00 N ATOM 86 CA PHE A 7 10.511 4.226 -7.779 1.00 41.10 C ATOM 87 C PHE A 7 10.680 3.123 -8.820 1.00 53.31 C ATOM 88 O PHE A 7 11.694 3.059 -9.515 1.00 51.23 O ATOM 89 CB PHE A 7 10.996 3.733 -6.414 1.00 43.12 C ATOM 90 CG PHE A 7 11.726 4.781 -5.623 1.00 33.10 C ATOM 91 CD1 PHE A 7 11.049 5.874 -5.106 1.00 72.05 C ATOM 92 CD2 PHE A 7 13.088 4.673 -5.396 1.00 43.12 C ATOM 93 CE1 PHE A 7 11.717 6.840 -4.378 1.00 31.14 C ATOM 94 CE2 PHE A 7 13.762 5.635 -4.668 1.00 15.52 C ATOM 95 CZ PHE A 7 13.075 6.721 -4.159 1.00 23.21 C ATOM 0 H PHE A 7 8.703 4.558 -6.771 1.00 12.00 H new ATOM 0 HA PHE A 7 11.112 5.083 -8.083 1.00 41.10 H new ATOM 0 HB2 PHE A 7 10.139 3.385 -5.837 1.00 43.12 H new ATOM 0 HB3 PHE A 7 11.653 2.875 -6.559 1.00 43.12 H new ATOM 0 HD1 PHE A 7 9.987 5.972 -5.274 1.00 72.05 H new ATOM 0 HD2 PHE A 7 13.630 3.827 -5.793 1.00 43.12 H new ATOM 0 HE1 PHE A 7 11.177 7.687 -3.981 1.00 31.14 H new ATOM 0 HE2 PHE A 7 14.824 5.538 -4.497 1.00 15.52 H new ATOM 0 HZ PHE A 7 13.600 7.475 -3.591 1.00 23.21 H new ATOM 105 N LYS A 8 9.678 2.256 -8.922 1.00 24.35 N ATOM 106 CA LYS A 8 9.713 1.155 -9.877 1.00 61.01 C ATOM 107 C LYS A 8 9.648 1.676 -11.309 1.00 64.44 C ATOM 108 O LYS A 8 10.346 1.176 -12.192 1.00 54.41 O ATOM 109 CB LYS A 8 8.551 0.193 -9.620 1.00 63.40 C ATOM 110 CG LYS A 8 8.993 -1.183 -9.150 1.00 41.44 C ATOM 111 CD LYS A 8 9.929 -1.839 -10.151 1.00 22.40 C ATOM 112 CE LYS A 8 9.360 -3.151 -10.669 1.00 31.42 C ATOM 113 NZ LYS A 8 10.415 -4.017 -11.264 1.00 61.24 N ATOM 0 H LYS A 8 8.831 2.295 -8.355 1.00 24.35 H new ATOM 0 HA LYS A 8 10.654 0.621 -9.745 1.00 61.01 H new ATOM 0 HB2 LYS A 8 7.889 0.628 -8.871 1.00 63.40 H new ATOM 0 HB3 LYS A 8 7.970 0.086 -10.536 1.00 63.40 H new ATOM 0 HG2 LYS A 8 9.493 -1.096 -8.185 1.00 41.44 H new ATOM 0 HG3 LYS A 8 8.118 -1.816 -8.999 1.00 41.44 H new ATOM 0 HD2 LYS A 8 10.103 -1.161 -10.987 1.00 22.40 H new ATOM 0 HD3 LYS A 8 10.896 -2.021 -9.682 1.00 22.40 H new ATOM 0 HE2 LYS A 8 8.872 -3.683 -9.852 1.00 31.42 H new ATOM 0 HE3 LYS A 8 8.595 -2.945 -11.417 1.00 31.42 H new ATOM 0 HZ1 LYS A 8 9.987 -4.901 -11.605 1.00 61.24 H new ATOM 0 HZ2 LYS A 8 10.864 -3.520 -12.060 1.00 61.24 H new ATOM 0 HZ3 LYS A 8 11.132 -4.235 -10.543 1.00 61.24 H new ATOM 127 N GLN A 9 8.809 2.682 -11.531 1.00 75.52 N ATOM 128 CA GLN A 9 8.655 3.269 -12.857 1.00 13.43 C ATOM 129 C GLN A 9 9.945 3.948 -13.304 1.00 61.35 C ATOM 130 O GLN A 9 10.515 3.599 -14.339 1.00 32.34 O ATOM 131 CB GLN A 9 7.506 4.279 -12.860 1.00 10.55 C ATOM 132 CG GLN A 9 6.742 4.328 -14.173 1.00 34.13 C ATOM 133 CD GLN A 9 5.748 5.472 -14.228 1.00 21.32 C ATOM 134 OE1 GLN A 9 5.801 6.313 -15.126 1.00 23.43 O ATOM 135 NE2 GLN A 9 4.834 5.509 -13.265 1.00 40.03 N ATOM 0 H GLN A 9 8.226 3.108 -10.811 1.00 75.52 H new ATOM 0 HA GLN A 9 8.426 2.466 -13.558 1.00 13.43 H new ATOM 0 HB2 GLN A 9 6.814 4.031 -12.055 1.00 10.55 H new ATOM 0 HB3 GLN A 9 7.904 5.270 -12.644 1.00 10.55 H new ATOM 0 HG2 GLN A 9 7.449 4.426 -14.997 1.00 34.13 H new ATOM 0 HG3 GLN A 9 6.214 3.386 -14.317 1.00 34.13 H new ATOM 0 HE21 GLN A 9 4.827 4.791 -12.540 1.00 40.03 H new ATOM 0 HE22 GLN A 9 4.139 6.255 -13.250 1.00 40.03 H new ATOM 144 N ARG A 10 10.401 4.919 -12.520 1.00 35.33 N ATOM 145 CA ARG A 10 11.623 5.647 -12.837 1.00 0.25 C ATOM 146 C ARG A 10 12.800 4.690 -12.997 1.00 23.32 C ATOM 147 O ARG A 10 13.598 4.820 -13.926 1.00 62.12 O ATOM 148 CB ARG A 10 11.930 6.671 -11.742 1.00 40.12 C ATOM 149 CG ARG A 10 11.070 7.922 -11.820 1.00 43.22 C ATOM 150 CD ARG A 10 9.706 7.701 -11.185 1.00 44.32 C ATOM 151 NE ARG A 10 8.914 8.927 -11.150 1.00 52.54 N ATOM 152 CZ ARG A 10 9.141 9.926 -10.304 1.00 32.53 C ATOM 153 NH1 ARG A 10 10.132 9.843 -9.427 1.00 32.11 N ATOM 154 NH2 ARG A 10 8.376 11.009 -10.333 1.00 51.45 N ATOM 0 H ARG A 10 9.942 5.220 -11.660 1.00 35.33 H new ATOM 0 HA ARG A 10 11.471 6.169 -13.782 1.00 0.25 H new ATOM 0 HB2 ARG A 10 11.788 6.203 -10.768 1.00 40.12 H new ATOM 0 HB3 ARG A 10 12.980 6.957 -11.808 1.00 40.12 H new ATOM 0 HG2 ARG A 10 11.577 8.745 -11.317 1.00 43.22 H new ATOM 0 HG3 ARG A 10 10.944 8.214 -12.863 1.00 43.22 H new ATOM 0 HD2 ARG A 10 9.166 6.936 -11.743 1.00 44.32 H new ATOM 0 HD3 ARG A 10 9.835 7.324 -10.171 1.00 44.32 H new ATOM 0 HE ARG A 10 8.144 9.022 -11.812 1.00 52.54 H new ATOM 0 HH11 ARG A 10 10.722 9.011 -9.401 1.00 32.11 H new ATOM 0 HH12 ARG A 10 10.305 10.611 -8.778 1.00 32.11 H new ATOM 0 HH21 ARG A 10 7.612 11.076 -11.005 1.00 51.45 H new ATOM 0 HH22 ARG A 10 8.552 11.775 -9.683 1.00 51.45 H new ATOM 168 N LEU A 11 12.903 3.729 -12.085 1.00 71.24 N ATOM 169 CA LEU A 11 13.983 2.749 -12.125 1.00 0.02 C ATOM 170 C LEU A 11 13.899 1.896 -13.387 1.00 11.33 C ATOM 171 O LEU A 11 14.918 1.562 -13.991 1.00 35.34 O ATOM 172 CB LEU A 11 13.931 1.853 -10.886 1.00 1.42 C ATOM 173 CG LEU A 11 14.923 0.690 -10.856 1.00 44.43 C ATOM 174 CD1 LEU A 11 15.366 0.402 -9.430 1.00 52.31 C ATOM 175 CD2 LEU A 11 14.309 -0.551 -11.487 1.00 42.22 C ATOM 0 H LEU A 11 12.252 3.608 -11.309 1.00 71.24 H new ATOM 0 HA LEU A 11 14.930 3.289 -12.136 1.00 0.02 H new ATOM 0 HB2 LEU A 11 14.103 2.473 -10.006 1.00 1.42 H new ATOM 0 HB3 LEU A 11 12.923 1.447 -10.798 1.00 1.42 H new ATOM 0 HG LEU A 11 15.801 0.972 -11.437 1.00 44.43 H new ATOM 0 HD11 LEU A 11 16.072 -0.429 -9.429 1.00 52.31 H new ATOM 0 HD12 LEU A 11 15.847 1.287 -9.013 1.00 52.31 H new ATOM 0 HD13 LEU A 11 14.498 0.141 -8.825 1.00 52.31 H new ATOM 0 HD21 LEU A 11 15.029 -1.369 -11.457 1.00 42.22 H new ATOM 0 HD22 LEU A 11 13.414 -0.835 -10.934 1.00 42.22 H new ATOM 0 HD23 LEU A 11 14.044 -0.339 -12.523 1.00 42.22 H new ATOM 187 N ALA A 12 12.678 1.550 -13.780 1.00 74.12 N ATOM 188 CA ALA A 12 12.460 0.740 -14.972 1.00 42.15 C ATOM 189 C ALA A 12 12.922 1.474 -16.227 1.00 4.34 C ATOM 190 O ALA A 12 13.593 0.898 -17.083 1.00 0.53 O ATOM 191 CB ALA A 12 10.992 0.360 -15.092 1.00 13.21 C ATOM 0 H ALA A 12 11.824 1.818 -13.290 1.00 74.12 H new ATOM 0 HA ALA A 12 13.053 -0.170 -14.875 1.00 42.15 H new ATOM 0 HB1 ALA A 12 10.845 -0.245 -15.987 1.00 13.21 H new ATOM 0 HB2 ALA A 12 10.691 -0.212 -14.214 1.00 13.21 H new ATOM 0 HB3 ALA A 12 10.387 1.264 -15.161 1.00 13.21 H new ATOM 197 N ALA A 13 12.559 2.748 -16.329 1.00 15.54 N ATOM 198 CA ALA A 13 12.937 3.561 -17.478 1.00 2.44 C ATOM 199 C ALA A 13 14.448 3.758 -17.537 1.00 63.21 C ATOM 200 O ALA A 13 15.049 3.698 -18.610 1.00 65.20 O ATOM 201 CB ALA A 13 12.230 4.907 -17.428 1.00 54.50 C ATOM 0 H ALA A 13 12.003 3.240 -15.629 1.00 15.54 H new ATOM 0 HA ALA A 13 12.629 3.034 -18.381 1.00 2.44 H new ATOM 0 HB1 ALA A 13 12.522 5.504 -18.292 1.00 54.50 H new ATOM 0 HB2 ALA A 13 11.151 4.752 -17.442 1.00 54.50 H new ATOM 0 HB3 ALA A 13 12.510 5.431 -16.514 1.00 54.50 H new ATOM 207 N ILE A 14 15.056 3.993 -16.379 1.00 14.10 N ATOM 208 CA ILE A 14 16.497 4.198 -16.300 1.00 74.14 C ATOM 209 C ILE A 14 17.254 2.931 -16.683 1.00 74.30 C ATOM 210 O ILE A 14 18.288 2.989 -17.348 1.00 24.23 O ATOM 211 CB ILE A 14 16.927 4.633 -14.887 1.00 62.31 C ATOM 212 CG1 ILE A 14 16.259 5.957 -14.512 1.00 4.23 C ATOM 213 CG2 ILE A 14 18.442 4.756 -14.809 1.00 54.14 C ATOM 214 CD1 ILE A 14 16.046 6.126 -13.024 1.00 35.43 C ATOM 0 H ILE A 14 14.573 4.046 -15.482 1.00 14.10 H new ATOM 0 HA ILE A 14 16.742 4.992 -17.005 1.00 74.14 H new ATOM 0 HB ILE A 14 16.607 3.872 -14.175 1.00 62.31 H new ATOM 0 HG12 ILE A 14 16.872 6.780 -14.879 1.00 4.23 H new ATOM 0 HG13 ILE A 14 15.296 6.025 -15.019 1.00 4.23 H new ATOM 0 HG21 ILE A 14 18.731 5.064 -13.804 1.00 54.14 H new ATOM 0 HG22 ILE A 14 18.898 3.793 -15.038 1.00 54.14 H new ATOM 0 HG23 ILE A 14 18.784 5.499 -15.529 1.00 54.14 H new ATOM 0 HD11 ILE A 14 15.568 7.087 -12.832 1.00 35.43 H new ATOM 0 HD12 ILE A 14 15.408 5.323 -12.654 1.00 35.43 H new ATOM 0 HD13 ILE A 14 17.008 6.090 -12.512 1.00 35.43 H new ATOM 226 N LYS A 15 16.730 1.785 -16.260 1.00 50.04 N ATOM 227 CA LYS A 15 17.353 0.502 -16.561 1.00 23.55 C ATOM 228 C LYS A 15 17.255 0.184 -18.049 1.00 74.41 C ATOM 229 O LYS A 15 18.214 -0.289 -18.659 1.00 65.01 O ATOM 230 CB LYS A 15 16.693 -0.613 -15.745 1.00 52.43 C ATOM 231 CG LYS A 15 17.677 -1.440 -14.936 1.00 51.43 C ATOM 232 CD LYS A 15 17.379 -2.926 -15.046 1.00 11.52 C ATOM 233 CE LYS A 15 17.799 -3.672 -13.789 1.00 32.30 C ATOM 234 NZ LYS A 15 19.033 -4.476 -14.008 1.00 30.41 N ATOM 0 H LYS A 15 15.875 1.719 -15.708 1.00 50.04 H new ATOM 0 HA LYS A 15 18.407 0.567 -16.291 1.00 23.55 H new ATOM 0 HB2 LYS A 15 15.960 -0.172 -15.069 1.00 52.43 H new ATOM 0 HB3 LYS A 15 16.147 -1.272 -16.421 1.00 52.43 H new ATOM 0 HG2 LYS A 15 18.691 -1.245 -15.285 1.00 51.43 H new ATOM 0 HG3 LYS A 15 17.636 -1.136 -13.890 1.00 51.43 H new ATOM 0 HD2 LYS A 15 16.313 -3.073 -15.219 1.00 11.52 H new ATOM 0 HD3 LYS A 15 17.901 -3.340 -15.908 1.00 11.52 H new ATOM 0 HE2 LYS A 15 17.969 -2.958 -12.983 1.00 32.30 H new ATOM 0 HE3 LYS A 15 16.990 -4.328 -13.469 1.00 32.30 H new ATOM 0 HZ1 LYS A 15 19.287 -4.969 -13.128 1.00 30.41 H new ATOM 0 HZ2 LYS A 15 18.864 -5.174 -14.760 1.00 30.41 H new ATOM 0 HZ3 LYS A 15 19.812 -3.847 -14.289 1.00 30.41 H new ATOM 248 N THR A 16 16.088 0.447 -18.630 1.00 21.00 N ATOM 249 CA THR A 16 15.864 0.189 -20.047 1.00 4.32 C ATOM 250 C THR A 16 16.795 1.031 -20.912 1.00 63.34 C ATOM 251 O THR A 16 17.506 0.505 -21.769 1.00 24.43 O ATOM 252 CB THR A 16 14.406 0.481 -20.447 1.00 50.25 C ATOM 253 OG1 THR A 16 13.510 -0.096 -19.491 1.00 62.20 O ATOM 254 CG2 THR A 16 14.104 -0.073 -21.832 1.00 12.33 C ATOM 0 H THR A 16 15.283 0.839 -18.140 1.00 21.00 H new ATOM 0 HA THR A 16 16.074 -0.868 -20.214 1.00 4.32 H new ATOM 0 HB THR A 16 14.267 1.562 -20.467 1.00 50.25 H new ATOM 0 HG1 THR A 16 13.348 0.544 -18.767 1.00 62.20 H new ATOM 0 HG21 THR A 16 13.069 0.145 -22.093 1.00 12.33 H new ATOM 0 HG22 THR A 16 14.768 0.390 -22.562 1.00 12.33 H new ATOM 0 HG23 THR A 16 14.259 -1.152 -21.834 1.00 12.33 H new ATOM 262 N ARG A 17 16.787 2.340 -20.683 1.00 75.23 N ATOM 263 CA ARG A 17 17.630 3.254 -21.443 1.00 44.03 C ATOM 264 C ARG A 17 19.108 2.974 -21.183 1.00 74.20 C ATOM 265 O ARG A 17 19.947 3.144 -22.068 1.00 2.01 O ATOM 266 CB ARG A 17 17.304 4.704 -21.081 1.00 32.12 C ATOM 267 CG ARG A 17 16.354 5.377 -22.058 1.00 42.02 C ATOM 268 CD ARG A 17 15.024 5.711 -21.402 1.00 73.20 C ATOM 269 NE ARG A 17 14.942 7.117 -21.015 1.00 32.42 N ATOM 270 CZ ARG A 17 13.834 7.690 -20.558 1.00 72.24 C ATOM 271 NH1 ARG A 17 12.720 6.981 -20.432 1.00 43.13 N ATOM 272 NH2 ARG A 17 13.838 8.975 -20.226 1.00 63.55 N ATOM 0 H ARG A 17 16.206 2.791 -19.977 1.00 75.23 H new ATOM 0 HA ARG A 17 17.428 3.097 -22.503 1.00 44.03 H new ATOM 0 HB2 ARG A 17 16.865 4.731 -20.084 1.00 32.12 H new ATOM 0 HB3 ARG A 17 18.231 5.276 -21.037 1.00 32.12 H new ATOM 0 HG2 ARG A 17 16.811 6.289 -22.441 1.00 42.02 H new ATOM 0 HG3 ARG A 17 16.185 4.722 -22.913 1.00 42.02 H new ATOM 0 HD2 ARG A 17 14.212 5.476 -22.090 1.00 73.20 H new ATOM 0 HD3 ARG A 17 14.887 5.084 -20.521 1.00 73.20 H new ATOM 0 HE ARG A 17 15.781 7.690 -21.100 1.00 32.42 H new ATOM 0 HH11 ARG A 17 12.713 5.993 -20.686 1.00 43.13 H new ATOM 0 HH12 ARG A 17 11.871 7.424 -20.081 1.00 43.13 H new ATOM 0 HH21 ARG A 17 14.692 9.524 -20.322 1.00 63.55 H new ATOM 0 HH22 ARG A 17 12.987 9.414 -19.875 1.00 63.55 H new ATOM 286 N CYS A 18 19.417 2.544 -19.965 1.00 1.32 N ATOM 287 CA CYS A 18 20.793 2.242 -19.587 1.00 62.34 C ATOM 288 C CYS A 18 21.289 0.988 -20.300 1.00 22.31 C ATOM 289 O CYS A 18 22.457 0.899 -20.679 1.00 33.13 O ATOM 290 CB CYS A 18 20.900 2.058 -18.073 1.00 1.52 C ATOM 291 SG CYS A 18 22.456 1.316 -17.527 1.00 74.31 S ATOM 0 H CYS A 18 18.734 2.397 -19.222 1.00 1.32 H new ATOM 0 HA CYS A 18 21.419 3.082 -19.888 1.00 62.34 H new ATOM 0 HB2 CYS A 18 20.784 3.029 -17.591 1.00 1.52 H new ATOM 0 HB3 CYS A 18 20.074 1.433 -17.735 1.00 1.52 H new ATOM 0 HG CYS A 18 23.168 2.209 -16.905 1.00 74.31 H new ATOM 297 N GLN A 19 20.394 0.021 -20.477 1.00 4.01 N ATOM 298 CA GLN A 19 20.743 -1.229 -21.142 1.00 35.12 C ATOM 299 C GLN A 19 20.914 -1.018 -22.642 1.00 60.25 C ATOM 300 O GLN A 19 21.856 -1.530 -23.247 1.00 54.23 O ATOM 301 CB GLN A 19 19.667 -2.286 -20.883 1.00 1.31 C ATOM 302 CG GLN A 19 19.555 -2.695 -19.423 1.00 51.50 C ATOM 303 CD GLN A 19 20.083 -4.092 -19.166 1.00 44.10 C ATOM 304 OE1 GLN A 19 19.401 -4.927 -18.571 1.00 1.51 O ATOM 305 NE2 GLN A 19 21.305 -4.355 -19.615 1.00 3.23 N ATOM 0 H GLN A 19 19.423 0.079 -20.170 1.00 4.01 H new ATOM 0 HA GLN A 19 21.691 -1.577 -20.732 1.00 35.12 H new ATOM 0 HB2 GLN A 19 18.704 -1.902 -21.219 1.00 1.31 H new ATOM 0 HB3 GLN A 19 19.885 -3.169 -21.483 1.00 1.31 H new ATOM 0 HG2 GLN A 19 20.105 -1.984 -18.807 1.00 51.50 H new ATOM 0 HG3 GLN A 19 18.511 -2.643 -19.114 1.00 51.50 H new ATOM 0 HE21 GLN A 19 21.835 -3.633 -20.103 1.00 3.23 H new ATOM 0 HE22 GLN A 19 21.713 -5.279 -19.472 1.00 3.23 H new ATOM 314 N ALA A 20 19.997 -0.262 -23.237 1.00 44.32 N ATOM 315 CA ALA A 20 20.048 0.018 -24.667 1.00 3.12 C ATOM 316 C ALA A 20 21.115 1.061 -24.984 1.00 74.04 C ATOM 317 O ALA A 20 21.663 1.087 -26.087 1.00 3.01 O ATOM 318 CB ALA A 20 18.687 0.484 -25.162 1.00 43.32 C ATOM 0 H ALA A 20 19.210 0.168 -22.751 1.00 44.32 H new ATOM 0 HA ALA A 20 20.314 -0.904 -25.184 1.00 3.12 H new ATOM 0 HB1 ALA A 20 18.740 0.690 -26.231 1.00 43.32 H new ATOM 0 HB2 ALA A 20 17.947 -0.295 -24.978 1.00 43.32 H new ATOM 0 HB3 ALA A 20 18.398 1.392 -24.632 1.00 43.32 H new ATOM 324 N LEU A 21 21.404 1.920 -24.013 1.00 35.42 N ATOM 325 CA LEU A 21 22.405 2.966 -24.189 1.00 74.02 C ATOM 326 C LEU A 21 22.137 3.767 -25.459 1.00 62.14 C ATOM 327 O LEU A 21 23.059 4.300 -26.075 1.00 64.54 O ATOM 328 CB LEU A 21 23.806 2.355 -24.244 1.00 32.35 C ATOM 329 CG LEU A 21 24.360 1.828 -22.919 1.00 61.04 C ATOM 330 CD1 LEU A 21 25.758 1.262 -23.113 1.00 43.24 C ATOM 331 CD2 LEU A 21 24.369 2.929 -21.869 1.00 44.33 C ATOM 0 H LEU A 21 20.959 1.913 -23.095 1.00 35.42 H new ATOM 0 HA LEU A 21 22.343 3.641 -23.335 1.00 74.02 H new ATOM 0 HB2 LEU A 21 23.795 1.535 -24.962 1.00 32.35 H new ATOM 0 HB3 LEU A 21 24.494 3.107 -24.629 1.00 32.35 H new ATOM 0 HG LEU A 21 23.711 1.026 -22.569 1.00 61.04 H new ATOM 0 HD11 LEU A 21 26.136 0.892 -22.160 1.00 43.24 H new ATOM 0 HD12 LEU A 21 25.723 0.444 -23.832 1.00 43.24 H new ATOM 0 HD13 LEU A 21 26.419 2.044 -23.486 1.00 43.24 H new ATOM 0 HD21 LEU A 21 24.766 2.536 -20.933 1.00 44.33 H new ATOM 0 HD22 LEU A 21 24.995 3.753 -22.211 1.00 44.33 H new ATOM 0 HD23 LEU A 21 23.352 3.288 -21.709 1.00 44.33 H new ATOM 343 N GLY A 22 20.867 3.849 -25.845 1.00 2.42 N ATOM 344 CA GLY A 22 20.501 4.589 -27.038 1.00 52.04 C ATOM 345 C GLY A 22 20.178 6.041 -26.745 1.00 24.22 C ATOM 346 O GLY A 22 20.063 6.856 -27.659 1.00 65.42 O ATOM 0 H GLY A 22 20.086 3.416 -25.353 1.00 2.42 H new ATOM 0 HA2 GLY A 22 21.319 4.540 -27.757 1.00 52.04 H new ATOM 0 HA3 GLY A 22 19.637 4.115 -27.505 1.00 52.04 H new ATOM 350 N GLY A 23 20.030 6.365 -25.464 1.00 4.42 N ATOM 351 CA GLY A 23 19.719 7.728 -25.075 1.00 52.42 C ATOM 352 C GLY A 23 20.674 8.737 -25.682 1.00 10.02 C ATOM 353 O GLY A 23 20.332 9.427 -26.642 1.00 72.54 O ATOM 0 H GLY A 23 20.120 5.708 -24.689 1.00 4.42 H new ATOM 0 HA2 GLY A 23 18.701 7.966 -25.381 1.00 52.42 H new ATOM 0 HA3 GLY A 23 19.752 7.809 -23.989 1.00 52.42 H new ATOM 357 N SER A 24 21.875 8.825 -25.119 1.00 50.11 N ATOM 358 CA SER A 24 22.881 9.761 -25.607 1.00 40.11 C ATOM 359 C SER A 24 24.205 9.566 -24.875 1.00 1.24 C ATOM 360 O SER A 24 24.228 9.220 -23.694 1.00 52.01 O ATOM 361 CB SER A 24 22.396 11.201 -25.432 1.00 54.42 C ATOM 362 OG SER A 24 23.171 12.099 -26.208 1.00 73.43 O ATOM 0 H SER A 24 22.175 8.260 -24.325 1.00 50.11 H new ATOM 0 HA SER A 24 23.040 9.565 -26.667 1.00 40.11 H new ATOM 0 HB2 SER A 24 21.349 11.273 -25.725 1.00 54.42 H new ATOM 0 HB3 SER A 24 22.453 11.482 -24.380 1.00 54.42 H new ATOM 0 HG SER A 24 22.840 13.012 -26.080 1.00 73.43 H new ATOM 368 N GLU A 25 25.306 9.791 -25.585 1.00 50.31 N ATOM 369 CA GLU A 25 26.634 9.640 -25.003 1.00 23.40 C ATOM 370 C GLU A 25 26.744 10.409 -23.690 1.00 10.31 C ATOM 371 O GLU A 25 27.384 9.953 -22.743 1.00 15.35 O ATOM 372 CB GLU A 25 27.704 10.127 -25.983 1.00 74.41 C ATOM 373 CG GLU A 25 27.362 11.449 -26.649 1.00 71.10 C ATOM 374 CD GLU A 25 28.482 12.465 -26.536 1.00 54.34 C ATOM 375 OE1 GLU A 25 29.556 12.233 -27.129 1.00 1.24 O ATOM 376 OE2 GLU A 25 28.282 13.493 -25.856 1.00 5.33 O ATOM 0 H GLU A 25 25.304 10.078 -26.564 1.00 50.31 H new ATOM 0 HA GLU A 25 26.794 8.581 -24.798 1.00 23.40 H new ATOM 0 HB2 GLU A 25 28.650 10.231 -25.452 1.00 74.41 H new ATOM 0 HB3 GLU A 25 27.852 9.369 -26.753 1.00 74.41 H new ATOM 0 HG2 GLU A 25 27.139 11.275 -27.702 1.00 71.10 H new ATOM 0 HG3 GLU A 25 26.459 11.857 -26.196 1.00 71.10 H new ATOM 383 N ALA A 26 26.116 11.579 -23.642 1.00 54.44 N ATOM 384 CA ALA A 26 26.141 12.412 -22.446 1.00 51.13 C ATOM 385 C ALA A 26 25.044 12.003 -21.470 1.00 15.44 C ATOM 386 O ALA A 26 25.235 12.044 -20.255 1.00 2.11 O ATOM 387 CB ALA A 26 25.996 13.879 -22.822 1.00 5.53 C ATOM 0 H ALA A 26 25.583 11.972 -24.418 1.00 54.44 H new ATOM 0 HA ALA A 26 27.102 12.268 -21.952 1.00 51.13 H new ATOM 0 HB1 ALA A 26 26.016 14.490 -21.919 1.00 5.53 H new ATOM 0 HB2 ALA A 26 26.818 14.170 -23.476 1.00 5.53 H new ATOM 0 HB3 ALA A 26 25.049 14.030 -23.341 1.00 5.53 H new ATOM 393 N GLU A 27 23.894 11.611 -22.009 1.00 34.20 N ATOM 394 CA GLU A 27 22.765 11.196 -21.183 1.00 44.43 C ATOM 395 C GLU A 27 23.194 10.142 -20.167 1.00 14.04 C ATOM 396 O GLU A 27 22.689 10.106 -19.044 1.00 12.13 O ATOM 397 CB GLU A 27 21.638 10.647 -22.060 1.00 12.42 C ATOM 398 CG GLU A 27 20.660 11.711 -22.530 1.00 73.21 C ATOM 399 CD GLU A 27 19.622 12.054 -21.479 1.00 53.45 C ATOM 400 OE1 GLU A 27 20.017 12.408 -20.349 1.00 4.40 O ATOM 401 OE2 GLU A 27 18.415 11.969 -21.787 1.00 54.10 O ATOM 0 H GLU A 27 23.719 11.572 -23.013 1.00 34.20 H new ATOM 0 HA GLU A 27 22.402 12.070 -20.643 1.00 44.43 H new ATOM 0 HB2 GLU A 27 22.073 10.155 -22.930 1.00 12.42 H new ATOM 0 HB3 GLU A 27 21.093 9.885 -21.502 1.00 12.42 H new ATOM 0 HG2 GLU A 27 21.211 12.612 -22.799 1.00 73.21 H new ATOM 0 HG3 GLU A 27 20.157 11.364 -23.432 1.00 73.21 H new ATOM 408 N CYS A 28 24.126 9.286 -20.569 1.00 21.24 N ATOM 409 CA CYS A 28 24.622 8.229 -19.694 1.00 31.02 C ATOM 410 C CYS A 28 25.053 8.797 -18.346 1.00 30.25 C ATOM 411 O CYS A 28 24.726 8.245 -17.295 1.00 54.33 O ATOM 412 CB CYS A 28 25.794 7.501 -20.353 1.00 4.12 C ATOM 413 SG CYS A 28 25.446 6.900 -22.022 1.00 41.43 S ATOM 0 H CYS A 28 24.554 9.303 -21.495 1.00 21.24 H new ATOM 0 HA CYS A 28 23.812 7.520 -19.526 1.00 31.02 H new ATOM 0 HB2 CYS A 28 26.650 8.174 -20.392 1.00 4.12 H new ATOM 0 HB3 CYS A 28 26.081 6.656 -19.727 1.00 4.12 H new ATOM 0 HG CYS A 28 24.934 7.861 -22.731 1.00 41.43 H new ATOM 419 N ALA A 29 25.791 9.902 -18.383 1.00 73.42 N ATOM 420 CA ALA A 29 26.267 10.544 -17.165 1.00 14.34 C ATOM 421 C ALA A 29 25.111 10.851 -16.218 1.00 72.41 C ATOM 422 O ALA A 29 25.124 10.445 -15.056 1.00 53.52 O ATOM 423 CB ALA A 29 27.027 11.818 -17.502 1.00 53.41 C ATOM 0 H ALA A 29 26.072 10.371 -19.244 1.00 73.42 H new ATOM 0 HA ALA A 29 26.943 9.853 -16.660 1.00 14.34 H new ATOM 0 HB1 ALA A 29 27.377 12.287 -16.582 1.00 53.41 H new ATOM 0 HB2 ALA A 29 27.882 11.576 -18.133 1.00 53.41 H new ATOM 0 HB3 ALA A 29 26.368 12.506 -18.032 1.00 53.41 H new ATOM 429 N ALA A 30 24.113 11.569 -16.723 1.00 61.20 N ATOM 430 CA ALA A 30 22.949 11.928 -15.923 1.00 1.04 C ATOM 431 C ALA A 30 22.295 10.690 -15.318 1.00 3.10 C ATOM 432 O ALA A 30 21.796 10.726 -14.193 1.00 3.10 O ATOM 433 CB ALA A 30 21.945 12.698 -16.767 1.00 40.33 C ATOM 0 H ALA A 30 24.088 11.913 -17.683 1.00 61.20 H new ATOM 0 HA ALA A 30 23.284 12.566 -15.105 1.00 1.04 H new ATOM 0 HB1 ALA A 30 21.081 12.959 -16.156 1.00 40.33 H new ATOM 0 HB2 ALA A 30 22.410 13.608 -17.146 1.00 40.33 H new ATOM 0 HB3 ALA A 30 21.623 12.079 -17.605 1.00 40.33 H new ATOM 439 N PHE A 31 22.301 9.596 -16.072 1.00 32.21 N ATOM 440 CA PHE A 31 21.706 8.347 -15.611 1.00 24.44 C ATOM 441 C PHE A 31 22.440 7.816 -14.382 1.00 51.41 C ATOM 442 O PHE A 31 21.820 7.487 -13.371 1.00 63.45 O ATOM 443 CB PHE A 31 21.736 7.301 -16.727 1.00 35.41 C ATOM 444 CG PHE A 31 20.413 7.124 -17.417 1.00 63.51 C ATOM 445 CD1 PHE A 31 19.590 8.212 -17.656 1.00 44.22 C ATOM 446 CD2 PHE A 31 19.993 5.868 -17.826 1.00 42.13 C ATOM 447 CE1 PHE A 31 18.373 8.053 -18.291 1.00 61.24 C ATOM 448 CE2 PHE A 31 18.777 5.703 -18.462 1.00 64.33 C ATOM 449 CZ PHE A 31 17.966 6.796 -18.694 1.00 52.11 C ATOM 0 H PHE A 31 22.711 9.549 -17.005 1.00 32.21 H new ATOM 0 HA PHE A 31 20.670 8.547 -15.337 1.00 24.44 H new ATOM 0 HB2 PHE A 31 22.486 7.589 -17.464 1.00 35.41 H new ATOM 0 HB3 PHE A 31 22.050 6.344 -16.309 1.00 35.41 H new ATOM 0 HD1 PHE A 31 19.903 9.197 -17.342 1.00 44.22 H new ATOM 0 HD2 PHE A 31 20.623 5.009 -17.646 1.00 42.13 H new ATOM 0 HE1 PHE A 31 17.741 8.910 -18.472 1.00 61.24 H new ATOM 0 HE2 PHE A 31 18.461 4.719 -18.777 1.00 64.33 H new ATOM 0 HZ PHE A 31 17.015 6.668 -19.190 1.00 52.11 H new ATOM 459 N GLU A 32 23.763 7.737 -14.479 1.00 5.43 N ATOM 460 CA GLU A 32 24.581 7.246 -13.376 1.00 22.00 C ATOM 461 C GLU A 32 24.333 8.060 -12.110 1.00 2.54 C ATOM 462 O GLU A 32 24.136 7.505 -11.029 1.00 24.04 O ATOM 463 CB GLU A 32 26.064 7.300 -13.748 1.00 44.11 C ATOM 464 CG GLU A 32 26.932 6.359 -12.929 1.00 2.50 C ATOM 465 CD GLU A 32 27.758 7.087 -11.886 1.00 44.24 C ATOM 466 OE1 GLU A 32 28.776 7.706 -12.263 1.00 11.02 O ATOM 467 OE2 GLU A 32 27.388 7.038 -10.695 1.00 23.11 O ATOM 0 H GLU A 32 24.291 8.006 -15.309 1.00 5.43 H new ATOM 0 HA GLU A 32 24.300 6.211 -13.182 1.00 22.00 H new ATOM 0 HB2 GLU A 32 26.174 7.055 -14.804 1.00 44.11 H new ATOM 0 HB3 GLU A 32 26.426 8.320 -13.618 1.00 44.11 H new ATOM 0 HG2 GLU A 32 26.298 5.623 -12.436 1.00 2.50 H new ATOM 0 HG3 GLU A 32 27.597 5.811 -13.596 1.00 2.50 H new ATOM 474 N LYS A 33 24.345 9.382 -12.251 1.00 73.43 N ATOM 475 CA LYS A 33 24.121 10.275 -11.121 1.00 33.21 C ATOM 476 C LYS A 33 22.763 10.009 -10.478 1.00 40.12 C ATOM 477 O LYS A 33 22.666 9.831 -9.265 1.00 15.14 O ATOM 478 CB LYS A 33 24.206 11.734 -11.573 1.00 11.30 C ATOM 479 CG LYS A 33 25.559 12.373 -11.313 1.00 41.44 C ATOM 480 CD LYS A 33 25.991 13.255 -12.473 1.00 41.11 C ATOM 481 CE LYS A 33 26.972 14.327 -12.023 1.00 62.21 C ATOM 482 NZ LYS A 33 27.588 15.036 -13.179 1.00 32.30 N ATOM 0 H LYS A 33 24.508 9.858 -13.138 1.00 73.43 H new ATOM 0 HA LYS A 33 24.898 10.085 -10.380 1.00 33.21 H new ATOM 0 HB2 LYS A 33 23.987 11.789 -12.639 1.00 11.30 H new ATOM 0 HB3 LYS A 33 23.437 12.310 -11.059 1.00 11.30 H new ATOM 0 HG2 LYS A 33 25.512 12.967 -10.400 1.00 41.44 H new ATOM 0 HG3 LYS A 33 26.304 11.595 -11.149 1.00 41.44 H new ATOM 0 HD2 LYS A 33 26.451 12.641 -13.247 1.00 41.11 H new ATOM 0 HD3 LYS A 33 25.115 13.726 -12.919 1.00 41.11 H new ATOM 0 HE2 LYS A 33 26.456 15.047 -11.388 1.00 62.21 H new ATOM 0 HE3 LYS A 33 27.755 13.871 -11.417 1.00 62.21 H new ATOM 0 HZ1 LYS A 33 28.250 15.758 -12.830 1.00 32.30 H new ATOM 0 HZ2 LYS A 33 28.101 14.353 -13.772 1.00 32.30 H new ATOM 0 HZ3 LYS A 33 26.843 15.493 -13.743 1.00 32.30 H new ATOM 496 N GLU A 34 21.719 9.983 -11.301 1.00 31.33 N ATOM 497 CA GLU A 34 20.368 9.738 -10.811 1.00 35.21 C ATOM 498 C GLU A 34 20.314 8.460 -9.979 1.00 34.31 C ATOM 499 O GLU A 34 19.754 8.444 -8.882 1.00 61.21 O ATOM 500 CB GLU A 34 19.387 9.639 -11.981 1.00 51.23 C ATOM 501 CG GLU A 34 18.211 10.595 -11.873 1.00 2.45 C ATOM 502 CD GLU A 34 16.973 9.935 -11.297 1.00 5.11 C ATOM 503 OE1 GLU A 34 16.830 9.924 -10.056 1.00 42.42 O ATOM 504 OE2 GLU A 34 16.149 9.429 -12.086 1.00 53.11 O ATOM 0 H GLU A 34 21.783 10.128 -12.309 1.00 31.33 H new ATOM 0 HA GLU A 34 20.082 10.577 -10.176 1.00 35.21 H new ATOM 0 HB2 GLU A 34 19.922 9.838 -12.910 1.00 51.23 H new ATOM 0 HB3 GLU A 34 19.010 8.618 -12.042 1.00 51.23 H new ATOM 0 HG2 GLU A 34 18.492 11.441 -11.246 1.00 2.45 H new ATOM 0 HG3 GLU A 34 17.979 10.993 -12.861 1.00 2.45 H new ATOM 511 N ILE A 35 20.898 7.391 -10.509 1.00 24.21 N ATOM 512 CA ILE A 35 20.918 6.109 -9.816 1.00 34.42 C ATOM 513 C ILE A 35 21.605 6.227 -8.460 1.00 11.12 C ATOM 514 O ILE A 35 21.112 5.714 -7.456 1.00 12.33 O ATOM 515 CB ILE A 35 21.633 5.029 -10.649 1.00 23.01 C ATOM 516 CG1 ILE A 35 20.869 4.766 -11.948 1.00 51.31 C ATOM 517 CG2 ILE A 35 21.776 3.746 -9.843 1.00 51.33 C ATOM 518 CD1 ILE A 35 19.503 4.154 -11.732 1.00 55.31 C ATOM 0 H ILE A 35 21.364 7.387 -11.416 1.00 24.21 H new ATOM 0 HA ILE A 35 19.879 5.814 -9.670 1.00 34.42 H new ATOM 0 HB ILE A 35 22.630 5.389 -10.903 1.00 23.01 H new ATOM 0 HG12 ILE A 35 20.756 5.705 -12.490 1.00 51.31 H new ATOM 0 HG13 ILE A 35 21.460 4.102 -12.580 1.00 51.31 H new ATOM 0 HG21 ILE A 35 22.283 2.992 -10.445 1.00 51.33 H new ATOM 0 HG22 ILE A 35 22.359 3.944 -8.944 1.00 51.33 H new ATOM 0 HG23 ILE A 35 20.788 3.381 -9.562 1.00 51.33 H new ATOM 0 HD11 ILE A 35 19.019 3.995 -12.696 1.00 55.31 H new ATOM 0 HD12 ILE A 35 19.609 3.199 -11.218 1.00 55.31 H new ATOM 0 HD13 ILE A 35 18.895 4.826 -11.127 1.00 55.31 H new ATOM 530 N ALA A 36 22.746 6.908 -8.438 1.00 51.23 N ATOM 531 CA ALA A 36 23.499 7.098 -7.205 1.00 63.20 C ATOM 532 C ALA A 36 22.633 7.737 -6.125 1.00 40.22 C ATOM 533 O ALA A 36 22.605 7.276 -4.985 1.00 34.51 O ATOM 534 CB ALA A 36 24.734 7.948 -7.466 1.00 71.01 C ATOM 0 H ALA A 36 23.169 7.337 -9.261 1.00 51.23 H new ATOM 0 HA ALA A 36 23.815 6.118 -6.847 1.00 63.20 H new ATOM 0 HB1 ALA A 36 25.287 8.082 -6.536 1.00 71.01 H new ATOM 0 HB2 ALA A 36 25.370 7.450 -8.198 1.00 71.01 H new ATOM 0 HB3 ALA A 36 24.431 8.922 -7.851 1.00 71.01 H new ATOM 540 N ALA A 37 21.928 8.803 -6.492 1.00 64.43 N ATOM 541 CA ALA A 37 21.060 9.504 -5.555 1.00 43.40 C ATOM 542 C ALA A 37 19.893 8.623 -5.122 1.00 44.33 C ATOM 543 O ALA A 37 19.448 8.685 -3.976 1.00 73.53 O ATOM 544 CB ALA A 37 20.548 10.795 -6.176 1.00 14.42 C ATOM 0 H ALA A 37 21.942 9.199 -7.432 1.00 64.43 H new ATOM 0 HA ALA A 37 21.645 9.747 -4.668 1.00 43.40 H new ATOM 0 HB1 ALA A 37 19.901 11.309 -5.465 1.00 14.42 H new ATOM 0 HB2 ALA A 37 21.392 11.437 -6.428 1.00 14.42 H new ATOM 0 HB3 ALA A 37 19.984 10.565 -7.080 1.00 14.42 H new ATOM 550 N PHE A 38 19.402 7.805 -6.046 1.00 72.55 N ATOM 551 CA PHE A 38 18.285 6.912 -5.761 1.00 32.34 C ATOM 552 C PHE A 38 18.635 5.946 -4.633 1.00 24.15 C ATOM 553 O PHE A 38 17.921 5.856 -3.635 1.00 1.24 O ATOM 554 CB PHE A 38 17.897 6.128 -7.016 1.00 74.11 C ATOM 555 CG PHE A 38 16.544 6.495 -7.558 1.00 25.34 C ATOM 556 CD1 PHE A 38 16.296 7.774 -8.030 1.00 23.45 C ATOM 557 CD2 PHE A 38 15.522 5.561 -7.595 1.00 71.42 C ATOM 558 CE1 PHE A 38 15.053 8.114 -8.528 1.00 33.25 C ATOM 559 CE2 PHE A 38 14.276 5.895 -8.093 1.00 23.14 C ATOM 560 CZ PHE A 38 14.042 7.173 -8.560 1.00 51.03 C ATOM 0 H PHE A 38 19.760 7.742 -6.999 1.00 72.55 H new ATOM 0 HA PHE A 38 17.438 7.521 -5.445 1.00 32.34 H new ATOM 0 HB2 PHE A 38 18.647 6.299 -7.788 1.00 74.11 H new ATOM 0 HB3 PHE A 38 17.911 5.062 -6.788 1.00 74.11 H new ATOM 0 HD1 PHE A 38 17.083 8.513 -8.008 1.00 23.45 H new ATOM 0 HD2 PHE A 38 15.700 4.560 -7.231 1.00 71.42 H new ATOM 0 HE1 PHE A 38 14.872 9.115 -8.892 1.00 33.25 H new ATOM 0 HE2 PHE A 38 13.487 5.158 -8.117 1.00 23.14 H new ATOM 0 HZ PHE A 38 13.070 7.437 -8.950 1.00 51.03 H new ATOM 570 N GLU A 39 19.740 5.225 -4.800 1.00 51.33 N ATOM 571 CA GLU A 39 20.184 4.265 -3.797 1.00 4.10 C ATOM 572 C GLU A 39 20.533 4.968 -2.488 1.00 61.11 C ATOM 573 O GLU A 39 20.234 4.468 -1.404 1.00 14.02 O ATOM 574 CB GLU A 39 21.397 3.484 -4.308 1.00 50.21 C ATOM 575 CG GLU A 39 22.550 4.370 -4.748 1.00 4.44 C ATOM 576 CD GLU A 39 23.715 3.577 -5.309 1.00 14.15 C ATOM 577 OE1 GLU A 39 23.658 2.330 -5.269 1.00 53.41 O ATOM 578 OE2 GLU A 39 24.683 4.204 -5.787 1.00 51.03 O ATOM 0 H GLU A 39 20.343 5.288 -5.620 1.00 51.33 H new ATOM 0 HA GLU A 39 19.366 3.570 -3.609 1.00 4.10 H new ATOM 0 HB2 GLU A 39 21.744 2.814 -3.522 1.00 50.21 H new ATOM 0 HB3 GLU A 39 21.089 2.859 -5.147 1.00 50.21 H new ATOM 0 HG2 GLU A 39 22.196 5.072 -5.503 1.00 4.44 H new ATOM 0 HG3 GLU A 39 22.893 4.961 -3.899 1.00 4.44 H new ATOM 585 N SER A 40 21.169 6.130 -2.598 1.00 54.14 N ATOM 586 CA SER A 40 21.563 6.900 -1.425 1.00 14.35 C ATOM 587 C SER A 40 20.337 7.424 -0.682 1.00 30.11 C ATOM 588 O SER A 40 20.370 7.614 0.533 1.00 15.23 O ATOM 589 CB SER A 40 22.463 8.068 -1.833 1.00 72.11 C ATOM 590 OG SER A 40 23.095 8.644 -0.703 1.00 60.02 O ATOM 0 H SER A 40 21.422 6.559 -3.488 1.00 54.14 H new ATOM 0 HA SER A 40 22.117 6.240 -0.758 1.00 14.35 H new ATOM 0 HB2 SER A 40 23.218 7.720 -2.538 1.00 72.11 H new ATOM 0 HB3 SER A 40 21.871 8.825 -2.348 1.00 72.11 H new ATOM 0 HG SER A 40 23.666 9.387 -0.991 1.00 60.02 H new ATOM 596 N GLU A 41 19.258 7.654 -1.423 1.00 15.42 N ATOM 597 CA GLU A 41 18.021 8.157 -0.835 1.00 24.11 C ATOM 598 C GLU A 41 17.215 7.022 -0.211 1.00 31.42 C ATOM 599 O GLU A 41 16.526 7.212 0.793 1.00 43.45 O ATOM 600 CB GLU A 41 17.180 8.872 -1.894 1.00 64.04 C ATOM 601 CG GLU A 41 17.601 10.312 -2.135 1.00 14.21 C ATOM 602 CD GLU A 41 16.974 10.902 -3.384 1.00 24.13 C ATOM 603 OE1 GLU A 41 17.277 10.408 -4.490 1.00 2.01 O ATOM 604 OE2 GLU A 41 16.181 11.858 -3.254 1.00 71.41 O ATOM 0 H GLU A 41 19.215 7.500 -2.430 1.00 15.42 H new ATOM 0 HA GLU A 41 18.284 8.867 -0.051 1.00 24.11 H new ATOM 0 HB2 GLU A 41 17.247 8.321 -2.832 1.00 64.04 H new ATOM 0 HB3 GLU A 41 16.134 8.854 -1.588 1.00 64.04 H new ATOM 0 HG2 GLU A 41 17.322 10.917 -1.272 1.00 14.21 H new ATOM 0 HG3 GLU A 41 18.687 10.360 -2.221 1.00 14.21 H new ATOM 611 N LEU A 42 17.305 5.840 -0.812 1.00 11.32 N ATOM 612 CA LEU A 42 16.584 4.673 -0.316 1.00 72.13 C ATOM 613 C LEU A 42 17.272 4.089 0.913 1.00 23.20 C ATOM 614 O LEU A 42 16.620 3.524 1.791 1.00 4.51 O ATOM 615 CB LEU A 42 16.481 3.610 -1.411 1.00 65.42 C ATOM 616 CG LEU A 42 15.565 3.944 -2.588 1.00 54.22 C ATOM 617 CD1 LEU A 42 16.131 3.381 -3.883 1.00 14.14 C ATOM 618 CD2 LEU A 42 14.162 3.409 -2.340 1.00 53.33 C ATOM 0 H LEU A 42 17.870 5.665 -1.643 1.00 11.32 H new ATOM 0 HA LEU A 42 15.581 4.990 -0.031 1.00 72.13 H new ATOM 0 HB2 LEU A 42 17.482 3.419 -1.799 1.00 65.42 H new ATOM 0 HB3 LEU A 42 16.132 2.682 -0.957 1.00 65.42 H new ATOM 0 HG LEU A 42 15.508 5.028 -2.682 1.00 54.22 H new ATOM 0 HD11 LEU A 42 15.465 3.629 -4.709 1.00 14.14 H new ATOM 0 HD12 LEU A 42 17.115 3.812 -4.068 1.00 14.14 H new ATOM 0 HD13 LEU A 42 16.219 2.298 -3.801 1.00 14.14 H new ATOM 0 HD21 LEU A 42 13.523 3.656 -3.188 1.00 53.33 H new ATOM 0 HD22 LEU A 42 14.202 2.327 -2.219 1.00 53.33 H new ATOM 0 HD23 LEU A 42 13.755 3.861 -1.436 1.00 53.33 H new ATOM 630 N GLN A 43 18.593 4.231 0.969 1.00 73.43 N ATOM 631 CA GLN A 43 19.369 3.718 2.092 1.00 72.04 C ATOM 632 C GLN A 43 19.189 4.598 3.324 1.00 3.03 C ATOM 633 O GLN A 43 19.439 4.166 4.449 1.00 24.00 O ATOM 634 CB GLN A 43 20.850 3.636 1.720 1.00 44.51 C ATOM 635 CG GLN A 43 21.562 4.979 1.758 1.00 0.24 C ATOM 636 CD GLN A 43 22.483 5.117 2.954 1.00 3.34 C ATOM 637 OE1 GLN A 43 22.246 5.934 3.844 1.00 12.35 O ATOM 638 NE2 GLN A 43 23.543 4.317 2.982 1.00 74.04 N ATOM 0 H GLN A 43 19.147 4.697 0.250 1.00 73.43 H new ATOM 0 HA GLN A 43 19.005 2.718 2.327 1.00 72.04 H new ATOM 0 HB2 GLN A 43 21.350 2.949 2.403 1.00 44.51 H new ATOM 0 HB3 GLN A 43 20.942 3.214 0.719 1.00 44.51 H new ATOM 0 HG2 GLN A 43 22.140 5.106 0.843 1.00 0.24 H new ATOM 0 HG3 GLN A 43 20.821 5.778 1.780 1.00 0.24 H new ATOM 0 HE21 GLN A 43 23.702 3.654 2.223 1.00 74.04 H new ATOM 0 HE22 GLN A 43 24.198 4.366 3.762 1.00 74.04 H new ATOM 647 N ALA A 44 18.755 5.835 3.104 1.00 33.52 N ATOM 648 CA ALA A 44 18.540 6.775 4.197 1.00 23.32 C ATOM 649 C ALA A 44 17.210 6.511 4.895 1.00 41.52 C ATOM 650 O ALA A 44 16.996 6.944 6.028 1.00 72.15 O ATOM 651 CB ALA A 44 18.594 8.205 3.681 1.00 11.02 C ATOM 0 H ALA A 44 18.545 6.209 2.179 1.00 33.52 H new ATOM 0 HA ALA A 44 19.337 6.634 4.927 1.00 23.32 H new ATOM 0 HB1 ALA A 44 18.432 8.897 4.508 1.00 11.02 H new ATOM 0 HB2 ALA A 44 19.571 8.394 3.236 1.00 11.02 H new ATOM 0 HB3 ALA A 44 17.818 8.350 2.929 1.00 11.02 H new ATOM 657 N TYR A 45 16.320 5.801 4.212 1.00 73.15 N ATOM 658 CA TYR A 45 15.009 5.483 4.765 1.00 73.02 C ATOM 659 C TYR A 45 15.138 4.871 6.156 1.00 4.23 C ATOM 660 O TYR A 45 14.491 5.314 7.106 1.00 44.24 O ATOM 661 CB TYR A 45 14.261 4.521 3.840 1.00 24.40 C ATOM 662 CG TYR A 45 13.453 5.216 2.768 1.00 20.01 C ATOM 663 CD1 TYR A 45 13.953 6.332 2.107 1.00 30.55 C ATOM 664 CD2 TYR A 45 12.189 4.758 2.417 1.00 42.45 C ATOM 665 CE1 TYR A 45 13.218 6.971 1.128 1.00 72.41 C ATOM 666 CE2 TYR A 45 11.448 5.390 1.437 1.00 14.22 C ATOM 667 CZ TYR A 45 11.966 6.496 0.796 1.00 70.10 C ATOM 668 OH TYR A 45 11.230 7.129 -0.179 1.00 72.01 O ATOM 0 H TYR A 45 16.482 5.434 3.274 1.00 73.15 H new ATOM 0 HA TYR A 45 14.443 6.411 4.847 1.00 73.02 H new ATOM 0 HB2 TYR A 45 14.980 3.854 3.365 1.00 24.40 H new ATOM 0 HB3 TYR A 45 13.596 3.899 4.438 1.00 24.40 H new ATOM 0 HD1 TYR A 45 14.933 6.706 2.364 1.00 30.55 H new ATOM 0 HD2 TYR A 45 11.779 3.894 2.918 1.00 42.45 H new ATOM 0 HE1 TYR A 45 13.621 7.838 0.625 1.00 72.41 H new ATOM 0 HE2 TYR A 45 10.468 5.020 1.174 1.00 14.22 H new ATOM 0 HH TYR A 45 10.372 6.668 -0.292 1.00 72.01 H new ATOM 678 N LYS A 46 15.980 3.850 6.270 1.00 24.41 N ATOM 679 CA LYS A 46 16.199 3.176 7.545 1.00 71.14 C ATOM 680 C LYS A 46 14.892 2.610 8.092 1.00 4.52 C ATOM 681 O LYS A 46 14.630 2.679 9.292 1.00 14.21 O ATOM 682 CB LYS A 46 16.812 4.144 8.558 1.00 4.43 C ATOM 683 CG LYS A 46 18.207 4.616 8.182 1.00 34.34 C ATOM 684 CD LYS A 46 19.020 4.987 9.411 1.00 31.21 C ATOM 685 CE LYS A 46 20.299 4.169 9.500 1.00 4.33 C ATOM 686 NZ LYS A 46 21.449 4.867 8.861 1.00 2.10 N ATOM 0 H LYS A 46 16.523 3.470 5.494 1.00 24.41 H new ATOM 0 HA LYS A 46 16.890 2.350 7.377 1.00 71.14 H new ATOM 0 HB2 LYS A 46 16.159 5.011 8.660 1.00 4.43 H new ATOM 0 HB3 LYS A 46 16.852 3.659 9.533 1.00 4.43 H new ATOM 0 HG2 LYS A 46 18.721 3.830 7.628 1.00 34.34 H new ATOM 0 HG3 LYS A 46 18.134 5.478 7.519 1.00 34.34 H new ATOM 0 HD2 LYS A 46 19.267 6.048 9.379 1.00 31.21 H new ATOM 0 HD3 LYS A 46 18.421 4.826 10.307 1.00 31.21 H new ATOM 0 HE2 LYS A 46 20.531 3.970 10.546 1.00 4.33 H new ATOM 0 HE3 LYS A 46 20.147 3.203 9.018 1.00 4.33 H new ATOM 0 HZ1 LYS A 46 22.302 4.277 8.943 1.00 2.10 H new ATOM 0 HZ2 LYS A 46 21.239 5.035 7.856 1.00 2.10 H new ATOM 0 HZ3 LYS A 46 21.611 5.777 9.337 1.00 2.10 H new ATOM 700 N GLY A 47 14.077 2.050 7.204 1.00 12.01 N ATOM 701 CA GLY A 47 12.808 1.480 7.618 1.00 22.33 C ATOM 702 C GLY A 47 12.966 0.107 8.241 1.00 74.42 C ATOM 703 O GLY A 47 12.384 -0.869 7.766 1.00 34.24 O ATOM 0 H GLY A 47 14.273 1.981 6.205 1.00 12.01 H new ATOM 0 HA2 GLY A 47 12.329 2.148 8.334 1.00 22.33 H new ATOM 0 HA3 GLY A 47 12.146 1.410 6.755 1.00 22.33 H new ATOM 707 N LYS A 48 13.756 0.029 9.306 1.00 60.31 N ATOM 708 CA LYS A 48 13.990 -1.235 9.995 1.00 13.21 C ATOM 709 C LYS A 48 14.576 -2.273 9.044 1.00 72.22 C ATOM 710 O LYS A 48 14.293 -3.465 9.159 1.00 14.23 O ATOM 711 CB LYS A 48 12.685 -1.759 10.598 1.00 32.34 C ATOM 712 CG LYS A 48 12.185 -0.938 11.774 1.00 11.12 C ATOM 713 CD LYS A 48 10.912 -1.523 12.362 1.00 54.21 C ATOM 714 CE LYS A 48 11.207 -2.404 13.566 1.00 11.32 C ATOM 715 NZ LYS A 48 10.724 -1.790 14.834 1.00 0.21 N ATOM 0 H LYS A 48 14.246 0.827 9.711 1.00 60.31 H new ATOM 0 HA LYS A 48 14.708 -1.056 10.796 1.00 13.21 H new ATOM 0 HB2 LYS A 48 11.918 -1.774 9.824 1.00 32.34 H new ATOM 0 HB3 LYS A 48 12.832 -2.789 10.922 1.00 32.34 H new ATOM 0 HG2 LYS A 48 12.956 -0.896 12.543 1.00 11.12 H new ATOM 0 HG3 LYS A 48 12.000 0.087 11.451 1.00 11.12 H new ATOM 0 HD2 LYS A 48 10.242 -0.716 12.656 1.00 54.21 H new ATOM 0 HD3 LYS A 48 10.393 -2.107 11.601 1.00 54.21 H new ATOM 0 HE2 LYS A 48 10.733 -3.376 13.430 1.00 11.32 H new ATOM 0 HE3 LYS A 48 12.281 -2.579 13.633 1.00 11.32 H new ATOM 0 HZ1 LYS A 48 10.944 -2.421 15.631 1.00 0.21 H new ATOM 0 HZ2 LYS A 48 11.195 -0.874 14.978 1.00 0.21 H new ATOM 0 HZ3 LYS A 48 9.695 -1.646 14.780 1.00 0.21 H new ATOM 729 N GLY A 49 15.396 -1.812 8.104 1.00 72.40 N ATOM 730 CA GLY A 49 16.010 -2.715 7.148 1.00 54.04 C ATOM 731 C GLY A 49 14.991 -3.571 6.422 1.00 72.03 C ATOM 732 O GLY A 49 15.172 -4.780 6.283 1.00 44.33 O ATOM 0 H GLY A 49 15.646 -0.830 7.988 1.00 72.40 H new ATOM 0 HA2 GLY A 49 16.579 -2.137 6.420 1.00 54.04 H new ATOM 0 HA3 GLY A 49 16.719 -3.361 7.666 1.00 54.04 H new ATOM 736 N ASN A 50 13.915 -2.943 5.959 1.00 34.11 N ATOM 737 CA ASN A 50 12.861 -3.656 5.246 1.00 64.15 C ATOM 738 C ASN A 50 13.360 -4.150 3.891 1.00 42.22 C ATOM 739 O ASN A 50 14.353 -3.661 3.351 1.00 13.30 O ATOM 740 CB ASN A 50 11.643 -2.750 5.054 1.00 62.41 C ATOM 741 CG ASN A 50 10.551 -3.029 6.068 1.00 13.43 C ATOM 742 OD1 ASN A 50 9.373 -3.115 5.721 1.00 51.33 O ATOM 743 ND2 ASN A 50 10.938 -3.170 7.331 1.00 71.13 N ATOM 0 H ASN A 50 13.750 -1.942 6.065 1.00 34.11 H new ATOM 0 HA ASN A 50 12.572 -4.520 5.844 1.00 64.15 H new ATOM 0 HB2 ASN A 50 11.952 -1.708 5.134 1.00 62.41 H new ATOM 0 HB3 ASN A 50 11.246 -2.888 4.048 1.00 62.41 H new ATOM 0 HD21 ASN A 50 10.248 -3.357 8.058 1.00 71.13 H new ATOM 0 HD22 ASN A 50 11.926 -3.091 7.574 1.00 71.13 H new ATOM 750 N PRO A 51 12.656 -5.142 3.327 1.00 71.22 N ATOM 751 CA PRO A 51 13.007 -5.723 2.028 1.00 64.33 C ATOM 752 C PRO A 51 12.757 -4.758 0.874 1.00 31.01 C ATOM 753 O PRO A 51 13.362 -4.880 -0.191 1.00 13.55 O ATOM 754 CB PRO A 51 12.081 -6.937 1.920 1.00 63.31 C ATOM 755 CG PRO A 51 10.915 -6.602 2.785 1.00 63.35 C ATOM 756 CD PRO A 51 11.462 -5.773 3.914 1.00 72.23 C ATOM 0 HA PRO A 51 14.067 -5.971 1.966 1.00 64.33 H new ATOM 0 HB2 PRO A 51 11.772 -7.109 0.889 1.00 63.31 H new ATOM 0 HB3 PRO A 51 12.578 -7.846 2.260 1.00 63.31 H new ATOM 0 HG2 PRO A 51 10.160 -6.050 2.226 1.00 63.35 H new ATOM 0 HG3 PRO A 51 10.436 -7.506 3.161 1.00 63.35 H new ATOM 0 HD2 PRO A 51 10.740 -5.030 4.253 1.00 72.23 H new ATOM 0 HD3 PRO A 51 11.716 -6.388 4.778 1.00 72.23 H new ATOM 764 N GLU A 52 11.862 -3.800 1.094 1.00 50.21 N ATOM 765 CA GLU A 52 11.532 -2.814 0.071 1.00 23.30 C ATOM 766 C GLU A 52 12.782 -2.072 -0.392 1.00 44.21 C ATOM 767 O GLU A 52 12.911 -1.720 -1.565 1.00 34.11 O ATOM 768 CB GLU A 52 10.502 -1.817 0.605 1.00 21.13 C ATOM 769 CG GLU A 52 10.837 -1.276 1.985 1.00 45.21 C ATOM 770 CD GLU A 52 10.545 0.206 2.117 1.00 44.31 C ATOM 771 OE1 GLU A 52 9.364 0.565 2.301 1.00 34.42 O ATOM 772 OE2 GLU A 52 11.500 1.008 2.036 1.00 32.22 O ATOM 0 H GLU A 52 11.353 -3.686 1.970 1.00 50.21 H new ATOM 0 HA GLU A 52 11.107 -3.342 -0.782 1.00 23.30 H new ATOM 0 HB2 GLU A 52 10.420 -0.984 -0.093 1.00 21.13 H new ATOM 0 HB3 GLU A 52 9.526 -2.300 0.641 1.00 21.13 H new ATOM 0 HG2 GLU A 52 10.265 -1.823 2.734 1.00 45.21 H new ATOM 0 HG3 GLU A 52 11.891 -1.455 2.195 1.00 45.21 H new ATOM 779 N VAL A 53 13.702 -1.836 0.538 1.00 23.11 N ATOM 780 CA VAL A 53 14.943 -1.136 0.227 1.00 72.14 C ATOM 781 C VAL A 53 15.997 -2.098 -0.310 1.00 32.12 C ATOM 782 O VAL A 53 16.947 -1.685 -0.973 1.00 64.11 O ATOM 783 CB VAL A 53 15.506 -0.414 1.465 1.00 53.51 C ATOM 784 CG1 VAL A 53 16.683 0.469 1.079 1.00 21.11 C ATOM 785 CG2 VAL A 53 14.417 0.403 2.145 1.00 24.14 C ATOM 0 H VAL A 53 13.611 -2.119 1.514 1.00 23.11 H new ATOM 0 HA VAL A 53 14.706 -0.397 -0.538 1.00 72.14 H new ATOM 0 HB VAL A 53 15.862 -1.164 2.172 1.00 53.51 H new ATOM 0 HG11 VAL A 53 17.068 0.971 1.967 1.00 21.11 H new ATOM 0 HG12 VAL A 53 17.470 -0.145 0.640 1.00 21.11 H new ATOM 0 HG13 VAL A 53 16.356 1.214 0.354 1.00 21.11 H new ATOM 0 HG21 VAL A 53 14.832 0.907 3.018 1.00 24.14 H new ATOM 0 HG22 VAL A 53 14.030 1.146 1.447 1.00 24.14 H new ATOM 0 HG23 VAL A 53 13.608 -0.257 2.457 1.00 24.14 H new ATOM 795 N GLU A 54 15.821 -3.383 -0.018 1.00 74.02 N ATOM 796 CA GLU A 54 16.758 -4.404 -0.472 1.00 32.04 C ATOM 797 C GLU A 54 16.715 -4.546 -1.990 1.00 40.14 C ATOM 798 O GLU A 54 17.751 -4.536 -2.655 1.00 31.24 O ATOM 799 CB GLU A 54 16.440 -5.748 0.186 1.00 35.33 C ATOM 800 CG GLU A 54 16.597 -5.739 1.698 1.00 43.15 C ATOM 801 CD GLU A 54 18.044 -5.607 2.132 1.00 20.12 C ATOM 802 OE1 GLU A 54 18.853 -6.489 1.775 1.00 50.15 O ATOM 803 OE2 GLU A 54 18.367 -4.623 2.830 1.00 63.23 O ATOM 0 H GLU A 54 15.039 -3.741 0.530 1.00 74.02 H new ATOM 0 HA GLU A 54 17.762 -4.094 -0.182 1.00 32.04 H new ATOM 0 HB2 GLU A 54 15.417 -6.032 -0.063 1.00 35.33 H new ATOM 0 HB3 GLU A 54 17.094 -6.512 -0.234 1.00 35.33 H new ATOM 0 HG2 GLU A 54 16.020 -4.914 2.115 1.00 43.15 H new ATOM 0 HG3 GLU A 54 16.181 -6.659 2.109 1.00 43.15 H new ATOM 810 N ALA A 55 15.509 -4.678 -2.533 1.00 31.14 N ATOM 811 CA ALA A 55 15.330 -4.821 -3.972 1.00 50.52 C ATOM 812 C ALA A 55 15.773 -3.560 -4.708 1.00 35.22 C ATOM 813 O ALA A 55 16.500 -3.631 -5.699 1.00 5.41 O ATOM 814 CB ALA A 55 13.878 -5.140 -4.295 1.00 13.45 C ATOM 0 H ALA A 55 14.641 -4.689 -1.997 1.00 31.14 H new ATOM 0 HA ALA A 55 15.955 -5.647 -4.310 1.00 50.52 H new ATOM 0 HB1 ALA A 55 13.760 -5.244 -5.374 1.00 13.45 H new ATOM 0 HB2 ALA A 55 13.593 -6.072 -3.807 1.00 13.45 H new ATOM 0 HB3 ALA A 55 13.240 -4.333 -3.936 1.00 13.45 H new ATOM 820 N LEU A 56 15.328 -2.408 -4.218 1.00 25.14 N ATOM 821 CA LEU A 56 15.678 -1.131 -4.829 1.00 44.21 C ATOM 822 C LEU A 56 17.186 -0.903 -4.789 1.00 1.30 C ATOM 823 O LEU A 56 17.775 -0.407 -5.750 1.00 73.10 O ATOM 824 CB LEU A 56 14.959 0.014 -4.114 1.00 32.23 C ATOM 825 CG LEU A 56 13.464 0.153 -4.405 1.00 1.12 C ATOM 826 CD1 LEU A 56 12.729 0.680 -3.182 1.00 70.02 C ATOM 827 CD2 LEU A 56 13.237 1.066 -5.601 1.00 35.02 C ATOM 0 H LEU A 56 14.724 -2.332 -3.399 1.00 25.14 H new ATOM 0 HA LEU A 56 15.360 -1.157 -5.871 1.00 44.21 H new ATOM 0 HB2 LEU A 56 15.089 -0.116 -3.040 1.00 32.23 H new ATOM 0 HB3 LEU A 56 15.450 0.949 -4.383 1.00 32.23 H new ATOM 0 HG LEU A 56 13.066 -0.833 -4.645 1.00 1.12 H new ATOM 0 HD11 LEU A 56 11.667 0.772 -3.408 1.00 70.02 H new ATOM 0 HD12 LEU A 56 12.864 -0.011 -2.350 1.00 70.02 H new ATOM 0 HD13 LEU A 56 13.129 1.657 -2.910 1.00 70.02 H new ATOM 0 HD21 LEU A 56 12.168 1.154 -5.794 1.00 35.02 H new ATOM 0 HD22 LEU A 56 13.650 2.052 -5.389 1.00 35.02 H new ATOM 0 HD23 LEU A 56 13.731 0.647 -6.478 1.00 35.02 H new ATOM 839 N ARG A 57 17.805 -1.270 -3.672 1.00 3.43 N ATOM 840 CA ARG A 57 19.245 -1.106 -3.507 1.00 14.11 C ATOM 841 C ARG A 57 20.008 -2.003 -4.477 1.00 3.23 C ATOM 842 O ARG A 57 20.991 -1.581 -5.087 1.00 22.22 O ATOM 843 CB ARG A 57 19.654 -1.427 -2.068 1.00 43.23 C ATOM 844 CG ARG A 57 19.469 -0.263 -1.108 1.00 61.03 C ATOM 845 CD ARG A 57 20.365 0.910 -1.475 1.00 74.05 C ATOM 846 NE ARG A 57 21.754 0.501 -1.660 1.00 63.22 N ATOM 847 CZ ARG A 57 22.593 0.273 -0.656 1.00 31.44 C ATOM 848 NH1 ARG A 57 22.185 0.412 0.598 1.00 15.40 N ATOM 849 NH2 ARG A 57 23.843 -0.097 -0.904 1.00 51.11 N ATOM 0 H ARG A 57 17.333 -1.683 -2.868 1.00 3.43 H new ATOM 0 HA ARG A 57 19.496 -0.068 -3.726 1.00 14.11 H new ATOM 0 HB2 ARG A 57 19.069 -2.276 -1.714 1.00 43.23 H new ATOM 0 HB3 ARG A 57 20.700 -1.734 -2.056 1.00 43.23 H new ATOM 0 HG2 ARG A 57 18.427 0.057 -1.119 1.00 61.03 H new ATOM 0 HG3 ARG A 57 19.692 -0.589 -0.092 1.00 61.03 H new ATOM 0 HD2 ARG A 57 19.999 1.373 -2.391 1.00 74.05 H new ATOM 0 HD3 ARG A 57 20.311 1.666 -0.692 1.00 74.05 H new ATOM 0 HE ARG A 57 22.099 0.384 -2.613 1.00 63.22 H new ATOM 0 HH11 ARG A 57 21.225 0.695 0.793 1.00 15.40 H new ATOM 0 HH12 ARG A 57 22.832 0.236 1.367 1.00 15.40 H new ATOM 0 HH21 ARG A 57 24.161 -0.207 -1.867 1.00 51.11 H new ATOM 0 HH22 ARG A 57 24.486 -0.272 -0.132 1.00 51.11 H new ATOM 863 N LYS A 58 19.550 -3.242 -4.614 1.00 21.41 N ATOM 864 CA LYS A 58 20.188 -4.200 -5.509 1.00 43.14 C ATOM 865 C LYS A 58 20.126 -3.718 -6.955 1.00 54.12 C ATOM 866 O LYS A 58 21.156 -3.543 -7.605 1.00 54.52 O ATOM 867 CB LYS A 58 19.517 -5.569 -5.388 1.00 35.54 C ATOM 868 CG LYS A 58 20.471 -6.735 -5.585 1.00 12.34 C ATOM 869 CD LYS A 58 21.128 -7.145 -4.277 1.00 55.22 C ATOM 870 CE LYS A 58 22.023 -8.360 -4.461 1.00 21.44 C ATOM 871 NZ LYS A 58 21.605 -9.494 -3.589 1.00 45.53 N ATOM 0 H LYS A 58 18.738 -3.607 -4.116 1.00 21.41 H new ATOM 0 HA LYS A 58 21.235 -4.289 -5.218 1.00 43.14 H new ATOM 0 HB2 LYS A 58 19.054 -5.652 -4.405 1.00 35.54 H new ATOM 0 HB3 LYS A 58 18.716 -5.638 -6.124 1.00 35.54 H new ATOM 0 HG2 LYS A 58 19.929 -7.583 -6.003 1.00 12.34 H new ATOM 0 HG3 LYS A 58 21.239 -6.460 -6.308 1.00 12.34 H new ATOM 0 HD2 LYS A 58 21.716 -6.314 -3.888 1.00 55.22 H new ATOM 0 HD3 LYS A 58 20.360 -7.366 -3.536 1.00 55.22 H new ATOM 0 HE2 LYS A 58 21.997 -8.675 -5.504 1.00 21.44 H new ATOM 0 HE3 LYS A 58 23.054 -8.089 -4.235 1.00 21.44 H new ATOM 0 HZ1 LYS A 58 22.240 -10.303 -3.744 1.00 45.53 H new ATOM 0 HZ2 LYS A 58 21.654 -9.202 -2.592 1.00 45.53 H new ATOM 0 HZ3 LYS A 58 20.630 -9.770 -3.822 1.00 45.53 H new ATOM 885 N GLU A 59 18.911 -3.505 -7.451 1.00 53.41 N ATOM 886 CA GLU A 59 18.716 -3.042 -8.820 1.00 74.02 C ATOM 887 C GLU A 59 19.512 -1.767 -9.083 1.00 23.35 C ATOM 888 O GLU A 59 20.288 -1.693 -10.035 1.00 2.32 O ATOM 889 CB GLU A 59 17.230 -2.793 -9.091 1.00 64.11 C ATOM 890 CG GLU A 59 16.363 -4.027 -8.906 1.00 52.30 C ATOM 891 CD GLU A 59 15.840 -4.575 -10.220 1.00 1.23 C ATOM 892 OE1 GLU A 59 16.657 -5.069 -11.024 1.00 42.33 O ATOM 893 OE2 GLU A 59 14.613 -4.510 -10.443 1.00 11.24 O ATOM 0 H GLU A 59 18.048 -3.646 -6.926 1.00 53.41 H new ATOM 0 HA GLU A 59 19.076 -3.820 -9.493 1.00 74.02 H new ATOM 0 HB2 GLU A 59 16.875 -2.006 -8.425 1.00 64.11 H new ATOM 0 HB3 GLU A 59 17.112 -2.426 -10.110 1.00 64.11 H new ATOM 0 HG2 GLU A 59 16.941 -4.800 -8.399 1.00 52.30 H new ATOM 0 HG3 GLU A 59 15.521 -3.781 -8.258 1.00 52.30 H new ATOM 900 N ALA A 60 19.314 -0.767 -8.231 1.00 13.41 N ATOM 901 CA ALA A 60 20.014 0.504 -8.369 1.00 12.41 C ATOM 902 C ALA A 60 21.517 0.291 -8.512 1.00 32.50 C ATOM 903 O ALA A 60 22.142 0.808 -9.437 1.00 53.21 O ATOM 904 CB ALA A 60 19.718 1.402 -7.177 1.00 14.31 C ATOM 0 H ALA A 60 18.674 -0.812 -7.438 1.00 13.41 H new ATOM 0 HA ALA A 60 19.655 0.991 -9.275 1.00 12.41 H new ATOM 0 HB1 ALA A 60 20.247 2.348 -7.294 1.00 14.31 H new ATOM 0 HB2 ALA A 60 18.646 1.591 -7.121 1.00 14.31 H new ATOM 0 HB3 ALA A 60 20.048 0.912 -6.261 1.00 14.31 H new ATOM 910 N ALA A 61 22.091 -0.475 -7.590 1.00 3.22 N ATOM 911 CA ALA A 61 23.521 -0.758 -7.614 1.00 50.15 C ATOM 912 C ALA A 61 23.941 -1.345 -8.958 1.00 4.43 C ATOM 913 O ALA A 61 24.958 -0.949 -9.528 1.00 32.14 O ATOM 914 CB ALA A 61 23.891 -1.706 -6.483 1.00 51.23 C ATOM 0 H ALA A 61 21.588 -0.911 -6.817 1.00 3.22 H new ATOM 0 HA ALA A 61 24.055 0.182 -7.474 1.00 50.15 H new ATOM 0 HB1 ALA A 61 24.962 -1.908 -6.513 1.00 51.23 H new ATOM 0 HB2 ALA A 61 23.635 -1.249 -5.527 1.00 51.23 H new ATOM 0 HB3 ALA A 61 23.342 -2.641 -6.597 1.00 51.23 H new ATOM 920 N ALA A 62 23.153 -2.290 -9.458 1.00 20.52 N ATOM 921 CA ALA A 62 23.443 -2.931 -10.735 1.00 3.42 C ATOM 922 C ALA A 62 23.507 -1.905 -11.861 1.00 52.32 C ATOM 923 O ALA A 62 24.439 -1.909 -12.666 1.00 22.35 O ATOM 924 CB ALA A 62 22.397 -3.992 -11.043 1.00 43.30 C ATOM 0 H ALA A 62 22.308 -2.629 -8.998 1.00 20.52 H new ATOM 0 HA ALA A 62 24.419 -3.411 -10.660 1.00 3.42 H new ATOM 0 HB1 ALA A 62 22.626 -4.462 -11.999 1.00 43.30 H new ATOM 0 HB2 ALA A 62 22.402 -4.747 -10.257 1.00 43.30 H new ATOM 0 HB3 ALA A 62 21.412 -3.528 -11.094 1.00 43.30 H new ATOM 930 N ILE A 63 22.510 -1.028 -11.913 1.00 50.33 N ATOM 931 CA ILE A 63 22.454 0.004 -12.941 1.00 52.04 C ATOM 932 C ILE A 63 23.679 0.910 -12.879 1.00 61.40 C ATOM 933 O ILE A 63 24.272 1.240 -13.906 1.00 2.10 O ATOM 934 CB ILE A 63 21.185 0.866 -12.805 1.00 51.12 C ATOM 935 CG1 ILE A 63 19.936 -0.018 -12.826 1.00 64.24 C ATOM 936 CG2 ILE A 63 21.126 1.902 -13.918 1.00 61.31 C ATOM 937 CD1 ILE A 63 18.680 0.700 -12.387 1.00 32.35 C ATOM 0 H ILE A 63 21.730 -1.012 -11.256 1.00 50.33 H new ATOM 0 HA ILE A 63 22.434 -0.510 -13.902 1.00 52.04 H new ATOM 0 HB ILE A 63 21.220 1.389 -11.850 1.00 51.12 H new ATOM 0 HG12 ILE A 63 19.791 -0.403 -13.835 1.00 64.24 H new ATOM 0 HG13 ILE A 63 20.099 -0.878 -12.177 1.00 64.24 H new ATOM 0 HG21 ILE A 63 20.223 2.503 -13.808 1.00 61.31 H new ATOM 0 HG22 ILE A 63 22.002 2.548 -13.860 1.00 61.31 H new ATOM 0 HG23 ILE A 63 21.110 1.398 -14.884 1.00 61.31 H new ATOM 0 HD11 ILE A 63 17.835 0.013 -12.427 1.00 32.35 H new ATOM 0 HD12 ILE A 63 18.806 1.062 -11.367 1.00 32.35 H new ATOM 0 HD13 ILE A 63 18.493 1.544 -13.051 1.00 32.35 H new ATOM 949 N ARG A 64 24.054 1.306 -11.667 1.00 40.12 N ATOM 950 CA ARG A 64 25.210 2.173 -11.470 1.00 75.04 C ATOM 951 C ARG A 64 26.477 1.522 -12.017 1.00 53.45 C ATOM 952 O ARG A 64 27.254 2.157 -12.731 1.00 20.02 O ATOM 953 CB ARG A 64 25.388 2.492 -9.985 1.00 34.22 C ATOM 954 CG ARG A 64 26.700 3.189 -9.665 1.00 32.25 C ATOM 955 CD ARG A 64 27.643 2.275 -8.898 1.00 2.10 C ATOM 956 NE ARG A 64 27.264 2.151 -7.493 1.00 51.11 N ATOM 957 CZ ARG A 64 27.499 3.090 -6.583 1.00 32.52 C ATOM 958 NH1 ARG A 64 28.108 4.215 -6.928 1.00 43.24 N ATOM 959 NH2 ARG A 64 27.123 2.903 -5.324 1.00 3.21 N ATOM 0 H ARG A 64 23.574 1.040 -10.807 1.00 40.12 H new ATOM 0 HA ARG A 64 25.034 3.100 -12.015 1.00 75.04 H new ATOM 0 HB2 ARG A 64 24.562 3.122 -9.656 1.00 34.22 H new ATOM 0 HB3 ARG A 64 25.330 1.566 -9.414 1.00 34.22 H new ATOM 0 HG2 ARG A 64 27.177 3.512 -10.590 1.00 32.25 H new ATOM 0 HG3 ARG A 64 26.503 4.086 -9.078 1.00 32.25 H new ATOM 0 HD2 ARG A 64 27.647 1.288 -9.361 1.00 2.10 H new ATOM 0 HD3 ARG A 64 28.659 2.663 -8.966 1.00 2.10 H new ATOM 0 HE ARG A 64 26.793 1.297 -7.194 1.00 51.11 H new ATOM 0 HH11 ARG A 64 28.398 4.362 -7.895 1.00 43.24 H new ATOM 0 HH12 ARG A 64 28.287 4.934 -6.227 1.00 43.24 H new ATOM 0 HH21 ARG A 64 26.654 2.038 -5.055 1.00 3.21 H new ATOM 0 HH22 ARG A 64 27.303 3.624 -4.625 1.00 3.21 H new ATOM 973 N ASP A 65 26.678 0.254 -11.678 1.00 1.00 N ATOM 974 CA ASP A 65 27.850 -0.483 -12.135 1.00 64.02 C ATOM 975 C ASP A 65 27.904 -0.527 -13.659 1.00 61.51 C ATOM 976 O ASP A 65 28.960 -0.325 -14.258 1.00 73.12 O ATOM 977 CB ASP A 65 27.837 -1.905 -11.571 1.00 44.33 C ATOM 978 CG ASP A 65 27.723 -1.927 -10.060 1.00 3.02 C ATOM 979 OD1 ASP A 65 28.293 -1.026 -9.409 1.00 32.41 O ATOM 980 OD2 ASP A 65 27.065 -2.845 -9.528 1.00 22.55 O ATOM 0 H ASP A 65 26.044 -0.285 -11.088 1.00 1.00 H new ATOM 0 HA ASP A 65 28.738 0.035 -11.773 1.00 64.02 H new ATOM 0 HB2 ASP A 65 27.002 -2.457 -12.004 1.00 44.33 H new ATOM 0 HB3 ASP A 65 28.749 -2.420 -11.871 1.00 44.33 H new ATOM 985 N GLU A 66 26.759 -0.795 -14.279 1.00 52.41 N ATOM 986 CA GLU A 66 26.677 -0.867 -15.733 1.00 70.42 C ATOM 987 C GLU A 66 27.083 0.460 -16.368 1.00 71.41 C ATOM 988 O GLU A 66 27.880 0.493 -17.307 1.00 35.32 O ATOM 989 CB GLU A 66 25.258 -1.241 -16.168 1.00 43.33 C ATOM 990 CG GLU A 66 24.721 -2.489 -15.488 1.00 5.43 C ATOM 991 CD GLU A 66 24.528 -3.642 -16.453 1.00 23.22 C ATOM 992 OE1 GLU A 66 23.466 -3.698 -17.107 1.00 1.04 O ATOM 993 OE2 GLU A 66 25.441 -4.489 -16.554 1.00 34.21 O ATOM 0 H GLU A 66 25.876 -0.966 -13.797 1.00 52.41 H new ATOM 0 HA GLU A 66 27.368 -1.638 -16.072 1.00 70.42 H new ATOM 0 HB2 GLU A 66 24.590 -0.406 -15.956 1.00 43.33 H new ATOM 0 HB3 GLU A 66 25.246 -1.392 -17.247 1.00 43.33 H new ATOM 0 HG2 GLU A 66 25.408 -2.792 -14.698 1.00 5.43 H new ATOM 0 HG3 GLU A 66 23.769 -2.257 -15.010 1.00 5.43 H new ATOM 1000 N CYS A 67 26.529 1.550 -15.850 1.00 4.22 N ATOM 1001 CA CYS A 67 26.832 2.880 -16.366 1.00 50.42 C ATOM 1002 C CYS A 67 28.328 3.166 -16.290 1.00 63.44 C ATOM 1003 O CYS A 67 28.914 3.708 -17.227 1.00 1.01 O ATOM 1004 CB CYS A 67 26.058 3.942 -15.584 1.00 12.22 C ATOM 1005 SG CYS A 67 24.269 3.894 -15.845 1.00 23.32 S ATOM 0 H CYS A 67 25.868 1.539 -15.073 1.00 4.22 H new ATOM 0 HA CYS A 67 26.527 2.914 -17.412 1.00 50.42 H new ATOM 0 HB2 CYS A 67 26.263 3.816 -14.521 1.00 12.22 H new ATOM 0 HB3 CYS A 67 26.429 4.927 -15.865 1.00 12.22 H new ATOM 0 HG CYS A 67 23.760 2.900 -15.179 1.00 23.32 H new ATOM 1011 N GLN A 68 28.940 2.798 -15.169 1.00 35.30 N ATOM 1012 CA GLN A 68 30.367 3.017 -14.971 1.00 24.44 C ATOM 1013 C GLN A 68 31.189 2.127 -15.898 1.00 55.12 C ATOM 1014 O GLN A 68 32.289 2.493 -16.311 1.00 74.51 O ATOM 1015 CB GLN A 68 30.749 2.745 -13.514 1.00 70.14 C ATOM 1016 CG GLN A 68 30.132 3.726 -12.531 1.00 33.24 C ATOM 1017 CD GLN A 68 30.705 3.590 -11.134 1.00 35.44 C ATOM 1018 OE1 GLN A 68 31.700 2.896 -10.923 1.00 42.33 O ATOM 1019 NE2 GLN A 68 30.077 4.252 -10.169 1.00 42.40 N ATOM 0 H GLN A 68 28.470 2.347 -14.384 1.00 35.30 H new ATOM 0 HA GLN A 68 30.585 4.058 -15.209 1.00 24.44 H new ATOM 0 HB2 GLN A 68 30.440 1.734 -13.248 1.00 70.14 H new ATOM 0 HB3 GLN A 68 31.834 2.782 -13.419 1.00 70.14 H new ATOM 0 HG2 GLN A 68 30.294 4.743 -12.889 1.00 33.24 H new ATOM 0 HG3 GLN A 68 29.054 3.568 -12.494 1.00 33.24 H new ATOM 0 HE21 GLN A 68 29.256 4.816 -10.388 1.00 42.40 H new ATOM 0 HE22 GLN A 68 30.416 4.197 -9.209 1.00 42.40 H new ATOM 1028 N ALA A 69 30.646 0.957 -16.221 1.00 44.54 N ATOM 1029 CA ALA A 69 31.328 0.017 -17.101 1.00 62.44 C ATOM 1030 C ALA A 69 31.164 0.415 -18.564 1.00 50.21 C ATOM 1031 O ALA A 69 31.786 -0.170 -19.451 1.00 30.32 O ATOM 1032 CB ALA A 69 30.803 -1.393 -16.875 1.00 24.45 C ATOM 0 H ALA A 69 29.737 0.638 -15.886 1.00 44.54 H new ATOM 0 HA ALA A 69 32.391 0.041 -16.862 1.00 62.44 H new ATOM 0 HB1 ALA A 69 31.321 -2.085 -17.539 1.00 24.45 H new ATOM 0 HB2 ALA A 69 30.977 -1.685 -15.839 1.00 24.45 H new ATOM 0 HB3 ALA A 69 29.734 -1.421 -17.085 1.00 24.45 H new ATOM 1038 N TYR A 70 30.323 1.414 -18.809 1.00 72.43 N ATOM 1039 CA TYR A 70 30.075 1.888 -20.165 1.00 54.34 C ATOM 1040 C TYR A 70 30.892 3.142 -20.462 1.00 13.00 C ATOM 1041 O TYR A 70 31.394 3.321 -21.572 1.00 10.14 O ATOM 1042 CB TYR A 70 28.586 2.178 -20.362 1.00 54.12 C ATOM 1043 CG TYR A 70 27.703 0.963 -20.183 1.00 4.35 C ATOM 1044 CD1 TYR A 70 28.159 -0.306 -20.516 1.00 65.12 C ATOM 1045 CD2 TYR A 70 26.414 1.085 -19.680 1.00 72.12 C ATOM 1046 CE1 TYR A 70 27.357 -1.419 -20.354 1.00 51.14 C ATOM 1047 CE2 TYR A 70 25.605 -0.022 -19.514 1.00 32.44 C ATOM 1048 CZ TYR A 70 26.081 -1.272 -19.852 1.00 54.13 C ATOM 1049 OH TYR A 70 25.277 -2.377 -19.689 1.00 63.23 O ATOM 0 H TYR A 70 29.802 1.911 -18.086 1.00 72.43 H new ATOM 0 HA TYR A 70 30.381 1.104 -20.858 1.00 54.34 H new ATOM 0 HB2 TYR A 70 28.278 2.948 -19.655 1.00 54.12 H new ATOM 0 HB3 TYR A 70 28.433 2.584 -21.362 1.00 54.12 H new ATOM 0 HD1 TYR A 70 29.158 -0.425 -20.908 1.00 65.12 H new ATOM 0 HD2 TYR A 70 26.038 2.062 -19.414 1.00 72.12 H new ATOM 0 HE1 TYR A 70 27.727 -2.398 -20.619 1.00 51.14 H new ATOM 0 HE2 TYR A 70 24.605 0.090 -19.122 1.00 32.44 H new ATOM 0 HH TYR A 70 24.411 -2.100 -19.324 1.00 63.23 H new ATOM 1059 N ARG A 71 31.021 4.007 -19.461 1.00 74.31 N ATOM 1060 CA ARG A 71 31.776 5.244 -19.613 1.00 50.42 C ATOM 1061 C ARG A 71 32.676 5.484 -18.404 1.00 52.34 C ATOM 1062 O ARG A 71 32.743 6.596 -17.878 1.00 61.50 O ATOM 1063 CB ARG A 71 30.825 6.428 -19.797 1.00 55.20 C ATOM 1064 CG ARG A 71 31.468 7.627 -20.475 1.00 33.11 C ATOM 1065 CD ARG A 71 31.405 8.865 -19.594 1.00 70.02 C ATOM 1066 NE ARG A 71 32.214 9.957 -20.127 1.00 45.52 N ATOM 1067 CZ ARG A 71 32.046 11.230 -19.787 1.00 5.41 C ATOM 1068 NH1 ARG A 71 31.103 11.569 -18.919 1.00 4.04 N ATOM 1069 NH2 ARG A 71 32.823 12.168 -20.315 1.00 61.21 N ATOM 0 H ARG A 71 30.612 3.873 -18.536 1.00 74.31 H new ATOM 0 HA ARG A 71 32.404 5.150 -20.499 1.00 50.42 H new ATOM 0 HB2 ARG A 71 29.967 6.105 -20.386 1.00 55.20 H new ATOM 0 HB3 ARG A 71 30.446 6.733 -18.822 1.00 55.20 H new ATOM 0 HG2 ARG A 71 32.508 7.399 -20.710 1.00 33.11 H new ATOM 0 HG3 ARG A 71 30.963 7.826 -21.420 1.00 33.11 H new ATOM 0 HD2 ARG A 71 30.369 9.192 -19.502 1.00 70.02 H new ATOM 0 HD3 ARG A 71 31.750 8.614 -18.591 1.00 70.02 H new ATOM 0 HE ARG A 71 32.949 9.730 -20.797 1.00 45.52 H new ATOM 0 HH11 ARG A 71 30.504 10.851 -18.510 1.00 4.04 H new ATOM 0 HH12 ARG A 71 30.976 12.547 -18.660 1.00 4.04 H new ATOM 0 HH21 ARG A 71 33.550 11.912 -20.983 1.00 61.21 H new ATOM 0 HH22 ARG A 71 32.693 13.145 -20.053 1.00 61.21 H new ATOM 1083 N HIS A 72 33.365 4.435 -17.969 1.00 25.40 N ATOM 1084 CA HIS A 72 34.262 4.531 -16.822 1.00 54.01 C ATOM 1085 C HIS A 72 34.945 3.194 -16.553 1.00 20.22 C ATOM 1086 O HIS A 72 35.203 2.838 -15.404 1.00 2.33 O ATOM 1087 CB HIS A 72 33.490 4.982 -15.582 1.00 33.55 C ATOM 1088 CG HIS A 72 34.166 6.081 -14.822 1.00 21.33 C ATOM 1089 ND1 HIS A 72 34.410 7.327 -15.358 1.00 53.34 N ATOM 1090 CD2 HIS A 72 34.650 6.116 -13.558 1.00 34.11 C ATOM 1091 CE1 HIS A 72 35.015 8.081 -14.458 1.00 44.14 C ATOM 1092 NE2 HIS A 72 35.172 7.370 -13.357 1.00 23.34 N ATOM 0 H HIS A 72 33.320 3.508 -18.393 1.00 25.40 H new ATOM 0 HA HIS A 72 35.029 5.270 -17.052 1.00 54.01 H new ATOM 0 HB2 HIS A 72 32.498 5.317 -15.884 1.00 33.55 H new ATOM 0 HB3 HIS A 72 33.350 4.127 -14.921 1.00 33.55 H new ATOM 0 HD1 HIS A 72 34.162 7.621 -16.303 1.00 53.34 H new ATOM 0 HD2 HIS A 72 34.629 5.308 -12.841 1.00 34.11 H new ATOM 0 HE1 HIS A 72 35.328 9.105 -14.599 1.00 44.14 H new ATOM 1100 N ASN A 73 35.234 2.457 -17.620 1.00 64.14 N ATOM 1101 CA ASN A 73 35.887 1.158 -17.499 1.00 14.23 C ATOM 1102 C ASN A 73 36.882 0.941 -18.635 1.00 33.44 C ATOM 1103 O ASN A 73 38.056 1.290 -18.519 1.00 21.20 O ATOM 1104 CB ASN A 73 34.844 0.039 -17.498 1.00 32.41 C ATOM 1105 CG ASN A 73 35.457 -1.323 -17.761 1.00 62.13 C ATOM 1106 OD1 ASN A 73 36.018 -1.948 -16.861 1.00 61.12 O ATOM 1107 ND2 ASN A 73 35.353 -1.789 -19.000 1.00 70.05 N ATOM 0 H ASN A 73 35.026 2.737 -18.579 1.00 64.14 H new ATOM 0 HA ASN A 73 36.432 1.139 -16.555 1.00 14.23 H new ATOM 0 HB2 ASN A 73 34.332 0.024 -16.536 1.00 32.41 H new ATOM 0 HB3 ASN A 73 34.090 0.248 -18.257 1.00 32.41 H new ATOM 0 HD21 ASN A 73 35.747 -2.700 -19.237 1.00 70.05 H new ATOM 0 HD22 ASN A 73 34.879 -1.236 -19.715 1.00 70.05 H new TER 1114 ASN A 73