USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.981 K(o=-0.98,f=-5.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 0.616 (180deg=0.226) USER MOD Single : A 18 THR OG1 : rot -124:sc= 0.242 USER MOD Single : A 22 SER OG : rot 65:sc= 0.584 USER MOD Single : A 36 MET CE :methyl -136:sc= 0 (180deg=-0.0865) USER MOD Single : A 41 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.6!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 50 THR OG1 : rot -42:sc= 0.555 USER MOD Single : A 51 ASN : amide:sc= -0.0104 K(o=-0.01,f=-6.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= -0.135 (180deg=-0.951) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -130:sc= 1.12 USER MOD Single : A 69 SER OG : rot 10:sc= 0.477 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.606 -28.736 -9.036 1.00 21.12 N ATOM 2 CA MET A 1 34.222 -29.057 -10.339 1.00 22.15 C ATOM 3 C MET A 1 33.806 -27.991 -11.336 1.00 22.43 C ATOM 4 O MET A 1 34.525 -27.015 -11.509 1.00 23.38 O ATOM 5 CB MET A 1 33.865 -30.464 -10.840 1.00 22.36 C ATOM 6 CG MET A 1 34.680 -31.549 -10.136 1.00 22.65 C ATOM 7 SD MET A 1 34.327 -33.204 -10.780 1.00 22.88 S ATOM 8 CE MET A 1 35.614 -34.159 -9.934 1.00 23.47 C ATOM 0 H1 MET A 1 33.879 -29.456 -8.336 1.00 21.12 H new ATOM 0 H2 MET A 1 33.934 -27.802 -8.718 1.00 21.12 H new ATOM 0 H3 MET A 1 32.571 -28.724 -9.135 1.00 21.12 H new ATOM 0 HA MET A 1 35.306 -29.061 -10.221 1.00 22.15 H new ATOM 0 HB2 MET A 1 32.803 -30.647 -10.679 1.00 22.36 H new ATOM 0 HB3 MET A 1 34.039 -30.521 -11.915 1.00 22.36 H new ATOM 0 HG2 MET A 1 35.742 -31.335 -10.253 1.00 22.65 H new ATOM 0 HG3 MET A 1 34.466 -31.525 -9.067 1.00 22.65 H new ATOM 0 HE1 MET A 1 35.537 -35.208 -10.222 1.00 23.47 H new ATOM 0 HE2 MET A 1 36.595 -33.776 -10.215 1.00 23.47 H new ATOM 0 HE3 MET A 1 35.485 -34.068 -8.856 1.00 23.47 H new ATOM 20 N LYS A 2 32.625 -28.126 -11.941 1.00 21.73 N ATOM 21 CA LYS A 2 31.973 -26.994 -12.564 1.00 21.85 C ATOM 22 C LYS A 2 31.333 -26.181 -11.446 1.00 20.47 C ATOM 23 O LYS A 2 31.370 -26.584 -10.281 1.00 19.77 O ATOM 24 CB LYS A 2 30.925 -27.484 -13.579 1.00 22.21 C ATOM 25 CG LYS A 2 31.571 -28.025 -14.862 1.00 23.46 C ATOM 26 CD LYS A 2 31.665 -26.965 -15.971 1.00 24.67 C ATOM 27 CE LYS A 2 32.515 -25.758 -15.561 1.00 25.44 C ATOM 28 NZ LYS A 2 32.601 -24.752 -16.642 1.00 26.54 N ATOM 0 H LYS A 2 32.111 -29.004 -12.008 1.00 21.73 H new ATOM 0 HA LYS A 2 32.682 -26.376 -13.114 1.00 21.85 H new ATOM 0 HB2 LYS A 2 30.317 -28.265 -13.123 1.00 22.21 H new ATOM 0 HB3 LYS A 2 30.253 -26.663 -13.830 1.00 22.21 H new ATOM 0 HG2 LYS A 2 32.570 -28.395 -14.633 1.00 23.46 H new ATOM 0 HG3 LYS A 2 30.992 -28.874 -15.225 1.00 23.46 H new ATOM 0 HD2 LYS A 2 32.091 -27.418 -16.866 1.00 24.67 H new ATOM 0 HD3 LYS A 2 30.662 -26.627 -16.231 1.00 24.67 H new ATOM 0 HE2 LYS A 2 32.087 -25.298 -14.670 1.00 25.44 H new ATOM 0 HE3 LYS A 2 33.518 -26.093 -15.296 1.00 25.44 H new ATOM 0 HZ1 LYS A 2 33.184 -23.951 -16.325 1.00 26.54 H new ATOM 0 HZ2 LYS A 2 33.033 -25.183 -17.484 1.00 26.54 H new ATOM 0 HZ3 LYS A 2 31.646 -24.413 -16.878 1.00 26.54 H new ATOM 42 N GLN A 3 30.766 -25.047 -11.838 1.00 20.23 N ATOM 43 CA GLN A 3 30.038 -24.101 -11.024 1.00 19.07 C ATOM 44 C GLN A 3 29.097 -23.415 -11.988 1.00 18.92 C ATOM 45 O GLN A 3 29.486 -23.150 -13.126 1.00 20.07 O ATOM 46 CB GLN A 3 31.041 -23.134 -10.382 1.00 19.54 C ATOM 47 CG GLN A 3 30.407 -21.927 -9.668 1.00 18.99 C ATOM 48 CD GLN A 3 29.585 -22.303 -8.436 1.00 18.01 C ATOM 49 OE1 GLN A 3 29.091 -23.415 -8.315 1.00 17.64 O ATOM 50 NE2 GLN A 3 29.417 -21.379 -7.499 1.00 17.84 N ATOM 0 H GLN A 3 30.811 -24.748 -12.812 1.00 20.23 H new ATOM 0 HA GLN A 3 29.477 -24.551 -10.204 1.00 19.07 H new ATOM 0 HB2 GLN A 3 31.648 -23.686 -9.664 1.00 19.54 H new ATOM 0 HB3 GLN A 3 31.717 -22.767 -11.155 1.00 19.54 H new ATOM 0 HG2 GLN A 3 31.196 -21.237 -9.370 1.00 18.99 H new ATOM 0 HG3 GLN A 3 29.767 -21.395 -10.372 1.00 18.99 H new ATOM 0 HE21 GLN A 3 29.835 -20.455 -7.613 1.00 17.84 H new ATOM 0 HE22 GLN A 3 28.870 -21.592 -6.665 1.00 17.84 H new ATOM 59 N ASP A 4 27.868 -23.174 -11.546 1.00 17.64 N ATOM 60 CA ASP A 4 26.876 -22.520 -12.368 1.00 17.38 C ATOM 61 C ASP A 4 26.153 -21.540 -11.459 1.00 16.28 C ATOM 62 O ASP A 4 25.533 -21.934 -10.473 1.00 15.39 O ATOM 63 CB ASP A 4 25.939 -23.547 -13.013 1.00 17.24 C ATOM 64 CG ASP A 4 25.252 -22.972 -14.251 1.00 17.94 C ATOM 65 OD1 ASP A 4 25.606 -21.831 -14.626 1.00 18.97 O ATOM 66 OD2 ASP A 4 24.440 -23.714 -14.844 1.00 17.74 O ATOM 0 H ASP A 4 27.540 -23.427 -10.614 1.00 17.64 H new ATOM 0 HA ASP A 4 27.325 -21.984 -13.204 1.00 17.38 H new ATOM 0 HB2 ASP A 4 26.506 -24.436 -13.289 1.00 17.24 H new ATOM 0 HB3 ASP A 4 25.186 -23.860 -12.290 1.00 17.24 H new ATOM 71 N GLY A 5 26.364 -20.257 -11.719 1.00 16.54 N ATOM 72 CA GLY A 5 25.796 -19.165 -10.950 1.00 15.71 C ATOM 73 C GLY A 5 24.379 -18.857 -11.419 1.00 15.11 C ATOM 74 O GLY A 5 23.962 -19.264 -12.499 1.00 15.65 O ATOM 0 H GLY A 5 26.951 -19.942 -12.491 1.00 16.54 H new ATOM 0 HA2 GLY A 5 25.786 -19.426 -9.892 1.00 15.71 H new ATOM 0 HA3 GLY A 5 26.420 -18.277 -11.054 1.00 15.71 H new ATOM 78 N GLU A 6 23.638 -18.108 -10.608 1.00 14.13 N ATOM 79 CA GLU A 6 22.249 -17.774 -10.879 1.00 13.46 C ATOM 80 C GLU A 6 21.969 -16.381 -10.302 1.00 12.87 C ATOM 81 O GLU A 6 22.893 -15.705 -9.846 1.00 13.24 O ATOM 82 CB GLU A 6 21.339 -18.864 -10.281 1.00 12.83 C ATOM 83 CG GLU A 6 20.173 -19.186 -11.226 1.00 13.19 C ATOM 84 CD GLU A 6 19.275 -20.296 -10.671 1.00 12.89 C ATOM 85 OE1 GLU A 6 18.828 -20.148 -9.513 1.00 12.42 O ATOM 86 OE2 GLU A 6 19.029 -21.269 -11.417 1.00 13.42 O ATOM 0 H GLU A 6 23.991 -17.713 -9.736 1.00 14.13 H new ATOM 0 HA GLU A 6 22.044 -17.742 -11.949 1.00 13.46 H new ATOM 0 HB2 GLU A 6 21.921 -19.767 -10.095 1.00 12.83 H new ATOM 0 HB3 GLU A 6 20.951 -18.531 -9.319 1.00 12.83 H new ATOM 0 HG2 GLU A 6 19.579 -18.287 -11.389 1.00 13.19 H new ATOM 0 HG3 GLU A 6 20.566 -19.489 -12.197 1.00 13.19 H new ATOM 93 N GLU A 7 20.713 -15.937 -10.343 1.00 12.10 N ATOM 94 CA GLU A 7 20.299 -14.639 -9.827 1.00 11.54 C ATOM 95 C GLU A 7 19.892 -14.772 -8.351 1.00 10.48 C ATOM 96 O GLU A 7 20.252 -15.741 -7.683 1.00 10.56 O ATOM 97 CB GLU A 7 19.162 -14.091 -10.708 1.00 11.19 C ATOM 98 CG GLU A 7 19.659 -13.785 -12.128 1.00 12.53 C ATOM 99 CD GLU A 7 18.563 -13.179 -13.010 1.00 12.95 C ATOM 100 OE1 GLU A 7 18.529 -13.535 -14.209 1.00 13.93 O ATOM 101 OE2 GLU A 7 17.788 -12.350 -12.483 1.00 12.61 O ATOM 0 H GLU A 7 19.946 -16.479 -10.742 1.00 12.10 H new ATOM 0 HA GLU A 7 21.123 -13.927 -9.866 1.00 11.54 H new ATOM 0 HB2 GLU A 7 18.350 -14.817 -10.752 1.00 11.19 H new ATOM 0 HB3 GLU A 7 18.755 -13.185 -10.259 1.00 11.19 H new ATOM 0 HG2 GLU A 7 20.502 -13.096 -12.075 1.00 12.53 H new ATOM 0 HG3 GLU A 7 20.026 -14.703 -12.588 1.00 12.53 H new ATOM 108 N GLY A 8 19.164 -13.788 -7.813 1.00 9.83 N ATOM 109 CA GLY A 8 18.640 -13.856 -6.458 1.00 9.21 C ATOM 110 C GLY A 8 17.370 -14.704 -6.411 1.00 7.28 C ATOM 111 O GLY A 8 17.002 -15.357 -7.385 1.00 6.83 O ATOM 0 H GLY A 8 18.926 -12.928 -8.308 1.00 9.83 H new ATOM 0 HA2 GLY A 8 19.392 -14.281 -5.793 1.00 9.21 H new ATOM 0 HA3 GLY A 8 18.426 -12.851 -6.095 1.00 9.21 H new ATOM 115 N THR A 9 16.686 -14.698 -5.270 1.00 6.65 N ATOM 116 CA THR A 9 15.472 -15.473 -5.075 1.00 5.56 C ATOM 117 C THR A 9 14.606 -14.766 -4.030 1.00 5.54 C ATOM 118 O THR A 9 14.991 -13.701 -3.545 1.00 6.10 O ATOM 119 CB THR A 9 15.852 -16.912 -4.693 1.00 6.63 C ATOM 120 OG1 THR A 9 14.712 -17.746 -4.693 1.00 6.67 O ATOM 121 CG2 THR A 9 16.525 -16.987 -3.319 1.00 8.46 C ATOM 0 H THR A 9 16.962 -14.152 -4.454 1.00 6.65 H new ATOM 0 HA THR A 9 14.880 -15.540 -5.988 1.00 5.56 H new ATOM 0 HB THR A 9 16.564 -17.256 -5.443 1.00 6.63 H new ATOM 0 HG1 THR A 9 14.974 -18.658 -4.449 1.00 6.67 H new ATOM 0 HG21 THR A 9 16.775 -18.023 -3.092 1.00 8.46 H new ATOM 0 HG22 THR A 9 17.435 -16.387 -3.326 1.00 8.46 H new ATOM 0 HG23 THR A 9 15.844 -16.604 -2.559 1.00 8.46 H new ATOM 129 N GLU A 10 13.473 -15.380 -3.681 1.00 5.64 N ATOM 130 CA GLU A 10 12.434 -14.850 -2.805 1.00 6.19 C ATOM 131 C GLU A 10 11.613 -13.776 -3.529 1.00 4.40 C ATOM 132 O GLU A 10 11.975 -13.317 -4.611 1.00 3.97 O ATOM 133 CB GLU A 10 13.022 -14.401 -1.453 1.00 8.46 C ATOM 134 CG GLU A 10 11.965 -14.315 -0.345 1.00 9.87 C ATOM 135 CD GLU A 10 12.614 -14.141 1.028 1.00 12.08 C ATOM 136 OE1 GLU A 10 12.660 -12.983 1.502 1.00 12.95 O ATOM 137 OE2 GLU A 10 13.052 -15.171 1.588 1.00 13.09 O ATOM 0 H GLU A 10 13.246 -16.314 -4.024 1.00 5.64 H new ATOM 0 HA GLU A 10 11.729 -15.644 -2.558 1.00 6.19 H new ATOM 0 HB2 GLU A 10 13.802 -15.100 -1.151 1.00 8.46 H new ATOM 0 HB3 GLU A 10 13.496 -13.427 -1.573 1.00 8.46 H new ATOM 0 HG2 GLU A 10 11.295 -13.478 -0.542 1.00 9.87 H new ATOM 0 HG3 GLU A 10 11.355 -15.219 -0.350 1.00 9.87 H new ATOM 144 N GLU A 11 10.456 -13.428 -2.968 1.00 4.19 N ATOM 145 CA GLU A 11 9.516 -12.507 -3.583 1.00 2.65 C ATOM 146 C GLU A 11 10.107 -11.096 -3.603 1.00 2.89 C ATOM 147 O GLU A 11 10.778 -10.694 -2.650 1.00 3.80 O ATOM 148 CB GLU A 11 8.217 -12.522 -2.759 1.00 3.11 C ATOM 149 CG GLU A 11 7.000 -12.127 -3.597 1.00 3.61 C ATOM 150 CD GLU A 11 6.489 -13.301 -4.438 1.00 4.99 C ATOM 151 OE1 GLU A 11 7.346 -14.008 -5.012 1.00 5.28 O ATOM 152 OE2 GLU A 11 5.253 -13.477 -4.483 1.00 6.59 O ATOM 0 H GLU A 11 10.146 -13.784 -2.064 1.00 4.19 H new ATOM 0 HA GLU A 11 9.311 -12.809 -4.610 1.00 2.65 H new ATOM 0 HB2 GLU A 11 8.063 -13.518 -2.344 1.00 3.11 H new ATOM 0 HB3 GLU A 11 8.314 -11.837 -1.917 1.00 3.11 H new ATOM 0 HG2 GLU A 11 6.204 -11.775 -2.940 1.00 3.61 H new ATOM 0 HG3 GLU A 11 7.263 -11.297 -4.252 1.00 3.61 H new ATOM 159 N ASP A 12 9.805 -10.288 -4.623 1.00 2.34 N ATOM 160 CA ASP A 12 10.214 -8.896 -4.640 1.00 2.57 C ATOM 161 C ASP A 12 9.120 -8.044 -5.261 1.00 2.12 C ATOM 162 O ASP A 12 8.572 -8.420 -6.289 1.00 2.35 O ATOM 163 CB ASP A 12 11.543 -8.675 -5.364 1.00 3.43 C ATOM 164 CG ASP A 12 11.961 -7.220 -5.154 1.00 3.75 C ATOM 165 OD1 ASP A 12 11.504 -6.644 -4.132 1.00 4.44 O ATOM 166 OD2 ASP A 12 12.674 -6.675 -6.020 1.00 3.88 O ATOM 0 H ASP A 12 9.278 -10.582 -5.445 1.00 2.34 H new ATOM 0 HA ASP A 12 10.372 -8.594 -3.605 1.00 2.57 H new ATOM 0 HB2 ASP A 12 12.305 -9.350 -4.975 1.00 3.43 H new ATOM 0 HB3 ASP A 12 11.438 -8.891 -6.427 1.00 3.43 H new ATOM 171 N THR A 13 8.801 -6.921 -4.607 1.00 1.83 N ATOM 172 CA THR A 13 7.829 -5.912 -5.015 1.00 1.62 C ATOM 173 C THR A 13 6.594 -6.523 -5.694 1.00 1.61 C ATOM 174 O THR A 13 6.091 -6.002 -6.684 1.00 2.13 O ATOM 175 CB THR A 13 8.570 -4.852 -5.848 1.00 2.23 C ATOM 176 OG1 THR A 13 9.752 -4.483 -5.155 1.00 2.99 O ATOM 177 CG2 THR A 13 7.768 -3.556 -6.016 1.00 2.38 C ATOM 0 H THR A 13 9.247 -6.682 -3.721 1.00 1.83 H new ATOM 0 HA THR A 13 7.403 -5.416 -4.143 1.00 1.62 H new ATOM 0 HB THR A 13 8.753 -5.295 -6.827 1.00 2.23 H new ATOM 0 HG1 THR A 13 10.238 -3.808 -5.674 1.00 2.99 H new ATOM 0 HG21 THR A 13 8.343 -2.847 -6.612 1.00 2.38 H new ATOM 0 HG22 THR A 13 6.826 -3.774 -6.519 1.00 2.38 H new ATOM 0 HG23 THR A 13 7.565 -3.124 -5.036 1.00 2.38 H new ATOM 185 N GLU A 14 6.073 -7.608 -5.112 1.00 1.21 N ATOM 186 CA GLU A 14 4.943 -8.348 -5.652 1.00 1.20 C ATOM 187 C GLU A 14 3.787 -8.183 -4.671 1.00 1.10 C ATOM 188 O GLU A 14 2.793 -7.535 -4.985 1.00 1.34 O ATOM 189 CB GLU A 14 5.344 -9.818 -5.864 1.00 1.14 C ATOM 190 CG GLU A 14 4.465 -10.541 -6.891 1.00 1.17 C ATOM 191 CD GLU A 14 4.741 -10.065 -8.321 1.00 2.12 C ATOM 192 OE1 GLU A 14 4.104 -9.065 -8.721 1.00 3.12 O ATOM 193 OE2 GLU A 14 5.571 -10.710 -9.001 1.00 3.11 O ATOM 0 H GLU A 14 6.434 -7.997 -4.241 1.00 1.21 H new ATOM 0 HA GLU A 14 4.632 -7.972 -6.627 1.00 1.20 H new ATOM 0 HB2 GLU A 14 6.383 -9.861 -6.190 1.00 1.14 H new ATOM 0 HB3 GLU A 14 5.287 -10.345 -4.911 1.00 1.14 H new ATOM 0 HG2 GLU A 14 4.641 -11.615 -6.826 1.00 1.17 H new ATOM 0 HG3 GLU A 14 3.415 -10.375 -6.650 1.00 1.17 H new ATOM 200 N GLU A 15 3.930 -8.693 -3.442 1.00 0.89 N ATOM 201 CA GLU A 15 2.893 -8.545 -2.429 1.00 0.86 C ATOM 202 C GLU A 15 3.542 -8.370 -1.053 1.00 0.67 C ATOM 203 O GLU A 15 3.414 -9.197 -0.150 1.00 0.64 O ATOM 204 CB GLU A 15 1.924 -9.731 -2.500 1.00 0.95 C ATOM 205 CG GLU A 15 0.603 -9.317 -1.848 1.00 2.00 C ATOM 206 CD GLU A 15 -0.349 -10.500 -1.718 1.00 2.48 C ATOM 207 OE1 GLU A 15 -1.353 -10.518 -2.466 1.00 3.05 O ATOM 208 OE2 GLU A 15 -0.063 -11.353 -0.850 1.00 3.28 O ATOM 0 H GLU A 15 4.753 -9.209 -3.131 1.00 0.89 H new ATOM 0 HA GLU A 15 2.300 -7.649 -2.614 1.00 0.86 H new ATOM 0 HB2 GLU A 15 1.759 -10.024 -3.537 1.00 0.95 H new ATOM 0 HB3 GLU A 15 2.345 -10.596 -1.987 1.00 0.95 H new ATOM 0 HG2 GLU A 15 0.799 -8.896 -0.862 1.00 2.00 H new ATOM 0 HG3 GLU A 15 0.133 -8.533 -2.442 1.00 2.00 H new ATOM 215 N LYS A 16 4.268 -7.261 -0.892 1.00 0.65 N ATOM 216 CA LYS A 16 5.006 -6.975 0.335 1.00 0.53 C ATOM 217 C LYS A 16 4.586 -5.603 0.852 1.00 0.52 C ATOM 218 O LYS A 16 4.701 -4.607 0.141 1.00 0.60 O ATOM 219 CB LYS A 16 6.519 -7.079 0.089 1.00 0.68 C ATOM 220 CG LYS A 16 6.896 -8.470 -0.448 1.00 0.80 C ATOM 221 CD LYS A 16 8.385 -8.808 -0.273 1.00 1.13 C ATOM 222 CE LYS A 16 9.216 -8.028 -1.286 1.00 1.40 C ATOM 223 NZ LYS A 16 10.667 -8.310 -1.174 1.00 1.86 N ATOM 0 H LYS A 16 4.359 -6.540 -1.608 1.00 0.65 H new ATOM 0 HA LYS A 16 4.770 -7.712 1.102 1.00 0.53 H new ATOM 0 HB2 LYS A 16 6.829 -6.314 -0.623 1.00 0.68 H new ATOM 0 HB3 LYS A 16 7.056 -6.886 1.018 1.00 0.68 H new ATOM 0 HG2 LYS A 16 6.297 -9.224 0.064 1.00 0.80 H new ATOM 0 HG3 LYS A 16 6.640 -8.524 -1.506 1.00 0.80 H new ATOM 0 HD2 LYS A 16 8.706 -8.563 0.739 1.00 1.13 H new ATOM 0 HD3 LYS A 16 8.542 -9.878 -0.407 1.00 1.13 H new ATOM 0 HE2 LYS A 16 8.879 -8.274 -2.293 1.00 1.40 H new ATOM 0 HE3 LYS A 16 9.046 -6.961 -1.145 1.00 1.40 H new ATOM 0 HZ1 LYS A 16 11.206 -7.532 -1.606 1.00 1.86 H new ATOM 0 HZ2 LYS A 16 10.927 -8.397 -0.171 1.00 1.86 H new ATOM 0 HZ3 LYS A 16 10.887 -9.199 -1.667 1.00 1.86 H new ATOM 237 N CYS A 17 4.063 -5.559 2.077 1.00 0.47 N ATOM 238 CA CYS A 17 3.592 -4.350 2.726 1.00 0.45 C ATOM 239 C CYS A 17 4.816 -3.545 3.159 1.00 0.47 C ATOM 240 O CYS A 17 5.470 -3.867 4.152 1.00 0.56 O ATOM 241 CB CYS A 17 2.762 -4.779 3.942 1.00 0.45 C ATOM 242 SG CYS A 17 1.963 -3.393 4.790 1.00 0.52 S ATOM 0 H CYS A 17 3.955 -6.391 2.657 1.00 0.47 H new ATOM 0 HA CYS A 17 2.979 -3.736 2.067 1.00 0.45 H new ATOM 0 HB2 CYS A 17 1.999 -5.488 3.620 1.00 0.45 H new ATOM 0 HB3 CYS A 17 3.407 -5.304 4.647 1.00 0.45 H new ATOM 247 N THR A 18 5.098 -2.440 2.469 1.00 0.51 N ATOM 248 CA THR A 18 6.207 -1.557 2.806 1.00 0.59 C ATOM 249 C THR A 18 5.740 -0.495 3.813 1.00 0.53 C ATOM 250 O THR A 18 6.270 0.617 3.877 1.00 0.70 O ATOM 251 CB THR A 18 6.735 -0.948 1.505 1.00 0.76 C ATOM 252 OG1 THR A 18 5.641 -0.401 0.804 1.00 0.81 O ATOM 253 CG2 THR A 18 7.392 -2.021 0.626 1.00 0.93 C ATOM 0 H THR A 18 4.560 -2.134 1.658 1.00 0.51 H new ATOM 0 HA THR A 18 7.019 -2.102 3.286 1.00 0.59 H new ATOM 0 HB THR A 18 7.479 -0.187 1.741 1.00 0.76 H new ATOM 0 HG1 THR A 18 5.599 -0.792 -0.094 1.00 0.81 H new ATOM 0 HG21 THR A 18 7.759 -1.564 -0.293 1.00 0.93 H new ATOM 0 HG22 THR A 18 8.225 -2.473 1.165 1.00 0.93 H new ATOM 0 HG23 THR A 18 6.659 -2.790 0.381 1.00 0.93 H new ATOM 261 N ILE A 19 4.741 -0.853 4.625 1.00 0.53 N ATOM 262 CA ILE A 19 4.209 -0.047 5.699 1.00 0.55 C ATOM 263 C ILE A 19 4.521 -0.766 7.011 1.00 0.60 C ATOM 264 O ILE A 19 5.312 -0.266 7.803 1.00 0.73 O ATOM 265 CB ILE A 19 2.720 0.190 5.483 1.00 0.49 C ATOM 266 CG1 ILE A 19 2.502 0.677 4.043 1.00 0.51 C ATOM 267 CG2 ILE A 19 2.255 1.181 6.558 1.00 0.59 C ATOM 268 CD1 ILE A 19 1.153 1.317 3.864 1.00 0.58 C ATOM 0 H ILE A 19 4.269 -1.753 4.538 1.00 0.53 H new ATOM 0 HA ILE A 19 4.668 0.941 5.729 1.00 0.55 H new ATOM 0 HB ILE A 19 2.123 -0.716 5.590 1.00 0.49 H new ATOM 0 HG12 ILE A 19 3.281 1.393 3.780 1.00 0.51 H new ATOM 0 HG13 ILE A 19 2.598 -0.165 3.357 1.00 0.51 H new ATOM 0 HG21 ILE A 19 1.190 1.377 6.436 1.00 0.59 H new ATOM 0 HG22 ILE A 19 2.435 0.757 7.546 1.00 0.59 H new ATOM 0 HG23 ILE A 19 2.809 2.114 6.457 1.00 0.59 H new ATOM 0 HD11 ILE A 19 1.041 1.647 2.831 1.00 0.58 H new ATOM 0 HD12 ILE A 19 0.373 0.594 4.101 1.00 0.58 H new ATOM 0 HD13 ILE A 19 1.066 2.175 4.530 1.00 0.58 H new ATOM 280 N CYS A 20 3.944 -1.957 7.216 1.00 0.58 N ATOM 281 CA CYS A 20 4.244 -2.795 8.373 1.00 0.68 C ATOM 282 C CYS A 20 5.509 -3.631 8.138 1.00 0.68 C ATOM 283 O CYS A 20 5.820 -4.494 8.956 1.00 0.83 O ATOM 284 CB CYS A 20 3.049 -3.715 8.675 1.00 0.81 C ATOM 285 SG CYS A 20 2.591 -4.792 7.274 1.00 1.29 S ATOM 0 H CYS A 20 3.256 -2.363 6.581 1.00 0.58 H new ATOM 0 HA CYS A 20 4.425 -2.145 9.229 1.00 0.68 H new ATOM 0 HB2 CYS A 20 3.287 -4.336 9.538 1.00 0.81 H new ATOM 0 HB3 CYS A 20 2.190 -3.104 8.950 1.00 0.81 H new ATOM 290 N LEU A 21 6.241 -3.390 7.042 1.00 0.66 N ATOM 291 CA LEU A 21 7.494 -4.061 6.714 1.00 0.77 C ATOM 292 C LEU A 21 7.353 -5.578 6.839 1.00 0.83 C ATOM 293 O LEU A 21 8.224 -6.248 7.388 1.00 1.01 O ATOM 294 CB LEU A 21 8.629 -3.499 7.589 1.00 0.95 C ATOM 295 CG LEU A 21 8.896 -2.004 7.353 1.00 1.09 C ATOM 296 CD1 LEU A 21 9.815 -1.467 8.452 1.00 1.39 C ATOM 297 CD2 LEU A 21 9.561 -1.770 5.993 1.00 1.47 C ATOM 0 H LEU A 21 5.964 -2.701 6.342 1.00 0.66 H new ATOM 0 HA LEU A 21 7.748 -3.862 5.673 1.00 0.77 H new ATOM 0 HB2 LEU A 21 8.380 -3.655 8.639 1.00 0.95 H new ATOM 0 HB3 LEU A 21 9.543 -4.060 7.391 1.00 0.95 H new ATOM 0 HG LEU A 21 7.939 -1.483 7.371 1.00 1.09 H new ATOM 0 HD11 LEU A 21 10.003 -0.407 8.283 1.00 1.39 H new ATOM 0 HD12 LEU A 21 9.338 -1.601 9.423 1.00 1.39 H new ATOM 0 HD13 LEU A 21 10.760 -2.011 8.434 1.00 1.39 H new ATOM 0 HD21 LEU A 21 9.738 -0.704 5.853 1.00 1.47 H new ATOM 0 HD22 LEU A 21 10.511 -2.303 5.956 1.00 1.47 H new ATOM 0 HD23 LEU A 21 8.908 -2.136 5.201 1.00 1.47 H new ATOM 309 N SER A 22 6.258 -6.126 6.309 1.00 0.76 N ATOM 310 CA SER A 22 5.992 -7.555 6.342 1.00 0.86 C ATOM 311 C SER A 22 5.388 -7.980 5.015 1.00 0.69 C ATOM 312 O SER A 22 4.774 -7.186 4.312 1.00 0.60 O ATOM 313 CB SER A 22 5.029 -7.901 7.479 1.00 1.03 C ATOM 314 OG SER A 22 5.494 -7.415 8.723 1.00 1.75 O ATOM 0 H SER A 22 5.530 -5.583 5.844 1.00 0.76 H new ATOM 0 HA SER A 22 6.929 -8.084 6.512 1.00 0.86 H new ATOM 0 HB2 SER A 22 4.047 -7.477 7.266 1.00 1.03 H new ATOM 0 HB3 SER A 22 4.904 -8.982 7.534 1.00 1.03 H new ATOM 0 HG SER A 22 5.505 -6.435 8.708 1.00 1.75 H new ATOM 320 N ILE A 23 5.571 -9.242 4.662 1.00 0.74 N ATOM 321 CA ILE A 23 4.975 -9.849 3.495 1.00 0.67 C ATOM 322 C ILE A 23 3.618 -10.406 3.921 1.00 0.67 C ATOM 323 O ILE A 23 3.380 -10.587 5.115 1.00 0.76 O ATOM 324 CB ILE A 23 5.960 -10.901 2.967 1.00 0.75 C ATOM 325 CG1 ILE A 23 7.287 -10.220 2.584 1.00 0.98 C ATOM 326 CG2 ILE A 23 5.403 -11.580 1.714 1.00 0.74 C ATOM 327 CD1 ILE A 23 8.342 -10.035 3.678 1.00 1.29 C ATOM 0 H ILE A 23 6.155 -9.885 5.197 1.00 0.74 H new ATOM 0 HA ILE A 23 4.792 -9.154 2.675 1.00 0.67 H new ATOM 0 HB ILE A 23 6.116 -11.642 3.751 1.00 0.75 H new ATOM 0 HG12 ILE A 23 7.739 -10.799 1.779 1.00 0.98 H new ATOM 0 HG13 ILE A 23 7.052 -9.237 2.177 1.00 0.98 H new ATOM 0 HG21 ILE A 23 6.116 -12.322 1.355 1.00 0.74 H new ATOM 0 HG22 ILE A 23 4.459 -12.070 1.955 1.00 0.74 H new ATOM 0 HG23 ILE A 23 5.236 -10.832 0.939 1.00 0.74 H new ATOM 0 HD11 ILE A 23 9.219 -9.542 3.258 1.00 1.29 H new ATOM 0 HD12 ILE A 23 7.931 -9.422 4.480 1.00 1.29 H new ATOM 0 HD13 ILE A 23 8.628 -11.009 4.076 1.00 1.29 H new ATOM 339 N LEU A 24 2.712 -10.601 2.961 1.00 0.64 N ATOM 340 CA LEU A 24 1.308 -10.882 3.233 1.00 0.72 C ATOM 341 C LEU A 24 0.991 -12.315 2.832 1.00 0.90 C ATOM 342 O LEU A 24 0.883 -13.189 3.686 1.00 1.12 O ATOM 343 CB LEU A 24 0.426 -9.855 2.508 1.00 0.74 C ATOM 344 CG LEU A 24 0.849 -8.415 2.782 1.00 0.66 C ATOM 345 CD1 LEU A 24 -0.097 -7.524 1.988 1.00 1.07 C ATOM 346 CD2 LEU A 24 0.798 -8.123 4.273 1.00 0.92 C ATOM 0 H LEU A 24 2.937 -10.567 1.967 1.00 0.64 H new ATOM 0 HA LEU A 24 1.099 -10.789 4.299 1.00 0.72 H new ATOM 0 HB2 LEU A 24 0.465 -10.042 1.435 1.00 0.74 H new ATOM 0 HB3 LEU A 24 -0.610 -9.990 2.818 1.00 0.74 H new ATOM 0 HG LEU A 24 1.878 -8.231 2.473 1.00 0.66 H new ATOM 0 HD11 LEU A 24 0.165 -6.479 2.151 1.00 1.07 H new ATOM 0 HD12 LEU A 24 -0.012 -7.758 0.927 1.00 1.07 H new ATOM 0 HD13 LEU A 24 -1.122 -7.697 2.317 1.00 1.07 H new ATOM 0 HD21 LEU A 24 1.103 -7.092 4.452 1.00 0.92 H new ATOM 0 HD22 LEU A 24 -0.219 -8.270 4.638 1.00 0.92 H new ATOM 0 HD23 LEU A 24 1.473 -8.798 4.799 1.00 0.92 H new ATOM 358 N GLU A 25 0.916 -12.543 1.525 1.00 0.90 N ATOM 359 CA GLU A 25 0.694 -13.812 0.864 1.00 1.16 C ATOM 360 C GLU A 25 -0.758 -14.272 1.006 1.00 1.66 C ATOM 361 O GLU A 25 -1.613 -13.586 1.575 1.00 3.14 O ATOM 362 CB GLU A 25 1.713 -14.884 1.287 1.00 1.41 C ATOM 363 CG GLU A 25 3.143 -14.346 1.417 1.00 1.20 C ATOM 364 CD GLU A 25 4.215 -15.430 1.566 1.00 1.38 C ATOM 365 OE1 GLU A 25 5.305 -15.075 2.072 1.00 1.95 O ATOM 366 OE2 GLU A 25 3.953 -16.587 1.170 1.00 2.25 O ATOM 0 H GLU A 25 1.018 -11.782 0.853 1.00 0.90 H new ATOM 0 HA GLU A 25 0.866 -13.655 -0.201 1.00 1.16 H new ATOM 0 HB2 GLU A 25 1.405 -15.311 2.241 1.00 1.41 H new ATOM 0 HB3 GLU A 25 1.702 -15.693 0.557 1.00 1.41 H new ATOM 0 HG2 GLU A 25 3.373 -13.743 0.538 1.00 1.20 H new ATOM 0 HG3 GLU A 25 3.192 -13.683 2.281 1.00 1.20 H new ATOM 373 N GLU A 26 -1.056 -15.440 0.433 1.00 1.79 N ATOM 374 CA GLU A 26 -2.410 -15.956 0.407 1.00 2.32 C ATOM 375 C GLU A 26 -2.894 -16.173 1.836 1.00 1.88 C ATOM 376 O GLU A 26 -2.227 -16.814 2.646 1.00 2.94 O ATOM 377 CB GLU A 26 -2.492 -17.202 -0.483 1.00 4.11 C ATOM 378 CG GLU A 26 -1.777 -18.457 0.053 1.00 4.43 C ATOM 379 CD GLU A 26 -2.648 -19.353 0.945 1.00 4.99 C ATOM 380 OE1 GLU A 26 -2.094 -20.354 1.454 1.00 5.64 O ATOM 381 OE2 GLU A 26 -3.868 -19.085 1.045 1.00 5.58 O ATOM 0 H GLU A 26 -0.368 -16.043 -0.019 1.00 1.79 H new ATOM 0 HA GLU A 26 -3.089 -15.234 -0.045 1.00 2.32 H new ATOM 0 HB2 GLU A 26 -3.543 -17.445 -0.640 1.00 4.11 H new ATOM 0 HB3 GLU A 26 -2.072 -16.957 -1.459 1.00 4.11 H new ATOM 0 HG2 GLU A 26 -1.419 -19.045 -0.792 1.00 4.43 H new ATOM 0 HG3 GLU A 26 -0.899 -18.146 0.619 1.00 4.43 H new ATOM 388 N GLY A 27 -4.028 -15.555 2.157 1.00 1.68 N ATOM 389 CA GLY A 27 -4.547 -15.523 3.511 1.00 2.58 C ATOM 390 C GLY A 27 -5.081 -14.139 3.852 1.00 2.16 C ATOM 391 O GLY A 27 -6.138 -14.034 4.471 1.00 2.48 O ATOM 0 H GLY A 27 -4.610 -15.063 1.480 1.00 1.68 H new ATOM 0 HA2 GLY A 27 -5.342 -16.261 3.618 1.00 2.58 H new ATOM 0 HA3 GLY A 27 -3.760 -15.798 4.214 1.00 2.58 H new ATOM 395 N GLU A 28 -4.365 -13.077 3.467 1.00 1.65 N ATOM 396 CA GLU A 28 -4.777 -11.717 3.806 1.00 1.58 C ATOM 397 C GLU A 28 -5.379 -11.002 2.590 1.00 1.30 C ATOM 398 O GLU A 28 -5.606 -11.619 1.551 1.00 1.80 O ATOM 399 CB GLU A 28 -3.602 -10.955 4.437 1.00 2.04 C ATOM 400 CG GLU A 28 -3.195 -11.575 5.781 1.00 2.68 C ATOM 401 CD GLU A 28 -2.621 -10.510 6.716 1.00 3.48 C ATOM 402 OE1 GLU A 28 -1.731 -9.758 6.263 1.00 3.96 O ATOM 403 OE2 GLU A 28 -3.139 -10.375 7.845 1.00 4.46 O ATOM 0 H GLU A 28 -3.503 -13.135 2.924 1.00 1.65 H new ATOM 0 HA GLU A 28 -5.571 -11.755 4.551 1.00 1.58 H new ATOM 0 HB2 GLU A 28 -2.751 -10.966 3.756 1.00 2.04 H new ATOM 0 HB3 GLU A 28 -3.879 -9.911 4.584 1.00 2.04 H new ATOM 0 HG2 GLU A 28 -4.061 -12.046 6.247 1.00 2.68 H new ATOM 0 HG3 GLU A 28 -2.455 -12.358 5.617 1.00 2.68 H new ATOM 410 N ASP A 29 -5.682 -9.706 2.730 1.00 1.01 N ATOM 411 CA ASP A 29 -6.385 -8.907 1.734 1.00 1.12 C ATOM 412 C ASP A 29 -5.535 -7.686 1.395 1.00 0.87 C ATOM 413 O ASP A 29 -4.756 -7.208 2.225 1.00 1.00 O ATOM 414 CB ASP A 29 -7.757 -8.488 2.281 1.00 1.50 C ATOM 415 CG ASP A 29 -8.642 -7.844 1.213 1.00 2.45 C ATOM 416 OD1 ASP A 29 -9.625 -7.179 1.614 1.00 2.92 O ATOM 417 OD2 ASP A 29 -8.326 -8.026 0.018 1.00 3.92 O ATOM 0 H ASP A 29 -5.435 -9.174 3.565 1.00 1.01 H new ATOM 0 HA ASP A 29 -6.547 -9.489 0.827 1.00 1.12 H new ATOM 0 HB2 ASP A 29 -8.264 -9.362 2.689 1.00 1.50 H new ATOM 0 HB3 ASP A 29 -7.618 -7.787 3.104 1.00 1.50 H new ATOM 422 N VAL A 30 -5.673 -7.171 0.176 1.00 0.77 N ATOM 423 CA VAL A 30 -4.802 -6.152 -0.376 1.00 0.73 C ATOM 424 C VAL A 30 -5.655 -5.075 -1.027 1.00 0.71 C ATOM 425 O VAL A 30 -6.687 -5.363 -1.630 1.00 0.94 O ATOM 426 CB VAL A 30 -3.818 -6.779 -1.380 1.00 0.91 C ATOM 427 CG1 VAL A 30 -2.726 -7.557 -0.641 1.00 1.22 C ATOM 428 CG2 VAL A 30 -4.493 -7.717 -2.390 1.00 1.34 C ATOM 0 H VAL A 30 -6.412 -7.461 -0.465 1.00 0.77 H new ATOM 0 HA VAL A 30 -4.209 -5.696 0.417 1.00 0.73 H new ATOM 0 HB VAL A 30 -3.390 -5.946 -1.938 1.00 0.91 H new ATOM 0 HG11 VAL A 30 -2.038 -7.994 -1.364 1.00 1.22 H new ATOM 0 HG12 VAL A 30 -2.180 -6.881 0.017 1.00 1.22 H new ATOM 0 HG13 VAL A 30 -3.182 -8.350 -0.048 1.00 1.22 H new ATOM 0 HG21 VAL A 30 -3.742 -8.124 -3.067 1.00 1.34 H new ATOM 0 HG22 VAL A 30 -4.982 -8.533 -1.858 1.00 1.34 H new ATOM 0 HG23 VAL A 30 -5.235 -7.161 -2.963 1.00 1.34 H new ATOM 438 N ARG A 31 -5.219 -3.819 -0.937 1.00 0.66 N ATOM 439 CA ARG A 31 -5.912 -2.707 -1.552 1.00 0.64 C ATOM 440 C ARG A 31 -4.879 -1.969 -2.382 1.00 0.63 C ATOM 441 O ARG A 31 -3.708 -1.881 -2.001 1.00 1.18 O ATOM 442 CB ARG A 31 -6.586 -1.846 -0.470 1.00 0.72 C ATOM 443 CG ARG A 31 -7.371 -0.673 -1.077 1.00 0.97 C ATOM 444 CD ARG A 31 -8.624 -0.324 -0.263 1.00 1.40 C ATOM 445 NE ARG A 31 -8.350 0.357 1.017 1.00 2.47 N ATOM 446 CZ ARG A 31 -9.268 0.524 1.982 1.00 3.44 C ATOM 447 NH1 ARG A 31 -9.082 1.408 2.957 1.00 4.96 N ATOM 448 NH2 ARG A 31 -10.391 -0.192 1.969 1.00 3.72 N ATOM 0 H ARG A 31 -4.373 -3.552 -0.433 1.00 0.66 H new ATOM 0 HA ARG A 31 -6.725 -3.020 -2.207 1.00 0.64 H new ATOM 0 HB2 ARG A 31 -7.260 -2.467 0.120 1.00 0.72 H new ATOM 0 HB3 ARG A 31 -5.828 -1.461 0.212 1.00 0.72 H new ATOM 0 HG2 ARG A 31 -6.724 0.202 -1.136 1.00 0.97 H new ATOM 0 HG3 ARG A 31 -7.662 -0.923 -2.097 1.00 0.97 H new ATOM 0 HD2 ARG A 31 -9.270 0.312 -0.868 1.00 1.40 H new ATOM 0 HD3 ARG A 31 -9.178 -1.241 -0.061 1.00 1.40 H new ATOM 0 HE ARG A 31 -7.411 0.721 1.177 1.00 2.47 H new ATOM 0 HH11 ARG A 31 -8.232 1.971 2.979 1.00 4.96 H new ATOM 0 HH12 ARG A 31 -9.789 1.523 3.683 1.00 4.96 H new ATOM 0 HH21 ARG A 31 -10.555 -0.869 1.224 1.00 3.72 H new ATOM 0 HH22 ARG A 31 -11.087 -0.063 2.704 1.00 3.72 H new ATOM 462 N ARG A 32 -5.313 -1.462 -3.534 1.00 0.69 N ATOM 463 CA ARG A 32 -4.448 -0.751 -4.453 1.00 0.66 C ATOM 464 C ARG A 32 -4.973 0.657 -4.611 1.00 0.70 C ATOM 465 O ARG A 32 -6.157 0.859 -4.886 1.00 1.01 O ATOM 466 CB ARG A 32 -4.267 -1.504 -5.779 1.00 0.67 C ATOM 467 CG ARG A 32 -5.567 -1.809 -6.531 1.00 1.18 C ATOM 468 CD ARG A 32 -5.904 -0.768 -7.605 1.00 1.11 C ATOM 469 NE ARG A 32 -7.224 -1.043 -8.193 1.00 1.69 N ATOM 470 CZ ARG A 32 -8.401 -0.696 -7.656 1.00 2.72 C ATOM 471 NH1 ARG A 32 -9.537 -1.080 -8.240 1.00 3.20 N ATOM 472 NH2 ARG A 32 -8.448 0.024 -6.534 1.00 3.93 N ATOM 0 H ARG A 32 -6.280 -1.537 -3.851 1.00 0.69 H new ATOM 0 HA ARG A 32 -3.439 -0.691 -4.046 1.00 0.66 H new ATOM 0 HB2 ARG A 32 -3.618 -0.916 -6.428 1.00 0.67 H new ATOM 0 HB3 ARG A 32 -3.751 -2.443 -5.579 1.00 0.67 H new ATOM 0 HG2 ARG A 32 -5.487 -2.790 -6.998 1.00 1.18 H new ATOM 0 HG3 ARG A 32 -6.388 -1.863 -5.816 1.00 1.18 H new ATOM 0 HD2 ARG A 32 -5.895 0.230 -7.168 1.00 1.11 H new ATOM 0 HD3 ARG A 32 -5.142 -0.781 -8.384 1.00 1.11 H new ATOM 0 HE ARG A 32 -7.245 -1.539 -9.084 1.00 1.69 H new ATOM 0 HH11 ARG A 32 -9.508 -1.637 -9.094 1.00 3.20 H new ATOM 0 HH12 ARG A 32 -10.434 -0.817 -7.833 1.00 3.20 H new ATOM 0 HH21 ARG A 32 -7.583 0.315 -6.078 1.00 3.93 H new ATOM 0 HH22 ARG A 32 -9.349 0.284 -6.132 1.00 3.93 H new ATOM 486 N LEU A 33 -4.078 1.608 -4.382 1.00 0.58 N ATOM 487 CA LEU A 33 -4.275 3.029 -4.474 1.00 0.58 C ATOM 488 C LEU A 33 -4.700 3.391 -5.892 1.00 0.73 C ATOM 489 O LEU A 33 -4.292 2.725 -6.847 1.00 0.87 O ATOM 490 CB LEU A 33 -2.931 3.705 -4.150 1.00 0.71 C ATOM 491 CG LEU A 33 -2.303 3.260 -2.818 1.00 0.72 C ATOM 492 CD1 LEU A 33 -1.107 4.152 -2.479 1.00 2.10 C ATOM 493 CD2 LEU A 33 -3.329 3.261 -1.683 1.00 1.34 C ATOM 0 H LEU A 33 -3.124 1.376 -4.106 1.00 0.58 H new ATOM 0 HA LEU A 33 -5.049 3.359 -3.780 1.00 0.58 H new ATOM 0 HB2 LEU A 33 -2.229 3.496 -4.957 1.00 0.71 H new ATOM 0 HB3 LEU A 33 -3.077 4.785 -4.126 1.00 0.71 H new ATOM 0 HG LEU A 33 -1.954 2.234 -2.933 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -0.669 3.830 -1.534 1.00 2.10 H new ATOM 0 HD12 LEU A 33 -0.361 4.076 -3.270 1.00 2.10 H new ATOM 0 HD13 LEU A 33 -1.438 5.187 -2.391 1.00 2.10 H new ATOM 0 HD21 LEU A 33 -2.849 2.941 -0.758 1.00 1.34 H new ATOM 0 HD22 LEU A 33 -3.729 4.267 -1.555 1.00 1.34 H new ATOM 0 HD23 LEU A 33 -4.141 2.576 -1.926 1.00 1.34 H new ATOM 505 N PRO A 34 -5.409 4.513 -6.060 1.00 0.82 N ATOM 506 CA PRO A 34 -5.696 5.064 -7.373 1.00 1.05 C ATOM 507 C PRO A 34 -4.419 5.514 -8.092 1.00 1.14 C ATOM 508 O PRO A 34 -4.467 5.796 -9.285 1.00 1.43 O ATOM 509 CB PRO A 34 -6.655 6.230 -7.116 1.00 1.18 C ATOM 510 CG PRO A 34 -6.285 6.689 -5.707 1.00 1.02 C ATOM 511 CD PRO A 34 -5.923 5.378 -5.011 1.00 0.81 C ATOM 0 HA PRO A 34 -6.141 4.321 -8.036 1.00 1.05 H new ATOM 0 HB2 PRO A 34 -6.522 7.028 -7.846 1.00 1.18 H new ATOM 0 HB3 PRO A 34 -7.697 5.914 -7.175 1.00 1.18 H new ATOM 0 HG2 PRO A 34 -5.448 7.388 -5.715 1.00 1.02 H new ATOM 0 HG3 PRO A 34 -7.116 7.193 -5.214 1.00 1.02 H new ATOM 0 HD2 PRO A 34 -5.176 5.539 -4.234 1.00 0.81 H new ATOM 0 HD3 PRO A 34 -6.795 4.935 -4.529 1.00 0.81 H new ATOM 519 N CYS A 35 -3.268 5.549 -7.408 1.00 0.93 N ATOM 520 CA CYS A 35 -2.003 5.948 -7.999 1.00 1.02 C ATOM 521 C CYS A 35 -1.225 4.702 -8.448 1.00 1.10 C ATOM 522 O CYS A 35 0.014 4.733 -8.493 1.00 1.22 O ATOM 523 CB CYS A 35 -1.234 6.766 -6.945 1.00 0.88 C ATOM 524 SG CYS A 35 -0.259 5.719 -5.817 1.00 1.21 S ATOM 0 H CYS A 35 -3.198 5.298 -6.422 1.00 0.93 H new ATOM 0 HA CYS A 35 -2.153 6.564 -8.886 1.00 1.02 H new ATOM 0 HB2 CYS A 35 -0.569 7.467 -7.449 1.00 0.88 H new ATOM 0 HB3 CYS A 35 -1.941 7.359 -6.364 1.00 0.88 H new ATOM 529 N MET A 36 -1.929 3.603 -8.735 1.00 1.17 N ATOM 530 CA MET A 36 -1.370 2.354 -9.227 1.00 1.31 C ATOM 531 C MET A 36 -0.218 1.852 -8.346 1.00 1.23 C ATOM 532 O MET A 36 0.933 1.770 -8.765 1.00 1.34 O ATOM 533 CB MET A 36 -1.027 2.504 -10.725 1.00 1.67 C ATOM 534 CG MET A 36 -2.010 1.710 -11.587 1.00 1.54 C ATOM 535 SD MET A 36 -1.752 -0.084 -11.559 1.00 2.47 S ATOM 536 CE MET A 36 -0.282 -0.189 -12.618 1.00 3.00 C ATOM 0 H MET A 36 -2.942 3.564 -8.625 1.00 1.17 H new ATOM 0 HA MET A 36 -2.113 1.560 -9.154 1.00 1.31 H new ATOM 0 HB2 MET A 36 -1.057 3.557 -11.006 1.00 1.67 H new ATOM 0 HB3 MET A 36 -0.011 2.154 -10.907 1.00 1.67 H new ATOM 0 HG2 MET A 36 -3.024 1.924 -11.250 1.00 1.54 H new ATOM 0 HG3 MET A 36 -1.935 2.059 -12.617 1.00 1.54 H new ATOM 0 HE1 MET A 36 -0.398 -1.014 -13.321 1.00 3.00 H new ATOM 0 HE2 MET A 36 -0.163 0.744 -13.169 1.00 3.00 H new ATOM 0 HE3 MET A 36 0.600 -0.361 -12.001 1.00 3.00 H new ATOM 546 N HIS A 37 -0.542 1.506 -7.101 1.00 1.09 N ATOM 547 CA HIS A 37 0.379 0.899 -6.144 1.00 1.10 C ATOM 548 C HIS A 37 -0.461 0.060 -5.171 1.00 1.16 C ATOM 549 O HIS A 37 -1.647 0.347 -5.032 1.00 1.80 O ATOM 550 CB HIS A 37 1.158 2.013 -5.423 1.00 0.99 C ATOM 551 CG HIS A 37 2.398 2.458 -6.167 1.00 1.33 C ATOM 552 ND1 HIS A 37 2.582 3.626 -6.923 1.00 1.31 N ATOM 553 CD2 HIS A 37 3.554 1.729 -6.201 1.00 1.78 C ATOM 554 CE1 HIS A 37 3.835 3.561 -7.390 1.00 1.73 C ATOM 555 NE2 HIS A 37 4.447 2.437 -6.975 1.00 2.03 N ATOM 0 H HIS A 37 -1.478 1.644 -6.721 1.00 1.09 H new ATOM 0 HA HIS A 37 1.110 0.253 -6.631 1.00 1.10 H new ATOM 0 HB2 HIS A 37 0.501 2.871 -5.280 1.00 0.99 H new ATOM 0 HB3 HIS A 37 1.444 1.662 -4.431 1.00 0.99 H new ATOM 0 HD2 HIS A 37 3.733 0.781 -5.715 1.00 1.78 H new ATOM 0 HE1 HIS A 37 4.294 4.311 -8.017 1.00 1.73 H new ATOM 0 HE2 HIS A 37 5.403 2.158 -7.195 1.00 2.03 H new ATOM 563 N LEU A 38 0.095 -0.960 -4.502 1.00 0.82 N ATOM 564 CA LEU A 38 -0.659 -1.842 -3.600 1.00 0.92 C ATOM 565 C LEU A 38 0.122 -1.983 -2.299 1.00 0.78 C ATOM 566 O LEU A 38 1.336 -2.145 -2.353 1.00 0.96 O ATOM 567 CB LEU A 38 -0.972 -3.192 -4.281 1.00 1.36 C ATOM 568 CG LEU A 38 0.031 -4.327 -3.996 1.00 1.05 C ATOM 569 CD1 LEU A 38 -0.344 -5.102 -2.726 1.00 1.70 C ATOM 570 CD2 LEU A 38 0.057 -5.336 -5.142 1.00 2.14 C ATOM 0 H LEU A 38 1.085 -1.197 -4.572 1.00 0.82 H new ATOM 0 HA LEU A 38 -1.631 -1.409 -3.363 1.00 0.92 H new ATOM 0 HB2 LEU A 38 -1.963 -3.518 -3.964 1.00 1.36 H new ATOM 0 HB3 LEU A 38 -1.018 -3.034 -5.358 1.00 1.36 H new ATOM 0 HG LEU A 38 1.004 -3.851 -3.877 1.00 1.05 H new ATOM 0 HD11 LEU A 38 0.384 -5.895 -2.555 1.00 1.70 H new ATOM 0 HD12 LEU A 38 -0.348 -4.423 -1.873 1.00 1.70 H new ATOM 0 HD13 LEU A 38 -1.335 -5.540 -2.846 1.00 1.70 H new ATOM 0 HD21 LEU A 38 0.773 -6.126 -4.915 1.00 2.14 H new ATOM 0 HD22 LEU A 38 -0.935 -5.770 -5.267 1.00 2.14 H new ATOM 0 HD23 LEU A 38 0.352 -4.833 -6.063 1.00 2.14 H new ATOM 582 N PHE A 39 -0.551 -1.915 -1.146 1.00 0.76 N ATOM 583 CA PHE A 39 0.122 -1.918 0.155 1.00 0.93 C ATOM 584 C PHE A 39 -0.797 -2.443 1.270 1.00 1.28 C ATOM 585 O PHE A 39 -1.160 -1.699 2.183 1.00 3.05 O ATOM 586 CB PHE A 39 0.586 -0.494 0.507 1.00 1.15 C ATOM 587 CG PHE A 39 1.637 0.126 -0.400 1.00 1.15 C ATOM 588 CD1 PHE A 39 1.399 1.371 -1.013 1.00 1.77 C ATOM 589 CD2 PHE A 39 2.855 -0.538 -0.638 1.00 1.89 C ATOM 590 CE1 PHE A 39 2.361 1.936 -1.870 1.00 1.92 C ATOM 591 CE2 PHE A 39 3.795 0.004 -1.532 1.00 2.17 C ATOM 592 CZ PHE A 39 3.555 1.245 -2.141 1.00 1.74 C ATOM 0 H PHE A 39 -1.568 -1.857 -1.089 1.00 0.76 H new ATOM 0 HA PHE A 39 0.981 -2.584 0.080 1.00 0.93 H new ATOM 0 HB2 PHE A 39 -0.288 0.158 0.510 1.00 1.15 H new ATOM 0 HB3 PHE A 39 0.978 -0.506 1.524 1.00 1.15 H new ATOM 0 HD1 PHE A 39 0.474 1.895 -0.824 1.00 1.77 H new ATOM 0 HD2 PHE A 39 3.068 -1.468 -0.132 1.00 1.89 H new ATOM 0 HE1 PHE A 39 2.182 2.901 -2.320 1.00 1.92 H new ATOM 0 HE2 PHE A 39 4.704 -0.536 -1.751 1.00 2.17 H new ATOM 0 HZ PHE A 39 4.285 1.668 -2.815 1.00 1.74 H new ATOM 602 N HIS A 40 -1.125 -3.742 1.249 1.00 0.88 N ATOM 603 CA HIS A 40 -2.027 -4.360 2.228 1.00 0.78 C ATOM 604 C HIS A 40 -3.413 -3.705 2.129 1.00 1.07 C ATOM 605 O HIS A 40 -3.640 -2.892 1.236 1.00 2.09 O ATOM 606 CB HIS A 40 -1.385 -4.206 3.622 1.00 0.84 C ATOM 607 CG HIS A 40 -1.549 -5.326 4.619 1.00 0.66 C ATOM 608 ND1 HIS A 40 -0.746 -5.474 5.753 1.00 0.67 N ATOM 609 CD2 HIS A 40 -2.435 -6.365 4.558 1.00 0.80 C ATOM 610 CE1 HIS A 40 -1.177 -6.586 6.364 1.00 0.89 C ATOM 611 NE2 HIS A 40 -2.189 -7.133 5.673 1.00 0.96 N ATOM 0 H HIS A 40 -0.771 -4.395 0.550 1.00 0.88 H new ATOM 0 HA HIS A 40 -2.171 -5.423 2.035 1.00 0.78 H new ATOM 0 HB2 HIS A 40 -0.317 -4.044 3.479 1.00 0.84 H new ATOM 0 HB3 HIS A 40 -1.787 -3.299 4.074 1.00 0.84 H new ATOM 0 HD2 HIS A 40 -3.175 -6.546 3.793 1.00 0.80 H new ATOM 0 HE1 HIS A 40 -0.769 -6.985 7.281 1.00 0.89 H new ATOM 0 HE2 HIS A 40 -2.694 -7.981 5.932 1.00 0.96 H new ATOM 619 N GLN A 41 -4.347 -4.022 3.030 1.00 0.63 N ATOM 620 CA GLN A 41 -5.538 -3.195 3.213 1.00 0.71 C ATOM 621 C GLN A 41 -5.494 -2.514 4.574 1.00 0.75 C ATOM 622 O GLN A 41 -5.841 -1.344 4.677 1.00 1.02 O ATOM 623 CB GLN A 41 -6.837 -3.984 3.003 1.00 0.91 C ATOM 624 CG GLN A 41 -8.028 -3.008 3.065 1.00 1.09 C ATOM 625 CD GLN A 41 -9.267 -3.565 2.378 1.00 1.99 C ATOM 626 OE1 GLN A 41 -9.850 -2.915 1.511 1.00 3.04 O ATOM 627 NE2 GLN A 41 -9.671 -4.767 2.756 1.00 2.80 N ATOM 0 H GLN A 41 -4.301 -4.839 3.639 1.00 0.63 H new ATOM 0 HA GLN A 41 -5.535 -2.424 2.443 1.00 0.71 H new ATOM 0 HB2 GLN A 41 -6.817 -4.494 2.040 1.00 0.91 H new ATOM 0 HB3 GLN A 41 -6.939 -4.753 3.769 1.00 0.91 H new ATOM 0 HG2 GLN A 41 -8.261 -2.788 4.107 1.00 1.09 H new ATOM 0 HG3 GLN A 41 -7.747 -2.065 2.595 1.00 1.09 H new ATOM 0 HE21 GLN A 41 -9.159 -5.273 3.479 1.00 2.80 H new ATOM 0 HE22 GLN A 41 -10.494 -5.187 2.325 1.00 2.80 H new ATOM 636 N VAL A 42 -5.049 -3.223 5.614 1.00 0.75 N ATOM 637 CA VAL A 42 -4.934 -2.654 6.948 1.00 0.84 C ATOM 638 C VAL A 42 -3.976 -1.460 6.922 1.00 0.79 C ATOM 639 O VAL A 42 -4.357 -0.337 7.232 1.00 1.07 O ATOM 640 CB VAL A 42 -4.476 -3.747 7.934 1.00 1.02 C ATOM 641 CG1 VAL A 42 -4.347 -3.204 9.362 1.00 1.10 C ATOM 642 CG2 VAL A 42 -5.470 -4.917 7.948 1.00 1.30 C ATOM 0 H VAL A 42 -4.762 -4.200 5.551 1.00 0.75 H new ATOM 0 HA VAL A 42 -5.903 -2.286 7.286 1.00 0.84 H new ATOM 0 HB VAL A 42 -3.499 -4.089 7.592 1.00 1.02 H new ATOM 0 HG11 VAL A 42 -4.022 -4.004 10.027 1.00 1.10 H new ATOM 0 HG12 VAL A 42 -3.614 -2.397 9.380 1.00 1.10 H new ATOM 0 HG13 VAL A 42 -5.313 -2.824 9.695 1.00 1.10 H new ATOM 0 HG21 VAL A 42 -5.128 -5.677 8.650 1.00 1.30 H new ATOM 0 HG22 VAL A 42 -6.452 -4.556 8.254 1.00 1.30 H new ATOM 0 HG23 VAL A 42 -5.537 -5.349 6.950 1.00 1.30 H new ATOM 652 N CYS A 43 -2.716 -1.707 6.564 1.00 0.67 N ATOM 653 CA CYS A 43 -1.636 -0.779 6.856 1.00 0.81 C ATOM 654 C CYS A 43 -1.711 0.465 5.986 1.00 0.55 C ATOM 655 O CYS A 43 -1.375 1.555 6.447 1.00 0.54 O ATOM 656 CB CYS A 43 -0.326 -1.481 6.564 1.00 1.14 C ATOM 657 SG CYS A 43 -0.226 -2.941 7.612 1.00 1.59 S ATOM 0 H CYS A 43 -2.422 -2.549 6.068 1.00 0.67 H new ATOM 0 HA CYS A 43 -1.714 -0.473 7.899 1.00 0.81 H new ATOM 0 HB2 CYS A 43 -0.272 -1.763 5.513 1.00 1.14 H new ATOM 0 HB3 CYS A 43 0.514 -0.815 6.759 1.00 1.14 H new ATOM 662 N VAL A 44 -2.099 0.320 4.716 1.00 0.52 N ATOM 663 CA VAL A 44 -2.394 1.485 3.897 1.00 0.52 C ATOM 664 C VAL A 44 -3.329 2.414 4.677 1.00 0.57 C ATOM 665 O VAL A 44 -3.055 3.606 4.788 1.00 0.58 O ATOM 666 CB VAL A 44 -2.948 1.079 2.520 1.00 0.71 C ATOM 667 CG1 VAL A 44 -4.104 0.079 2.581 1.00 1.82 C ATOM 668 CG2 VAL A 44 -3.421 2.296 1.725 1.00 1.58 C ATOM 0 H VAL A 44 -2.213 -0.577 4.245 1.00 0.52 H new ATOM 0 HA VAL A 44 -1.476 2.033 3.685 1.00 0.52 H new ATOM 0 HB VAL A 44 -2.107 0.594 2.025 1.00 0.71 H new ATOM 0 HG11 VAL A 44 -4.436 -0.155 1.570 1.00 1.82 H new ATOM 0 HG12 VAL A 44 -3.770 -0.834 3.073 1.00 1.82 H new ATOM 0 HG13 VAL A 44 -4.931 0.513 3.144 1.00 1.82 H new ATOM 0 HG21 VAL A 44 -3.806 1.972 0.758 1.00 1.58 H new ATOM 0 HG22 VAL A 44 -4.210 2.807 2.277 1.00 1.58 H new ATOM 0 HG23 VAL A 44 -2.585 2.978 1.572 1.00 1.58 H new ATOM 678 N ASP A 45 -4.371 1.867 5.310 1.00 0.67 N ATOM 679 CA ASP A 45 -5.354 2.625 6.079 1.00 0.85 C ATOM 680 C ASP A 45 -4.830 3.034 7.465 1.00 0.88 C ATOM 681 O ASP A 45 -5.605 3.319 8.374 1.00 1.11 O ATOM 682 CB ASP A 45 -6.644 1.790 6.186 1.00 1.01 C ATOM 683 CG ASP A 45 -7.851 2.557 5.662 1.00 1.60 C ATOM 684 OD1 ASP A 45 -7.724 3.098 4.539 1.00 2.69 O ATOM 685 OD2 ASP A 45 -8.926 2.507 6.296 1.00 2.41 O ATOM 0 H ASP A 45 -4.556 0.864 5.300 1.00 0.67 H new ATOM 0 HA ASP A 45 -5.561 3.559 5.557 1.00 0.85 H new ATOM 0 HB2 ASP A 45 -6.527 0.864 5.622 1.00 1.01 H new ATOM 0 HB3 ASP A 45 -6.813 1.511 7.226 1.00 1.01 H new ATOM 690 N GLN A 46 -3.508 3.112 7.633 1.00 0.80 N ATOM 691 CA GLN A 46 -2.844 3.400 8.893 1.00 0.92 C ATOM 692 C GLN A 46 -1.701 4.398 8.674 1.00 0.89 C ATOM 693 O GLN A 46 -1.527 5.324 9.460 1.00 1.08 O ATOM 694 CB GLN A 46 -2.351 2.078 9.499 1.00 1.01 C ATOM 695 CG GLN A 46 -2.247 2.160 11.024 1.00 1.26 C ATOM 696 CD GLN A 46 -1.713 0.861 11.626 1.00 1.75 C ATOM 697 OE1 GLN A 46 -1.484 -0.125 10.936 1.00 2.75 O ATOM 698 NE2 GLN A 46 -1.500 0.836 12.935 1.00 2.26 N ATOM 0 H GLN A 46 -2.853 2.970 6.864 1.00 0.80 H new ATOM 0 HA GLN A 46 -3.538 3.865 9.593 1.00 0.92 H new ATOM 0 HB2 GLN A 46 -3.033 1.274 9.223 1.00 1.01 H new ATOM 0 HB3 GLN A 46 -1.376 1.827 9.080 1.00 1.01 H new ATOM 0 HG2 GLN A 46 -1.591 2.985 11.300 1.00 1.26 H new ATOM 0 HG3 GLN A 46 -3.229 2.379 11.444 1.00 1.26 H new ATOM 0 HE21 GLN A 46 -1.694 1.663 13.499 1.00 2.26 H new ATOM 0 HE22 GLN A 46 -1.142 -0.010 13.377 1.00 2.26 H new ATOM 707 N ARG A 47 -0.933 4.253 7.589 1.00 0.80 N ATOM 708 CA ARG A 47 0.083 5.227 7.200 1.00 0.82 C ATOM 709 C ARG A 47 -0.506 6.286 6.275 1.00 0.79 C ATOM 710 O ARG A 47 -0.259 7.475 6.460 1.00 0.99 O ATOM 711 CB ARG A 47 1.267 4.501 6.558 1.00 0.81 C ATOM 712 CG ARG A 47 2.381 5.427 6.045 1.00 0.95 C ATOM 713 CD ARG A 47 3.526 4.567 5.492 1.00 1.09 C ATOM 714 NE ARG A 47 4.529 5.358 4.766 1.00 1.39 N ATOM 715 CZ ARG A 47 5.566 4.836 4.093 1.00 1.95 C ATOM 716 NH1 ARG A 47 6.393 5.639 3.422 1.00 2.59 N ATOM 717 NH2 ARG A 47 5.769 3.516 4.089 1.00 2.56 N ATOM 0 H ARG A 47 -1.001 3.455 6.957 1.00 0.80 H new ATOM 0 HA ARG A 47 0.443 5.749 8.087 1.00 0.82 H new ATOM 0 HB2 ARG A 47 1.692 3.811 7.287 1.00 0.81 H new ATOM 0 HB3 ARG A 47 0.900 3.900 5.726 1.00 0.81 H new ATOM 0 HG2 ARG A 47 1.995 6.086 5.267 1.00 0.95 H new ATOM 0 HG3 ARG A 47 2.743 6.064 6.852 1.00 0.95 H new ATOM 0 HD2 ARG A 47 4.010 4.041 6.315 1.00 1.09 H new ATOM 0 HD3 ARG A 47 3.116 3.808 4.826 1.00 1.09 H new ATOM 0 HE ARG A 47 4.430 6.373 4.774 1.00 1.39 H new ATOM 0 HH11 ARG A 47 6.236 6.647 3.421 1.00 2.59 H new ATOM 0 HH12 ARG A 47 7.182 5.245 2.910 1.00 2.59 H new ATOM 0 HH21 ARG A 47 5.135 2.901 4.599 1.00 2.56 H new ATOM 0 HH22 ARG A 47 6.558 3.123 3.576 1.00 2.56 H new ATOM 731 N LEU A 48 -1.253 5.882 5.245 1.00 0.71 N ATOM 732 CA LEU A 48 -1.725 6.834 4.250 1.00 0.81 C ATOM 733 C LEU A 48 -2.869 7.661 4.824 1.00 0.96 C ATOM 734 O LEU A 48 -3.173 8.705 4.267 1.00 1.50 O ATOM 735 CB LEU A 48 -2.147 6.161 2.931 1.00 0.80 C ATOM 736 CG LEU A 48 -0.996 5.704 2.016 1.00 0.76 C ATOM 737 CD1 LEU A 48 -0.187 6.887 1.480 1.00 0.95 C ATOM 738 CD2 LEU A 48 -0.041 4.720 2.696 1.00 0.74 C ATOM 0 H LEU A 48 -1.538 4.916 5.083 1.00 0.71 H new ATOM 0 HA LEU A 48 -0.888 7.489 4.007 1.00 0.81 H new ATOM 0 HB2 LEU A 48 -2.764 5.294 3.168 1.00 0.80 H new ATOM 0 HB3 LEU A 48 -2.775 6.857 2.374 1.00 0.80 H new ATOM 0 HG LEU A 48 -1.484 5.190 1.188 1.00 0.76 H new ATOM 0 HD11 LEU A 48 0.614 6.519 0.839 1.00 0.95 H new ATOM 0 HD12 LEU A 48 -0.840 7.543 0.904 1.00 0.95 H new ATOM 0 HD13 LEU A 48 0.241 7.443 2.314 1.00 0.95 H new ATOM 0 HD21 LEU A 48 0.747 4.437 1.998 1.00 0.74 H new ATOM 0 HD22 LEU A 48 0.403 5.191 3.573 1.00 0.74 H new ATOM 0 HD23 LEU A 48 -0.592 3.830 3.001 1.00 0.74 H new ATOM 750 N ILE A 49 -3.480 7.267 5.946 1.00 1.06 N ATOM 751 CA ILE A 49 -4.507 8.102 6.557 1.00 1.15 C ATOM 752 C ILE A 49 -3.970 9.474 6.986 1.00 0.84 C ATOM 753 O ILE A 49 -4.750 10.409 7.143 1.00 1.38 O ATOM 754 CB ILE A 49 -5.200 7.391 7.729 1.00 1.79 C ATOM 755 CG1 ILE A 49 -4.189 6.860 8.753 1.00 1.21 C ATOM 756 CG2 ILE A 49 -6.074 6.263 7.174 1.00 3.51 C ATOM 757 CD1 ILE A 49 -4.812 6.655 10.136 1.00 2.12 C ATOM 0 H ILE A 49 -3.284 6.395 6.437 1.00 1.06 H new ATOM 0 HA ILE A 49 -5.255 8.278 5.784 1.00 1.15 H new ATOM 0 HB ILE A 49 -5.825 8.109 8.259 1.00 1.79 H new ATOM 0 HG12 ILE A 49 -3.779 5.914 8.398 1.00 1.21 H new ATOM 0 HG13 ILE A 49 -3.356 7.558 8.833 1.00 1.21 H new ATOM 0 HG21 ILE A 49 -6.572 5.750 7.997 1.00 3.51 H new ATOM 0 HG22 ILE A 49 -6.823 6.680 6.501 1.00 3.51 H new ATOM 0 HG23 ILE A 49 -5.451 5.554 6.629 1.00 3.51 H new ATOM 0 HD11 ILE A 49 -4.055 6.278 10.824 1.00 2.12 H new ATOM 0 HD12 ILE A 49 -5.198 7.605 10.506 1.00 2.12 H new ATOM 0 HD13 ILE A 49 -5.628 5.935 10.065 1.00 2.12 H new ATOM 769 N THR A 50 -2.653 9.626 7.161 1.00 1.70 N ATOM 770 CA THR A 50 -2.055 10.917 7.476 1.00 2.11 C ATOM 771 C THR A 50 -1.249 11.408 6.269 1.00 2.00 C ATOM 772 O THR A 50 -0.235 12.088 6.427 1.00 2.84 O ATOM 773 CB THR A 50 -1.247 10.807 8.783 1.00 2.70 C ATOM 774 OG1 THR A 50 -0.724 12.063 9.156 1.00 3.21 O ATOM 775 CG2 THR A 50 -0.102 9.792 8.718 1.00 4.35 C ATOM 0 H THR A 50 -1.981 8.862 7.088 1.00 1.70 H new ATOM 0 HA THR A 50 -2.817 11.675 7.661 1.00 2.11 H new ATOM 0 HB THR A 50 -1.956 10.450 9.530 1.00 2.70 H new ATOM 0 HG1 THR A 50 -0.385 12.525 8.361 1.00 3.21 H new ATOM 0 HG21 THR A 50 0.420 9.771 9.674 1.00 4.35 H new ATOM 0 HG22 THR A 50 -0.505 8.802 8.503 1.00 4.35 H new ATOM 0 HG23 THR A 50 0.595 10.079 7.930 1.00 4.35 H new ATOM 783 N ASN A 51 -1.677 11.072 5.050 1.00 1.18 N ATOM 784 CA ASN A 51 -0.943 11.419 3.846 1.00 1.08 C ATOM 785 C ASN A 51 -1.910 11.474 2.661 1.00 0.93 C ATOM 786 O ASN A 51 -3.059 11.067 2.777 1.00 1.31 O ATOM 787 CB ASN A 51 0.161 10.375 3.621 1.00 1.23 C ATOM 788 CG ASN A 51 1.394 11.029 3.021 1.00 1.41 C ATOM 789 OD1 ASN A 51 1.303 11.706 2.008 1.00 1.61 O ATOM 790 ND2 ASN A 51 2.553 10.870 3.642 1.00 2.02 N ATOM 0 H ASN A 51 -2.539 10.554 4.877 1.00 1.18 H new ATOM 0 HA ASN A 51 -0.478 12.400 3.948 1.00 1.08 H new ATOM 0 HB2 ASN A 51 0.418 9.899 4.567 1.00 1.23 H new ATOM 0 HB3 ASN A 51 -0.202 9.590 2.957 1.00 1.23 H new ATOM 0 HD21 ASN A 51 3.393 11.317 3.276 1.00 2.02 H new ATOM 0 HD22 ASN A 51 2.605 10.300 4.486 1.00 2.02 H new ATOM 797 N LYS A 52 -1.473 11.985 1.513 1.00 1.01 N ATOM 798 CA LYS A 52 -2.207 11.867 0.261 1.00 1.19 C ATOM 799 C LYS A 52 -1.217 12.105 -0.867 1.00 1.25 C ATOM 800 O LYS A 52 -1.277 13.110 -1.563 1.00 1.86 O ATOM 801 CB LYS A 52 -3.419 12.820 0.180 1.00 1.67 C ATOM 802 CG LYS A 52 -3.196 14.217 0.778 1.00 2.91 C ATOM 803 CD LYS A 52 -3.935 14.328 2.117 1.00 3.03 C ATOM 804 CE LYS A 52 -3.483 15.559 2.898 1.00 4.37 C ATOM 805 NZ LYS A 52 -4.145 15.613 4.221 1.00 4.86 N ATOM 0 H LYS A 52 -0.594 12.495 1.427 1.00 1.01 H new ATOM 0 HA LYS A 52 -2.639 10.869 0.185 1.00 1.19 H new ATOM 0 HB2 LYS A 52 -3.703 12.932 -0.866 1.00 1.67 H new ATOM 0 HB3 LYS A 52 -4.262 12.354 0.691 1.00 1.67 H new ATOM 0 HG2 LYS A 52 -2.131 14.395 0.923 1.00 2.91 H new ATOM 0 HG3 LYS A 52 -3.556 14.980 0.088 1.00 2.91 H new ATOM 0 HD2 LYS A 52 -5.009 14.381 1.939 1.00 3.03 H new ATOM 0 HD3 LYS A 52 -3.754 13.432 2.710 1.00 3.03 H new ATOM 0 HE2 LYS A 52 -2.401 15.536 3.028 1.00 4.37 H new ATOM 0 HE3 LYS A 52 -3.717 16.461 2.332 1.00 4.37 H new ATOM 0 HZ1 LYS A 52 -3.824 16.458 4.736 1.00 4.86 H new ATOM 0 HZ2 LYS A 52 -5.176 15.658 4.092 1.00 4.86 H new ATOM 0 HZ3 LYS A 52 -3.901 14.762 4.766 1.00 4.86 H new ATOM 819 N LYS A 53 -0.290 11.172 -1.064 1.00 0.80 N ATOM 820 CA LYS A 53 0.532 11.165 -2.260 1.00 0.84 C ATOM 821 C LYS A 53 1.093 9.767 -2.474 1.00 0.64 C ATOM 822 O LYS A 53 1.144 8.973 -1.537 1.00 0.87 O ATOM 823 CB LYS A 53 1.675 12.187 -2.159 1.00 1.33 C ATOM 824 CG LYS A 53 2.444 12.067 -0.835 1.00 2.28 C ATOM 825 CD LYS A 53 3.931 12.422 -0.932 1.00 3.44 C ATOM 826 CE LYS A 53 4.191 13.929 -1.022 1.00 3.48 C ATOM 827 NZ LYS A 53 3.794 14.502 -2.326 1.00 3.69 N ATOM 0 H LYS A 53 -0.093 10.415 -0.410 1.00 0.80 H new ATOM 0 HA LYS A 53 -0.088 11.448 -3.111 1.00 0.84 H new ATOM 0 HB2 LYS A 53 2.364 12.043 -2.992 1.00 1.33 H new ATOM 0 HB3 LYS A 53 1.269 13.194 -2.252 1.00 1.33 H new ATOM 0 HG2 LYS A 53 1.975 12.717 -0.096 1.00 2.28 H new ATOM 0 HG3 LYS A 53 2.350 11.046 -0.466 1.00 2.28 H new ATOM 0 HD2 LYS A 53 4.450 12.022 -0.061 1.00 3.44 H new ATOM 0 HD3 LYS A 53 4.357 11.934 -1.809 1.00 3.44 H new ATOM 0 HE2 LYS A 53 3.645 14.435 -0.226 1.00 3.48 H new ATOM 0 HE3 LYS A 53 5.251 14.121 -0.853 1.00 3.48 H new ATOM 0 HZ1 LYS A 53 4.344 15.366 -2.508 1.00 3.69 H new ATOM 0 HZ2 LYS A 53 3.977 13.809 -3.080 1.00 3.69 H new ATOM 0 HZ3 LYS A 53 2.781 14.735 -2.309 1.00 3.69 H new ATOM 841 N CYS A 54 1.557 9.518 -3.692 1.00 0.66 N ATOM 842 CA CYS A 54 2.385 8.383 -4.059 1.00 0.70 C ATOM 843 C CYS A 54 3.787 8.949 -4.326 1.00 1.00 C ATOM 844 O CYS A 54 3.909 10.133 -4.659 1.00 0.98 O ATOM 845 CB CYS A 54 1.856 7.839 -5.395 1.00 0.73 C ATOM 846 SG CYS A 54 1.271 6.122 -5.343 1.00 0.98 S ATOM 0 H CYS A 54 1.356 10.130 -4.483 1.00 0.66 H new ATOM 0 HA CYS A 54 2.386 7.610 -3.291 1.00 0.70 H new ATOM 0 HB2 CYS A 54 1.038 8.476 -5.732 1.00 0.73 H new ATOM 0 HB3 CYS A 54 2.647 7.915 -6.141 1.00 0.73 H new ATOM 851 N PRO A 55 4.837 8.119 -4.297 1.00 1.61 N ATOM 852 CA PRO A 55 6.132 8.494 -4.832 1.00 2.22 C ATOM 853 C PRO A 55 6.022 8.566 -6.356 1.00 2.40 C ATOM 854 O PRO A 55 5.545 7.623 -6.981 1.00 3.90 O ATOM 855 CB PRO A 55 7.084 7.384 -4.384 1.00 3.06 C ATOM 856 CG PRO A 55 6.181 6.151 -4.321 1.00 2.95 C ATOM 857 CD PRO A 55 4.825 6.720 -3.899 1.00 2.07 C ATOM 0 HA PRO A 55 6.487 9.465 -4.486 1.00 2.22 H new ATOM 0 HB2 PRO A 55 7.903 7.247 -5.090 1.00 3.06 H new ATOM 0 HB3 PRO A 55 7.532 7.605 -3.415 1.00 3.06 H new ATOM 0 HG2 PRO A 55 6.122 5.648 -5.286 1.00 2.95 H new ATOM 0 HG3 PRO A 55 6.550 5.420 -3.602 1.00 2.95 H new ATOM 0 HD2 PRO A 55 4.009 6.183 -4.383 1.00 2.07 H new ATOM 0 HD3 PRO A 55 4.678 6.621 -2.823 1.00 2.07 H new ATOM 865 N ILE A 56 6.457 9.684 -6.942 1.00 2.15 N ATOM 866 CA ILE A 56 6.508 10.002 -8.373 1.00 2.63 C ATOM 867 C ILE A 56 5.207 9.882 -9.189 1.00 2.47 C ATOM 868 O ILE A 56 5.184 10.407 -10.298 1.00 3.32 O ATOM 869 CB ILE A 56 7.741 9.378 -9.065 1.00 3.43 C ATOM 870 CG1 ILE A 56 7.719 7.840 -9.103 1.00 3.43 C ATOM 871 CG2 ILE A 56 9.016 9.888 -8.374 1.00 4.06 C ATOM 872 CD1 ILE A 56 8.811 7.264 -10.014 1.00 4.35 C ATOM 0 H ILE A 56 6.813 10.457 -6.380 1.00 2.15 H new ATOM 0 HA ILE A 56 6.634 11.085 -8.370 1.00 2.63 H new ATOM 0 HB ILE A 56 7.720 9.694 -10.108 1.00 3.43 H new ATOM 0 HG12 ILE A 56 7.850 7.452 -8.093 1.00 3.43 H new ATOM 0 HG13 ILE A 56 6.743 7.501 -9.451 1.00 3.43 H new ATOM 0 HG21 ILE A 56 9.891 9.452 -8.857 1.00 4.06 H new ATOM 0 HG22 ILE A 56 9.062 10.974 -8.452 1.00 4.06 H new ATOM 0 HG23 ILE A 56 9.000 9.600 -7.323 1.00 4.06 H new ATOM 0 HD11 ILE A 56 8.754 6.176 -10.007 1.00 4.35 H new ATOM 0 HD12 ILE A 56 8.666 7.628 -11.031 1.00 4.35 H new ATOM 0 HD13 ILE A 56 9.790 7.578 -9.652 1.00 4.35 H new ATOM 884 N CYS A 57 4.104 9.317 -8.679 1.00 1.76 N ATOM 885 CA CYS A 57 2.830 9.372 -9.395 1.00 1.77 C ATOM 886 C CYS A 57 2.304 10.819 -9.387 1.00 1.83 C ATOM 887 O CYS A 57 1.619 11.233 -10.317 1.00 2.76 O ATOM 888 CB CYS A 57 1.790 8.453 -8.724 1.00 1.62 C ATOM 889 SG CYS A 57 2.426 6.757 -8.460 1.00 1.42 S ATOM 0 H CYS A 57 4.071 8.824 -7.786 1.00 1.76 H new ATOM 0 HA CYS A 57 2.990 9.035 -10.419 1.00 1.77 H new ATOM 0 HB2 CYS A 57 1.495 8.881 -7.766 1.00 1.62 H new ATOM 0 HB3 CYS A 57 0.894 8.410 -9.343 1.00 1.62 H new ATOM 894 N ARG A 58 2.581 11.581 -8.317 1.00 1.32 N ATOM 895 CA ARG A 58 2.042 12.929 -8.094 1.00 1.35 C ATOM 896 C ARG A 58 0.508 12.923 -8.137 1.00 1.29 C ATOM 897 O ARG A 58 -0.111 13.879 -8.598 1.00 1.71 O ATOM 898 CB ARG A 58 2.687 13.925 -9.086 1.00 1.63 C ATOM 899 CG ARG A 58 3.244 15.184 -8.406 1.00 1.70 C ATOM 900 CD ARG A 58 2.179 16.181 -7.932 1.00 2.73 C ATOM 901 NE ARG A 58 2.824 17.348 -7.302 1.00 2.93 N ATOM 902 CZ ARG A 58 2.248 18.532 -7.048 1.00 4.14 C ATOM 903 NH1 ARG A 58 2.970 19.518 -6.509 1.00 4.32 N ATOM 904 NH2 ARG A 58 0.962 18.730 -7.330 1.00 5.49 N ATOM 0 H ARG A 58 3.199 11.269 -7.568 1.00 1.32 H new ATOM 0 HA ARG A 58 2.305 13.268 -7.092 1.00 1.35 H new ATOM 0 HB2 ARG A 58 3.493 13.423 -9.622 1.00 1.63 H new ATOM 0 HB3 ARG A 58 1.945 14.219 -9.829 1.00 1.63 H new ATOM 0 HG2 ARG A 58 3.846 14.881 -7.549 1.00 1.70 H new ATOM 0 HG3 ARG A 58 3.912 15.691 -9.102 1.00 1.70 H new ATOM 0 HD2 ARG A 58 1.570 16.504 -8.776 1.00 2.73 H new ATOM 0 HD3 ARG A 58 1.508 15.698 -7.221 1.00 2.73 H new ATOM 0 HE ARG A 58 3.803 17.245 -7.034 1.00 2.93 H new ATOM 0 HH11 ARG A 58 3.955 19.369 -6.292 1.00 4.32 H new ATOM 0 HH12 ARG A 58 2.536 20.420 -6.314 1.00 4.32 H new ATOM 0 HH21 ARG A 58 0.409 17.979 -7.742 1.00 5.49 H new ATOM 0 HH22 ARG A 58 0.530 19.633 -7.134 1.00 5.49 H new ATOM 918 N VAL A 59 -0.089 11.870 -7.577 1.00 0.97 N ATOM 919 CA VAL A 59 -1.524 11.654 -7.478 1.00 0.93 C ATOM 920 C VAL A 59 -1.839 11.531 -5.991 1.00 0.74 C ATOM 921 O VAL A 59 -1.112 10.849 -5.265 1.00 0.60 O ATOM 922 CB VAL A 59 -1.891 10.374 -8.255 1.00 0.95 C ATOM 923 CG1 VAL A 59 -3.311 9.868 -7.972 1.00 1.16 C ATOM 924 CG2 VAL A 59 -1.775 10.600 -9.765 1.00 1.23 C ATOM 0 H VAL A 59 0.447 11.109 -7.160 1.00 0.97 H new ATOM 0 HA VAL A 59 -2.104 12.470 -7.909 1.00 0.93 H new ATOM 0 HB VAL A 59 -1.181 9.622 -7.910 1.00 0.95 H new ATOM 0 HG11 VAL A 59 -3.498 8.965 -8.553 1.00 1.16 H new ATOM 0 HG12 VAL A 59 -3.412 9.643 -6.910 1.00 1.16 H new ATOM 0 HG13 VAL A 59 -4.033 10.635 -8.251 1.00 1.16 H new ATOM 0 HG21 VAL A 59 -2.039 9.683 -10.292 1.00 1.23 H new ATOM 0 HG22 VAL A 59 -2.452 11.399 -10.066 1.00 1.23 H new ATOM 0 HG23 VAL A 59 -0.751 10.879 -10.014 1.00 1.23 H new ATOM 934 N ASP A 60 -2.898 12.202 -5.543 1.00 0.90 N ATOM 935 CA ASP A 60 -3.385 12.128 -4.176 1.00 0.93 C ATOM 936 C ASP A 60 -4.114 10.798 -3.988 1.00 0.95 C ATOM 937 O ASP A 60 -4.851 10.349 -4.862 1.00 1.03 O ATOM 938 CB ASP A 60 -4.338 13.297 -3.888 1.00 1.19 C ATOM 939 CG ASP A 60 -3.610 14.641 -3.830 1.00 1.76 C ATOM 940 OD1 ASP A 60 -3.042 15.025 -4.879 1.00 2.21 O ATOM 941 OD2 ASP A 60 -3.640 15.271 -2.750 1.00 2.98 O ATOM 0 H ASP A 60 -3.449 12.823 -6.135 1.00 0.90 H new ATOM 0 HA ASP A 60 -2.546 12.192 -3.483 1.00 0.93 H new ATOM 0 HB2 ASP A 60 -5.106 13.336 -4.661 1.00 1.19 H new ATOM 0 HB3 ASP A 60 -4.848 13.122 -2.941 1.00 1.19 H new ATOM 946 N ILE A 61 -3.893 10.145 -2.846 1.00 0.94 N ATOM 947 CA ILE A 61 -4.368 8.797 -2.576 1.00 0.94 C ATOM 948 C ILE A 61 -5.718 8.825 -1.861 1.00 1.29 C ATOM 949 O ILE A 61 -6.477 7.862 -1.912 1.00 1.45 O ATOM 950 CB ILE A 61 -3.316 8.102 -1.697 1.00 0.74 C ATOM 951 CG1 ILE A 61 -1.894 8.254 -2.247 1.00 0.59 C ATOM 952 CG2 ILE A 61 -3.632 6.624 -1.511 1.00 0.68 C ATOM 953 CD1 ILE A 61 -1.801 7.918 -3.727 1.00 0.60 C ATOM 0 H ILE A 61 -3.368 10.551 -2.071 1.00 0.94 H new ATOM 0 HA ILE A 61 -4.508 8.257 -3.512 1.00 0.94 H new ATOM 0 HB ILE A 61 -3.359 8.603 -0.730 1.00 0.74 H new ATOM 0 HG12 ILE A 61 -1.554 9.278 -2.088 1.00 0.59 H new ATOM 0 HG13 ILE A 61 -1.221 7.605 -1.688 1.00 0.59 H new ATOM 0 HG21 ILE A 61 -2.868 6.165 -0.884 1.00 0.68 H new ATOM 0 HG22 ILE A 61 -4.606 6.517 -1.033 1.00 0.68 H new ATOM 0 HG23 ILE A 61 -3.649 6.131 -2.483 1.00 0.68 H new ATOM 0 HD11 ILE A 61 -0.772 8.043 -4.064 1.00 0.60 H new ATOM 0 HD12 ILE A 61 -2.113 6.886 -3.886 1.00 0.60 H new ATOM 0 HD13 ILE A 61 -2.452 8.585 -4.293 1.00 0.60 H new ATOM 965 N GLU A 62 -5.985 9.920 -1.157 1.00 1.46 N ATOM 966 CA GLU A 62 -7.093 10.085 -0.235 1.00 2.00 C ATOM 967 C GLU A 62 -7.763 11.392 -0.660 1.00 2.76 C ATOM 968 O GLU A 62 -7.065 12.333 -1.040 1.00 3.63 O ATOM 969 CB GLU A 62 -6.516 10.099 1.192 1.00 3.17 C ATOM 970 CG GLU A 62 -7.540 9.823 2.296 1.00 3.89 C ATOM 971 CD GLU A 62 -8.654 10.864 2.313 1.00 3.76 C ATOM 972 OE1 GLU A 62 -8.397 12.014 2.728 1.00 4.54 O ATOM 973 OE2 GLU A 62 -9.748 10.514 1.818 1.00 3.83 O ATOM 0 H GLU A 62 -5.403 10.755 -1.220 1.00 1.46 H new ATOM 0 HA GLU A 62 -7.837 9.288 -0.249 1.00 2.00 H new ATOM 0 HB2 GLU A 62 -5.722 9.355 1.256 1.00 3.17 H new ATOM 0 HB3 GLU A 62 -6.057 11.071 1.375 1.00 3.17 H new ATOM 0 HG2 GLU A 62 -7.971 8.832 2.151 1.00 3.89 H new ATOM 0 HG3 GLU A 62 -7.037 9.814 3.263 1.00 3.89 H new ATOM 980 N ALA A 63 -9.097 11.427 -0.695 1.00 3.01 N ATOM 981 CA ALA A 63 -9.849 12.502 -1.323 1.00 4.06 C ATOM 982 C ALA A 63 -11.226 12.658 -0.672 1.00 4.45 C ATOM 983 O ALA A 63 -12.212 12.909 -1.363 1.00 4.96 O ATOM 984 CB ALA A 63 -9.985 12.180 -2.818 1.00 4.47 C ATOM 0 H ALA A 63 -9.685 10.702 -0.284 1.00 3.01 H new ATOM 0 HA ALA A 63 -9.323 13.448 -1.193 1.00 4.06 H new ATOM 0 HB1 ALA A 63 -10.546 12.973 -3.311 1.00 4.47 H new ATOM 0 HB2 ALA A 63 -8.994 12.104 -3.266 1.00 4.47 H new ATOM 0 HB3 ALA A 63 -10.511 11.233 -2.940 1.00 4.47 H new ATOM 990 N GLN A 64 -11.316 12.521 0.652 1.00 4.84 N ATOM 991 CA GLN A 64 -12.590 12.482 1.356 1.00 5.27 C ATOM 992 C GLN A 64 -12.534 13.432 2.550 1.00 6.19 C ATOM 993 O GLN A 64 -12.778 13.038 3.692 1.00 7.18 O ATOM 994 CB GLN A 64 -12.890 11.037 1.774 1.00 6.14 C ATOM 995 CG GLN A 64 -14.354 10.861 2.201 1.00 6.77 C ATOM 996 CD GLN A 64 -14.516 9.643 3.101 1.00 8.02 C ATOM 997 OE1 GLN A 64 -15.080 8.628 2.710 1.00 8.35 O ATOM 998 NE2 GLN A 64 -14.027 9.737 4.331 1.00 9.11 N ATOM 0 H GLN A 64 -10.504 12.434 1.263 1.00 4.84 H new ATOM 0 HA GLN A 64 -13.402 12.814 0.709 1.00 5.27 H new ATOM 0 HB2 GLN A 64 -12.670 10.365 0.944 1.00 6.14 H new ATOM 0 HB3 GLN A 64 -12.234 10.753 2.597 1.00 6.14 H new ATOM 0 HG2 GLN A 64 -14.693 11.754 2.726 1.00 6.77 H new ATOM 0 HG3 GLN A 64 -14.984 10.752 1.318 1.00 6.77 H new ATOM 0 HE21 GLN A 64 -13.562 10.594 4.631 1.00 9.11 H new ATOM 0 HE22 GLN A 64 -14.116 8.952 4.977 1.00 9.11 H new ATOM 1007 N LEU A 65 -12.265 14.710 2.272 1.00 6.44 N ATOM 1008 CA LEU A 65 -12.299 15.769 3.268 1.00 7.71 C ATOM 1009 C LEU A 65 -13.366 16.773 2.834 1.00 7.72 C ATOM 1010 O LEU A 65 -13.186 17.433 1.812 1.00 8.10 O ATOM 1011 CB LEU A 65 -10.918 16.440 3.401 1.00 8.99 C ATOM 1012 CG LEU A 65 -10.372 16.313 4.829 1.00 10.08 C ATOM 1013 CD1 LEU A 65 -9.874 14.889 5.096 1.00 10.30 C ATOM 1014 CD2 LEU A 65 -9.218 17.295 5.039 1.00 11.37 C ATOM 0 H LEU A 65 -12.016 15.036 1.338 1.00 6.44 H new ATOM 0 HA LEU A 65 -12.545 15.364 4.250 1.00 7.71 H new ATOM 0 HB2 LEU A 65 -10.220 15.982 2.700 1.00 8.99 H new ATOM 0 HB3 LEU A 65 -10.996 17.493 3.131 1.00 8.99 H new ATOM 0 HG LEU A 65 -11.182 16.542 5.522 1.00 10.08 H new ATOM 0 HD11 LEU A 65 -9.491 14.822 6.114 1.00 10.30 H new ATOM 0 HD12 LEU A 65 -10.698 14.186 4.971 1.00 10.30 H new ATOM 0 HD13 LEU A 65 -9.078 14.644 4.393 1.00 10.30 H new ATOM 0 HD21 LEU A 65 -8.837 17.197 6.056 1.00 11.37 H new ATOM 0 HD22 LEU A 65 -8.420 17.075 4.330 1.00 11.37 H new ATOM 0 HD23 LEU A 65 -9.573 18.313 4.881 1.00 11.37 H new ATOM 1026 N PRO A 66 -14.486 16.877 3.562 1.00 7.93 N ATOM 1027 CA PRO A 66 -15.469 17.924 3.343 1.00 8.61 C ATOM 1028 C PRO A 66 -14.959 19.227 3.975 1.00 9.55 C ATOM 1029 O PRO A 66 -13.800 19.322 4.374 1.00 10.05 O ATOM 1030 CB PRO A 66 -16.736 17.389 4.020 1.00 8.90 C ATOM 1031 CG PRO A 66 -16.179 16.616 5.213 1.00 8.97 C ATOM 1032 CD PRO A 66 -14.879 16.024 4.670 1.00 8.22 C ATOM 0 HA PRO A 66 -15.659 18.155 2.295 1.00 8.61 H new ATOM 0 HB2 PRO A 66 -17.399 18.196 4.334 1.00 8.90 H new ATOM 0 HB3 PRO A 66 -17.310 16.746 3.353 1.00 8.90 H new ATOM 0 HG2 PRO A 66 -15.998 17.269 6.067 1.00 8.97 H new ATOM 0 HG3 PRO A 66 -16.867 15.839 5.546 1.00 8.97 H new ATOM 0 HD2 PRO A 66 -14.108 16.003 5.440 1.00 8.22 H new ATOM 0 HD3 PRO A 66 -15.026 14.996 4.339 1.00 8.22 H new ATOM 1040 N SER A 67 -15.832 20.228 4.100 1.00 10.27 N ATOM 1041 CA SER A 67 -15.556 21.427 4.872 1.00 11.37 C ATOM 1042 C SER A 67 -16.832 21.810 5.614 1.00 11.64 C ATOM 1043 O SER A 67 -17.908 21.293 5.311 1.00 11.60 O ATOM 1044 CB SER A 67 -15.098 22.560 3.948 1.00 12.70 C ATOM 1045 OG SER A 67 -14.686 23.674 4.716 1.00 13.73 O ATOM 0 H SER A 67 -16.754 20.224 3.664 1.00 10.27 H new ATOM 0 HA SER A 67 -14.753 21.245 5.587 1.00 11.37 H new ATOM 0 HB2 SER A 67 -14.276 22.218 3.319 1.00 12.70 H new ATOM 0 HB3 SER A 67 -15.911 22.848 3.282 1.00 12.70 H new ATOM 0 HG SER A 67 -15.129 24.482 4.384 1.00 13.73 H new ATOM 1051 N GLU A 68 -16.709 22.740 6.554 1.00 12.28 N ATOM 1052 CA GLU A 68 -17.813 23.290 7.327 1.00 12.90 C ATOM 1053 C GLU A 68 -17.730 24.820 7.356 1.00 14.14 C ATOM 1054 O GLU A 68 -18.310 25.471 8.222 1.00 15.18 O ATOM 1055 CB GLU A 68 -17.806 22.665 8.728 1.00 12.80 C ATOM 1056 CG GLU A 68 -16.510 22.951 9.506 1.00 13.11 C ATOM 1057 CD GLU A 68 -15.814 21.653 9.919 1.00 12.60 C ATOM 1058 OE1 GLU A 68 -16.185 21.116 10.986 1.00 12.89 O ATOM 1059 OE2 GLU A 68 -14.929 21.212 9.151 1.00 12.33 O ATOM 0 H GLU A 68 -15.807 23.144 6.806 1.00 12.28 H new ATOM 0 HA GLU A 68 -18.766 23.042 6.859 1.00 12.90 H new ATOM 0 HB2 GLU A 68 -18.655 23.047 9.295 1.00 12.80 H new ATOM 0 HB3 GLU A 68 -17.940 21.587 8.640 1.00 12.80 H new ATOM 0 HG2 GLU A 68 -15.837 23.547 8.890 1.00 13.11 H new ATOM 0 HG3 GLU A 68 -16.738 23.542 10.393 1.00 13.11 H new ATOM 1066 N SER A 69 -17.004 25.407 6.402 1.00 14.32 N ATOM 1067 CA SER A 69 -16.928 26.833 6.119 1.00 15.73 C ATOM 1068 C SER A 69 -16.556 26.994 4.648 1.00 16.14 C ATOM 1069 O SER A 69 -16.773 28.106 4.127 1.00 17.16 O ATOM 1070 CB SER A 69 -15.861 27.499 6.988 1.00 16.44 C ATOM 1071 OG SER A 69 -16.258 27.509 8.346 1.00 16.73 O ATOM 1072 OXT SER A 69 -16.049 25.997 4.080 1.00 15.69 O ATOM 0 H SER A 69 -16.419 24.861 5.770 1.00 14.32 H new ATOM 0 HA SER A 69 -17.886 27.305 6.336 1.00 15.73 H new ATOM 0 HB2 SER A 69 -14.916 26.967 6.884 1.00 16.44 H new ATOM 0 HB3 SER A 69 -15.691 28.520 6.646 1.00 16.44 H new ATOM 0 HG SER A 69 -17.055 26.950 8.458 1.00 16.73 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.777 -4.182 6.411 1.00 0.70 ZN HETATM 1080 ZN ZN A 102 1.241 5.211 -7.341 1.00 0.97 ZN