USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 12 THR OG1 : rot -155:sc= 0.103 USER MOD Set 1.2: A 50 GLN : amide:sc= 1.11 K(o=1.2,f=0.094) USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.0857 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.563 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 0.272 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 38 SER OG : rot -85:sc= 0.575 USER MOD Single : A 39 GLN : amide:sc=-0.00538 K(o=-0.0054,f=-0.82) USER MOD Single : A 42 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.0014) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.0535 (180deg=-0.201) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.733 15.817 14.604 1.00 0.00 N ATOM 2 CA SER A 1 2.426 16.698 13.474 1.00 0.00 C ATOM 3 C SER A 1 2.685 15.934 12.176 1.00 0.00 C ATOM 4 O SER A 1 3.695 15.234 12.059 1.00 0.00 O ATOM 5 CB SER A 1 3.228 18.000 13.602 1.00 0.00 C ATOM 6 OG SER A 1 4.582 17.757 13.947 1.00 0.00 O ATOM 0 H1 SER A 1 2.096 16.034 15.397 1.00 0.00 H new ATOM 0 H2 SER A 1 2.603 14.826 14.317 1.00 0.00 H new ATOM 0 H3 SER A 1 3.719 15.965 14.902 1.00 0.00 H new ATOM 0 HA SER A 1 1.376 16.992 13.468 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.186 18.546 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.769 18.636 14.359 1.00 0.00 H new ATOM 0 HG SER A 1 5.060 18.610 14.017 1.00 0.00 H new ATOM 12 N ALA A 2 1.751 15.974 11.218 1.00 0.00 N ATOM 13 CA ALA A 2 1.847 15.193 9.983 1.00 0.00 C ATOM 14 C ALA A 2 2.992 15.714 9.103 1.00 0.00 C ATOM 15 O ALA A 2 3.263 16.913 9.139 1.00 0.00 O ATOM 16 CB ALA A 2 0.514 15.286 9.226 1.00 0.00 C ATOM 0 H ALA A 2 0.910 16.548 11.279 1.00 0.00 H new ATOM 0 HA ALA A 2 2.056 14.153 10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.578 14.707 8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.287 14.889 9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.304 16.328 8.986 1.00 0.00 H new ATOM 22 N PRO A 3 3.607 14.884 8.242 1.00 0.00 N ATOM 23 CA PRO A 3 4.693 15.327 7.370 1.00 0.00 C ATOM 24 C PRO A 3 4.183 16.049 6.106 1.00 0.00 C ATOM 25 O PRO A 3 4.987 16.504 5.289 1.00 0.00 O ATOM 26 CB PRO A 3 5.460 14.039 7.050 1.00 0.00 C ATOM 27 CG PRO A 3 4.360 12.978 7.020 1.00 0.00 C ATOM 28 CD PRO A 3 3.409 13.444 8.124 1.00 0.00 C ATOM 0 HA PRO A 3 5.327 16.074 7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.981 14.107 6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.212 13.819 7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.864 12.937 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.754 11.981 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.374 13.212 7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.628 12.941 9.066 1.00 0.00 H new ATOM 36 N GLY A 4 2.865 16.134 5.887 1.00 0.00 N ATOM 37 CA GLY A 4 2.255 16.850 4.771 1.00 0.00 C ATOM 38 C GLY A 4 2.687 16.284 3.420 1.00 0.00 C ATOM 39 O GLY A 4 2.397 15.124 3.124 1.00 0.00 O ATOM 0 H GLY A 4 2.179 15.693 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.170 16.796 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.527 17.904 4.825 1.00 0.00 H new ATOM 43 N GLY A 5 3.392 17.080 2.612 1.00 0.00 N ATOM 44 CA GLY A 5 3.853 16.714 1.281 1.00 0.00 C ATOM 45 C GLY A 5 2.704 16.893 0.298 1.00 0.00 C ATOM 46 O GLY A 5 1.890 15.978 0.128 1.00 0.00 O ATOM 0 H GLY A 5 3.664 18.026 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.699 17.337 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.200 15.681 1.272 1.00 0.00 H new ATOM 50 N LYS A 6 2.576 18.089 -0.287 1.00 0.00 N ATOM 51 CA LYS A 6 1.498 18.432 -1.214 1.00 0.00 C ATOM 52 C LYS A 6 1.784 17.907 -2.624 1.00 0.00 C ATOM 53 O LYS A 6 2.075 18.691 -3.532 1.00 0.00 O ATOM 54 CB LYS A 6 1.216 19.945 -1.206 1.00 0.00 C ATOM 55 CG LYS A 6 0.658 20.426 0.141 1.00 0.00 C ATOM 56 CD LYS A 6 -0.014 21.799 0.011 1.00 0.00 C ATOM 57 CE LYS A 6 -0.844 22.104 1.260 1.00 0.00 C ATOM 58 NZ LYS A 6 -1.462 23.446 1.207 1.00 0.00 N ATOM 0 H LYS A 6 3.229 18.855 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 6 0.591 17.935 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.136 20.485 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.506 20.184 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.063 19.701 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.465 20.482 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.743 22.570 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.653 21.817 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.624 21.351 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.208 22.033 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.014 23.608 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.718 24.168 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.090 23.507 0.380 1.00 0.00 H new ATOM 72 N SER A 7 1.633 16.596 -2.801 1.00 0.00 N ATOM 73 CA SER A 7 1.343 15.948 -4.073 1.00 0.00 C ATOM 74 C SER A 7 0.430 14.758 -3.774 1.00 0.00 C ATOM 75 O SER A 7 0.840 13.819 -3.083 1.00 0.00 O ATOM 76 CB SER A 7 2.617 15.530 -4.833 1.00 0.00 C ATOM 77 OG SER A 7 3.763 15.384 -4.012 1.00 0.00 O ATOM 0 H SER A 7 1.713 15.932 -2.030 1.00 0.00 H new ATOM 0 HA SER A 7 0.845 16.650 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.428 14.586 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.828 16.273 -5.602 1.00 0.00 H new ATOM 0 HG SER A 7 4.528 15.117 -4.563 1.00 0.00 H new ATOM 83 N ARG A 8 -0.835 14.800 -4.212 1.00 0.00 N ATOM 84 CA ARG A 8 -1.753 13.668 -4.056 1.00 0.00 C ATOM 85 C ARG A 8 -2.896 13.794 -5.054 1.00 0.00 C ATOM 86 O ARG A 8 -3.781 14.623 -4.842 1.00 0.00 O ATOM 87 CB ARG A 8 -2.266 13.586 -2.595 1.00 0.00 C ATOM 88 CG ARG A 8 -2.533 12.141 -2.156 1.00 0.00 C ATOM 89 CD ARG A 8 -3.898 11.567 -2.577 1.00 0.00 C ATOM 90 NE ARG A 8 -4.875 11.573 -1.474 1.00 0.00 N ATOM 91 CZ ARG A 8 -4.816 10.829 -0.362 1.00 0.00 C ATOM 92 NH1 ARG A 8 -3.805 10.000 -0.146 1.00 0.00 N ATOM 93 NH2 ARG A 8 -5.783 10.904 0.542 1.00 0.00 N ATOM 0 H ARG A 8 -1.245 15.609 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.225 12.738 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.531 14.037 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.183 14.168 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.748 11.504 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.454 12.088 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.292 12.148 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.765 10.546 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.672 12.203 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.055 9.921 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.777 9.441 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.574 11.530 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.735 10.336 1.388 1.00 0.00 H new ATOM 107 N ARG A 9 -2.894 13.005 -6.129 1.00 0.00 N ATOM 108 CA ARG A 9 -4.065 12.887 -7.003 1.00 0.00 C ATOM 109 C ARG A 9 -5.120 12.057 -6.275 1.00 0.00 C ATOM 110 O ARG A 9 -4.821 10.913 -5.927 1.00 0.00 O ATOM 111 CB ARG A 9 -3.662 12.235 -8.340 1.00 0.00 C ATOM 112 CG ARG A 9 -3.103 13.286 -9.308 1.00 0.00 C ATOM 113 CD ARG A 9 -2.570 12.689 -10.615 1.00 0.00 C ATOM 114 NE ARG A 9 -1.237 12.091 -10.447 1.00 0.00 N ATOM 115 CZ ARG A 9 -0.578 11.381 -11.366 1.00 0.00 C ATOM 116 NH1 ARG A 9 -1.082 11.214 -12.579 1.00 0.00 N ATOM 117 NH2 ARG A 9 0.605 10.855 -11.065 1.00 0.00 N ATOM 0 H ARG A 9 -2.096 12.438 -6.416 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.475 13.871 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.914 11.462 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.527 11.745 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.886 14.008 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.301 13.834 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.264 11.930 -10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.524 13.468 -11.377 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.775 12.231 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.982 11.630 -12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.570 10.670 -13.273 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.004 10.995 -10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.114 10.312 -11.762 1.00 0.00 H new ATOM 131 N ARG A 10 -6.316 12.590 -6.003 1.00 0.00 N ATOM 132 CA ARG A 10 -7.402 11.830 -5.387 1.00 0.00 C ATOM 133 C ARG A 10 -8.012 10.932 -6.451 1.00 0.00 C ATOM 134 O ARG A 10 -8.790 11.390 -7.293 1.00 0.00 O ATOM 135 CB ARG A 10 -8.453 12.735 -4.719 1.00 0.00 C ATOM 136 CG ARG A 10 -9.575 11.877 -4.096 1.00 0.00 C ATOM 137 CD ARG A 10 -10.241 12.547 -2.890 1.00 0.00 C ATOM 138 NE ARG A 10 -11.109 11.607 -2.160 1.00 0.00 N ATOM 139 CZ ARG A 10 -12.445 11.581 -2.118 1.00 0.00 C ATOM 140 NH1 ARG A 10 -13.168 12.492 -2.758 1.00 0.00 N ATOM 141 NH2 ARG A 10 -13.045 10.627 -1.419 1.00 0.00 N ATOM 0 H ARG A 10 -6.556 13.561 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.000 11.221 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.981 13.345 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.875 13.420 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.331 11.671 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.162 10.916 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.475 12.933 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.829 13.401 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.631 10.886 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.705 13.227 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.186 12.457 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.488 9.930 -0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.063 10.591 -1.375 1.00 0.00 H new ATOM 155 N ARG A 11 -7.655 9.655 -6.415 1.00 0.00 N ATOM 156 CA ARG A 11 -8.116 8.622 -7.342 1.00 0.00 C ATOM 157 C ARG A 11 -8.891 7.495 -6.633 1.00 0.00 C ATOM 158 O ARG A 11 -9.131 6.447 -7.246 1.00 0.00 O ATOM 159 CB ARG A 11 -6.917 8.178 -8.211 1.00 0.00 C ATOM 160 CG ARG A 11 -7.267 7.179 -9.326 1.00 0.00 C ATOM 161 CD ARG A 11 -6.321 7.234 -10.523 1.00 0.00 C ATOM 162 NE ARG A 11 -6.670 6.220 -11.535 1.00 0.00 N ATOM 163 CZ ARG A 11 -6.309 6.246 -12.824 1.00 0.00 C ATOM 164 NH1 ARG A 11 -5.586 7.260 -13.280 1.00 0.00 N ATOM 165 NH2 ARG A 11 -6.643 5.254 -13.649 1.00 0.00 N ATOM 0 H ARG A 11 -7.011 9.293 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.868 9.022 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.466 9.062 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.163 7.730 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.257 6.170 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.283 7.373 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.359 8.226 -10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.297 7.076 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.236 5.430 -11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.309 8.013 -12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.307 7.287 -14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.181 4.460 -13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.361 5.288 -14.629 1.00 0.00 H new ATOM 179 N THR A 12 -9.280 7.647 -5.361 1.00 0.00 N ATOM 180 CA THR A 12 -10.112 6.655 -4.680 1.00 0.00 C ATOM 181 C THR A 12 -11.007 7.284 -3.610 1.00 0.00 C ATOM 182 O THR A 12 -10.778 8.410 -3.162 1.00 0.00 O ATOM 183 CB THR A 12 -9.213 5.548 -4.106 1.00 0.00 C ATOM 184 OG1 THR A 12 -9.993 4.472 -3.638 1.00 0.00 O ATOM 185 CG2 THR A 12 -8.343 6.008 -2.944 1.00 0.00 C ATOM 0 H THR A 12 -9.030 8.450 -4.784 1.00 0.00 H new ATOM 0 HA THR A 12 -10.793 6.213 -5.407 1.00 0.00 H new ATOM 0 HB THR A 12 -8.565 5.253 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.499 3.987 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.736 5.174 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.691 6.816 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.978 6.364 -2.133 1.00 0.00 H new ATOM 193 N ALA A 13 -11.972 6.493 -3.138 1.00 0.00 N ATOM 194 CA ALA A 13 -12.969 6.790 -2.119 1.00 0.00 C ATOM 195 C ALA A 13 -12.768 5.911 -0.877 1.00 0.00 C ATOM 196 O ALA A 13 -13.741 5.544 -0.218 1.00 0.00 O ATOM 197 CB ALA A 13 -14.357 6.600 -2.732 1.00 0.00 C ATOM 0 H ALA A 13 -12.082 5.544 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.864 7.822 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.118 6.818 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.477 7.276 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.467 5.570 -3.072 1.00 0.00 H new ATOM 203 N PHE A 14 -11.522 5.526 -0.580 1.00 0.00 N ATOM 204 CA PHE A 14 -11.191 4.920 0.699 1.00 0.00 C ATOM 205 C PHE A 14 -10.727 6.020 1.675 1.00 0.00 C ATOM 206 O PHE A 14 -10.398 7.145 1.268 1.00 0.00 O ATOM 207 CB PHE A 14 -10.116 3.837 0.515 1.00 0.00 C ATOM 208 CG PHE A 14 -10.277 2.793 -0.582 1.00 0.00 C ATOM 209 CD1 PHE A 14 -11.541 2.277 -0.926 1.00 0.00 C ATOM 210 CD2 PHE A 14 -9.124 2.221 -1.156 1.00 0.00 C ATOM 211 CE1 PHE A 14 -11.657 1.206 -1.827 1.00 0.00 C ATOM 212 CE2 PHE A 14 -9.232 1.116 -2.020 1.00 0.00 C ATOM 213 CZ PHE A 14 -10.501 0.601 -2.343 1.00 0.00 C ATOM 0 H PHE A 14 -10.730 5.627 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.073 4.434 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.167 4.346 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.026 3.304 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.431 2.709 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.152 2.633 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.633 0.849 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.343 0.664 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.585 -0.261 -2.989 1.00 0.00 H new ATOM 223 N THR A 15 -10.639 5.659 2.951 1.00 0.00 N ATOM 224 CA THR A 15 -10.379 6.485 4.133 1.00 0.00 C ATOM 225 C THR A 15 -9.163 5.889 4.831 1.00 0.00 C ATOM 226 O THR A 15 -8.878 4.709 4.626 1.00 0.00 O ATOM 227 CB THR A 15 -11.620 6.535 5.065 1.00 0.00 C ATOM 228 OG1 THR A 15 -11.292 6.577 6.433 1.00 0.00 O ATOM 229 CG2 THR A 15 -12.548 5.341 4.873 1.00 0.00 C ATOM 0 H THR A 15 -10.760 4.681 3.213 1.00 0.00 H new ATOM 0 HA THR A 15 -10.179 7.519 3.851 1.00 0.00 H new ATOM 0 HB THR A 15 -12.119 7.460 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.114 6.609 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.398 5.428 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.905 5.319 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.006 4.420 5.089 1.00 0.00 H new ATOM 237 N SER A 16 -8.509 6.645 5.719 1.00 0.00 N ATOM 238 CA SER A 16 -7.425 6.120 6.538 1.00 0.00 C ATOM 239 C SER A 16 -7.889 4.918 7.363 1.00 0.00 C ATOM 240 O SER A 16 -7.076 4.075 7.743 1.00 0.00 O ATOM 241 CB SER A 16 -6.879 7.232 7.433 1.00 0.00 C ATOM 242 OG SER A 16 -7.663 7.457 8.592 1.00 0.00 O ATOM 0 H SER A 16 -8.718 7.629 5.885 1.00 0.00 H new ATOM 0 HA SER A 16 -6.625 5.769 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.862 6.980 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.821 8.156 6.858 1.00 0.00 H new ATOM 0 HG SER A 16 -7.263 8.177 9.123 1.00 0.00 H new ATOM 248 N GLU A 17 -9.194 4.861 7.637 1.00 0.00 N ATOM 249 CA GLU A 17 -9.771 3.972 8.625 1.00 0.00 C ATOM 250 C GLU A 17 -9.893 2.565 8.017 1.00 0.00 C ATOM 251 O GLU A 17 -9.523 1.562 8.624 1.00 0.00 O ATOM 252 CB GLU A 17 -11.105 4.627 9.024 1.00 0.00 C ATOM 253 CG GLU A 17 -11.461 4.454 10.498 1.00 0.00 C ATOM 254 CD GLU A 17 -12.778 5.164 10.838 1.00 0.00 C ATOM 255 OE1 GLU A 17 -12.820 6.412 10.930 1.00 0.00 O ATOM 256 OE2 GLU A 17 -13.805 4.472 11.024 1.00 0.00 O ATOM 0 H GLU A 17 -9.884 5.445 7.165 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.169 3.836 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.059 5.691 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.903 4.203 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.546 3.393 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.659 4.854 11.118 1.00 0.00 H new ATOM 263 N GLN A 18 -10.339 2.517 6.760 1.00 0.00 N ATOM 264 CA GLN A 18 -10.412 1.333 5.905 1.00 0.00 C ATOM 265 C GLN A 18 -9.022 0.968 5.355 1.00 0.00 C ATOM 266 O GLN A 18 -8.772 -0.187 5.017 1.00 0.00 O ATOM 267 CB GLN A 18 -11.344 1.679 4.730 1.00 0.00 C ATOM 268 CG GLN A 18 -12.790 2.042 5.129 1.00 0.00 C ATOM 269 CD GLN A 18 -13.702 0.842 5.275 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.099 0.462 6.367 1.00 0.00 O ATOM 271 NE2 GLN A 18 -14.097 0.246 4.166 1.00 0.00 N ATOM 0 H GLN A 18 -10.679 3.353 6.285 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.783 0.482 6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.914 2.516 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.374 0.830 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.771 2.589 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.206 2.714 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.757 0.574 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.742 -0.543 4.213 1.00 0.00 H new ATOM 280 N LEU A 19 -8.118 1.947 5.233 1.00 0.00 N ATOM 281 CA LEU A 19 -6.742 1.754 4.774 1.00 0.00 C ATOM 282 C LEU A 19 -5.870 1.087 5.823 1.00 0.00 C ATOM 283 O LEU A 19 -4.780 0.652 5.455 1.00 0.00 O ATOM 284 CB LEU A 19 -6.090 3.110 4.435 1.00 0.00 C ATOM 285 CG LEU A 19 -6.068 3.524 2.957 1.00 0.00 C ATOM 286 CD1 LEU A 19 -7.303 3.128 2.149 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.886 5.047 2.888 1.00 0.00 C ATOM 0 H LEU A 19 -8.331 2.919 5.457 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.806 1.113 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.611 3.886 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.062 3.091 4.797 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.241 2.980 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.188 3.466 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.416 2.044 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.188 3.591 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.867 5.364 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.714 5.536 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.947 5.323 3.368 1.00 0.00 H new ATOM 299 N LEU A 20 -6.287 1.040 7.094 1.00 0.00 N ATOM 300 CA LEU A 20 -5.399 0.660 8.174 1.00 0.00 C ATOM 301 C LEU A 20 -4.920 -0.755 7.898 1.00 0.00 C ATOM 302 O LEU A 20 -3.727 -0.991 7.779 1.00 0.00 O ATOM 303 CB LEU A 20 -6.125 0.814 9.525 1.00 0.00 C ATOM 304 CG LEU A 20 -5.228 1.464 10.586 1.00 0.00 C ATOM 305 CD1 LEU A 20 -6.066 1.900 11.793 1.00 0.00 C ATOM 306 CD2 LEU A 20 -4.097 0.537 11.045 1.00 0.00 C ATOM 0 H LEU A 20 -7.238 1.263 7.389 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.524 1.308 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.022 1.418 9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.451 -0.165 9.876 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.767 2.336 10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.418 2.360 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.818 2.621 11.472 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.559 1.030 12.227 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.492 1.045 11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.522 -0.370 11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.472 0.276 10.191 1.00 0.00 H new ATOM 318 N GLU A 21 -5.875 -1.651 7.668 1.00 0.00 N ATOM 319 CA GLU A 21 -5.716 -3.074 7.403 1.00 0.00 C ATOM 320 C GLU A 21 -4.917 -3.307 6.112 1.00 0.00 C ATOM 321 O GLU A 21 -4.110 -4.227 6.018 1.00 0.00 O ATOM 322 CB GLU A 21 -7.124 -3.691 7.294 1.00 0.00 C ATOM 323 CG GLU A 21 -8.074 -3.252 8.423 1.00 0.00 C ATOM 324 CD GLU A 21 -7.497 -3.546 9.806 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.326 -4.732 10.164 1.00 0.00 O ATOM 326 OE2 GLU A 21 -7.178 -2.566 10.518 1.00 0.00 O ATOM 0 H GLU A 21 -6.858 -1.377 7.662 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.158 -3.546 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.560 -3.414 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.038 -4.778 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.274 -2.184 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.029 -3.765 8.313 1.00 0.00 H new ATOM 333 N LEU A 22 -5.161 -2.453 5.117 1.00 0.00 N ATOM 334 CA LEU A 22 -4.598 -2.446 3.766 1.00 0.00 C ATOM 335 C LEU A 22 -3.095 -2.139 3.776 1.00 0.00 C ATOM 336 O LEU A 22 -2.364 -2.562 2.873 1.00 0.00 O ATOM 337 CB LEU A 22 -5.394 -1.379 2.969 1.00 0.00 C ATOM 338 CG LEU A 22 -5.948 -1.755 1.585 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.842 -0.617 1.086 1.00 0.00 C ATOM 340 CD2 LEU A 22 -4.879 -1.995 0.534 1.00 0.00 C ATOM 0 H LEU A 22 -5.815 -1.681 5.247 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.689 -3.429 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.234 -1.063 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.748 -0.511 2.842 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.490 -2.691 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.241 -0.872 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.665 -0.468 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.257 0.300 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.352 -2.255 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.285 -1.090 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.232 -2.812 0.853 1.00 0.00 H new ATOM 352 N GLU A 23 -2.643 -1.423 4.801 1.00 0.00 N ATOM 353 CA GLU A 23 -1.243 -1.140 5.084 1.00 0.00 C ATOM 354 C GLU A 23 -0.697 -2.136 6.106 1.00 0.00 C ATOM 355 O GLU A 23 0.458 -2.540 6.002 1.00 0.00 O ATOM 356 CB GLU A 23 -1.095 0.298 5.630 1.00 0.00 C ATOM 357 CG GLU A 23 -1.262 1.384 4.556 1.00 0.00 C ATOM 358 CD GLU A 23 -0.012 1.619 3.696 1.00 0.00 C ATOM 359 OE1 GLU A 23 0.400 0.731 2.906 1.00 0.00 O ATOM 360 OE2 GLU A 23 0.542 2.750 3.702 1.00 0.00 O ATOM 0 H GLU A 23 -3.272 -1.006 5.487 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.675 -1.234 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.835 0.458 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.113 0.403 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.091 1.109 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.536 2.320 5.042 1.00 0.00 H new ATOM 367 N LYS A 24 -1.522 -2.567 7.063 1.00 0.00 N ATOM 368 CA LYS A 24 -1.177 -3.505 8.130 1.00 0.00 C ATOM 369 C LYS A 24 -0.629 -4.803 7.545 1.00 0.00 C ATOM 370 O LYS A 24 0.314 -5.365 8.091 1.00 0.00 O ATOM 371 CB LYS A 24 -2.441 -3.748 8.971 1.00 0.00 C ATOM 372 CG LYS A 24 -2.267 -4.255 10.405 1.00 0.00 C ATOM 373 CD LYS A 24 -3.680 -4.334 11.013 1.00 0.00 C ATOM 374 CE LYS A 24 -3.709 -4.636 12.511 1.00 0.00 C ATOM 375 NZ LYS A 24 -5.107 -4.727 12.987 1.00 0.00 N ATOM 0 H LYS A 24 -2.492 -2.257 7.116 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.393 -3.093 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.998 -2.812 9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.064 -4.466 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.785 -5.232 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.633 -3.581 10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.191 -3.388 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.245 -5.105 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.187 -5.572 12.711 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.181 -3.854 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.114 -4.933 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.593 -3.824 12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.599 -5.489 12.477 1.00 0.00 H new ATOM 389 N GLU A 25 -1.141 -5.254 6.400 1.00 0.00 N ATOM 390 CA GLU A 25 -0.617 -6.440 5.730 1.00 0.00 C ATOM 391 C GLU A 25 0.864 -6.302 5.346 1.00 0.00 C ATOM 392 O GLU A 25 1.561 -7.316 5.335 1.00 0.00 O ATOM 393 CB GLU A 25 -1.489 -6.786 4.511 1.00 0.00 C ATOM 394 CG GLU A 25 -2.542 -7.834 4.877 1.00 0.00 C ATOM 395 CD GLU A 25 -2.005 -9.228 5.231 1.00 0.00 C ATOM 396 OE1 GLU A 25 -1.566 -9.975 4.340 1.00 0.00 O ATOM 397 OE2 GLU A 25 -2.111 -9.612 6.428 1.00 0.00 O ATOM 0 H GLU A 25 -1.923 -4.812 5.916 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.663 -7.265 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.979 -5.885 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.861 -7.162 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.118 -7.462 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.234 -7.934 4.040 1.00 0.00 H new ATOM 404 N PHE A 26 1.399 -5.092 5.116 1.00 0.00 N ATOM 405 CA PHE A 26 2.837 -4.920 4.880 1.00 0.00 C ATOM 406 C PHE A 26 3.678 -5.319 6.097 1.00 0.00 C ATOM 407 O PHE A 26 4.869 -5.608 5.936 1.00 0.00 O ATOM 408 CB PHE A 26 3.204 -3.499 4.406 1.00 0.00 C ATOM 409 CG PHE A 26 3.449 -3.378 2.917 1.00 0.00 C ATOM 410 CD1 PHE A 26 2.390 -3.553 2.009 1.00 0.00 C ATOM 411 CD2 PHE A 26 4.739 -3.088 2.433 1.00 0.00 C ATOM 412 CE1 PHE A 26 2.645 -3.510 0.626 1.00 0.00 C ATOM 413 CE2 PHE A 26 4.972 -3.000 1.051 1.00 0.00 C ATOM 414 CZ PHE A 26 3.929 -3.219 0.141 1.00 0.00 C ATOM 0 H PHE A 26 0.860 -4.226 5.089 1.00 0.00 H new ATOM 0 HA PHE A 26 3.080 -5.603 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.401 -2.817 4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.098 -3.172 4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.386 -3.720 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.552 -2.933 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.843 -3.703 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.961 -2.762 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.112 -3.164 -0.922 1.00 0.00 H new ATOM 424 N HIS A 27 3.089 -5.352 7.295 1.00 0.00 N ATOM 425 CA HIS A 27 3.763 -5.799 8.504 1.00 0.00 C ATOM 426 C HIS A 27 3.686 -7.325 8.637 1.00 0.00 C ATOM 427 O HIS A 27 4.518 -7.897 9.343 1.00 0.00 O ATOM 428 CB HIS A 27 3.156 -5.076 9.713 1.00 0.00 C ATOM 429 CG HIS A 27 3.669 -5.514 11.058 1.00 0.00 C ATOM 430 ND1 HIS A 27 2.943 -6.245 11.966 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.886 -5.231 11.619 1.00 0.00 C ATOM 432 CE1 HIS A 27 3.694 -6.382 13.067 1.00 0.00 C ATOM 433 NE2 HIS A 27 4.885 -5.773 12.910 1.00 0.00 N ATOM 0 H HIS A 27 2.122 -5.065 7.448 1.00 0.00 H new ATOM 0 HA HIS A 27 4.822 -5.547 8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.340 -4.007 9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.075 -5.217 9.693 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.696 -4.690 11.152 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.386 -6.909 13.958 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.638 -5.718 13.596 1.00 0.00 H new ATOM 441 N CYS A 28 2.757 -7.998 7.948 1.00 0.00 N ATOM 442 CA CYS A 28 2.711 -9.453 7.880 1.00 0.00 C ATOM 443 C CYS A 28 3.700 -9.957 6.823 1.00 0.00 C ATOM 444 O CYS A 28 4.468 -10.889 7.074 1.00 0.00 O ATOM 445 CB CYS A 28 1.280 -9.922 7.558 1.00 0.00 C ATOM 446 SG CYS A 28 0.996 -11.568 8.272 1.00 0.00 S ATOM 0 H CYS A 28 2.014 -7.540 7.420 1.00 0.00 H new ATOM 0 HA CYS A 28 2.997 -9.867 8.847 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.556 -9.212 7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.132 -9.953 6.479 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.214 -11.957 7.999 1.00 0.00 H new ATOM 452 N LYS A 29 3.674 -9.374 5.623 1.00 0.00 N ATOM 453 CA LYS A 29 4.335 -9.898 4.425 1.00 0.00 C ATOM 454 C LYS A 29 4.655 -8.745 3.484 1.00 0.00 C ATOM 455 O LYS A 29 3.993 -7.711 3.557 1.00 0.00 O ATOM 456 CB LYS A 29 3.383 -10.926 3.772 1.00 0.00 C ATOM 457 CG LYS A 29 2.019 -10.331 3.363 1.00 0.00 C ATOM 458 CD LYS A 29 0.929 -11.350 2.990 1.00 0.00 C ATOM 459 CE LYS A 29 1.343 -12.504 2.064 1.00 0.00 C ATOM 460 NZ LYS A 29 1.668 -13.735 2.818 1.00 0.00 N ATOM 0 H LYS A 29 3.178 -8.499 5.452 1.00 0.00 H new ATOM 0 HA LYS A 29 5.275 -10.392 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.866 -11.347 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.217 -11.749 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.650 -9.718 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.174 -9.666 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.536 -11.779 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.109 -10.811 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.536 -12.712 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.208 -12.202 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.536 -14.159 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.812 -13.500 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.884 -14.413 2.730 1.00 0.00 H new ATOM 474 N LYS A 30 5.609 -8.892 2.558 1.00 0.00 N ATOM 475 CA LYS A 30 5.916 -7.825 1.593 1.00 0.00 C ATOM 476 C LYS A 30 5.072 -7.937 0.315 1.00 0.00 C ATOM 477 O LYS A 30 5.283 -7.170 -0.627 1.00 0.00 O ATOM 478 CB LYS A 30 7.426 -7.770 1.279 1.00 0.00 C ATOM 479 CG LYS A 30 8.025 -6.352 1.345 1.00 0.00 C ATOM 480 CD LYS A 30 7.443 -5.325 0.364 1.00 0.00 C ATOM 481 CE LYS A 30 7.984 -5.428 -1.062 1.00 0.00 C ATOM 482 NZ LYS A 30 9.314 -4.803 -1.184 1.00 0.00 N ATOM 0 H LYS A 30 6.179 -9.732 2.455 1.00 0.00 H new ATOM 0 HA LYS A 30 5.643 -6.880 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.957 -8.411 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.595 -8.180 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.894 -5.971 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.098 -6.425 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.360 -5.442 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.646 -4.324 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.046 -6.476 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.290 -4.946 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.650 -4.891 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.249 -3.797 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.982 -5.280 -0.545 1.00 0.00 H new ATOM 496 N TYR A 31 4.126 -8.861 0.210 1.00 0.00 N ATOM 497 CA TYR A 31 3.465 -9.117 -1.061 1.00 0.00 C ATOM 498 C TYR A 31 2.075 -9.673 -0.787 1.00 0.00 C ATOM 499 O TYR A 31 1.859 -10.317 0.230 1.00 0.00 O ATOM 500 CB TYR A 31 4.399 -10.027 -1.864 1.00 0.00 C ATOM 501 CG TYR A 31 4.760 -11.317 -1.141 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.883 -12.422 -1.148 1.00 0.00 C ATOM 503 CD2 TYR A 31 5.938 -11.371 -0.375 1.00 0.00 C ATOM 504 CE1 TYR A 31 4.152 -13.551 -0.350 1.00 0.00 C ATOM 505 CE2 TYR A 31 6.213 -12.495 0.417 1.00 0.00 C ATOM 506 CZ TYR A 31 5.312 -13.576 0.457 1.00 0.00 C ATOM 507 OH TYR A 31 5.595 -14.621 1.275 1.00 0.00 O ATOM 0 H TYR A 31 3.802 -9.441 0.984 1.00 0.00 H new ATOM 0 HA TYR A 31 3.293 -8.225 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.925 -10.273 -2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.314 -9.482 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.000 -12.402 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.633 -10.544 -0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.476 -14.393 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.121 -12.532 1.000 1.00 0.00 H new ATOM 0 HH TYR A 31 6.437 -14.449 1.746 1.00 0.00 H new ATOM 517 N LEU A 32 1.107 -9.377 -1.647 1.00 0.00 N ATOM 518 CA LEU A 32 -0.306 -9.681 -1.467 1.00 0.00 C ATOM 519 C LEU A 32 -0.769 -10.360 -2.751 1.00 0.00 C ATOM 520 O LEU A 32 -1.023 -9.698 -3.759 1.00 0.00 O ATOM 521 CB LEU A 32 -1.133 -8.411 -1.137 1.00 0.00 C ATOM 522 CG LEU A 32 -1.428 -8.162 0.356 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.134 -6.822 0.600 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.237 -9.259 1.025 1.00 0.00 C ATOM 0 H LEU A 32 1.295 -8.897 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.457 -10.341 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.602 -7.544 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.083 -8.472 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.438 -8.149 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.318 -6.697 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.503 -6.008 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.083 -6.808 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.399 -9.004 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.199 -9.359 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.694 -10.202 0.961 1.00 0.00 H new ATOM 536 N SER A 33 -0.815 -11.690 -2.718 1.00 0.00 N ATOM 537 CA SER A 33 -1.339 -12.552 -3.770 1.00 0.00 C ATOM 538 C SER A 33 -2.823 -12.282 -4.011 1.00 0.00 C ATOM 539 O SER A 33 -3.456 -11.610 -3.204 1.00 0.00 O ATOM 540 CB SER A 33 -1.159 -14.012 -3.338 1.00 0.00 C ATOM 541 OG SER A 33 0.005 -14.194 -2.552 1.00 0.00 O ATOM 0 H SER A 33 -0.471 -12.220 -1.917 1.00 0.00 H new ATOM 0 HA SER A 33 -0.798 -12.351 -4.695 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.033 -14.332 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.102 -14.647 -4.222 1.00 0.00 H new ATOM 0 HG SER A 33 0.083 -15.137 -2.296 1.00 0.00 H new ATOM 547 N LEU A 34 -3.424 -12.865 -5.054 1.00 0.00 N ATOM 548 CA LEU A 34 -4.829 -12.613 -5.384 1.00 0.00 C ATOM 549 C LEU A 34 -5.768 -13.019 -4.240 1.00 0.00 C ATOM 550 O LEU A 34 -6.634 -12.218 -3.890 1.00 0.00 O ATOM 551 CB LEU A 34 -5.215 -13.307 -6.705 1.00 0.00 C ATOM 552 CG LEU A 34 -4.933 -12.485 -7.982 1.00 0.00 C ATOM 553 CD1 LEU A 34 -5.805 -11.226 -8.079 1.00 0.00 C ATOM 554 CD2 LEU A 34 -3.458 -12.097 -8.123 1.00 0.00 C ATOM 0 H LEU A 34 -2.957 -13.516 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.946 -11.538 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.675 -14.252 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.277 -13.548 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.193 -13.150 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.565 -10.687 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.857 -11.512 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.614 -10.584 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.319 -11.521 -9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.157 -11.495 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.847 -12.999 -8.166 1.00 0.00 H new ATOM 566 N THR A 35 -5.576 -14.208 -3.650 1.00 0.00 N ATOM 567 CA THR A 35 -6.356 -14.708 -2.511 1.00 0.00 C ATOM 568 C THR A 35 -6.207 -13.804 -1.283 1.00 0.00 C ATOM 569 O THR A 35 -7.126 -13.670 -0.479 1.00 0.00 O ATOM 570 CB THR A 35 -5.864 -16.121 -2.125 1.00 0.00 C ATOM 571 OG1 THR A 35 -5.539 -16.897 -3.268 1.00 0.00 O ATOM 572 CG2 THR A 35 -6.894 -16.881 -1.283 1.00 0.00 C ATOM 0 H THR A 35 -4.858 -14.863 -3.959 1.00 0.00 H new ATOM 0 HA THR A 35 -7.402 -14.726 -2.816 1.00 0.00 H new ATOM 0 HB THR A 35 -4.965 -15.969 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.230 -17.783 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.504 -17.868 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.092 -16.329 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.819 -16.987 -1.849 1.00 0.00 H new ATOM 580 N GLU A 36 -5.019 -13.224 -1.119 1.00 0.00 N ATOM 581 CA GLU A 36 -4.656 -12.429 0.037 1.00 0.00 C ATOM 582 C GLU A 36 -5.267 -11.033 -0.147 1.00 0.00 C ATOM 583 O GLU A 36 -5.876 -10.475 0.762 1.00 0.00 O ATOM 584 CB GLU A 36 -3.124 -12.369 0.146 1.00 0.00 C ATOM 585 CG GLU A 36 -2.355 -13.703 0.129 1.00 0.00 C ATOM 586 CD GLU A 36 -2.181 -14.337 1.510 1.00 0.00 C ATOM 587 OE1 GLU A 36 -3.181 -14.530 2.232 1.00 0.00 O ATOM 588 OE2 GLU A 36 -1.030 -14.685 1.868 1.00 0.00 O ATOM 0 H GLU A 36 -4.269 -13.300 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.036 -12.865 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.753 -11.757 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.873 -11.848 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.880 -14.405 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.371 -13.538 -0.311 1.00 0.00 H new ATOM 595 N ARG A 37 -5.164 -10.462 -1.355 1.00 0.00 N ATOM 596 CA ARG A 37 -5.724 -9.156 -1.669 1.00 0.00 C ATOM 597 C ARG A 37 -7.241 -9.156 -1.465 1.00 0.00 C ATOM 598 O ARG A 37 -7.800 -8.112 -1.099 1.00 0.00 O ATOM 599 CB ARG A 37 -5.429 -8.733 -3.125 1.00 0.00 C ATOM 600 CG ARG A 37 -4.301 -7.700 -3.284 1.00 0.00 C ATOM 601 CD ARG A 37 -4.254 -6.548 -2.263 1.00 0.00 C ATOM 602 NE ARG A 37 -5.585 -6.206 -1.732 1.00 0.00 N ATOM 603 CZ ARG A 37 -5.887 -5.577 -0.602 1.00 0.00 C ATOM 604 NH1 ARG A 37 -4.942 -5.012 0.128 1.00 0.00 N ATOM 605 NH2 ARG A 37 -7.156 -5.533 -0.226 1.00 0.00 N ATOM 0 H ARG A 37 -4.686 -10.902 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.250 -8.445 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.172 -9.622 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.340 -8.324 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.349 -8.229 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.379 -7.265 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.598 -6.826 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.818 -5.667 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.378 -6.489 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.969 -5.056 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.185 -4.531 0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.874 -5.976 -0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.416 -5.056 0.638 1.00 0.00 H new ATOM 619 N SER A 38 -7.910 -10.271 -1.758 1.00 0.00 N ATOM 620 CA SER A 38 -9.346 -10.390 -1.610 1.00 0.00 C ATOM 621 C SER A 38 -9.763 -10.520 -0.140 1.00 0.00 C ATOM 622 O SER A 38 -10.954 -10.361 0.126 1.00 0.00 O ATOM 623 CB SER A 38 -9.861 -11.525 -2.508 1.00 0.00 C ATOM 624 OG SER A 38 -9.108 -12.705 -2.359 1.00 0.00 O ATOM 0 H SER A 38 -7.461 -11.118 -2.106 1.00 0.00 H new ATOM 0 HA SER A 38 -9.823 -9.470 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.905 -11.730 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.829 -11.205 -3.549 1.00 0.00 H new ATOM 0 HG SER A 38 -8.325 -12.670 -2.947 1.00 0.00 H new ATOM 630 N GLN A 39 -8.839 -10.725 0.815 1.00 0.00 N ATOM 631 CA GLN A 39 -9.168 -10.730 2.236 1.00 0.00 C ATOM 632 C GLN A 39 -9.573 -9.316 2.659 1.00 0.00 C ATOM 633 O GLN A 39 -10.757 -9.094 2.896 1.00 0.00 O ATOM 634 CB GLN A 39 -8.028 -11.271 3.108 1.00 0.00 C ATOM 635 CG GLN A 39 -7.634 -12.722 2.808 1.00 0.00 C ATOM 636 CD GLN A 39 -6.775 -13.351 3.910 1.00 0.00 C ATOM 637 OE1 GLN A 39 -6.526 -12.791 4.978 1.00 0.00 O ATOM 638 NE2 GLN A 39 -6.286 -14.558 3.698 1.00 0.00 N ATOM 0 H GLN A 39 -7.852 -10.890 0.617 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.004 -11.412 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.153 -10.635 2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.321 -11.196 4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.537 -13.318 2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.088 -12.757 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.480 -15.040 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.714 -15.009 4.412 1.00 0.00 H new ATOM 647 N ILE A 40 -8.647 -8.343 2.717 1.00 0.00 N ATOM 648 CA ILE A 40 -8.974 -6.959 3.103 1.00 0.00 C ATOM 649 C ILE A 40 -10.105 -6.392 2.236 1.00 0.00 C ATOM 650 O ILE A 40 -10.980 -5.697 2.759 1.00 0.00 O ATOM 651 CB ILE A 40 -7.740 -6.032 3.064 1.00 0.00 C ATOM 652 CG1 ILE A 40 -6.766 -6.219 4.239 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.092 -4.529 3.044 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.338 -6.272 3.704 1.00 0.00 C ATOM 0 H ILE A 40 -7.661 -8.491 2.500 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.318 -6.996 4.137 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.266 -6.335 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.871 -5.398 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.999 -7.137 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.175 -3.941 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.691 -4.307 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.659 -4.276 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.643 -6.405 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.240 -7.108 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.109 -5.341 3.184 1.00 0.00 H new ATOM 666 N ALA A 41 -10.091 -6.631 0.915 1.00 0.00 N ATOM 667 CA ALA A 41 -11.122 -6.081 0.046 1.00 0.00 C ATOM 668 C ALA A 41 -12.531 -6.494 0.509 1.00 0.00 C ATOM 669 O ALA A 41 -13.447 -5.666 0.479 1.00 0.00 O ATOM 670 CB ALA A 41 -10.844 -6.462 -1.408 1.00 0.00 C ATOM 0 H ALA A 41 -9.386 -7.193 0.439 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.091 -4.993 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.621 -6.045 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.874 -6.065 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.838 -7.548 -1.505 1.00 0.00 H new ATOM 676 N HIS A 42 -12.676 -7.720 1.016 1.00 0.00 N ATOM 677 CA HIS A 42 -13.907 -8.303 1.531 1.00 0.00 C ATOM 678 C HIS A 42 -14.011 -8.127 3.060 1.00 0.00 C ATOM 679 O HIS A 42 -15.030 -8.481 3.650 1.00 0.00 O ATOM 680 CB HIS A 42 -13.905 -9.788 1.107 1.00 0.00 C ATOM 681 CG HIS A 42 -15.192 -10.576 1.205 1.00 0.00 C ATOM 682 ND1 HIS A 42 -15.349 -11.875 0.765 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.409 -10.153 1.669 1.00 0.00 C ATOM 684 CE1 HIS A 42 -16.633 -12.225 0.951 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.313 -11.212 1.524 1.00 0.00 N ATOM 0 H HIS A 42 -11.889 -8.366 1.080 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.784 -7.800 1.123 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.567 -9.835 0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.157 -10.302 1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -16.632 -9.177 2.074 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.059 -13.180 0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.295 -11.216 1.799 1.00 0.00 H new ATOM 693 N ALA A 43 -13.004 -7.565 3.735 1.00 0.00 N ATOM 694 CA ALA A 43 -12.945 -7.485 5.181 1.00 0.00 C ATOM 695 C ALA A 43 -13.717 -6.271 5.639 1.00 0.00 C ATOM 696 O ALA A 43 -14.205 -6.261 6.769 1.00 0.00 O ATOM 697 CB ALA A 43 -11.496 -7.343 5.657 1.00 0.00 C ATOM 0 H ALA A 43 -12.196 -7.147 3.274 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.372 -8.398 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.475 -7.285 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.919 -8.207 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.062 -6.436 5.236 1.00 0.00 H new ATOM 703 N LEU A 44 -13.800 -5.239 4.786 1.00 0.00 N ATOM 704 CA LEU A 44 -14.471 -4.020 5.168 1.00 0.00 C ATOM 705 C LEU A 44 -15.615 -3.730 4.203 1.00 0.00 C ATOM 706 O LEU A 44 -16.715 -4.237 4.419 1.00 0.00 O ATOM 707 CB LEU A 44 -13.441 -2.882 5.288 1.00 0.00 C ATOM 708 CG LEU A 44 -12.292 -3.111 6.300 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.920 -3.064 5.609 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.395 -2.111 7.448 1.00 0.00 C ATOM 0 H LEU A 44 -13.412 -5.237 3.843 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.931 -4.121 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.004 -2.709 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.968 -1.970 5.567 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.392 -4.111 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.135 -3.228 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.870 -3.841 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.781 -2.089 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.582 -2.282 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.327 -1.097 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.350 -2.239 7.958 1.00 0.00 H new ATOM 722 N LYS A 45 -15.356 -3.020 3.103 1.00 0.00 N ATOM 723 CA LYS A 45 -16.349 -2.519 2.148 1.00 0.00 C ATOM 724 C LYS A 45 -15.710 -2.213 0.775 1.00 0.00 C ATOM 725 O LYS A 45 -16.300 -1.490 -0.022 1.00 0.00 O ATOM 726 CB LYS A 45 -17.026 -1.236 2.698 1.00 0.00 C ATOM 727 CG LYS A 45 -17.805 -1.330 4.009 1.00 0.00 C ATOM 728 CD LYS A 45 -17.014 -0.767 5.207 1.00 0.00 C ATOM 729 CE LYS A 45 -17.977 -0.456 6.331 1.00 0.00 C ATOM 730 NZ LYS A 45 -18.312 -1.634 7.149 1.00 0.00 N ATOM 0 H LYS A 45 -14.404 -2.766 2.841 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.097 -3.300 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.251 -0.480 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.708 -0.866 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.744 -0.786 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.059 -2.372 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.269 -1.490 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.475 0.134 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.543 0.312 6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.893 -0.040 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.974 -1.357 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.753 -2.359 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.445 -2.018 7.575 1.00 0.00 H new ATOM 744 N LEU A 46 -14.459 -2.621 0.526 1.00 0.00 N ATOM 745 CA LEU A 46 -13.657 -2.075 -0.575 1.00 0.00 C ATOM 746 C LEU A 46 -13.949 -2.829 -1.878 1.00 0.00 C ATOM 747 O LEU A 46 -14.671 -3.831 -1.902 1.00 0.00 O ATOM 748 CB LEU A 46 -12.147 -2.101 -0.249 1.00 0.00 C ATOM 749 CG LEU A 46 -11.673 -1.087 0.810 1.00 0.00 C ATOM 750 CD1 LEU A 46 -12.097 -1.536 2.200 1.00 0.00 C ATOM 751 CD2 LEU A 46 -10.153 -0.978 0.814 1.00 0.00 C ATOM 0 H LEU A 46 -13.978 -3.332 1.077 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.942 -1.031 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.885 -3.103 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.592 -1.922 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.121 -0.125 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.755 -0.810 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.184 -1.612 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.657 -2.509 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.842 -0.256 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.719 -1.952 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.809 -0.648 -0.166 1.00 0.00 H new ATOM 763 N SER A 47 -13.357 -2.358 -2.976 1.00 0.00 N ATOM 764 CA SER A 47 -13.594 -2.826 -4.332 1.00 0.00 C ATOM 765 C SER A 47 -12.269 -3.375 -4.872 1.00 0.00 C ATOM 766 O SER A 47 -11.315 -2.607 -5.011 1.00 0.00 O ATOM 767 CB SER A 47 -14.134 -1.673 -5.204 1.00 0.00 C ATOM 768 OG SER A 47 -14.708 -0.611 -4.451 1.00 0.00 O ATOM 0 H SER A 47 -12.669 -1.606 -2.937 1.00 0.00 H new ATOM 0 HA SER A 47 -14.346 -3.615 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.321 -1.278 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.884 -2.068 -5.890 1.00 0.00 H new ATOM 0 HG SER A 47 -15.029 0.086 -5.061 1.00 0.00 H new ATOM 774 N GLU A 48 -12.181 -4.672 -5.182 1.00 0.00 N ATOM 775 CA GLU A 48 -10.983 -5.288 -5.773 1.00 0.00 C ATOM 776 C GLU A 48 -10.564 -4.605 -7.085 1.00 0.00 C ATOM 777 O GLU A 48 -9.395 -4.653 -7.455 1.00 0.00 O ATOM 778 CB GLU A 48 -11.220 -6.781 -6.046 1.00 0.00 C ATOM 779 CG GLU A 48 -11.181 -7.666 -4.797 1.00 0.00 C ATOM 780 CD GLU A 48 -11.332 -9.129 -5.207 1.00 0.00 C ATOM 781 OE1 GLU A 48 -10.306 -9.795 -5.468 1.00 0.00 O ATOM 782 OE2 GLU A 48 -12.486 -9.590 -5.381 1.00 0.00 O ATOM 0 H GLU A 48 -12.944 -5.332 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.180 -5.162 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.189 -6.900 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.466 -7.133 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.241 -7.521 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.981 -7.384 -4.113 1.00 0.00 H new ATOM 789 N VAL A 49 -11.489 -3.943 -7.793 1.00 0.00 N ATOM 790 CA VAL A 49 -11.139 -3.105 -8.939 1.00 0.00 C ATOM 791 C VAL A 49 -10.152 -2.026 -8.498 1.00 0.00 C ATOM 792 O VAL A 49 -9.080 -1.889 -9.078 1.00 0.00 O ATOM 793 CB VAL A 49 -12.398 -2.482 -9.574 1.00 0.00 C ATOM 794 CG1 VAL A 49 -12.007 -1.574 -10.750 1.00 0.00 C ATOM 795 CG2 VAL A 49 -13.345 -3.574 -10.075 1.00 0.00 C ATOM 0 H VAL A 49 -12.488 -3.974 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.666 -3.725 -9.701 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.905 -1.891 -8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.905 -1.141 -11.189 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.356 -0.776 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.481 -2.161 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.228 -3.114 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.836 -4.182 -10.823 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.647 -4.205 -9.239 1.00 0.00 H new ATOM 805 N GLN A 50 -10.503 -1.261 -7.466 1.00 0.00 N ATOM 806 CA GLN A 50 -9.687 -0.179 -6.967 1.00 0.00 C ATOM 807 C GLN A 50 -8.343 -0.700 -6.460 1.00 0.00 C ATOM 808 O GLN A 50 -7.346 -0.001 -6.619 1.00 0.00 O ATOM 809 CB GLN A 50 -10.448 0.548 -5.850 1.00 0.00 C ATOM 810 CG GLN A 50 -10.337 2.073 -5.929 1.00 0.00 C ATOM 811 CD GLN A 50 -8.896 2.568 -5.874 1.00 0.00 C ATOM 812 OE1 GLN A 50 -8.384 3.168 -6.817 1.00 0.00 O ATOM 813 NE2 GLN A 50 -8.188 2.327 -4.785 1.00 0.00 N ATOM 0 H GLN A 50 -11.376 -1.385 -6.953 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.481 0.520 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.500 0.265 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.068 0.213 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.799 2.418 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.899 2.516 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.611 1.829 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.218 2.639 -4.728 1.00 0.00 H new ATOM 822 N VAL A 51 -8.295 -1.895 -5.858 1.00 0.00 N ATOM 823 CA VAL A 51 -7.057 -2.486 -5.351 1.00 0.00 C ATOM 824 C VAL A 51 -6.000 -2.534 -6.474 1.00 0.00 C ATOM 825 O VAL A 51 -4.852 -2.173 -6.224 1.00 0.00 O ATOM 826 CB VAL A 51 -7.350 -3.861 -4.700 1.00 0.00 C ATOM 827 CG1 VAL A 51 -6.088 -4.569 -4.202 1.00 0.00 C ATOM 828 CG2 VAL A 51 -8.303 -3.746 -3.486 1.00 0.00 C ATOM 0 H VAL A 51 -9.118 -2.479 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.634 -1.865 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.812 -4.440 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.359 -5.526 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.411 -4.737 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.593 -3.948 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.477 -4.736 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.852 -3.104 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.252 -3.317 -3.808 1.00 0.00 H new ATOM 838 N LYS A 52 -6.397 -2.838 -7.720 1.00 0.00 N ATOM 839 CA LYS A 52 -5.521 -2.838 -8.897 1.00 0.00 C ATOM 840 C LYS A 52 -4.719 -1.530 -8.992 1.00 0.00 C ATOM 841 O LYS A 52 -3.503 -1.555 -9.161 1.00 0.00 O ATOM 842 CB LYS A 52 -6.381 -3.090 -10.159 1.00 0.00 C ATOM 843 CG LYS A 52 -5.563 -3.489 -11.396 1.00 0.00 C ATOM 844 CD LYS A 52 -6.377 -3.464 -12.707 1.00 0.00 C ATOM 845 CE LYS A 52 -7.448 -4.560 -12.837 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.824 -4.794 -14.253 1.00 0.00 N ATOM 0 H LYS A 52 -7.359 -3.096 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.787 -3.639 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.104 -3.877 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.950 -2.188 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.713 -2.814 -11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.159 -4.491 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.863 -2.492 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.687 -3.553 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.075 -5.487 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.333 -4.274 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.548 -5.539 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.203 -3.916 -14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.985 -5.091 -14.790 1.00 0.00 H new ATOM 860 N ILE A 53 -5.396 -0.384 -8.886 1.00 0.00 N ATOM 861 CA ILE A 53 -4.792 0.944 -9.003 1.00 0.00 C ATOM 862 C ILE A 53 -4.199 1.389 -7.669 1.00 0.00 C ATOM 863 O ILE A 53 -3.312 2.241 -7.649 1.00 0.00 O ATOM 864 CB ILE A 53 -5.850 1.955 -9.478 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.490 1.517 -10.819 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.298 3.383 -9.643 1.00 0.00 C ATOM 867 CD1 ILE A 53 -7.888 0.939 -10.611 1.00 0.00 C ATOM 0 H ILE A 53 -6.401 -0.354 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.985 0.897 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.602 1.970 -8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.545 2.372 -11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.855 0.773 -11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.096 4.045 -9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.913 3.737 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.494 3.380 -10.379 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.306 0.643 -11.573 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.828 0.069 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.529 1.693 -10.154 1.00 0.00 H new ATOM 879 N TRP A 54 -4.632 0.838 -6.538 1.00 0.00 N ATOM 880 CA TRP A 54 -4.078 1.217 -5.249 1.00 0.00 C ATOM 881 C TRP A 54 -2.563 0.951 -5.252 1.00 0.00 C ATOM 882 O TRP A 54 -1.785 1.812 -4.836 1.00 0.00 O ATOM 883 CB TRP A 54 -4.842 0.492 -4.138 1.00 0.00 C ATOM 884 CG TRP A 54 -4.698 1.103 -2.783 1.00 0.00 C ATOM 885 CD1 TRP A 54 -5.387 2.164 -2.306 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.790 0.711 -1.720 1.00 0.00 C ATOM 887 NE1 TRP A 54 -4.986 2.437 -1.015 1.00 0.00 N ATOM 888 CE2 TRP A 54 -3.988 1.579 -0.605 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.817 -0.301 -1.595 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -3.229 1.465 0.567 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -2.060 -0.427 -0.415 1.00 0.00 C ATOM 892 CH2 TRP A 54 -2.262 0.453 0.662 1.00 0.00 C ATOM 0 H TRP A 54 -5.364 0.129 -6.492 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.201 2.283 -5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.900 0.466 -4.400 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.499 -0.542 -4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.138 2.715 -2.853 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.378 3.180 -0.437 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.651 -0.987 -2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.387 2.149 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.317 -1.207 -0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.674 0.350 1.562 1.00 0.00 H new ATOM 903 N PHE A 55 -2.130 -0.157 -5.867 1.00 0.00 N ATOM 904 CA PHE A 55 -0.714 -0.486 -6.070 1.00 0.00 C ATOM 905 C PHE A 55 0.025 0.498 -6.984 1.00 0.00 C ATOM 906 O PHE A 55 1.253 0.582 -6.899 1.00 0.00 O ATOM 907 CB PHE A 55 -0.585 -1.870 -6.711 1.00 0.00 C ATOM 908 CG PHE A 55 -1.129 -3.059 -5.949 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.698 -3.341 -4.639 1.00 0.00 C ATOM 910 CD2 PHE A 55 -1.970 -3.967 -6.614 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.067 -4.546 -4.018 1.00 0.00 C ATOM 912 CE2 PHE A 55 -2.334 -5.172 -5.996 1.00 0.00 C ATOM 913 CZ PHE A 55 -1.868 -5.471 -4.706 1.00 0.00 C ATOM 0 H PHE A 55 -2.765 -0.861 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.263 -0.443 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.084 -1.837 -7.680 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.472 -2.052 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.082 -2.629 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.337 -3.736 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.735 -4.760 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.974 -5.871 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.126 -6.412 -4.243 1.00 0.00 H new ATOM 923 N GLN A 56 -0.660 1.266 -7.841 1.00 0.00 N ATOM 924 CA GLN A 56 -0.001 2.278 -8.666 1.00 0.00 C ATOM 925 C GLN A 56 0.610 3.393 -7.802 1.00 0.00 C ATOM 926 O GLN A 56 1.405 4.193 -8.300 1.00 0.00 O ATOM 927 CB GLN A 56 -0.955 2.857 -9.738 1.00 0.00 C ATOM 928 CG GLN A 56 -0.571 2.540 -11.190 1.00 0.00 C ATOM 929 CD GLN A 56 -1.535 1.511 -11.753 1.00 0.00 C ATOM 930 OE1 GLN A 56 -2.440 1.844 -12.515 1.00 0.00 O ATOM 931 NE2 GLN A 56 -1.400 0.268 -11.341 1.00 0.00 N ATOM 0 H GLN A 56 -1.669 1.203 -7.979 1.00 0.00 H new ATOM 0 HA GLN A 56 0.814 1.782 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.959 2.476 -9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.998 3.940 -9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.599 3.448 -11.792 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.450 2.160 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.639 0.020 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.056 -0.447 -11.654 1.00 0.00 H new ATOM 940 N ASN A 57 0.282 3.462 -6.508 1.00 0.00 N ATOM 941 CA ASN A 57 0.823 4.445 -5.569 1.00 0.00 C ATOM 942 C ASN A 57 2.071 3.937 -4.845 1.00 0.00 C ATOM 943 O ASN A 57 2.838 4.742 -4.318 1.00 0.00 O ATOM 944 CB ASN A 57 -0.263 4.830 -4.556 1.00 0.00 C ATOM 945 CG ASN A 57 -1.501 5.409 -5.236 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.501 6.564 -5.659 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.543 4.616 -5.431 1.00 0.00 N ATOM 0 H ASN A 57 -0.383 2.820 -6.076 1.00 0.00 H new ATOM 0 HA ASN A 57 1.128 5.321 -6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.546 3.951 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.139 5.560 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.359 4.961 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.530 3.660 -5.075 1.00 0.00 H new ATOM 954 N ARG A 58 2.333 2.621 -4.827 1.00 0.00 N ATOM 955 CA ARG A 58 3.350 2.018 -3.953 1.00 0.00 C ATOM 956 C ARG A 58 4.808 2.257 -4.350 1.00 0.00 C ATOM 957 O ARG A 58 5.698 1.553 -3.872 1.00 0.00 O ATOM 958 CB ARG A 58 3.083 0.524 -3.758 1.00 0.00 C ATOM 959 CG ARG A 58 3.336 -0.410 -4.948 1.00 0.00 C ATOM 960 CD ARG A 58 4.280 -1.564 -4.603 1.00 0.00 C ATOM 961 NE ARG A 58 5.703 -1.209 -4.700 1.00 0.00 N ATOM 962 CZ ARG A 58 6.668 -2.043 -5.115 1.00 0.00 C ATOM 963 NH1 ARG A 58 6.387 -3.305 -5.432 1.00 0.00 N ATOM 964 NH2 ARG A 58 7.914 -1.611 -5.211 1.00 0.00 N ATOM 0 H ARG A 58 1.846 1.946 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 58 3.237 2.551 -3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.697 0.180 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.042 0.407 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.385 -0.815 -5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.758 0.165 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.068 -1.906 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.077 -2.401 -5.271 1.00 0.00 H new ATOM 0 HE ARG A 58 5.976 -0.263 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.429 -3.648 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.130 -3.929 -5.746 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.139 -0.646 -4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.650 -2.243 -5.526 1.00 0.00 H new ATOM 978 N ARG A 59 5.064 3.192 -5.253 1.00 0.00 N ATOM 979 CA ARG A 59 6.406 3.576 -5.682 1.00 0.00 C ATOM 980 C ARG A 59 6.737 5.029 -5.336 1.00 0.00 C ATOM 981 O ARG A 59 7.915 5.386 -5.329 1.00 0.00 O ATOM 982 CB ARG A 59 6.607 3.303 -7.182 1.00 0.00 C ATOM 983 CG ARG A 59 6.190 1.911 -7.691 1.00 0.00 C ATOM 984 CD ARG A 59 6.566 1.776 -9.180 1.00 0.00 C ATOM 985 NE ARG A 59 5.742 0.774 -9.880 1.00 0.00 N ATOM 986 CZ ARG A 59 6.135 -0.223 -10.683 1.00 0.00 C ATOM 987 NH1 ARG A 59 7.415 -0.484 -10.910 1.00 0.00 N ATOM 988 NH2 ARG A 59 5.214 -0.974 -11.264 1.00 0.00 N ATOM 0 H ARG A 59 4.327 3.720 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 59 7.106 2.953 -5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.048 4.052 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.661 3.450 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.686 1.135 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.117 1.771 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.451 2.743 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.617 1.500 -9.263 1.00 0.00 H new ATOM 0 HE ARG A 59 4.736 0.850 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.138 0.083 -10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.677 -1.252 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.225 -0.789 -11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.493 -1.738 -11.879 1.00 0.00 H new ATOM 1002 N ALA A 60 5.736 5.850 -4.993 1.00 0.00 N ATOM 1003 CA ALA A 60 5.901 7.291 -4.839 1.00 0.00 C ATOM 1004 C ALA A 60 6.833 7.598 -3.672 1.00 0.00 C ATOM 1005 O ALA A 60 7.733 8.423 -3.791 1.00 0.00 O ATOM 1006 CB ALA A 60 4.532 7.945 -4.623 1.00 0.00 C ATOM 0 H ALA A 60 4.785 5.526 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 60 6.348 7.698 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.657 9.022 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.893 7.744 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.071 7.535 -3.724 1.00 0.00 H new ATOM 1012 N LYS A 61 6.647 6.881 -2.561 1.00 0.00 N ATOM 1013 CA LYS A 61 7.255 7.128 -1.263 1.00 0.00 C ATOM 1014 C LYS A 61 8.749 7.440 -1.377 1.00 0.00 C ATOM 1015 O LYS A 61 9.167 8.548 -1.043 1.00 0.00 O ATOM 1016 CB LYS A 61 6.944 5.910 -0.380 1.00 0.00 C ATOM 1017 CG LYS A 61 7.357 6.087 1.097 1.00 0.00 C ATOM 1018 CD LYS A 61 7.932 4.806 1.723 1.00 0.00 C ATOM 1019 CE LYS A 61 7.577 4.625 3.208 1.00 0.00 C ATOM 1020 NZ LYS A 61 6.158 4.258 3.432 1.00 0.00 N ATOM 0 H LYS A 61 6.032 6.067 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 61 6.836 8.022 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.875 5.704 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.455 5.038 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.099 6.883 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.490 6.408 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.566 3.944 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.017 4.817 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.216 3.853 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.794 5.550 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.984 4.151 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.542 5.005 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.951 3.360 2.950 1.00 0.00 H new ATOM 1034 N TRP A 62 9.567 6.496 -1.848 1.00 0.00 N ATOM 1035 CA TRP A 62 11.005 6.731 -1.957 1.00 0.00 C ATOM 1036 C TRP A 62 11.333 7.699 -3.088 1.00 0.00 C ATOM 1037 O TRP A 62 12.354 8.364 -2.991 1.00 0.00 O ATOM 1038 CB TRP A 62 11.783 5.424 -2.127 1.00 0.00 C ATOM 1039 CG TRP A 62 11.225 4.270 -1.362 1.00 0.00 C ATOM 1040 CD1 TRP A 62 11.379 4.016 -0.042 1.00 0.00 C ATOM 1041 CD2 TRP A 62 10.316 3.256 -1.863 1.00 0.00 C ATOM 1042 NE1 TRP A 62 10.639 2.902 0.299 1.00 0.00 N ATOM 1043 CE2 TRP A 62 9.899 2.446 -0.771 1.00 0.00 C ATOM 1044 CE3 TRP A 62 9.779 2.967 -3.132 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 8.930 1.449 -0.923 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 8.848 1.933 -3.302 1.00 0.00 C ATOM 1047 CH2 TRP A 62 8.384 1.208 -2.194 1.00 0.00 C ATOM 0 H TRP A 62 9.261 5.573 -2.156 1.00 0.00 H new ATOM 0 HA TRP A 62 11.319 7.189 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 62 11.807 5.165 -3.185 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.815 5.586 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 62 11.986 4.595 0.638 1.00 0.00 H new ATOM 0 HE1 TRP A 62 10.640 2.472 1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 62 10.089 3.550 -3.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 8.605 0.870 -0.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 8.486 1.693 -4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 62 7.609 0.466 -2.318 1.00 0.00 H new ATOM 1058 N LYS A 63 10.521 7.811 -4.146 1.00 0.00 N ATOM 1059 CA LYS A 63 10.781 8.736 -5.249 1.00 0.00 C ATOM 1060 C LYS A 63 10.548 10.191 -4.863 1.00 0.00 C ATOM 1061 O LYS A 63 11.132 11.070 -5.494 1.00 0.00 O ATOM 1062 CB LYS A 63 9.937 8.359 -6.477 1.00 0.00 C ATOM 1063 CG LYS A 63 10.789 7.599 -7.496 1.00 0.00 C ATOM 1064 CD LYS A 63 11.182 6.182 -7.060 1.00 0.00 C ATOM 1065 CE LYS A 63 12.418 5.802 -7.872 1.00 0.00 C ATOM 1066 NZ LYS A 63 12.732 4.369 -7.779 1.00 0.00 N ATOM 0 H LYS A 63 9.668 7.263 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 63 11.838 8.643 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.091 7.744 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.527 9.259 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.241 7.538 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.696 8.171 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.396 6.151 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.368 5.481 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.259 6.069 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.272 6.382 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.578 4.161 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.911 4.117 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.929 3.814 -8.138 1.00 0.00 H new ATOM 1080 N ARG A 64 9.758 10.455 -3.823 1.00 0.00 N ATOM 1081 CA ARG A 64 9.665 11.750 -3.180 1.00 0.00 C ATOM 1082 C ARG A 64 11.046 12.234 -2.744 1.00 0.00 C ATOM 1083 O ARG A 64 11.405 13.372 -3.011 1.00 0.00 O ATOM 1084 CB ARG A 64 8.689 11.597 -1.999 1.00 0.00 C ATOM 1085 CG ARG A 64 7.794 12.819 -1.793 1.00 0.00 C ATOM 1086 CD ARG A 64 8.154 13.644 -0.548 1.00 0.00 C ATOM 1087 NE ARG A 64 7.902 12.913 0.708 1.00 0.00 N ATOM 1088 CZ ARG A 64 6.717 12.691 1.289 1.00 0.00 C ATOM 1089 NH1 ARG A 64 5.579 13.105 0.744 1.00 0.00 N ATOM 1090 NH2 ARG A 64 6.671 12.034 2.439 1.00 0.00 N ATOM 0 H ARG A 64 9.153 9.752 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 64 9.289 12.510 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.063 10.720 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.258 11.414 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.859 13.459 -2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.758 12.490 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.206 13.926 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.576 14.568 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 64 8.720 12.535 1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.592 13.608 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.692 12.920 1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.533 11.703 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.773 11.859 2.891 1.00 0.00 H new ATOM 1104 N ILE A 65 11.810 11.364 -2.081 1.00 0.00 N ATOM 1105 CA ILE A 65 13.135 11.666 -1.553 1.00 0.00 C ATOM 1106 C ILE A 65 14.153 11.517 -2.686 1.00 0.00 C ATOM 1107 O ILE A 65 14.858 12.462 -3.027 1.00 0.00 O ATOM 1108 CB ILE A 65 13.411 10.764 -0.324 1.00 0.00 C ATOM 1109 CG1 ILE A 65 12.340 11.068 0.757 1.00 0.00 C ATOM 1110 CG2 ILE A 65 14.844 10.958 0.202 1.00 0.00 C ATOM 1111 CD1 ILE A 65 12.587 10.449 2.134 1.00 0.00 C ATOM 0 H ILE A 65 11.514 10.406 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 65 13.211 12.693 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 65 13.338 9.714 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.266 12.149 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.374 10.720 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.006 10.311 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.557 10.703 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 65 14.986 11.998 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.777 10.727 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.627 9.364 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.533 10.815 2.533 1.00 0.00 H new ATOM 1123 N LYS A 66 14.219 10.333 -3.299 1.00 0.00 N ATOM 1124 CA LYS A 66 15.047 9.967 -4.446 1.00 0.00 C ATOM 1125 C LYS A 66 14.448 10.558 -5.732 1.00 0.00 C ATOM 1126 O LYS A 66 14.227 9.853 -6.723 1.00 0.00 O ATOM 1127 CB LYS A 66 15.198 8.429 -4.461 1.00 0.00 C ATOM 1128 CG LYS A 66 16.504 7.932 -5.116 1.00 0.00 C ATOM 1129 CD LYS A 66 16.295 7.318 -6.513 1.00 0.00 C ATOM 1130 CE LYS A 66 17.570 6.712 -7.122 1.00 0.00 C ATOM 1131 NZ LYS A 66 18.183 5.688 -6.248 1.00 0.00 N ATOM 0 H LYS A 66 13.652 9.547 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 66 16.050 10.388 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.155 8.060 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.350 7.996 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 66 17.202 8.766 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.967 7.189 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.531 6.543 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.913 8.087 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.331 6.266 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.293 7.506 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.923 5.180 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.604 6.149 -5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.454 5.014 -5.939 1.00 0.00 H new ATOM 1145 N ALA A 67 14.116 11.843 -5.693 1.00 0.00 N ATOM 1146 CA ALA A 67 13.776 12.659 -6.836 1.00 0.00 C ATOM 1147 C ALA A 67 15.101 12.936 -7.549 1.00 0.00 C ATOM 1148 O ALA A 67 15.931 13.680 -7.021 1.00 0.00 O ATOM 1149 CB ALA A 67 13.073 13.922 -6.328 1.00 0.00 C ATOM 0 H ALA A 67 14.077 12.363 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 67 13.089 12.188 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.806 14.555 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.170 13.642 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.742 14.468 -5.663 1.00 0.00 H new ATOM 1155 N GLY A 68 15.370 12.240 -8.653 1.00 0.00 N ATOM 1156 CA GLY A 68 16.674 12.224 -9.311 1.00 0.00 C ATOM 1157 C GLY A 68 16.552 11.627 -10.709 1.00 0.00 C ATOM 1158 O GLY A 68 15.463 11.201 -11.103 1.00 0.00 O ATOM 0 H GLY A 68 14.674 11.661 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.070 13.238 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.381 11.642 -8.720 1.00 0.00 H new ATOM 1162 N ASN A 69 17.644 11.619 -11.476 1.00 0.00 N ATOM 1163 CA ASN A 69 17.637 11.335 -12.916 1.00 0.00 C ATOM 1164 C ASN A 69 18.744 10.336 -13.269 1.00 0.00 C ATOM 1165 O ASN A 69 19.390 9.787 -12.373 1.00 0.00 O ATOM 1166 CB ASN A 69 17.741 12.665 -13.693 1.00 0.00 C ATOM 1167 CG ASN A 69 16.377 13.337 -13.827 1.00 0.00 C ATOM 1168 OD1 ASN A 69 15.931 14.042 -12.922 1.00 0.00 O ATOM 1169 ND2 ASN A 69 15.673 13.107 -14.921 1.00 0.00 N ATOM 0 H ASN A 69 18.576 11.813 -11.109 1.00 0.00 H new ATOM 0 HA ASN A 69 16.700 10.860 -13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 69 18.430 13.336 -13.180 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.156 12.479 -14.684 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.745 13.516 -15.025 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.058 12.520 -15.661 1.00 0.00 H new ATOM 1176 N VAL A 70 18.928 10.061 -14.563 1.00 0.00 N ATOM 1177 CA VAL A 70 19.936 9.158 -15.119 1.00 0.00 C ATOM 1178 C VAL A 70 20.734 9.935 -16.169 1.00 0.00 C ATOM 1179 O VAL A 70 20.173 10.822 -16.832 1.00 0.00 O ATOM 1180 CB VAL A 70 19.243 7.924 -15.745 1.00 0.00 C ATOM 1181 CG1 VAL A 70 20.233 6.832 -16.165 1.00 0.00 C ATOM 1182 CG2 VAL A 70 18.234 7.285 -14.787 1.00 0.00 C ATOM 0 H VAL A 70 18.348 10.484 -15.287 1.00 0.00 H new ATOM 0 HA VAL A 70 20.610 8.799 -14.341 1.00 0.00 H new ATOM 0 HB VAL A 70 18.735 8.312 -16.628 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.688 5.993 -16.597 1.00 0.00 H new ATOM 0 HG12 VAL A 70 20.926 7.234 -16.905 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.791 6.492 -15.293 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.772 6.423 -15.268 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.746 6.964 -13.880 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.465 8.013 -14.530 1.00 0.00 H new ATOM 1192 N SER A 71 22.012 9.594 -16.349 1.00 0.00 N ATOM 1193 CA SER A 71 22.770 9.982 -17.523 1.00 0.00 C ATOM 1194 C SER A 71 22.296 9.071 -18.634 1.00 0.00 C ATOM 1195 O SER A 71 21.611 9.575 -19.540 1.00 0.00 O ATOM 1196 CB SER A 71 24.281 9.878 -17.275 1.00 0.00 C ATOM 1197 OG SER A 71 24.991 10.437 -18.367 1.00 0.00 O ATOM 0 H SER A 71 22.544 9.040 -15.679 1.00 0.00 H new ATOM 0 HA SER A 71 22.604 11.027 -17.787 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.544 10.400 -16.355 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.565 8.834 -17.142 1.00 0.00 H new ATOM 0 HG SER A 71 25.954 10.368 -18.200 1.00 0.00 H new TER 1203 SER A 71