USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 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 Single : A 1 SER N :NH3+ -172:sc= 0 (180deg=-0.0635) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.174 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.755 X(o=-0.76,f=-0.6) 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=-0.0023) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.003 USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.888) 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 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -81:sc= 1.25 USER MOD Single : A 39 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.15) USER MOD Single : A 42 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= 0.212 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -4.16! C(o=-4.2!,f=-5.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.309 K(o=-0.31,f=-5!) USER MOD Single : A 57 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.014) 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+ 180:sc= 0 (180deg=0) 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 9.103 2.421 -22.395 1.00 0.00 N ATOM 2 CA SER A 1 10.230 3.328 -22.132 1.00 0.00 C ATOM 3 C SER A 1 9.771 4.784 -22.223 1.00 0.00 C ATOM 4 O SER A 1 10.113 5.573 -21.345 1.00 0.00 O ATOM 5 CB SER A 1 11.403 3.048 -23.086 1.00 0.00 C ATOM 6 OG SER A 1 12.634 2.918 -22.403 1.00 0.00 O ATOM 0 H1 SER A 1 9.392 1.442 -22.198 1.00 0.00 H new ATOM 0 H2 SER A 1 8.302 2.675 -21.782 1.00 0.00 H new ATOM 0 H3 SER A 1 8.816 2.504 -23.391 1.00 0.00 H new ATOM 0 HA SER A 1 10.588 3.147 -21.119 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.203 2.134 -23.645 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.478 3.857 -23.813 1.00 0.00 H new ATOM 0 HG SER A 1 13.349 2.739 -23.049 1.00 0.00 H new ATOM 12 N ALA A 2 8.998 5.134 -23.257 1.00 0.00 N ATOM 13 CA ALA A 2 8.725 6.485 -23.719 1.00 0.00 C ATOM 14 C ALA A 2 7.299 6.920 -23.321 1.00 0.00 C ATOM 15 O ALA A 2 6.376 6.694 -24.109 1.00 0.00 O ATOM 16 CB ALA A 2 8.932 6.462 -25.244 1.00 0.00 C ATOM 0 H ALA A 2 8.520 4.433 -23.823 1.00 0.00 H new ATOM 0 HA ALA A 2 9.390 7.217 -23.260 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.741 7.454 -25.652 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.958 6.169 -25.468 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.244 5.746 -25.694 1.00 0.00 H new ATOM 22 N PRO A 3 7.044 7.466 -22.115 1.00 0.00 N ATOM 23 CA PRO A 3 5.688 7.601 -21.573 1.00 0.00 C ATOM 24 C PRO A 3 4.788 8.597 -22.314 1.00 0.00 C ATOM 25 O PRO A 3 3.562 8.505 -22.200 1.00 0.00 O ATOM 26 CB PRO A 3 5.880 8.053 -20.122 1.00 0.00 C ATOM 27 CG PRO A 3 7.223 8.781 -20.144 1.00 0.00 C ATOM 28 CD PRO A 3 8.019 7.956 -21.151 1.00 0.00 C ATOM 0 HA PRO A 3 5.170 6.648 -21.679 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.073 8.710 -19.797 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.895 7.205 -19.437 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.119 9.819 -20.460 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.696 8.793 -19.162 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.782 8.563 -21.639 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.534 7.130 -20.661 1.00 0.00 H new ATOM 36 N GLY A 4 5.350 9.549 -23.058 1.00 0.00 N ATOM 37 CA GLY A 4 4.603 10.707 -23.525 1.00 0.00 C ATOM 38 C GLY A 4 4.255 11.609 -22.341 1.00 0.00 C ATOM 39 O GLY A 4 4.837 11.484 -21.258 1.00 0.00 O ATOM 0 H GLY A 4 6.327 9.537 -23.350 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.192 11.261 -24.256 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.692 10.385 -24.029 1.00 0.00 H new ATOM 43 N GLY A 5 3.331 12.545 -22.538 1.00 0.00 N ATOM 44 CA GLY A 5 2.751 13.326 -21.458 1.00 0.00 C ATOM 45 C GLY A 5 1.819 12.436 -20.641 1.00 0.00 C ATOM 46 O GLY A 5 0.640 12.304 -20.975 1.00 0.00 O ATOM 0 H GLY A 5 2.963 12.782 -23.459 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.538 13.730 -20.822 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.201 14.176 -21.862 1.00 0.00 H new ATOM 50 N LYS A 6 2.324 11.769 -19.600 1.00 0.00 N ATOM 51 CA LYS A 6 1.498 10.970 -18.696 1.00 0.00 C ATOM 52 C LYS A 6 1.741 11.410 -17.262 1.00 0.00 C ATOM 53 O LYS A 6 2.675 10.958 -16.599 1.00 0.00 O ATOM 54 CB LYS A 6 1.642 9.457 -18.954 1.00 0.00 C ATOM 55 CG LYS A 6 0.728 9.037 -20.124 1.00 0.00 C ATOM 56 CD LYS A 6 0.681 7.521 -20.352 1.00 0.00 C ATOM 57 CE LYS A 6 -0.543 7.097 -21.186 1.00 0.00 C ATOM 58 NZ LYS A 6 -0.579 7.698 -22.536 1.00 0.00 N ATOM 0 H LYS A 6 3.316 11.769 -19.362 1.00 0.00 H new ATOM 0 HA LYS A 6 0.444 11.157 -18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.679 9.215 -19.186 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.378 8.899 -18.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.282 9.399 -19.933 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.073 9.523 -21.037 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.592 7.203 -20.859 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.657 7.011 -19.389 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.548 6.011 -21.281 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.451 7.375 -20.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.428 7.370 -23.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.604 8.734 -22.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.270 7.413 -23.065 1.00 0.00 H new ATOM 72 N SER A 7 0.899 12.326 -16.799 1.00 0.00 N ATOM 73 CA SER A 7 0.761 12.758 -15.414 1.00 0.00 C ATOM 74 C SER A 7 0.220 11.620 -14.538 1.00 0.00 C ATOM 75 O SER A 7 -0.413 10.678 -15.039 1.00 0.00 O ATOM 76 CB SER A 7 -0.184 13.973 -15.384 1.00 0.00 C ATOM 77 OG SER A 7 -1.089 13.941 -16.483 1.00 0.00 O ATOM 0 H SER A 7 0.255 12.817 -17.419 1.00 0.00 H new ATOM 0 HA SER A 7 1.735 13.036 -15.012 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.743 13.981 -14.448 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.399 14.893 -15.415 1.00 0.00 H new ATOM 0 HG SER A 7 -1.681 14.721 -16.442 1.00 0.00 H new ATOM 83 N ARG A 8 0.436 11.716 -13.223 1.00 0.00 N ATOM 84 CA ARG A 8 -0.042 10.735 -12.255 1.00 0.00 C ATOM 85 C ARG A 8 -1.444 11.112 -11.807 1.00 0.00 C ATOM 86 O ARG A 8 -1.649 12.212 -11.299 1.00 0.00 O ATOM 87 CB ARG A 8 0.918 10.656 -11.057 1.00 0.00 C ATOM 88 CG ARG A 8 0.548 9.513 -10.089 1.00 0.00 C ATOM 89 CD ARG A 8 -0.326 9.926 -8.886 1.00 0.00 C ATOM 90 NE ARG A 8 0.388 10.763 -7.909 1.00 0.00 N ATOM 91 CZ ARG A 8 1.400 10.409 -7.106 1.00 0.00 C ATOM 92 NH1 ARG A 8 1.841 9.154 -7.067 1.00 0.00 N ATOM 93 NH2 ARG A 8 1.968 11.330 -6.338 1.00 0.00 N ATOM 0 H ARG A 8 0.953 12.487 -12.800 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.075 9.750 -12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.936 10.509 -11.418 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.904 11.604 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.023 8.739 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.468 9.066 -9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.199 10.468 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.692 9.029 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 8 0.074 11.731 -7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.407 8.442 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.613 8.904 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.633 12.293 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.740 11.075 -5.722 1.00 0.00 H new ATOM 107 N ARG A 9 -2.388 10.180 -11.929 1.00 0.00 N ATOM 108 CA ARG A 9 -3.732 10.307 -11.366 1.00 0.00 C ATOM 109 C ARG A 9 -3.853 9.459 -10.110 1.00 0.00 C ATOM 110 O ARG A 9 -3.151 8.448 -9.981 1.00 0.00 O ATOM 111 CB ARG A 9 -4.766 9.839 -12.397 1.00 0.00 C ATOM 112 CG ARG A 9 -4.765 10.696 -13.665 1.00 0.00 C ATOM 113 CD ARG A 9 -5.666 10.049 -14.714 1.00 0.00 C ATOM 114 NE ARG A 9 -5.570 10.795 -15.969 1.00 0.00 N ATOM 115 CZ ARG A 9 -5.099 10.348 -17.135 1.00 0.00 C ATOM 116 NH1 ARG A 9 -4.883 9.048 -17.338 1.00 0.00 N ATOM 117 NH2 ARG A 9 -4.837 11.236 -18.084 1.00 0.00 N ATOM 0 H ARG A 9 -2.239 9.303 -12.429 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.913 11.351 -11.112 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.563 8.802 -12.664 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.759 9.864 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.117 11.702 -13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.750 10.793 -14.051 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.371 9.012 -14.872 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.698 10.037 -14.364 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.898 11.761 -15.951 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.078 8.377 -16.595 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.523 8.725 -18.236 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.996 12.229 -17.912 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.476 10.927 -18.986 1.00 0.00 H new ATOM 131 N ARG A 10 -4.803 9.781 -9.236 1.00 0.00 N ATOM 132 CA ARG A 10 -5.179 9.017 -8.063 1.00 0.00 C ATOM 133 C ARG A 10 -6.638 8.623 -8.208 1.00 0.00 C ATOM 134 O ARG A 10 -7.527 9.296 -7.687 1.00 0.00 O ATOM 135 CB ARG A 10 -4.883 9.865 -6.819 1.00 0.00 C ATOM 136 CG ARG A 10 -5.124 9.051 -5.550 1.00 0.00 C ATOM 137 CD ARG A 10 -4.599 9.781 -4.311 1.00 0.00 C ATOM 138 NE ARG A 10 -5.035 9.123 -3.072 1.00 0.00 N ATOM 139 CZ ARG A 10 -4.575 7.994 -2.522 1.00 0.00 C ATOM 140 NH1 ARG A 10 -3.614 7.289 -3.108 1.00 0.00 N ATOM 141 NH2 ARG A 10 -5.090 7.582 -1.369 1.00 0.00 N ATOM 0 H ARG A 10 -5.358 10.630 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.607 8.095 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.850 10.212 -6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.517 10.751 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.191 8.859 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.633 8.082 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.510 9.815 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.951 10.813 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.787 9.588 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.215 7.606 -3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.275 6.430 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.825 8.125 -0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.750 6.723 -0.937 1.00 0.00 H new ATOM 155 N ARG A 11 -6.902 7.512 -8.897 1.00 0.00 N ATOM 156 CA ARG A 11 -8.221 6.888 -8.943 1.00 0.00 C ATOM 157 C ARG A 11 -8.462 6.124 -7.628 1.00 0.00 C ATOM 158 O ARG A 11 -8.791 4.937 -7.662 1.00 0.00 O ATOM 159 CB ARG A 11 -8.300 5.992 -10.201 1.00 0.00 C ATOM 160 CG ARG A 11 -9.741 5.633 -10.619 1.00 0.00 C ATOM 161 CD ARG A 11 -10.350 6.629 -11.621 1.00 0.00 C ATOM 162 NE ARG A 11 -9.671 6.610 -12.930 1.00 0.00 N ATOM 163 CZ ARG A 11 -9.719 5.654 -13.865 1.00 0.00 C ATOM 164 NH1 ARG A 11 -10.558 4.631 -13.761 1.00 0.00 N ATOM 165 NH2 ARG A 11 -8.904 5.728 -14.913 1.00 0.00 N ATOM 0 H ARG A 11 -6.198 7.017 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.016 7.629 -9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.807 6.501 -11.030 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.745 5.072 -10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.746 4.636 -11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.370 5.592 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.406 6.397 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.297 7.635 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.096 7.423 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.182 4.563 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.579 3.913 -14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.252 6.507 -14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.931 5.005 -15.632 1.00 0.00 H new ATOM 179 N THR A 12 -8.281 6.774 -6.476 1.00 0.00 N ATOM 180 CA THR A 12 -8.542 6.185 -5.166 1.00 0.00 C ATOM 181 C THR A 12 -9.539 7.042 -4.397 1.00 0.00 C ATOM 182 O THR A 12 -9.491 8.269 -4.493 1.00 0.00 O ATOM 183 CB THR A 12 -7.236 5.975 -4.375 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.226 5.433 -5.214 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.470 5.078 -3.150 1.00 0.00 C ATOM 0 H THR A 12 -7.945 7.736 -6.429 1.00 0.00 H new ATOM 0 HA THR A 12 -8.984 5.199 -5.310 1.00 0.00 H new ATOM 0 HB THR A 12 -6.898 6.947 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.403 5.308 -4.696 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.532 4.947 -2.611 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.204 5.544 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.840 4.106 -3.476 1.00 0.00 H new ATOM 193 N ALA A 13 -10.406 6.393 -3.621 1.00 0.00 N ATOM 194 CA ALA A 13 -11.247 6.975 -2.593 1.00 0.00 C ATOM 195 C ALA A 13 -11.467 5.884 -1.540 1.00 0.00 C ATOM 196 O ALA A 13 -12.250 4.962 -1.772 1.00 0.00 O ATOM 197 CB ALA A 13 -12.567 7.447 -3.213 1.00 0.00 C ATOM 0 H ALA A 13 -10.543 5.386 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.786 7.848 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.197 7.884 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.362 8.195 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.082 6.598 -3.663 1.00 0.00 H new ATOM 203 N PHE A 14 -10.742 5.951 -0.428 1.00 0.00 N ATOM 204 CA PHE A 14 -10.922 5.157 0.783 1.00 0.00 C ATOM 205 C PHE A 14 -10.968 6.116 1.975 1.00 0.00 C ATOM 206 O PHE A 14 -11.179 7.320 1.808 1.00 0.00 O ATOM 207 CB PHE A 14 -9.805 4.107 0.950 1.00 0.00 C ATOM 208 CG PHE A 14 -9.586 3.173 -0.215 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.663 2.456 -0.760 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.289 2.980 -0.717 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.433 1.546 -1.804 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.058 2.091 -1.775 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.130 1.358 -2.304 1.00 0.00 C ATOM 0 H PHE A 14 -9.963 6.604 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.855 4.598 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.870 4.631 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.028 3.507 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.662 2.604 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.462 3.522 -0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.257 0.989 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.064 1.971 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.956 0.647 -3.098 1.00 0.00 H new ATOM 223 N THR A 15 -10.815 5.569 3.174 1.00 0.00 N ATOM 224 CA THR A 15 -10.848 6.252 4.457 1.00 0.00 C ATOM 225 C THR A 15 -9.749 5.607 5.310 1.00 0.00 C ATOM 226 O THR A 15 -9.422 4.444 5.066 1.00 0.00 O ATOM 227 CB THR A 15 -12.251 6.088 5.081 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.468 4.747 5.458 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.386 6.473 4.123 1.00 0.00 C ATOM 0 H THR A 15 -10.654 4.568 3.281 1.00 0.00 H new ATOM 0 HA THR A 15 -10.666 7.323 4.373 1.00 0.00 H new ATOM 0 HB THR A 15 -12.268 6.759 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.360 4.659 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.345 6.335 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.276 7.517 3.830 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.344 5.841 3.236 1.00 0.00 H new ATOM 237 N SER A 16 -9.216 6.266 6.345 1.00 0.00 N ATOM 238 CA SER A 16 -8.253 5.611 7.239 1.00 0.00 C ATOM 239 C SER A 16 -8.860 4.377 7.926 1.00 0.00 C ATOM 240 O SER A 16 -8.162 3.391 8.149 1.00 0.00 O ATOM 241 CB SER A 16 -7.696 6.626 8.241 1.00 0.00 C ATOM 242 OG SER A 16 -6.337 6.913 7.956 1.00 0.00 O ATOM 0 H SER A 16 -9.430 7.235 6.582 1.00 0.00 H new ATOM 0 HA SER A 16 -7.420 5.240 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.283 7.544 8.202 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.786 6.233 9.254 1.00 0.00 H new ATOM 0 HG SER A 16 -5.997 7.564 8.605 1.00 0.00 H new ATOM 248 N GLU A 17 -10.176 4.387 8.147 1.00 0.00 N ATOM 249 CA GLU A 17 -10.979 3.270 8.640 1.00 0.00 C ATOM 250 C GLU A 17 -10.868 2.029 7.746 1.00 0.00 C ATOM 251 O GLU A 17 -11.104 0.911 8.198 1.00 0.00 O ATOM 252 CB GLU A 17 -12.444 3.763 8.697 1.00 0.00 C ATOM 253 CG GLU A 17 -13.104 3.668 10.072 1.00 0.00 C ATOM 254 CD GLU A 17 -13.718 2.295 10.319 1.00 0.00 C ATOM 255 OE1 GLU A 17 -12.998 1.388 10.795 1.00 0.00 O ATOM 256 OE2 GLU A 17 -14.936 2.142 10.058 1.00 0.00 O ATOM 0 H GLU A 17 -10.739 5.220 7.977 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.617 2.966 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.475 4.801 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.034 3.184 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.364 3.878 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.878 4.431 10.156 1.00 0.00 H new ATOM 263 N GLN A 18 -10.516 2.214 6.476 1.00 0.00 N ATOM 264 CA GLN A 18 -10.467 1.189 5.445 1.00 0.00 C ATOM 265 C GLN A 18 -9.043 1.007 4.909 1.00 0.00 C ATOM 266 O GLN A 18 -8.810 0.171 4.038 1.00 0.00 O ATOM 267 CB GLN A 18 -11.457 1.591 4.345 1.00 0.00 C ATOM 268 CG GLN A 18 -12.902 1.448 4.846 1.00 0.00 C ATOM 269 CD GLN A 18 -13.926 1.965 3.846 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.898 2.613 4.227 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.774 1.631 2.574 1.00 0.00 N ATOM 0 H GLN A 18 -10.244 3.132 6.124 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.753 0.220 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.272 2.621 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.307 0.965 3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.106 0.399 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.012 1.991 5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.958 1.093 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.473 1.912 1.886 1.00 0.00 H new ATOM 280 N LEU A 19 -8.081 1.767 5.432 1.00 0.00 N ATOM 281 CA LEU A 19 -6.661 1.637 5.133 1.00 0.00 C ATOM 282 C LEU A 19 -5.940 0.886 6.260 1.00 0.00 C ATOM 283 O LEU A 19 -4.741 0.642 6.139 1.00 0.00 O ATOM 284 CB LEU A 19 -6.047 3.037 4.935 1.00 0.00 C ATOM 285 CG LEU A 19 -6.563 3.801 3.694 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.198 5.291 3.768 1.00 0.00 C ATOM 287 CD2 LEU A 19 -6.046 3.196 2.386 1.00 0.00 C ATOM 0 H LEU A 19 -8.279 2.514 6.097 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.541 1.062 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.249 3.636 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.964 2.936 4.858 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.649 3.704 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.574 5.802 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.646 5.732 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.114 5.398 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.435 3.766 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.957 3.230 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.378 2.161 2.308 1.00 0.00 H new ATOM 299 N LEU A 20 -6.627 0.536 7.357 1.00 0.00 N ATOM 300 CA LEU A 20 -5.987 0.151 8.605 1.00 0.00 C ATOM 301 C LEU A 20 -5.320 -1.212 8.437 1.00 0.00 C ATOM 302 O LEU A 20 -4.104 -1.371 8.542 1.00 0.00 O ATOM 303 CB LEU A 20 -7.064 0.171 9.716 1.00 0.00 C ATOM 304 CG LEU A 20 -6.534 0.791 11.012 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.693 1.134 11.950 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.539 -0.125 11.733 1.00 0.00 C ATOM 0 H LEU A 20 -7.646 0.515 7.395 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.197 0.846 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.931 0.735 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.403 -0.846 9.912 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.003 1.701 10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.301 1.574 12.867 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.358 1.846 11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.247 0.227 12.191 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.193 0.360 12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.028 -1.066 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.688 -0.322 11.081 1.00 0.00 H new ATOM 318 N GLU A 21 -6.157 -2.186 8.104 1.00 0.00 N ATOM 319 CA GLU A 21 -5.838 -3.596 7.947 1.00 0.00 C ATOM 320 C GLU A 21 -4.971 -3.786 6.708 1.00 0.00 C ATOM 321 O GLU A 21 -4.058 -4.604 6.655 1.00 0.00 O ATOM 322 CB GLU A 21 -7.163 -4.336 7.737 1.00 0.00 C ATOM 323 CG GLU A 21 -8.175 -4.087 8.864 1.00 0.00 C ATOM 324 CD GLU A 21 -7.741 -4.718 10.186 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.213 -5.858 10.175 1.00 0.00 O ATOM 326 OE2 GLU A 21 -7.869 -4.047 11.237 1.00 0.00 O ATOM 0 H GLU A 21 -7.143 -1.997 7.925 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.304 -3.971 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.600 -4.024 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.967 -5.406 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.304 -3.014 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.145 -4.490 8.573 1.00 0.00 H new ATOM 333 N LEU A 22 -5.295 -2.995 5.693 1.00 0.00 N ATOM 334 CA LEU A 22 -4.706 -3.013 4.378 1.00 0.00 C ATOM 335 C LEU A 22 -3.219 -2.657 4.445 1.00 0.00 C ATOM 336 O LEU A 22 -2.419 -3.213 3.694 1.00 0.00 O ATOM 337 CB LEU A 22 -5.520 -2.007 3.561 1.00 0.00 C ATOM 338 CG LEU A 22 -4.972 -1.755 2.157 1.00 0.00 C ATOM 339 CD1 LEU A 22 -4.921 -2.981 1.236 1.00 0.00 C ATOM 340 CD2 LEU A 22 -5.817 -0.645 1.539 1.00 0.00 C ATOM 0 H LEU A 22 -6.021 -2.284 5.781 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.740 -4.000 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.546 -2.366 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.555 -1.061 4.101 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.924 -1.473 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.517 -2.691 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.283 -3.744 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.927 -3.380 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.458 -0.433 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.859 -0.963 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.739 0.255 2.149 1.00 0.00 H new ATOM 352 N GLU A 23 -2.840 -1.731 5.329 1.00 0.00 N ATOM 353 CA GLU A 23 -1.436 -1.437 5.576 1.00 0.00 C ATOM 354 C GLU A 23 -0.799 -2.420 6.547 1.00 0.00 C ATOM 355 O GLU A 23 0.402 -2.675 6.408 1.00 0.00 O ATOM 356 CB GLU A 23 -1.247 -0.012 6.094 1.00 0.00 C ATOM 357 CG GLU A 23 -1.416 0.987 4.941 1.00 0.00 C ATOM 358 CD GLU A 23 -0.646 2.284 5.158 1.00 0.00 C ATOM 359 OE1 GLU A 23 -0.960 3.075 6.073 1.00 0.00 O ATOM 360 OE2 GLU A 23 0.221 2.612 4.312 1.00 0.00 O ATOM 0 H GLU A 23 -3.490 -1.174 5.884 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.933 -1.538 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.973 0.199 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.257 0.095 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.081 0.523 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.475 1.216 4.818 1.00 0.00 H new ATOM 367 N LYS A 24 -1.567 -2.980 7.488 1.00 0.00 N ATOM 368 CA LYS A 24 -1.067 -3.997 8.410 1.00 0.00 C ATOM 369 C LYS A 24 -0.514 -5.170 7.592 1.00 0.00 C ATOM 370 O LYS A 24 0.600 -5.649 7.833 1.00 0.00 O ATOM 371 CB LYS A 24 -2.211 -4.434 9.355 1.00 0.00 C ATOM 372 CG LYS A 24 -1.802 -5.222 10.612 1.00 0.00 C ATOM 373 CD LYS A 24 -1.592 -4.346 11.856 1.00 0.00 C ATOM 374 CE LYS A 24 -0.350 -3.462 11.739 1.00 0.00 C ATOM 375 NZ LYS A 24 -0.112 -2.644 12.939 1.00 0.00 N ATOM 0 H LYS A 24 -2.548 -2.740 7.629 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.261 -3.604 9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.750 -3.542 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.911 -5.043 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.570 -5.965 10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.881 -5.766 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.470 -3.718 12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.500 -4.983 12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.521 -4.091 11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.457 -2.807 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.742 -2.066 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.929 -2.021 13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.019 -3.266 13.762 1.00 0.00 H new ATOM 389 N GLU A 25 -1.265 -5.556 6.562 1.00 0.00 N ATOM 390 CA GLU A 25 -0.933 -6.586 5.594 1.00 0.00 C ATOM 391 C GLU A 25 0.371 -6.304 4.849 1.00 0.00 C ATOM 392 O GLU A 25 1.086 -7.238 4.501 1.00 0.00 O ATOM 393 CB GLU A 25 -2.100 -6.694 4.590 1.00 0.00 C ATOM 394 CG GLU A 25 -2.934 -7.957 4.798 1.00 0.00 C ATOM 395 CD GLU A 25 -3.625 -8.013 6.161 1.00 0.00 C ATOM 396 OE1 GLU A 25 -2.921 -8.292 7.152 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.878 -8.013 6.231 1.00 0.00 O ATOM 0 H GLU A 25 -2.173 -5.130 6.375 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.783 -7.523 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.742 -5.818 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.704 -6.687 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.689 -8.018 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.290 -8.830 4.689 1.00 0.00 H new ATOM 404 N PHE A 26 0.694 -5.038 4.580 1.00 0.00 N ATOM 405 CA PHE A 26 1.819 -4.677 3.718 1.00 0.00 C ATOM 406 C PHE A 26 3.155 -4.625 4.475 1.00 0.00 C ATOM 407 O PHE A 26 4.179 -4.207 3.914 1.00 0.00 O ATOM 408 CB PHE A 26 1.502 -3.355 3.004 1.00 0.00 C ATOM 409 CG PHE A 26 1.933 -3.363 1.551 1.00 0.00 C ATOM 410 CD1 PHE A 26 1.113 -3.981 0.590 1.00 0.00 C ATOM 411 CD2 PHE A 26 3.153 -2.784 1.157 1.00 0.00 C ATOM 412 CE1 PHE A 26 1.496 -3.996 -0.762 1.00 0.00 C ATOM 413 CE2 PHE A 26 3.545 -2.811 -0.195 1.00 0.00 C ATOM 414 CZ PHE A 26 2.711 -3.410 -1.156 1.00 0.00 C ATOM 0 H PHE A 26 0.184 -4.237 4.953 1.00 0.00 H new ATOM 0 HA PHE A 26 1.947 -5.461 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.431 -3.163 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.001 -2.537 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.186 -4.446 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.791 -2.318 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.856 -4.458 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.485 -2.372 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.004 -3.420 -2.195 1.00 0.00 H new ATOM 424 N HIS A 27 3.150 -4.997 5.758 1.00 0.00 N ATOM 425 CA HIS A 27 4.300 -4.881 6.638 1.00 0.00 C ATOM 426 C HIS A 27 4.907 -6.259 6.883 1.00 0.00 C ATOM 427 O HIS A 27 6.076 -6.467 6.556 1.00 0.00 O ATOM 428 CB HIS A 27 3.892 -4.172 7.930 1.00 0.00 C ATOM 429 CG HIS A 27 5.038 -3.484 8.622 1.00 0.00 C ATOM 430 ND1 HIS A 27 6.151 -4.088 9.163 1.00 0.00 N ATOM 431 CD2 HIS A 27 5.181 -2.131 8.773 1.00 0.00 C ATOM 432 CE1 HIS A 27 6.959 -3.118 9.617 1.00 0.00 C ATOM 433 NE2 HIS A 27 6.443 -1.905 9.337 1.00 0.00 N ATOM 0 H HIS A 27 2.329 -5.393 6.215 1.00 0.00 H new ATOM 0 HA HIS A 27 5.074 -4.273 6.170 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.120 -3.437 7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.450 -4.899 8.611 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.455 -1.377 8.507 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.892 -3.286 10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.884 -1.001 9.503 1.00 0.00 H new ATOM 441 N CYS A 28 4.120 -7.192 7.424 1.00 0.00 N ATOM 442 CA CYS A 28 4.558 -8.522 7.840 1.00 0.00 C ATOM 443 C CYS A 28 4.964 -9.411 6.663 1.00 0.00 C ATOM 444 O CYS A 28 5.657 -10.416 6.849 1.00 0.00 O ATOM 445 CB CYS A 28 3.395 -9.181 8.591 1.00 0.00 C ATOM 446 SG CYS A 28 3.021 -8.202 10.069 1.00 0.00 S ATOM 0 H CYS A 28 3.126 -7.034 7.589 1.00 0.00 H new ATOM 0 HA CYS A 28 5.441 -8.410 8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.517 -9.242 7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.657 -10.201 8.871 1.00 0.00 H new ATOM 0 HG CYS A 28 2.034 -8.750 10.714 1.00 0.00 H new ATOM 452 N LYS A 29 4.499 -9.072 5.459 1.00 0.00 N ATOM 453 CA LYS A 29 4.612 -9.896 4.273 1.00 0.00 C ATOM 454 C LYS A 29 4.676 -8.973 3.066 1.00 0.00 C ATOM 455 O LYS A 29 3.867 -8.061 2.917 1.00 0.00 O ATOM 456 CB LYS A 29 3.484 -10.942 4.267 1.00 0.00 C ATOM 457 CG LYS A 29 2.048 -10.497 4.624 1.00 0.00 C ATOM 458 CD LYS A 29 1.095 -10.349 3.435 1.00 0.00 C ATOM 459 CE LYS A 29 0.900 -11.634 2.616 1.00 0.00 C ATOM 460 NZ LYS A 29 0.550 -12.831 3.417 1.00 0.00 N ATOM 0 H LYS A 29 4.020 -8.188 5.286 1.00 0.00 H new ATOM 0 HA LYS A 29 5.528 -10.486 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.453 -11.387 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.765 -11.734 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.624 -11.220 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.101 -9.542 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.124 -10.015 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.473 -9.567 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.115 -11.464 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.817 -11.839 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.090 -13.441 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.416 -13.358 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.078 -12.535 4.295 1.00 0.00 H new ATOM 474 N LYS A 30 5.720 -9.131 2.250 1.00 0.00 N ATOM 475 CA LYS A 30 6.158 -8.116 1.286 1.00 0.00 C ATOM 476 C LYS A 30 5.482 -8.269 -0.083 1.00 0.00 C ATOM 477 O LYS A 30 5.871 -7.606 -1.050 1.00 0.00 O ATOM 478 CB LYS A 30 7.700 -8.136 1.216 1.00 0.00 C ATOM 479 CG LYS A 30 8.333 -6.734 1.195 1.00 0.00 C ATOM 480 CD LYS A 30 8.157 -6.024 -0.146 1.00 0.00 C ATOM 481 CE LYS A 30 9.216 -4.945 -0.343 1.00 0.00 C ATOM 482 NZ LYS A 30 9.475 -4.725 -1.780 1.00 0.00 N ATOM 0 H LYS A 30 6.292 -9.975 2.239 1.00 0.00 H new ATOM 0 HA LYS A 30 5.840 -7.131 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.087 -8.688 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.008 -8.678 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.887 -6.127 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.396 -6.817 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.220 -6.751 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.164 -5.576 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.885 -4.015 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.139 -5.238 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.199 -3.987 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.812 -5.609 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.597 -4.424 -2.249 1.00 0.00 H new ATOM 496 N TYR A 31 4.495 -9.146 -0.208 1.00 0.00 N ATOM 497 CA TYR A 31 3.647 -9.273 -1.378 1.00 0.00 C ATOM 498 C TYR A 31 2.300 -9.753 -0.869 1.00 0.00 C ATOM 499 O TYR A 31 2.228 -10.576 0.047 1.00 0.00 O ATOM 500 CB TYR A 31 4.243 -10.247 -2.407 1.00 0.00 C ATOM 501 CG TYR A 31 4.738 -11.554 -1.823 1.00 0.00 C ATOM 502 CD1 TYR A 31 6.015 -11.612 -1.236 1.00 0.00 C ATOM 503 CD2 TYR A 31 3.923 -12.702 -1.841 1.00 0.00 C ATOM 504 CE1 TYR A 31 6.456 -12.791 -0.621 1.00 0.00 C ATOM 505 CE2 TYR A 31 4.384 -13.902 -1.270 1.00 0.00 C ATOM 506 CZ TYR A 31 5.650 -13.948 -0.644 1.00 0.00 C ATOM 507 OH TYR A 31 6.088 -15.094 -0.059 1.00 0.00 O ATOM 0 H TYR A 31 4.257 -9.810 0.529 1.00 0.00 H new ATOM 0 HA TYR A 31 3.553 -8.321 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.488 -10.464 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.071 -9.755 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.658 -10.744 -1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.943 -12.661 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.416 -12.814 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.770 -14.789 -1.310 1.00 0.00 H new ATOM 0 HH TYR A 31 5.411 -15.795 -0.164 1.00 0.00 H new ATOM 517 N LEU A 32 1.242 -9.223 -1.466 1.00 0.00 N ATOM 518 CA LEU A 32 -0.126 -9.632 -1.236 1.00 0.00 C ATOM 519 C LEU A 32 -0.473 -10.515 -2.423 1.00 0.00 C ATOM 520 O LEU A 32 -0.533 -10.025 -3.559 1.00 0.00 O ATOM 521 CB LEU A 32 -1.010 -8.380 -1.108 1.00 0.00 C ATOM 522 CG LEU A 32 -2.025 -8.475 0.037 1.00 0.00 C ATOM 523 CD1 LEU A 32 -1.370 -8.591 1.417 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.896 -7.226 0.041 1.00 0.00 C ATOM 0 H LEU A 32 1.322 -8.469 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.280 -10.188 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.375 -7.508 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.543 -8.221 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.606 -9.380 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.143 -8.654 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.751 -9.487 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.749 -7.714 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.619 -7.289 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.269 -6.346 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.424 -7.148 -0.909 1.00 0.00 H new ATOM 536 N SER A 33 -0.586 -11.816 -2.187 1.00 0.00 N ATOM 537 CA SER A 33 -1.014 -12.743 -3.221 1.00 0.00 C ATOM 538 C SER A 33 -2.537 -12.651 -3.339 1.00 0.00 C ATOM 539 O SER A 33 -3.182 -11.882 -2.620 1.00 0.00 O ATOM 540 CB SER A 33 -0.512 -14.161 -2.927 1.00 0.00 C ATOM 541 OG SER A 33 0.855 -14.158 -2.554 1.00 0.00 O ATOM 0 H SER A 33 -0.386 -12.251 -1.286 1.00 0.00 H new ATOM 0 HA SER A 33 -0.579 -12.478 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.108 -14.601 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.649 -14.787 -3.809 1.00 0.00 H new ATOM 0 HG SER A 33 1.146 -15.076 -2.371 1.00 0.00 H new ATOM 547 N LEU A 34 -3.125 -13.373 -4.294 1.00 0.00 N ATOM 548 CA LEU A 34 -4.520 -13.170 -4.668 1.00 0.00 C ATOM 549 C LEU A 34 -5.468 -13.377 -3.483 1.00 0.00 C ATOM 550 O LEU A 34 -6.411 -12.602 -3.320 1.00 0.00 O ATOM 551 CB LEU A 34 -4.897 -14.086 -5.848 1.00 0.00 C ATOM 552 CG LEU A 34 -5.767 -13.419 -6.935 1.00 0.00 C ATOM 553 CD1 LEU A 34 -7.090 -12.837 -6.420 1.00 0.00 C ATOM 554 CD2 LEU A 34 -4.999 -12.325 -7.683 1.00 0.00 C ATOM 0 H LEU A 34 -2.652 -14.106 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.631 -12.133 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.981 -14.454 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.429 -14.955 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.017 -14.234 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.637 -12.388 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.690 -13.632 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.884 -12.076 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.645 -11.879 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.682 -11.556 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.123 -12.760 -8.164 1.00 0.00 H new ATOM 566 N THR A 35 -5.248 -14.406 -2.660 1.00 0.00 N ATOM 567 CA THR A 35 -6.115 -14.696 -1.522 1.00 0.00 C ATOM 568 C THR A 35 -6.044 -13.549 -0.495 1.00 0.00 C ATOM 569 O THR A 35 -7.086 -13.087 -0.025 1.00 0.00 O ATOM 570 CB THR A 35 -5.798 -16.109 -0.983 1.00 0.00 C ATOM 571 OG1 THR A 35 -6.894 -16.668 -0.284 1.00 0.00 O ATOM 572 CG2 THR A 35 -4.527 -16.195 -0.142 1.00 0.00 C ATOM 0 H THR A 35 -4.469 -15.056 -2.765 1.00 0.00 H new ATOM 0 HA THR A 35 -7.164 -14.731 -1.815 1.00 0.00 H new ATOM 0 HB THR A 35 -5.609 -16.704 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.654 -17.562 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.382 -17.222 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.672 -15.886 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.618 -15.539 0.724 1.00 0.00 H new ATOM 580 N GLU A 36 -4.857 -12.999 -0.217 1.00 0.00 N ATOM 581 CA GLU A 36 -4.695 -11.922 0.752 1.00 0.00 C ATOM 582 C GLU A 36 -5.298 -10.645 0.188 1.00 0.00 C ATOM 583 O GLU A 36 -5.993 -9.912 0.888 1.00 0.00 O ATOM 584 CB GLU A 36 -3.211 -11.709 1.083 1.00 0.00 C ATOM 585 CG GLU A 36 -2.618 -12.891 1.859 1.00 0.00 C ATOM 586 CD GLU A 36 -1.751 -13.766 0.958 1.00 0.00 C ATOM 587 OE1 GLU A 36 -2.078 -13.912 -0.235 1.00 0.00 O ATOM 588 OE2 GLU A 36 -0.677 -14.207 1.428 1.00 0.00 O ATOM 0 H GLU A 36 -3.986 -13.291 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.211 -12.191 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.651 -11.565 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.098 -10.797 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.021 -12.519 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.423 -13.490 2.285 1.00 0.00 H new ATOM 595 N ARG A 37 -5.060 -10.381 -1.096 1.00 0.00 N ATOM 596 CA ARG A 37 -5.541 -9.175 -1.742 1.00 0.00 C ATOM 597 C ARG A 37 -7.063 -9.157 -1.819 1.00 0.00 C ATOM 598 O ARG A 37 -7.671 -8.087 -1.771 1.00 0.00 O ATOM 599 CB ARG A 37 -4.853 -9.044 -3.108 1.00 0.00 C ATOM 600 CG ARG A 37 -5.245 -7.756 -3.841 1.00 0.00 C ATOM 601 CD ARG A 37 -6.395 -7.946 -4.840 1.00 0.00 C ATOM 602 NE ARG A 37 -5.903 -7.888 -6.226 1.00 0.00 N ATOM 603 CZ ARG A 37 -6.527 -8.350 -7.311 1.00 0.00 C ATOM 604 NH1 ARG A 37 -7.712 -8.937 -7.210 1.00 0.00 N ATOM 605 NH2 ARG A 37 -5.955 -8.203 -8.497 1.00 0.00 N ATOM 0 H ARG A 37 -4.530 -10.999 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.280 -8.297 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.772 -9.065 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.113 -9.903 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.532 -7.003 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.374 -7.369 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.881 -8.905 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.148 -7.173 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.993 -7.450 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.155 -9.039 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.181 -9.287 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.049 -7.741 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.421 -8.552 -9.335 1.00 0.00 H new ATOM 619 N SER A 38 -7.693 -10.323 -1.947 1.00 0.00 N ATOM 620 CA SER A 38 -9.141 -10.400 -1.993 1.00 0.00 C ATOM 621 C SER A 38 -9.778 -10.325 -0.603 1.00 0.00 C ATOM 622 O SER A 38 -10.955 -9.973 -0.540 1.00 0.00 O ATOM 623 CB SER A 38 -9.598 -11.602 -2.828 1.00 0.00 C ATOM 624 OG SER A 38 -8.908 -12.797 -2.521 1.00 0.00 O ATOM 0 H SER A 38 -7.219 -11.223 -2.020 1.00 0.00 H new ATOM 0 HA SER A 38 -9.510 -9.513 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.665 -11.758 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.460 -11.374 -3.885 1.00 0.00 H new ATOM 0 HG SER A 38 -8.044 -12.804 -2.983 1.00 0.00 H new ATOM 630 N GLN A 39 -9.037 -10.572 0.490 1.00 0.00 N ATOM 631 CA GLN A 39 -9.551 -10.462 1.855 1.00 0.00 C ATOM 632 C GLN A 39 -10.066 -9.047 2.104 1.00 0.00 C ATOM 633 O GLN A 39 -11.251 -8.860 2.364 1.00 0.00 O ATOM 634 CB GLN A 39 -8.496 -10.855 2.899 1.00 0.00 C ATOM 635 CG GLN A 39 -8.180 -12.362 2.946 1.00 0.00 C ATOM 636 CD GLN A 39 -8.360 -12.957 4.346 1.00 0.00 C ATOM 637 OE1 GLN A 39 -9.349 -12.696 5.023 1.00 0.00 O ATOM 638 NE2 GLN A 39 -7.425 -13.762 4.817 1.00 0.00 N ATOM 0 H GLN A 39 -8.058 -10.855 0.445 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.378 -11.165 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.576 -10.309 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.840 -10.537 3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.829 -12.888 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.154 -12.525 2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.604 -13.977 4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.524 -14.169 5.747 1.00 0.00 H new ATOM 647 N ILE A 40 -9.200 -8.036 1.975 1.00 0.00 N ATOM 648 CA ILE A 40 -9.550 -6.635 2.244 1.00 0.00 C ATOM 649 C ILE A 40 -10.833 -6.213 1.501 1.00 0.00 C ATOM 650 O ILE A 40 -11.631 -5.447 2.052 1.00 0.00 O ATOM 651 CB ILE A 40 -8.350 -5.712 1.910 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.184 -5.865 2.917 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.763 -4.233 1.884 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.961 -6.515 2.269 1.00 0.00 C ATOM 0 H ILE A 40 -8.232 -8.166 1.680 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.767 -6.533 3.307 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.013 -6.025 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.911 -4.886 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.511 -6.468 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.896 -3.617 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.532 -4.083 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.155 -3.947 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.164 -6.606 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.228 -7.505 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.618 -5.898 1.438 1.00 0.00 H new ATOM 666 N ALA A 41 -11.041 -6.700 0.269 1.00 0.00 N ATOM 667 CA ALA A 41 -12.184 -6.325 -0.556 1.00 0.00 C ATOM 668 C ALA A 41 -13.529 -6.678 0.100 1.00 0.00 C ATOM 669 O ALA A 41 -14.525 -6.034 -0.228 1.00 0.00 O ATOM 670 CB ALA A 41 -12.060 -6.947 -1.956 1.00 0.00 C ATOM 0 H ALA A 41 -10.414 -7.368 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.171 -5.240 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.920 -6.658 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.146 -6.592 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.025 -8.033 -1.870 1.00 0.00 H new ATOM 676 N HIS A 42 -13.581 -7.628 1.042 1.00 0.00 N ATOM 677 CA HIS A 42 -14.815 -8.037 1.715 1.00 0.00 C ATOM 678 C HIS A 42 -14.694 -8.106 3.241 1.00 0.00 C ATOM 679 O HIS A 42 -15.707 -8.295 3.917 1.00 0.00 O ATOM 680 CB HIS A 42 -15.273 -9.378 1.138 1.00 0.00 C ATOM 681 CG HIS A 42 -14.340 -10.519 1.454 1.00 0.00 C ATOM 682 ND1 HIS A 42 -13.304 -10.974 0.669 1.00 0.00 N ATOM 683 CD2 HIS A 42 -14.327 -11.243 2.615 1.00 0.00 C ATOM 684 CE1 HIS A 42 -12.698 -11.966 1.337 1.00 0.00 C ATOM 685 NE2 HIS A 42 -13.288 -12.170 2.527 1.00 0.00 N ATOM 0 H HIS A 42 -12.757 -8.138 1.360 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.562 -7.267 1.524 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -16.264 -9.612 1.526 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -15.368 -9.286 0.056 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -13.045 -10.621 -0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -15.001 -11.119 3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.851 -12.525 0.969 1.00 0.00 H new ATOM 693 N ALA A 43 -13.490 -7.942 3.790 1.00 0.00 N ATOM 694 CA ALA A 43 -13.239 -7.932 5.214 1.00 0.00 C ATOM 695 C ALA A 43 -13.535 -6.534 5.727 1.00 0.00 C ATOM 696 O ALA A 43 -13.994 -6.414 6.863 1.00 0.00 O ATOM 697 CB ALA A 43 -11.781 -8.308 5.502 1.00 0.00 C ATOM 0 H ALA A 43 -12.646 -7.810 3.233 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.875 -8.662 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.608 -8.296 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.579 -9.306 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.118 -7.590 5.020 1.00 0.00 H new ATOM 703 N LEU A 44 -13.306 -5.493 4.899 1.00 0.00 N ATOM 704 CA LEU A 44 -13.662 -4.145 5.302 1.00 0.00 C ATOM 705 C LEU A 44 -14.843 -3.627 4.483 1.00 0.00 C ATOM 706 O LEU A 44 -15.974 -3.947 4.823 1.00 0.00 O ATOM 707 CB LEU A 44 -12.427 -3.226 5.173 1.00 0.00 C ATOM 708 CG LEU A 44 -11.329 -3.462 6.227 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.032 -2.797 5.750 1.00 0.00 C ATOM 710 CD2 LEU A 44 -11.718 -2.867 7.579 1.00 0.00 C ATOM 0 H LEU A 44 -12.886 -5.570 3.973 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.978 -4.151 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.994 -3.361 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.756 -2.189 5.238 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.195 -4.537 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.247 -2.958 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.729 -3.233 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.197 -1.727 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.922 -3.051 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.871 -1.793 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.639 -3.332 7.930 1.00 0.00 H new ATOM 722 N LYS A 45 -14.614 -2.986 3.328 1.00 0.00 N ATOM 723 CA LYS A 45 -15.581 -2.164 2.577 1.00 0.00 C ATOM 724 C LYS A 45 -15.121 -1.820 1.156 1.00 0.00 C ATOM 725 O LYS A 45 -15.770 -1.014 0.484 1.00 0.00 O ATOM 726 CB LYS A 45 -15.811 -0.841 3.350 1.00 0.00 C ATOM 727 CG LYS A 45 -16.811 -0.998 4.487 1.00 0.00 C ATOM 728 CD LYS A 45 -16.195 -0.938 5.892 1.00 0.00 C ATOM 729 CE LYS A 45 -16.534 0.371 6.611 1.00 0.00 C ATOM 730 NZ LYS A 45 -16.361 0.249 8.075 1.00 0.00 N ATOM 0 H LYS A 45 -13.705 -3.027 2.867 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.494 -2.753 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.861 -0.489 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.168 -0.077 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.565 -0.215 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.327 -1.951 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.556 -1.780 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.112 -1.041 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.895 1.170 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.563 0.653 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.293 0.251 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.869 -0.641 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.799 1.051 8.426 1.00 0.00 H new ATOM 744 N LEU A 46 -13.955 -2.307 0.735 1.00 0.00 N ATOM 745 CA LEU A 46 -13.326 -1.867 -0.506 1.00 0.00 C ATOM 746 C LEU A 46 -13.949 -2.644 -1.681 1.00 0.00 C ATOM 747 O LEU A 46 -14.927 -3.372 -1.508 1.00 0.00 O ATOM 748 CB LEU A 46 -11.789 -1.992 -0.417 1.00 0.00 C ATOM 749 CG LEU A 46 -11.094 -1.038 0.584 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.308 -1.494 2.028 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.592 -0.989 0.301 1.00 0.00 C ATOM 0 H LEU A 46 -13.423 -3.014 1.243 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.517 -0.808 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.542 -3.018 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.371 -1.816 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.535 -0.049 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.807 -0.803 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.375 -1.511 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.894 -2.494 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.110 -0.315 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.169 -1.988 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.425 -0.628 -0.714 1.00 0.00 H new ATOM 763 N SER A 47 -13.417 -2.485 -2.892 1.00 0.00 N ATOM 764 CA SER A 47 -13.819 -3.253 -4.057 1.00 0.00 C ATOM 765 C SER A 47 -12.592 -3.508 -4.927 1.00 0.00 C ATOM 766 O SER A 47 -11.631 -2.736 -4.920 1.00 0.00 O ATOM 767 CB SER A 47 -14.913 -2.495 -4.810 1.00 0.00 C ATOM 768 OG SER A 47 -15.428 -3.273 -5.874 1.00 0.00 O ATOM 0 H SER A 47 -12.682 -1.806 -3.089 1.00 0.00 H new ATOM 0 HA SER A 47 -14.231 -4.219 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.718 -2.233 -4.123 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.510 -1.560 -5.200 1.00 0.00 H new ATOM 0 HG SER A 47 -16.127 -2.768 -6.340 1.00 0.00 H new ATOM 774 N GLU A 48 -12.618 -4.604 -5.676 1.00 0.00 N ATOM 775 CA GLU A 48 -11.427 -5.210 -6.250 1.00 0.00 C ATOM 776 C GLU A 48 -10.694 -4.312 -7.248 1.00 0.00 C ATOM 777 O GLU A 48 -9.467 -4.346 -7.283 1.00 0.00 O ATOM 778 CB GLU A 48 -11.802 -6.523 -6.930 1.00 0.00 C ATOM 779 CG GLU A 48 -12.383 -7.546 -5.954 1.00 0.00 C ATOM 780 CD GLU A 48 -12.500 -8.892 -6.653 1.00 0.00 C ATOM 781 OE1 GLU A 48 -11.492 -9.638 -6.652 1.00 0.00 O ATOM 782 OE2 GLU A 48 -13.573 -9.168 -7.244 1.00 0.00 O ATOM 0 H GLU A 48 -13.479 -5.102 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.738 -5.378 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.528 -6.325 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.919 -6.945 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.743 -7.633 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.362 -7.218 -5.604 1.00 0.00 H new ATOM 789 N VAL A 49 -11.382 -3.515 -8.073 1.00 0.00 N ATOM 790 CA VAL A 49 -10.687 -2.608 -8.994 1.00 0.00 C ATOM 791 C VAL A 49 -9.987 -1.515 -8.192 1.00 0.00 C ATOM 792 O VAL A 49 -8.832 -1.182 -8.462 1.00 0.00 O ATOM 793 CB VAL A 49 -11.665 -2.005 -10.017 1.00 0.00 C ATOM 794 CG1 VAL A 49 -10.974 -0.973 -10.914 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.257 -3.109 -10.896 1.00 0.00 C ATOM 0 H VAL A 49 -12.400 -3.478 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.940 -3.171 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.457 -1.507 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.695 -0.568 -11.624 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.576 -0.165 -10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.159 -1.451 -11.457 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.948 -2.670 -11.616 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.455 -3.620 -11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.791 -3.825 -10.271 1.00 0.00 H new ATOM 805 N GLN A 50 -10.671 -0.977 -7.184 1.00 0.00 N ATOM 806 CA GLN A 50 -10.125 0.047 -6.317 1.00 0.00 C ATOM 807 C GLN A 50 -8.834 -0.453 -5.655 1.00 0.00 C ATOM 808 O GLN A 50 -7.877 0.313 -5.503 1.00 0.00 O ATOM 809 CB GLN A 50 -11.179 0.428 -5.256 1.00 0.00 C ATOM 810 CG GLN A 50 -11.712 1.862 -5.360 1.00 0.00 C ATOM 811 CD GLN A 50 -10.694 2.991 -5.315 1.00 0.00 C ATOM 812 OE1 GLN A 50 -11.071 4.148 -5.463 1.00 0.00 O ATOM 813 NE2 GLN A 50 -9.417 2.726 -5.103 1.00 0.00 N ATOM 0 H GLN A 50 -11.627 -1.246 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.879 0.932 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.019 -0.263 -5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.744 0.289 -4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.269 1.948 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.423 2.017 -4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.110 1.761 -4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.738 3.486 -5.062 1.00 0.00 H new ATOM 822 N VAL A 51 -8.832 -1.715 -5.239 1.00 0.00 N ATOM 823 CA VAL A 51 -7.722 -2.408 -4.598 1.00 0.00 C ATOM 824 C VAL A 51 -6.607 -2.613 -5.641 1.00 0.00 C ATOM 825 O VAL A 51 -5.475 -2.194 -5.413 1.00 0.00 O ATOM 826 CB VAL A 51 -8.287 -3.697 -3.944 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.249 -4.640 -3.342 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.251 -3.358 -2.790 1.00 0.00 C ATOM 0 H VAL A 51 -9.650 -2.314 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.256 -1.842 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.773 -4.199 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.751 -5.507 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.561 -4.968 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.693 -4.119 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.631 -4.280 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.721 -2.785 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.084 -2.768 -3.173 1.00 0.00 H new ATOM 838 N LYS A 52 -6.920 -3.113 -6.845 1.00 0.00 N ATOM 839 CA LYS A 52 -5.977 -3.315 -7.956 1.00 0.00 C ATOM 840 C LYS A 52 -5.064 -2.102 -8.196 1.00 0.00 C ATOM 841 O LYS A 52 -3.871 -2.277 -8.450 1.00 0.00 O ATOM 842 CB LYS A 52 -6.784 -3.667 -9.223 1.00 0.00 C ATOM 843 CG LYS A 52 -5.924 -4.100 -10.418 1.00 0.00 C ATOM 844 CD LYS A 52 -6.703 -4.116 -11.744 1.00 0.00 C ATOM 845 CE LYS A 52 -6.980 -2.679 -12.218 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.541 -2.610 -13.584 1.00 0.00 N ATOM 0 H LYS A 52 -7.870 -3.398 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.308 -4.135 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.483 -4.468 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.379 -2.801 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.074 -3.424 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.521 -5.095 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.133 -4.653 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.644 -4.651 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.673 -2.202 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.052 -2.108 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.704 -1.616 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.872 -3.037 -14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.442 -3.128 -13.616 1.00 0.00 H new ATOM 860 N ILE A 53 -5.599 -0.879 -8.158 1.00 0.00 N ATOM 861 CA ILE A 53 -4.820 0.331 -8.447 1.00 0.00 C ATOM 862 C ILE A 53 -3.978 0.759 -7.238 1.00 0.00 C ATOM 863 O ILE A 53 -2.996 1.481 -7.402 1.00 0.00 O ATOM 864 CB ILE A 53 -5.759 1.466 -8.894 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.637 1.078 -10.110 1.00 0.00 C ATOM 866 CG2 ILE A 53 -4.995 2.761 -9.246 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.059 1.617 -9.931 1.00 0.00 C ATOM 0 H ILE A 53 -6.576 -0.699 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.128 0.107 -9.259 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.401 1.644 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.201 1.479 -11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.662 -0.006 -10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.704 3.529 -9.555 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.443 3.107 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.298 2.562 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.665 1.337 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.497 1.195 -9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.028 2.703 -9.846 1.00 0.00 H new ATOM 879 N TRP A 54 -4.313 0.352 -6.014 1.00 0.00 N ATOM 880 CA TRP A 54 -3.561 0.772 -4.836 1.00 0.00 C ATOM 881 C TRP A 54 -2.115 0.263 -4.924 1.00 0.00 C ATOM 882 O TRP A 54 -1.194 0.969 -4.509 1.00 0.00 O ATOM 883 CB TRP A 54 -4.298 0.278 -3.595 1.00 0.00 C ATOM 884 CG TRP A 54 -3.718 0.604 -2.253 1.00 0.00 C ATOM 885 CD1 TRP A 54 -3.989 1.697 -1.502 1.00 0.00 C ATOM 886 CD2 TRP A 54 -2.896 -0.261 -1.419 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.392 1.567 -0.260 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.750 0.350 -0.139 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.323 -1.539 -1.599 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.114 -0.304 0.927 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.691 -2.203 -0.534 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.601 -1.597 0.731 1.00 0.00 C ATOM 0 H TRP A 54 -5.099 -0.267 -5.814 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.496 1.858 -4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.311 0.680 -3.627 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.383 -0.806 -3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.581 2.542 -1.823 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.422 2.278 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.371 -2.013 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.020 0.181 1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.271 -3.186 -0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.138 -2.125 1.552 1.00 0.00 H new ATOM 903 N PHE A 55 -1.891 -0.883 -5.577 1.00 0.00 N ATOM 904 CA PHE A 55 -0.552 -1.427 -5.825 1.00 0.00 C ATOM 905 C PHE A 55 0.298 -0.497 -6.689 1.00 0.00 C ATOM 906 O PHE A 55 1.501 -0.366 -6.440 1.00 0.00 O ATOM 907 CB PHE A 55 -0.643 -2.816 -6.459 1.00 0.00 C ATOM 908 CG PHE A 55 -1.311 -3.792 -5.524 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.593 -4.345 -4.447 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.683 -4.057 -5.666 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.256 -5.149 -3.506 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.344 -4.848 -4.722 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.634 -5.383 -3.635 1.00 0.00 C ATOM 0 H PHE A 55 -2.641 -1.464 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.056 -1.512 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.204 -2.758 -7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.356 -3.172 -6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.465 -4.151 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.227 -3.649 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.707 -5.586 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.400 -5.048 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.150 -5.977 -2.895 1.00 0.00 H new ATOM 923 N GLN A 56 -0.326 0.197 -7.647 1.00 0.00 N ATOM 924 CA GLN A 56 0.305 1.203 -8.486 1.00 0.00 C ATOM 925 C GLN A 56 0.906 2.312 -7.619 1.00 0.00 C ATOM 926 O GLN A 56 1.974 2.843 -7.922 1.00 0.00 O ATOM 927 CB GLN A 56 -0.742 1.758 -9.465 1.00 0.00 C ATOM 928 CG GLN A 56 -0.142 2.439 -10.704 1.00 0.00 C ATOM 929 CD GLN A 56 -0.485 1.691 -11.988 1.00 0.00 C ATOM 930 OE1 GLN A 56 0.400 1.373 -12.781 1.00 0.00 O ATOM 931 NE2 GLN A 56 -1.758 1.455 -12.252 1.00 0.00 N ATOM 0 H GLN A 56 -1.315 0.065 -7.861 1.00 0.00 H new ATOM 0 HA GLN A 56 1.120 0.759 -9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.389 0.943 -9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.372 2.475 -8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.512 3.462 -10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.941 2.498 -10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.477 1.726 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.022 1.001 -13.127 1.00 0.00 H new ATOM 940 N ASN A 57 0.225 2.676 -6.529 1.00 0.00 N ATOM 941 CA ASN A 57 0.701 3.688 -5.593 1.00 0.00 C ATOM 942 C ASN A 57 1.763 3.095 -4.673 1.00 0.00 C ATOM 943 O ASN A 57 2.821 3.693 -4.483 1.00 0.00 O ATOM 944 CB ASN A 57 -0.467 4.275 -4.785 1.00 0.00 C ATOM 945 CG ASN A 57 -1.429 5.036 -5.683 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.036 6.005 -6.329 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.681 4.620 -5.779 1.00 0.00 N ATOM 0 H ASN A 57 -0.676 2.273 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 57 1.154 4.502 -6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.999 3.472 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.081 4.942 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.334 5.105 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.994 3.814 -5.237 1.00 0.00 H new ATOM 954 N ARG A 58 1.521 1.909 -4.110 1.00 0.00 N ATOM 955 CA ARG A 58 2.374 1.231 -3.126 1.00 0.00 C ATOM 956 C ARG A 58 3.742 0.783 -3.635 1.00 0.00 C ATOM 957 O ARG A 58 4.470 0.146 -2.871 1.00 0.00 O ATOM 958 CB ARG A 58 1.598 0.044 -2.532 1.00 0.00 C ATOM 959 CG ARG A 58 0.731 0.484 -1.341 1.00 0.00 C ATOM 960 CD ARG A 58 1.233 -0.064 0.005 1.00 0.00 C ATOM 961 NE ARG A 58 2.607 0.344 0.357 1.00 0.00 N ATOM 962 CZ ARG A 58 3.005 1.525 0.850 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.159 2.544 0.947 1.00 0.00 N ATOM 964 NH2 ARG A 58 4.262 1.685 1.240 1.00 0.00 N ATOM 0 H ARG A 58 0.686 1.368 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 58 2.608 1.975 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.966 -0.401 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.298 -0.727 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.709 1.573 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.294 0.151 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.556 0.267 0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.186 -1.153 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 58 3.337 -0.352 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.191 2.434 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.477 3.437 1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.922 0.911 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.569 2.582 1.616 1.00 0.00 H new ATOM 978 N ARG A 59 4.167 1.147 -4.844 1.00 0.00 N ATOM 979 CA ARG A 59 5.524 0.883 -5.333 1.00 0.00 C ATOM 980 C ARG A 59 6.357 2.159 -5.526 1.00 0.00 C ATOM 981 O ARG A 59 7.437 2.087 -6.111 1.00 0.00 O ATOM 982 CB ARG A 59 5.465 -0.023 -6.577 1.00 0.00 C ATOM 983 CG ARG A 59 4.712 0.615 -7.749 1.00 0.00 C ATOM 984 CD ARG A 59 4.697 -0.305 -8.974 1.00 0.00 C ATOM 985 NE ARG A 59 4.199 0.437 -10.138 1.00 0.00 N ATOM 986 CZ ARG A 59 3.469 -0.011 -11.160 1.00 0.00 C ATOM 987 NH1 ARG A 59 3.186 -1.301 -11.317 1.00 0.00 N ATOM 988 NH2 ARG A 59 3.018 0.889 -12.020 1.00 0.00 N ATOM 0 H ARG A 59 3.578 1.636 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 59 6.067 0.339 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.480 -0.263 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.983 -0.964 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.689 0.838 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.181 1.564 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.701 -0.681 -9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.064 -1.171 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 59 4.444 1.427 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.531 -1.984 -10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.624 -1.607 -12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.234 1.877 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.455 0.595 -12.818 1.00 0.00 H new ATOM 1002 N ALA A 60 5.881 3.326 -5.075 1.00 0.00 N ATOM 1003 CA ALA A 60 6.510 4.620 -5.347 1.00 0.00 C ATOM 1004 C ALA A 60 7.420 5.109 -4.213 1.00 0.00 C ATOM 1005 O ALA A 60 8.343 5.867 -4.489 1.00 0.00 O ATOM 1006 CB ALA A 60 5.419 5.661 -5.618 1.00 0.00 C ATOM 0 H ALA A 60 5.038 3.397 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 60 7.150 4.486 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.881 6.627 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.828 5.353 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.771 5.745 -4.745 1.00 0.00 H new ATOM 1012 N LYS A 61 7.208 4.672 -2.963 1.00 0.00 N ATOM 1013 CA LYS A 61 7.857 5.196 -1.751 1.00 0.00 C ATOM 1014 C LYS A 61 9.356 5.401 -1.925 1.00 0.00 C ATOM 1015 O LYS A 61 9.849 6.483 -1.631 1.00 0.00 O ATOM 1016 CB LYS A 61 7.577 4.254 -0.576 1.00 0.00 C ATOM 1017 CG LYS A 61 8.201 4.717 0.748 1.00 0.00 C ATOM 1018 CD LYS A 61 8.259 3.553 1.740 1.00 0.00 C ATOM 1019 CE LYS A 61 8.868 4.064 3.050 1.00 0.00 C ATOM 1020 NZ LYS A 61 8.990 3.018 4.084 1.00 0.00 N ATOM 0 H LYS A 61 6.555 3.915 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 61 7.433 6.180 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.499 4.160 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.957 3.262 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.205 5.103 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.615 5.534 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.260 3.155 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.860 2.739 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.855 4.480 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.253 4.877 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.408 3.427 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.048 2.636 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.600 2.252 3.733 1.00 0.00 H new ATOM 1034 N TRP A 62 10.078 4.375 -2.374 1.00 0.00 N ATOM 1035 CA TRP A 62 11.518 4.474 -2.562 1.00 0.00 C ATOM 1036 C TRP A 62 11.814 5.507 -3.648 1.00 0.00 C ATOM 1037 O TRP A 62 12.492 6.499 -3.407 1.00 0.00 O ATOM 1038 CB TRP A 62 12.104 3.095 -2.903 1.00 0.00 C ATOM 1039 CG TRP A 62 11.518 1.934 -2.153 1.00 0.00 C ATOM 1040 CD1 TRP A 62 11.886 1.514 -0.922 1.00 0.00 C ATOM 1041 CD2 TRP A 62 10.450 1.035 -2.574 1.00 0.00 C ATOM 1042 NE1 TRP A 62 11.113 0.435 -0.549 1.00 0.00 N ATOM 1043 CE2 TRP A 62 10.212 0.097 -1.529 1.00 0.00 C ATOM 1044 CE3 TRP A 62 9.655 0.916 -3.733 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 9.228 -0.896 -1.617 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 8.681 -0.093 -3.843 1.00 0.00 C ATOM 1047 CH2 TRP A 62 8.458 -0.995 -2.788 1.00 0.00 C ATOM 0 H TRP A 62 9.685 3.465 -2.614 1.00 0.00 H new ATOM 0 HA TRP A 62 11.994 4.806 -1.639 1.00 0.00 H new ATOM 0 HB2 TRP A 62 11.971 2.918 -3.970 1.00 0.00 H new ATOM 0 HB3 TRP A 62 13.177 3.120 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 62 12.667 1.957 -0.322 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.199 -0.052 0.343 1.00 0.00 H new ATOM 0 HE3 TRP A 62 9.796 1.610 -4.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 9.063 -1.577 -0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 8.098 -0.176 -4.748 1.00 0.00 H new ATOM 0 HH2 TRP A 62 7.700 -1.759 -2.877 1.00 0.00 H new ATOM 1058 N LYS A 63 11.265 5.286 -4.845 1.00 0.00 N ATOM 1059 CA LYS A 63 11.503 6.090 -6.036 1.00 0.00 C ATOM 1060 C LYS A 63 11.260 7.577 -5.795 1.00 0.00 C ATOM 1061 O LYS A 63 12.051 8.378 -6.268 1.00 0.00 O ATOM 1062 CB LYS A 63 10.632 5.562 -7.189 1.00 0.00 C ATOM 1063 CG LYS A 63 11.410 4.690 -8.182 1.00 0.00 C ATOM 1064 CD LYS A 63 12.002 3.409 -7.575 1.00 0.00 C ATOM 1065 CE LYS A 63 12.708 2.641 -8.695 1.00 0.00 C ATOM 1066 NZ LYS A 63 13.461 1.479 -8.191 1.00 0.00 N ATOM 0 H LYS A 63 10.620 4.514 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 63 12.555 5.996 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.806 4.983 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.195 6.406 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.747 4.416 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.219 5.282 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.705 3.654 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.216 2.799 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.969 2.304 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.389 3.312 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.921 0.992 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.185 1.800 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.810 0.824 -7.714 1.00 0.00 H new ATOM 1080 N ARG A 64 10.216 7.959 -5.057 1.00 0.00 N ATOM 1081 CA ARG A 64 9.902 9.367 -4.819 1.00 0.00 C ATOM 1082 C ARG A 64 11.001 10.125 -4.062 1.00 0.00 C ATOM 1083 O ARG A 64 10.967 11.349 -4.071 1.00 0.00 O ATOM 1084 CB ARG A 64 8.509 9.510 -4.188 1.00 0.00 C ATOM 1085 CG ARG A 64 8.549 9.163 -2.705 1.00 0.00 C ATOM 1086 CD ARG A 64 8.510 10.376 -1.765 1.00 0.00 C ATOM 1087 NE ARG A 64 7.134 10.809 -1.478 1.00 0.00 N ATOM 1088 CZ ARG A 64 6.299 10.255 -0.593 1.00 0.00 C ATOM 1089 NH1 ARG A 64 6.674 9.226 0.162 1.00 0.00 N ATOM 1090 NH2 ARG A 64 5.073 10.730 -0.459 1.00 0.00 N ATOM 0 H ARG A 64 9.570 7.307 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 64 9.871 9.860 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.149 10.531 -4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.804 8.856 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.705 8.513 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.455 8.592 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.013 10.127 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.063 11.201 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 64 6.783 11.609 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.615 8.844 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.020 8.819 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.766 11.517 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.434 10.309 0.215 1.00 0.00 H new ATOM 1104 N ILE A 65 11.935 9.439 -3.396 1.00 0.00 N ATOM 1105 CA ILE A 65 13.148 10.025 -2.824 1.00 0.00 C ATOM 1106 C ILE A 65 14.291 9.723 -3.800 1.00 0.00 C ATOM 1107 O ILE A 65 15.004 10.618 -4.252 1.00 0.00 O ATOM 1108 CB ILE A 65 13.415 9.455 -1.409 1.00 0.00 C ATOM 1109 CG1 ILE A 65 12.191 9.679 -0.490 1.00 0.00 C ATOM 1110 CG2 ILE A 65 14.682 10.089 -0.802 1.00 0.00 C ATOM 1111 CD1 ILE A 65 12.414 9.222 0.955 1.00 0.00 C ATOM 0 H ILE A 65 11.865 8.434 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 65 13.048 11.103 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 65 13.580 8.381 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.936 10.739 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.335 9.145 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.854 9.677 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.539 9.871 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 65 14.550 11.169 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.513 9.411 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.639 8.156 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.249 9.774 1.387 1.00 0.00 H new ATOM 1123 N LYS A 66 14.450 8.447 -4.160 1.00 0.00 N ATOM 1124 CA LYS A 66 15.472 7.880 -5.034 1.00 0.00 C ATOM 1125 C LYS A 66 15.236 8.257 -6.512 1.00 0.00 C ATOM 1126 O LYS A 66 15.377 7.398 -7.384 1.00 0.00 O ATOM 1127 CB LYS A 66 15.488 6.352 -4.772 1.00 0.00 C ATOM 1128 CG LYS A 66 16.876 5.699 -4.736 1.00 0.00 C ATOM 1129 CD LYS A 66 17.591 5.634 -6.088 1.00 0.00 C ATOM 1130 CE LYS A 66 18.803 4.709 -5.970 1.00 0.00 C ATOM 1131 NZ LYS A 66 19.434 4.425 -7.274 1.00 0.00 N ATOM 0 H LYS A 66 13.813 7.727 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 66 16.456 8.292 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.991 6.160 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.896 5.863 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 66 17.503 6.250 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.776 4.686 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.910 5.266 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.908 6.631 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.539 5.164 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.495 3.771 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.249 3.794 -7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.743 3.965 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.755 5.315 -7.706 1.00 0.00 H new ATOM 1145 N ALA A 67 14.869 9.502 -6.815 1.00 0.00 N ATOM 1146 CA ALA A 67 14.683 10.053 -8.149 1.00 0.00 C ATOM 1147 C ALA A 67 15.455 11.364 -8.219 1.00 0.00 C ATOM 1148 O ALA A 67 15.240 12.252 -7.393 1.00 0.00 O ATOM 1149 CB ALA A 67 13.196 10.293 -8.434 1.00 0.00 C ATOM 0 H ALA A 67 14.683 10.192 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 67 15.050 9.353 -8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.080 10.705 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.655 9.349 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.794 10.996 -7.704 1.00 0.00 H new ATOM 1155 N GLY A 68 16.361 11.487 -9.185 1.00 0.00 N ATOM 1156 CA GLY A 68 17.153 12.688 -9.395 1.00 0.00 C ATOM 1157 C GLY A 68 16.507 13.546 -10.468 1.00 0.00 C ATOM 1158 O GLY A 68 17.049 13.658 -11.572 1.00 0.00 O ATOM 0 H GLY A 68 16.566 10.743 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.232 13.250 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 68 18.167 12.419 -9.692 1.00 0.00 H new ATOM 1162 N ASN A 69 15.330 14.102 -10.183 1.00 0.00 N ATOM 1163 CA ASN A 69 14.571 14.947 -11.099 1.00 0.00 C ATOM 1164 C ASN A 69 13.785 15.967 -10.290 1.00 0.00 C ATOM 1165 O ASN A 69 13.527 15.759 -9.100 1.00 0.00 O ATOM 1166 CB ASN A 69 13.569 14.109 -11.914 1.00 0.00 C ATOM 1167 CG ASN A 69 14.228 13.339 -13.039 1.00 0.00 C ATOM 1168 OD1 ASN A 69 14.618 12.185 -12.884 1.00 0.00 O ATOM 1169 ND2 ASN A 69 14.383 13.948 -14.194 1.00 0.00 N ATOM 0 H ASN A 69 14.867 13.972 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 69 15.269 15.435 -11.779 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.062 13.410 -11.249 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.805 14.766 -12.328 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.830 13.462 -14.971 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.056 14.907 -14.313 1.00 0.00 H new ATOM 1176 N VAL A 70 13.332 17.025 -10.957 1.00 0.00 N ATOM 1177 CA VAL A 70 12.232 17.846 -10.450 1.00 0.00 C ATOM 1178 C VAL A 70 10.971 16.971 -10.524 1.00 0.00 C ATOM 1179 O VAL A 70 10.859 16.155 -11.441 1.00 0.00 O ATOM 1180 CB VAL A 70 12.128 19.142 -11.284 1.00 0.00 C ATOM 1181 CG1 VAL A 70 10.991 20.077 -10.841 1.00 0.00 C ATOM 1182 CG2 VAL A 70 13.431 19.947 -11.194 1.00 0.00 C ATOM 0 H VAL A 70 13.710 17.336 -11.852 1.00 0.00 H new ATOM 0 HA VAL A 70 12.382 18.167 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 70 11.925 18.805 -12.301 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.982 20.965 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.037 19.558 -10.931 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.146 20.373 -9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.339 20.856 -11.788 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.625 20.211 -10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.257 19.347 -11.576 1.00 0.00 H new ATOM 1192 N SER A 71 10.036 17.098 -9.583 1.00 0.00 N ATOM 1193 CA SER A 71 8.811 16.309 -9.541 1.00 0.00 C ATOM 1194 C SER A 71 7.726 17.234 -9.040 1.00 0.00 C ATOM 1195 O SER A 71 7.806 17.674 -7.877 1.00 0.00 O ATOM 1196 CB SER A 71 9.040 15.083 -8.641 1.00 0.00 C ATOM 1197 OG SER A 71 7.932 14.197 -8.587 1.00 0.00 O ATOM 0 H SER A 71 10.113 17.765 -8.815 1.00 0.00 H new ATOM 0 HA SER A 71 8.514 15.919 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.912 14.537 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.271 15.423 -7.631 1.00 0.00 H new ATOM 0 HG SER A 71 8.146 13.441 -8.001 1.00 0.00 H new TER 1203 SER A 71