USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 73 GLN : amide:sc= -0.437 K(o=-0.77,f=-1.3) USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.337 X(o=-0.77,f=-0.97) USER MOD Single : A 16 SER OG : rot 17:sc= 0.808 USER MOD Single : A 18 THR OG1 : rot -60:sc= 0.031! USER MOD Single : A 23 HIS : no HE2:sc= -3.38 K(o=-3.4,f=-3.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -57:sc= 0.874 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0.00193 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.882 (180deg=-2.67!) USER MOD Single : A 50 TYR OH : rot -140:sc= -1.97 USER MOD Single : A 52 LYS NZ :NH3+ -149:sc= -1.36 (180deg=-2.62) USER MOD Single : A 53 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -16:sc= 0.258 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -89:sc= -0.575 USER MOD Single : A 96 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 47:sc= -2.28! USER MOD Single : A 105 ASN : amide:sc= -2.68 K(o=-2.7,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -7.722 -18.177 -6.262 1.00 0.00 N ATOM 2 CA SER A 16 -7.449 -16.762 -5.888 1.00 0.00 C ATOM 3 C SER A 16 -6.052 -16.599 -5.288 1.00 0.00 C ATOM 4 O SER A 16 -5.290 -15.728 -5.705 1.00 0.00 O ATOM 5 CB SER A 16 -8.512 -16.297 -4.887 1.00 0.00 C ATOM 6 OG SER A 16 -9.649 -17.143 -4.917 1.00 0.00 O ATOM 0 HA SER A 16 -7.490 -16.149 -6.789 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.089 -16.287 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.810 -15.274 -5.118 1.00 0.00 H new ATOM 0 HG SER A 16 -9.420 -17.983 -5.367 1.00 0.00 H new ATOM 14 N PRO A 17 -5.690 -17.434 -4.297 1.00 0.00 N ATOM 15 CA PRO A 17 -4.378 -17.369 -3.646 1.00 0.00 C ATOM 16 C PRO A 17 -3.257 -17.924 -4.528 1.00 0.00 C ATOM 17 O PRO A 17 -2.452 -18.739 -4.079 1.00 0.00 O ATOM 18 CB PRO A 17 -4.545 -18.240 -2.388 1.00 0.00 C ATOM 19 CG PRO A 17 -5.997 -18.592 -2.320 1.00 0.00 C ATOM 20 CD PRO A 17 -6.520 -18.498 -3.722 1.00 0.00 C ATOM 0 HA PRO A 17 -4.091 -16.340 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.929 -19.137 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.232 -17.699 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.135 -19.597 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.532 -17.910 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.407 -19.438 -4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.580 -18.243 -3.744 1.00 0.00 H new ATOM 28 N THR A 18 -3.203 -17.472 -5.779 1.00 0.00 N ATOM 29 CA THR A 18 -2.181 -17.918 -6.714 1.00 0.00 C ATOM 30 C THR A 18 -2.189 -17.069 -7.986 1.00 0.00 C ATOM 31 O THR A 18 -1.150 -16.557 -8.402 1.00 0.00 O ATOM 32 CB THR A 18 -2.375 -19.392 -7.074 1.00 0.00 C ATOM 33 OG1 THR A 18 -3.063 -20.085 -6.048 1.00 0.00 O ATOM 34 CG2 THR A 18 -1.073 -20.122 -7.328 1.00 0.00 C ATOM 0 H THR A 18 -3.859 -16.794 -6.167 1.00 0.00 H new ATOM 0 HA THR A 18 -1.215 -17.800 -6.223 1.00 0.00 H new ATOM 0 HB THR A 18 -2.958 -19.383 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.549 -20.032 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.282 -21.162 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.546 -19.648 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.453 -20.082 -6.433 1.00 0.00 H new ATOM 42 N PRO A 19 -3.363 -16.911 -8.630 1.00 0.00 N ATOM 43 CA PRO A 19 -3.501 -16.133 -9.858 1.00 0.00 C ATOM 44 C PRO A 19 -3.716 -14.642 -9.596 1.00 0.00 C ATOM 45 O PRO A 19 -4.276 -13.934 -10.433 1.00 0.00 O ATOM 46 CB PRO A 19 -4.746 -16.740 -10.530 1.00 0.00 C ATOM 47 CG PRO A 19 -5.310 -17.736 -9.558 1.00 0.00 C ATOM 48 CD PRO A 19 -4.651 -17.481 -8.233 1.00 0.00 C ATOM 0 HA PRO A 19 -2.598 -16.184 -10.466 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.478 -15.966 -10.762 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.483 -17.222 -11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.391 -17.626 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.117 -18.755 -9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.229 -16.791 -7.618 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.530 -18.398 -7.656 1.00 0.00 H new ATOM 56 N VAL A 20 -3.268 -14.171 -8.433 1.00 0.00 N ATOM 57 CA VAL A 20 -3.410 -12.767 -8.059 1.00 0.00 C ATOM 58 C VAL A 20 -3.088 -11.831 -9.220 1.00 0.00 C ATOM 59 O VAL A 20 -2.096 -12.019 -9.924 1.00 0.00 O ATOM 60 CB VAL A 20 -2.486 -12.412 -6.880 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.023 -12.997 -5.584 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.069 -12.896 -7.151 1.00 0.00 C ATOM 0 H VAL A 20 -2.801 -14.746 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.452 -12.632 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.460 -11.327 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.356 -12.735 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.017 -12.594 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.082 -14.082 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.429 -12.637 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.073 -13.978 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.689 -12.420 -8.055 1.00 0.00 H new ATOM 72 N GLU A 21 -3.924 -10.817 -9.404 1.00 0.00 N ATOM 73 CA GLU A 21 -3.719 -9.844 -10.468 1.00 0.00 C ATOM 74 C GLU A 21 -2.986 -8.620 -9.932 1.00 0.00 C ATOM 75 O GLU A 21 -3.443 -7.974 -8.990 1.00 0.00 O ATOM 76 CB GLU A 21 -5.061 -9.432 -11.081 1.00 0.00 C ATOM 77 CG GLU A 21 -5.135 -9.650 -12.584 1.00 0.00 C ATOM 78 CD GLU A 21 -4.909 -8.373 -13.369 1.00 0.00 C ATOM 79 OE1 GLU A 21 -3.735 -8.021 -13.607 1.00 0.00 O ATOM 80 OE2 GLU A 21 -5.907 -7.726 -13.748 1.00 0.00 O ATOM 0 H GLU A 21 -4.750 -10.647 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.109 -10.304 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.860 -9.997 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.242 -8.379 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.390 -10.389 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.111 -10.062 -12.840 1.00 0.00 H new ATOM 87 N LEU A 22 -1.839 -8.314 -10.528 1.00 0.00 N ATOM 88 CA LEU A 22 -1.036 -7.179 -10.100 1.00 0.00 C ATOM 89 C LEU A 22 -1.799 -5.866 -10.230 1.00 0.00 C ATOM 90 O LEU A 22 -2.649 -5.709 -11.106 1.00 0.00 O ATOM 91 CB LEU A 22 0.249 -7.118 -10.918 1.00 0.00 C ATOM 92 CG LEU A 22 1.401 -7.939 -10.349 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.587 -7.929 -11.300 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.803 -7.406 -8.980 1.00 0.00 C ATOM 0 H LEU A 22 -1.446 -8.838 -11.310 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.795 -7.318 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.037 -7.465 -11.930 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.565 -6.078 -10.997 1.00 0.00 H new ATOM 0 HG LEU A 22 1.068 -8.971 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.398 -8.520 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.289 -8.356 -12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.925 -6.904 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.626 -8.001 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.118 -6.367 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.952 -7.468 -8.301 1.00 0.00 H new ATOM 106 N HIS A 23 -1.482 -4.925 -9.345 1.00 0.00 N ATOM 107 CA HIS A 23 -2.125 -3.619 -9.343 1.00 0.00 C ATOM 108 C HIS A 23 -1.244 -2.598 -8.622 1.00 0.00 C ATOM 109 O HIS A 23 -0.960 -2.738 -7.432 1.00 0.00 O ATOM 110 CB HIS A 23 -3.507 -3.720 -8.681 1.00 0.00 C ATOM 111 CG HIS A 23 -3.913 -2.512 -7.893 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.879 -1.231 -8.403 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.361 -2.396 -6.621 1.00 0.00 C ATOM 114 CE1 HIS A 23 -4.288 -0.381 -7.479 1.00 0.00 C ATOM 115 NE2 HIS A 23 -4.587 -1.062 -6.389 1.00 0.00 N ATOM 0 H HIS A 23 -0.779 -5.046 -8.616 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.259 -3.282 -10.371 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.253 -3.900 -9.455 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.516 -4.588 -8.021 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.584 -0.980 -9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.512 -3.203 -5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.365 0.690 -7.596 1.00 0.00 H new ATOM 124 N LYS A 24 -0.813 -1.575 -9.353 1.00 0.00 N ATOM 125 CA LYS A 24 0.035 -0.535 -8.784 1.00 0.00 C ATOM 126 C LYS A 24 -0.751 0.340 -7.814 1.00 0.00 C ATOM 127 O LYS A 24 -1.854 0.791 -8.127 1.00 0.00 O ATOM 128 CB LYS A 24 0.635 0.330 -9.897 1.00 0.00 C ATOM 129 CG LYS A 24 1.661 1.336 -9.399 1.00 0.00 C ATOM 130 CD LYS A 24 2.880 1.384 -10.305 1.00 0.00 C ATOM 131 CE LYS A 24 2.765 2.497 -11.333 1.00 0.00 C ATOM 132 NZ LYS A 24 4.099 2.938 -11.828 1.00 0.00 N ATOM 0 H LYS A 24 -1.037 -1.444 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 24 0.841 -1.021 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.104 -0.319 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.169 0.864 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.206 2.325 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.969 1.073 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.776 1.534 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.994 0.427 -10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.162 2.154 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.243 3.346 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.976 3.698 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.666 3.290 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.587 2.135 -12.272 1.00 0.00 H new ATOM 146 N VAL A 25 -0.184 0.570 -6.635 1.00 0.00 N ATOM 147 CA VAL A 25 -0.840 1.386 -5.620 1.00 0.00 C ATOM 148 C VAL A 25 0.122 2.411 -5.029 1.00 0.00 C ATOM 149 O VAL A 25 1.296 2.121 -4.801 1.00 0.00 O ATOM 150 CB VAL A 25 -1.415 0.528 -4.469 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.887 0.845 -4.244 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.219 -0.960 -4.739 1.00 0.00 C ATOM 0 H VAL A 25 0.727 0.204 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.660 1.898 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.867 0.778 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.271 0.230 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.997 1.898 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.448 0.634 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.633 -1.537 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.729 -1.232 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.155 -1.175 -4.835 1.00 0.00 H new ATOM 162 N THR A 26 -0.392 3.606 -4.774 1.00 0.00 N ATOM 163 CA THR A 26 0.403 4.682 -4.198 1.00 0.00 C ATOM 164 C THR A 26 -0.371 5.367 -3.073 1.00 0.00 C ATOM 165 O THR A 26 -1.357 6.060 -3.324 1.00 0.00 O ATOM 166 CB THR A 26 0.776 5.701 -5.276 1.00 0.00 C ATOM 167 OG1 THR A 26 1.530 5.088 -6.305 1.00 0.00 O ATOM 168 CG2 THR A 26 1.582 6.868 -4.747 1.00 0.00 C ATOM 0 H THR A 26 -1.363 3.856 -4.959 1.00 0.00 H new ATOM 0 HA THR A 26 1.318 4.257 -3.786 1.00 0.00 H new ATOM 0 HB THR A 26 -0.173 6.081 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.330 4.673 -5.921 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.812 7.552 -5.564 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.005 7.393 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.510 6.500 -4.309 1.00 0.00 H new ATOM 176 N LEU A 27 0.070 5.161 -1.837 1.00 0.00 N ATOM 177 CA LEU A 27 -0.600 5.752 -0.683 1.00 0.00 C ATOM 178 C LEU A 27 0.212 6.895 -0.083 1.00 0.00 C ATOM 179 O LEU A 27 1.392 7.068 -0.395 1.00 0.00 O ATOM 180 CB LEU A 27 -0.856 4.687 0.386 1.00 0.00 C ATOM 181 CG LEU A 27 -1.258 3.312 -0.151 1.00 0.00 C ATOM 182 CD1 LEU A 27 -1.257 2.282 0.969 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.624 3.379 -0.817 1.00 0.00 C ATOM 0 H LEU A 27 0.885 4.592 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.550 6.157 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.045 4.575 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.642 5.044 1.051 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.527 3.006 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.545 1.310 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.259 2.215 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.967 2.582 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.894 2.392 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.367 3.706 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.591 4.087 -1.645 1.00 0.00 H new ATOM 195 N TYR A 28 -0.433 7.670 0.785 1.00 0.00 N ATOM 196 CA TYR A 28 0.215 8.797 1.445 1.00 0.00 C ATOM 197 C TYR A 28 0.174 8.624 2.961 1.00 0.00 C ATOM 198 O TYR A 28 -0.775 8.055 3.503 1.00 0.00 O ATOM 199 CB TYR A 28 -0.468 10.110 1.052 1.00 0.00 C ATOM 200 CG TYR A 28 -0.830 10.194 -0.414 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.949 9.539 -0.912 1.00 0.00 C ATOM 202 CD2 TYR A 28 -0.054 10.931 -1.299 1.00 0.00 C ATOM 203 CE1 TYR A 28 -2.283 9.614 -2.251 1.00 0.00 C ATOM 204 CE2 TYR A 28 -0.381 11.011 -2.639 1.00 0.00 C ATOM 205 CZ TYR A 28 -1.497 10.351 -3.110 1.00 0.00 C ATOM 206 OH TYR A 28 -1.827 10.429 -4.444 1.00 0.00 O ATOM 0 H TYR A 28 -1.409 7.536 1.048 1.00 0.00 H new ATOM 0 HA TYR A 28 1.256 8.830 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.373 10.231 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.192 10.941 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.568 8.961 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.820 11.450 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.156 9.097 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.234 11.587 -3.314 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.171 10.988 -4.911 1.00 0.00 H new ATOM 216 N LYS A 29 1.207 9.110 3.641 1.00 0.00 N ATOM 217 CA LYS A 29 1.283 8.998 5.094 1.00 0.00 C ATOM 218 C LYS A 29 0.823 10.285 5.769 1.00 0.00 C ATOM 219 O LYS A 29 0.883 11.364 5.181 1.00 0.00 O ATOM 220 CB LYS A 29 2.713 8.666 5.526 1.00 0.00 C ATOM 221 CG LYS A 29 2.783 7.742 6.734 1.00 0.00 C ATOM 222 CD LYS A 29 3.525 8.392 7.893 1.00 0.00 C ATOM 223 CE LYS A 29 3.006 7.897 9.235 1.00 0.00 C ATOM 224 NZ LYS A 29 4.045 7.140 9.987 1.00 0.00 N ATOM 0 H LYS A 29 2.001 9.584 3.211 1.00 0.00 H new ATOM 0 HA LYS A 29 0.618 8.192 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.237 8.201 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.239 9.593 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.774 7.477 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.283 6.815 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.590 8.176 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.414 9.475 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.673 8.747 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.137 7.259 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.592 6.583 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.547 6.501 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.722 7.806 10.410 1.00 0.00 H new ATOM 238 N ASP A 30 0.362 10.161 7.010 1.00 0.00 N ATOM 239 CA ASP A 30 -0.110 11.313 7.772 1.00 0.00 C ATOM 240 C ASP A 30 0.796 11.579 8.970 1.00 0.00 C ATOM 241 O ASP A 30 1.488 10.681 9.451 1.00 0.00 O ATOM 242 CB ASP A 30 -1.549 11.085 8.241 1.00 0.00 C ATOM 243 CG ASP A 30 -2.449 12.266 7.939 1.00 0.00 C ATOM 244 OD1 ASP A 30 -2.506 13.198 8.769 1.00 0.00 O ATOM 245 OD2 ASP A 30 -3.098 12.261 6.871 1.00 0.00 O ATOM 0 H ASP A 30 0.305 9.274 7.510 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.084 12.186 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.949 10.194 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.553 10.894 9.314 1.00 0.00 H new ATOM 250 N SER A 31 0.788 12.820 9.449 1.00 0.00 N ATOM 251 CA SER A 31 1.610 13.205 10.590 1.00 0.00 C ATOM 252 C SER A 31 1.119 12.535 11.869 1.00 0.00 C ATOM 253 O SER A 31 0.383 13.134 12.653 1.00 0.00 O ATOM 254 CB SER A 31 1.600 14.725 10.763 1.00 0.00 C ATOM 255 OG SER A 31 2.546 15.135 11.734 1.00 0.00 O ATOM 0 H SER A 31 0.221 13.575 9.064 1.00 0.00 H new ATOM 0 HA SER A 31 2.630 12.873 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.823 15.204 9.809 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.604 15.054 11.060 1.00 0.00 H new ATOM 0 HG SER A 31 2.520 16.111 11.824 1.00 0.00 H new ATOM 261 N GLY A 32 1.535 11.289 12.075 1.00 0.00 N ATOM 262 CA GLY A 32 1.130 10.559 13.264 1.00 0.00 C ATOM 263 C GLY A 32 0.252 9.364 12.947 1.00 0.00 C ATOM 264 O GLY A 32 -0.491 8.888 13.807 1.00 0.00 O ATOM 0 H GLY A 32 2.144 10.772 11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.018 10.221 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.593 11.232 13.933 1.00 0.00 H new ATOM 268 N MET A 33 0.335 8.876 11.714 1.00 0.00 N ATOM 269 CA MET A 33 -0.461 7.729 11.292 1.00 0.00 C ATOM 270 C MET A 33 0.193 6.422 11.735 1.00 0.00 C ATOM 271 O MET A 33 1.354 6.160 11.420 1.00 0.00 O ATOM 272 CB MET A 33 -0.641 7.738 9.772 1.00 0.00 C ATOM 273 CG MET A 33 -2.083 7.938 9.333 1.00 0.00 C ATOM 274 SD MET A 33 -3.082 6.449 9.532 1.00 0.00 S ATOM 275 CE MET A 33 -4.631 7.153 10.091 1.00 0.00 C ATOM 0 H MET A 33 0.945 9.256 10.990 1.00 0.00 H new ATOM 0 HA MET A 33 -1.440 7.802 11.765 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.027 8.531 9.346 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.273 6.796 9.365 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.526 8.748 9.912 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.101 8.246 8.288 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.354 6.355 10.258 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.469 7.697 11.022 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.014 7.837 9.334 1.00 0.00 H new ATOM 285 N GLU A 34 -0.561 5.606 12.465 1.00 0.00 N ATOM 286 CA GLU A 34 -0.054 4.326 12.949 1.00 0.00 C ATOM 287 C GLU A 34 0.081 3.316 11.812 1.00 0.00 C ATOM 288 O GLU A 34 0.675 2.251 11.982 1.00 0.00 O ATOM 289 CB GLU A 34 -0.973 3.769 14.036 1.00 0.00 C ATOM 290 CG GLU A 34 -0.230 3.070 15.164 1.00 0.00 C ATOM 291 CD GLU A 34 0.213 1.671 14.789 1.00 0.00 C ATOM 292 OE1 GLU A 34 -0.648 0.864 14.378 1.00 0.00 O ATOM 293 OE2 GLU A 34 1.422 1.378 14.908 1.00 0.00 O ATOM 0 H GLU A 34 -1.524 5.808 12.734 1.00 0.00 H new ATOM 0 HA GLU A 34 0.937 4.497 13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.564 4.584 14.453 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.673 3.067 13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.643 3.662 15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.874 3.020 16.042 1.00 0.00 H new ATOM 300 N ASP A 35 -0.474 3.656 10.653 1.00 0.00 N ATOM 301 CA ASP A 35 -0.414 2.780 9.489 1.00 0.00 C ATOM 302 C ASP A 35 -0.576 3.581 8.202 1.00 0.00 C ATOM 303 O ASP A 35 -0.643 4.810 8.231 1.00 0.00 O ATOM 304 CB ASP A 35 -1.500 1.704 9.579 1.00 0.00 C ATOM 305 CG ASP A 35 -0.951 0.366 10.038 1.00 0.00 C ATOM 306 OD1 ASP A 35 -0.120 -0.216 9.310 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.352 -0.098 11.126 1.00 0.00 O ATOM 0 H ASP A 35 -0.971 4.533 10.495 1.00 0.00 H new ATOM 0 HA ASP A 35 0.563 2.297 9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.276 2.032 10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.972 1.585 8.604 1.00 0.00 H new ATOM 312 N PHE A 36 -0.639 2.882 7.074 1.00 0.00 N ATOM 313 CA PHE A 36 -0.793 3.537 5.781 1.00 0.00 C ATOM 314 C PHE A 36 -2.201 3.339 5.229 1.00 0.00 C ATOM 315 O PHE A 36 -2.405 3.311 4.015 1.00 0.00 O ATOM 316 CB PHE A 36 0.243 3.008 4.787 1.00 0.00 C ATOM 317 CG PHE A 36 1.201 4.062 4.315 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.826 4.971 3.339 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.478 4.146 4.848 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.706 5.944 2.903 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.362 5.116 4.418 1.00 0.00 C ATOM 322 CZ PHE A 36 2.976 6.017 3.444 1.00 0.00 C ATOM 0 H PHE A 36 -0.586 1.864 7.029 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.631 4.605 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.804 2.199 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.273 2.583 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.165 4.919 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.785 3.444 5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.402 6.646 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.354 5.170 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.665 6.777 3.106 1.00 0.00 H new ATOM 332 N GLY A 37 -3.170 3.209 6.129 1.00 0.00 N ATOM 333 CA GLY A 37 -4.547 3.025 5.711 1.00 0.00 C ATOM 334 C GLY A 37 -4.916 1.567 5.499 1.00 0.00 C ATOM 335 O GLY A 37 -6.007 1.267 5.012 1.00 0.00 O ATOM 0 H GLY A 37 -3.027 3.228 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.209 3.455 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.716 3.575 4.785 1.00 0.00 H new ATOM 339 N PHE A 38 -4.016 0.657 5.860 1.00 0.00 N ATOM 340 CA PHE A 38 -4.281 -0.769 5.696 1.00 0.00 C ATOM 341 C PHE A 38 -3.203 -1.622 6.363 1.00 0.00 C ATOM 342 O PHE A 38 -2.040 -1.227 6.437 1.00 0.00 O ATOM 343 CB PHE A 38 -4.402 -1.120 4.208 1.00 0.00 C ATOM 344 CG PHE A 38 -3.097 -1.174 3.457 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.014 -0.388 3.828 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.960 -2.018 2.367 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.825 -0.447 3.126 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.774 -2.081 1.661 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.706 -1.296 2.040 1.00 0.00 C ATOM 0 H PHE A 38 -3.106 0.878 6.264 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.227 -0.991 6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.896 -2.087 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.049 -0.386 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.102 0.277 4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.793 -2.636 2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.010 0.169 3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.684 -2.744 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.222 -1.344 1.490 1.00 0.00 H new ATOM 359 N SER A 39 -3.605 -2.798 6.847 1.00 0.00 N ATOM 360 CA SER A 39 -2.681 -3.711 7.510 1.00 0.00 C ATOM 361 C SER A 39 -2.581 -5.024 6.742 1.00 0.00 C ATOM 362 O SER A 39 -3.567 -5.492 6.168 1.00 0.00 O ATOM 363 CB SER A 39 -3.137 -3.980 8.946 1.00 0.00 C ATOM 364 OG SER A 39 -3.604 -2.794 9.563 1.00 0.00 O ATOM 0 H SER A 39 -4.565 -3.138 6.791 1.00 0.00 H new ATOM 0 HA SER A 39 -1.697 -3.244 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.929 -4.729 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.309 -4.392 9.523 1.00 0.00 H new ATOM 0 HG SER A 39 -3.891 -2.993 10.479 1.00 0.00 H new ATOM 370 N VAL A 40 -1.385 -5.607 6.730 1.00 0.00 N ATOM 371 CA VAL A 40 -1.146 -6.864 6.026 1.00 0.00 C ATOM 372 C VAL A 40 -0.851 -8.006 6.992 1.00 0.00 C ATOM 373 O VAL A 40 -0.576 -7.782 8.171 1.00 0.00 O ATOM 374 CB VAL A 40 0.023 -6.729 5.035 1.00 0.00 C ATOM 375 CG1 VAL A 40 -0.315 -5.725 3.943 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.298 -6.329 5.763 1.00 0.00 C ATOM 0 H VAL A 40 -0.564 -5.228 7.201 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.061 -7.095 5.480 1.00 0.00 H new ATOM 0 HB VAL A 40 0.190 -7.698 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.524 -5.643 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.200 -6.060 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.511 -4.751 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.114 -6.239 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.147 -5.372 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.548 -7.089 6.503 1.00 0.00 H new ATOM 386 N ALA A 41 -0.914 -9.233 6.480 1.00 0.00 N ATOM 387 CA ALA A 41 -0.656 -10.420 7.287 1.00 0.00 C ATOM 388 C ALA A 41 0.353 -11.336 6.606 1.00 0.00 C ATOM 389 O ALA A 41 0.584 -11.235 5.402 1.00 0.00 O ATOM 390 CB ALA A 41 -1.954 -11.168 7.549 1.00 0.00 C ATOM 0 H ALA A 41 -1.143 -9.430 5.506 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.233 -10.099 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.749 -12.052 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.647 -10.518 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.397 -11.471 6.600 1.00 0.00 H new ATOM 396 N ASP A 42 0.950 -12.235 7.383 1.00 0.00 N ATOM 397 CA ASP A 42 1.935 -13.171 6.851 1.00 0.00 C ATOM 398 C ASP A 42 1.263 -14.239 5.994 1.00 0.00 C ATOM 399 O ASP A 42 0.040 -14.384 6.008 1.00 0.00 O ATOM 400 CB ASP A 42 2.709 -13.831 7.995 1.00 0.00 C ATOM 401 CG ASP A 42 1.809 -14.637 8.913 1.00 0.00 C ATOM 402 OD1 ASP A 42 0.596 -14.342 8.963 1.00 0.00 O ATOM 403 OD2 ASP A 42 2.318 -15.559 9.582 1.00 0.00 O ATOM 0 H ASP A 42 0.769 -12.335 8.382 1.00 0.00 H new ATOM 0 HA ASP A 42 2.630 -12.613 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.478 -14.483 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.220 -13.063 8.575 1.00 0.00 H new ATOM 408 N GLY A 43 2.070 -14.987 5.249 1.00 0.00 N ATOM 409 CA GLY A 43 1.538 -16.034 4.398 1.00 0.00 C ATOM 410 C GLY A 43 1.817 -17.420 4.946 1.00 0.00 C ATOM 411 O GLY A 43 2.964 -17.759 5.234 1.00 0.00 O ATOM 0 H GLY A 43 3.085 -14.886 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.462 -15.899 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.973 -15.945 3.402 1.00 0.00 H new ATOM 415 N LEU A 44 0.767 -18.219 5.094 1.00 0.00 N ATOM 416 CA LEU A 44 0.909 -19.573 5.616 1.00 0.00 C ATOM 417 C LEU A 44 1.040 -20.595 4.488 1.00 0.00 C ATOM 418 O LEU A 44 1.165 -21.793 4.742 1.00 0.00 O ATOM 419 CB LEU A 44 -0.286 -19.925 6.507 1.00 0.00 C ATOM 420 CG LEU A 44 0.076 -20.468 7.890 1.00 0.00 C ATOM 421 CD1 LEU A 44 -1.179 -20.797 8.681 1.00 0.00 C ATOM 422 CD2 LEU A 44 0.965 -21.697 7.762 1.00 0.00 C ATOM 0 H LEU A 44 -0.190 -17.954 4.861 1.00 0.00 H new ATOM 0 HA LEU A 44 1.823 -19.607 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.901 -19.034 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.899 -20.665 5.992 1.00 0.00 H new ATOM 0 HG LEU A 44 0.627 -19.698 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.900 -21.182 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.780 -19.895 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.759 -21.550 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.214 -22.071 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.438 -22.471 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.881 -21.430 7.235 1.00 0.00 H new ATOM 434 N LEU A 45 1.010 -20.123 3.243 1.00 0.00 N ATOM 435 CA LEU A 45 1.124 -21.012 2.093 1.00 0.00 C ATOM 436 C LEU A 45 1.692 -20.280 0.878 1.00 0.00 C ATOM 437 O LEU A 45 1.537 -20.736 -0.255 1.00 0.00 O ATOM 438 CB LEU A 45 -0.243 -21.604 1.743 1.00 0.00 C ATOM 439 CG LEU A 45 -0.817 -22.576 2.776 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.263 -22.914 2.445 1.00 0.00 C ATOM 441 CD2 LEU A 45 0.026 -23.841 2.842 1.00 0.00 C ATOM 0 H LEU A 45 0.908 -19.136 3.008 1.00 0.00 H new ATOM 0 HA LEU A 45 1.810 -21.815 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.950 -20.786 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.163 -22.121 0.787 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.793 -22.095 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.655 -23.606 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.860 -22.002 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.312 -23.376 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.396 -24.521 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.033 -24.325 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.046 -23.584 3.126 1.00 0.00 H new ATOM 453 N GLU A 46 2.354 -19.151 1.115 1.00 0.00 N ATOM 454 CA GLU A 46 2.942 -18.370 0.030 1.00 0.00 C ATOM 455 C GLU A 46 4.108 -17.516 0.532 1.00 0.00 C ATOM 456 O GLU A 46 4.462 -16.519 -0.097 1.00 0.00 O ATOM 457 CB GLU A 46 1.884 -17.475 -0.616 1.00 0.00 C ATOM 458 CG GLU A 46 0.773 -18.244 -1.311 1.00 0.00 C ATOM 459 CD GLU A 46 1.285 -19.112 -2.444 1.00 0.00 C ATOM 460 OE1 GLU A 46 2.292 -18.728 -3.077 1.00 0.00 O ATOM 461 OE2 GLU A 46 0.680 -20.174 -2.698 1.00 0.00 O ATOM 0 H GLU A 46 2.497 -18.757 2.045 1.00 0.00 H new ATOM 0 HA GLU A 46 3.324 -19.069 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.446 -16.835 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.368 -16.820 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.259 -18.870 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.038 -17.540 -1.701 1.00 0.00 H new ATOM 468 N LYS A 47 4.696 -17.921 1.663 1.00 0.00 N ATOM 469 CA LYS A 47 5.827 -17.208 2.269 1.00 0.00 C ATOM 470 C LYS A 47 5.857 -15.730 1.871 1.00 0.00 C ATOM 471 O LYS A 47 6.886 -15.213 1.433 1.00 0.00 O ATOM 472 CB LYS A 47 7.142 -17.887 1.876 1.00 0.00 C ATOM 473 CG LYS A 47 7.648 -18.876 2.915 1.00 0.00 C ATOM 474 CD LYS A 47 7.890 -18.202 4.257 1.00 0.00 C ATOM 475 CE LYS A 47 7.004 -18.788 5.345 1.00 0.00 C ATOM 476 NZ LYS A 47 5.819 -17.928 5.619 1.00 0.00 N ATOM 0 H LYS A 47 4.403 -18.749 2.183 1.00 0.00 H new ATOM 0 HA LYS A 47 5.701 -17.250 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.004 -18.407 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.902 -17.123 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.922 -19.680 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.574 -19.332 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.937 -18.316 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.699 -17.133 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.670 -19.781 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.584 -18.909 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.557 -18.007 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.050 -16.938 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.021 -18.238 5.028 1.00 0.00 H new ATOM 490 N GLY A 48 4.721 -15.057 2.024 1.00 0.00 N ATOM 491 CA GLY A 48 4.639 -13.650 1.675 1.00 0.00 C ATOM 492 C GLY A 48 3.718 -12.876 2.596 1.00 0.00 C ATOM 493 O GLY A 48 3.335 -13.367 3.658 1.00 0.00 O ATOM 0 H GLY A 48 3.856 -15.460 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.636 -13.211 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.286 -13.554 0.648 1.00 0.00 H new ATOM 497 N VAL A 49 3.361 -11.661 2.190 1.00 0.00 N ATOM 498 CA VAL A 49 2.480 -10.817 2.986 1.00 0.00 C ATOM 499 C VAL A 49 1.408 -10.164 2.118 1.00 0.00 C ATOM 500 O VAL A 49 1.681 -9.723 1.001 1.00 0.00 O ATOM 501 CB VAL A 49 3.272 -9.718 3.726 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.339 -8.833 4.542 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.339 -10.336 4.617 1.00 0.00 C ATOM 0 H VAL A 49 3.669 -11.240 1.314 1.00 0.00 H new ATOM 0 HA VAL A 49 2.000 -11.464 3.720 1.00 0.00 H new ATOM 0 HB VAL A 49 3.765 -9.094 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.920 -8.066 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.616 -8.358 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.812 -9.441 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.887 -9.546 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.866 -10.987 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.029 -10.919 4.007 1.00 0.00 H new ATOM 513 N TYR A 50 0.190 -10.103 2.644 1.00 0.00 N ATOM 514 CA TYR A 50 -0.929 -9.501 1.924 1.00 0.00 C ATOM 515 C TYR A 50 -1.791 -8.676 2.871 1.00 0.00 C ATOM 516 O TYR A 50 -1.834 -8.940 4.072 1.00 0.00 O ATOM 517 CB TYR A 50 -1.787 -10.577 1.248 1.00 0.00 C ATOM 518 CG TYR A 50 -1.224 -11.971 1.378 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.076 -12.340 0.692 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.834 -12.913 2.193 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.450 -13.609 0.813 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.318 -14.184 2.320 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.175 -14.530 1.628 1.00 0.00 C ATOM 524 OH TYR A 50 0.346 -15.797 1.755 1.00 0.00 O ATOM 0 H TYR A 50 -0.049 -10.463 3.568 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.519 -8.847 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.787 -10.557 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.892 -10.334 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.414 -11.621 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.728 -12.646 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.345 -13.880 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.806 -14.906 2.958 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.384 -16.451 1.772 1.00 0.00 H new ATOM 534 N VAL A 51 -2.481 -7.683 2.326 1.00 0.00 N ATOM 535 CA VAL A 51 -3.348 -6.833 3.131 1.00 0.00 C ATOM 536 C VAL A 51 -4.393 -7.671 3.863 1.00 0.00 C ATOM 537 O VAL A 51 -4.635 -8.825 3.508 1.00 0.00 O ATOM 538 CB VAL A 51 -4.052 -5.768 2.268 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.907 -4.855 3.130 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.028 -4.961 1.483 1.00 0.00 C ATOM 0 H VAL A 51 -2.458 -7.447 1.334 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.718 -6.324 3.861 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.707 -6.277 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.394 -4.111 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.664 -5.446 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.277 -4.352 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.540 -4.213 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.348 -4.464 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.461 -5.627 0.833 1.00 0.00 H new ATOM 550 N LYS A 52 -5.000 -7.092 4.893 1.00 0.00 N ATOM 551 CA LYS A 52 -6.007 -7.799 5.676 1.00 0.00 C ATOM 552 C LYS A 52 -7.133 -6.871 6.109 1.00 0.00 C ATOM 553 O LYS A 52 -8.290 -7.280 6.196 1.00 0.00 O ATOM 554 CB LYS A 52 -5.365 -8.440 6.907 1.00 0.00 C ATOM 555 CG LYS A 52 -4.597 -7.458 7.778 1.00 0.00 C ATOM 556 CD LYS A 52 -4.616 -7.879 9.238 1.00 0.00 C ATOM 557 CE LYS A 52 -3.861 -9.181 9.453 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.706 -10.369 9.149 1.00 0.00 N ATOM 0 H LYS A 52 -4.813 -6.139 5.204 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.433 -8.575 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.143 -8.913 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.688 -9.230 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.566 -7.391 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.032 -6.464 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.171 -7.094 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.647 -7.996 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.974 -9.195 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.517 -9.235 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.418 -11.164 9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.704 -10.140 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.586 -10.634 8.151 1.00 0.00 H new ATOM 572 N ASN A 53 -6.788 -5.624 6.376 1.00 0.00 N ATOM 573 CA ASN A 53 -7.774 -4.636 6.799 1.00 0.00 C ATOM 574 C ASN A 53 -7.444 -3.261 6.232 1.00 0.00 C ATOM 575 O ASN A 53 -6.351 -2.743 6.443 1.00 0.00 O ATOM 576 CB ASN A 53 -7.839 -4.570 8.326 1.00 0.00 C ATOM 577 CG ASN A 53 -8.721 -5.652 8.916 1.00 0.00 C ATOM 578 OD1 ASN A 53 -9.948 -5.575 8.846 1.00 0.00 O ATOM 579 ND2 ASN A 53 -8.100 -6.669 9.500 1.00 0.00 N ATOM 0 H ASN A 53 -5.834 -5.268 6.309 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.747 -4.943 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.832 -4.664 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.216 -3.593 8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.642 -7.428 9.914 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.081 -6.692 9.535 1.00 0.00 H new ATOM 586 N ILE A 54 -8.398 -2.675 5.512 1.00 0.00 N ATOM 587 CA ILE A 54 -8.206 -1.359 4.918 1.00 0.00 C ATOM 588 C ILE A 54 -9.287 -0.385 5.371 1.00 0.00 C ATOM 589 O ILE A 54 -10.478 -0.632 5.183 1.00 0.00 O ATOM 590 CB ILE A 54 -8.219 -1.430 3.380 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.258 -2.524 2.890 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.867 -0.069 2.790 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.461 -2.152 1.653 1.00 0.00 C ATOM 0 H ILE A 54 -9.310 -3.092 5.327 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.232 -1.003 5.255 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.221 -1.693 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.564 -2.768 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.832 -3.427 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.879 -0.130 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.597 0.670 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.873 0.227 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.809 -2.981 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.144 -1.938 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.857 -1.269 1.861 1.00 0.00 H new ATOM 605 N ARG A 55 -8.866 0.728 5.959 1.00 0.00 N ATOM 606 CA ARG A 55 -9.800 1.744 6.425 1.00 0.00 C ATOM 607 C ARG A 55 -10.508 2.400 5.241 1.00 0.00 C ATOM 608 O ARG A 55 -9.866 3.028 4.400 1.00 0.00 O ATOM 609 CB ARG A 55 -9.066 2.805 7.249 1.00 0.00 C ATOM 610 CG ARG A 55 -8.844 2.404 8.698 1.00 0.00 C ATOM 611 CD ARG A 55 -8.806 3.617 9.615 1.00 0.00 C ATOM 612 NE ARG A 55 -9.731 3.482 10.739 1.00 0.00 N ATOM 613 CZ ARG A 55 -9.606 2.566 11.696 1.00 0.00 C ATOM 614 NH1 ARG A 55 -8.604 1.698 11.667 1.00 0.00 N ATOM 615 NH2 ARG A 55 -10.488 2.517 12.684 1.00 0.00 N ATOM 0 H ARG A 55 -7.884 0.949 6.124 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.546 1.262 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.101 3.010 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.636 3.733 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.641 1.731 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.908 1.852 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.793 3.754 9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.057 4.511 9.044 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.519 4.128 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.923 1.730 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.514 0.998 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.262 3.181 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.393 1.815 13.418 1.00 0.00 H new ATOM 629 N PRO A 56 -11.844 2.264 5.149 1.00 0.00 N ATOM 630 CA PRO A 56 -12.621 2.847 4.050 1.00 0.00 C ATOM 631 C PRO A 56 -12.719 4.369 4.143 1.00 0.00 C ATOM 632 O PRO A 56 -13.815 4.930 4.162 1.00 0.00 O ATOM 633 CB PRO A 56 -14.002 2.212 4.218 1.00 0.00 C ATOM 634 CG PRO A 56 -14.095 1.887 5.668 1.00 0.00 C ATOM 635 CD PRO A 56 -12.700 1.529 6.102 1.00 0.00 C ATOM 0 HA PRO A 56 -12.160 2.654 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.793 2.898 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.104 1.317 3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.474 2.737 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.782 1.058 5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.509 1.834 7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.527 0.454 6.051 1.00 0.00 H new ATOM 643 N ALA A 57 -11.567 5.032 4.191 1.00 0.00 N ATOM 644 CA ALA A 57 -11.524 6.482 4.272 1.00 0.00 C ATOM 645 C ALA A 57 -10.095 6.998 4.142 1.00 0.00 C ATOM 646 O ALA A 57 -9.812 7.878 3.329 1.00 0.00 O ATOM 647 CB ALA A 57 -12.147 6.960 5.576 1.00 0.00 C ATOM 0 H ALA A 57 -10.651 4.584 4.175 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.103 6.884 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.107 8.048 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.186 6.633 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.595 6.541 6.418 1.00 0.00 H new ATOM 653 N GLY A 58 -9.197 6.446 4.951 1.00 0.00 N ATOM 654 CA GLY A 58 -7.808 6.861 4.915 1.00 0.00 C ATOM 655 C GLY A 58 -7.175 6.665 3.551 1.00 0.00 C ATOM 656 O GLY A 58 -7.870 6.367 2.579 1.00 0.00 O ATOM 0 H GLY A 58 -9.408 5.717 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.740 7.912 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.245 6.296 5.657 1.00 0.00 H new ATOM 660 N PRO A 59 -5.846 6.829 3.446 1.00 0.00 N ATOM 661 CA PRO A 59 -5.127 6.667 2.178 1.00 0.00 C ATOM 662 C PRO A 59 -5.414 5.324 1.516 1.00 0.00 C ATOM 663 O PRO A 59 -5.416 5.212 0.290 1.00 0.00 O ATOM 664 CB PRO A 59 -3.656 6.758 2.585 1.00 0.00 C ATOM 665 CG PRO A 59 -3.658 7.539 3.852 1.00 0.00 C ATOM 666 CD PRO A 59 -4.940 7.186 4.553 1.00 0.00 C ATOM 0 HA PRO A 59 -5.426 7.416 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.224 5.768 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.063 7.253 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.794 7.287 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.605 8.609 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.804 6.355 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.325 8.025 5.133 1.00 0.00 H new ATOM 674 N GLY A 60 -5.654 4.305 2.336 1.00 0.00 N ATOM 675 CA GLY A 60 -5.937 2.982 1.813 1.00 0.00 C ATOM 676 C GLY A 60 -7.123 2.971 0.868 1.00 0.00 C ATOM 677 O GLY A 60 -7.030 2.468 -0.252 1.00 0.00 O ATOM 0 H GLY A 60 -5.657 4.373 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.057 2.606 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.131 2.301 2.642 1.00 0.00 H new ATOM 681 N ASP A 61 -8.242 3.534 1.317 1.00 0.00 N ATOM 682 CA ASP A 61 -9.447 3.592 0.502 1.00 0.00 C ATOM 683 C ASP A 61 -9.290 4.627 -0.605 1.00 0.00 C ATOM 684 O ASP A 61 -9.828 4.469 -1.700 1.00 0.00 O ATOM 685 CB ASP A 61 -10.660 3.932 1.369 1.00 0.00 C ATOM 686 CG ASP A 61 -11.969 3.539 0.711 1.00 0.00 C ATOM 687 OD1 ASP A 61 -12.289 2.331 0.700 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.675 4.438 0.209 1.00 0.00 O ATOM 0 H ASP A 61 -8.337 3.956 2.241 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.603 2.614 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.572 3.423 2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.667 5.002 1.576 1.00 0.00 H new ATOM 693 N LEU A 62 -8.551 5.689 -0.305 1.00 0.00 N ATOM 694 CA LEU A 62 -8.321 6.755 -1.268 1.00 0.00 C ATOM 695 C LEU A 62 -7.638 6.221 -2.523 1.00 0.00 C ATOM 696 O LEU A 62 -7.986 6.603 -3.640 1.00 0.00 O ATOM 697 CB LEU A 62 -7.471 7.863 -0.641 1.00 0.00 C ATOM 698 CG LEU A 62 -8.163 8.665 0.462 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.165 9.568 1.173 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.310 9.484 -0.113 1.00 0.00 C ATOM 0 H LEU A 62 -8.101 5.833 0.599 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.289 7.166 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.565 7.417 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.160 8.550 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.572 7.965 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.676 10.131 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.378 8.960 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.726 10.261 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.791 10.048 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.924 10.174 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.038 8.817 -0.575 1.00 0.00 H new ATOM 712 N GLY A 63 -6.664 5.337 -2.333 1.00 0.00 N ATOM 713 CA GLY A 63 -5.950 4.766 -3.459 1.00 0.00 C ATOM 714 C GLY A 63 -6.748 3.691 -4.168 1.00 0.00 C ATOM 715 O GLY A 63 -6.905 3.727 -5.390 1.00 0.00 O ATOM 0 H GLY A 63 -6.357 5.006 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.703 5.557 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.007 4.344 -3.111 1.00 0.00 H new ATOM 719 N GLY A 64 -7.257 2.730 -3.403 1.00 0.00 N ATOM 720 CA GLY A 64 -8.039 1.654 -3.982 1.00 0.00 C ATOM 721 C GLY A 64 -7.484 0.286 -3.639 1.00 0.00 C ATOM 722 O GLY A 64 -7.419 -0.597 -4.495 1.00 0.00 O ATOM 0 H GLY A 64 -7.141 2.678 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.067 1.725 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.066 1.771 -5.065 1.00 0.00 H new ATOM 726 N LEU A 65 -7.084 0.109 -2.385 1.00 0.00 N ATOM 727 CA LEU A 65 -6.530 -1.161 -1.929 1.00 0.00 C ATOM 728 C LEU A 65 -7.628 -2.064 -1.372 1.00 0.00 C ATOM 729 O LEU A 65 -8.605 -1.586 -0.797 1.00 0.00 O ATOM 730 CB LEU A 65 -5.463 -0.924 -0.861 1.00 0.00 C ATOM 731 CG LEU A 65 -4.208 -0.195 -1.345 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.508 0.488 -0.180 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.265 -1.163 -2.041 1.00 0.00 C ATOM 0 H LEU A 65 -7.133 0.830 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.073 -1.656 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.907 -0.349 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.167 -1.887 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.507 0.569 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.617 1.002 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.184 1.211 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.221 -0.259 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.378 -0.627 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.971 -1.949 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.769 -1.608 -2.899 1.00 0.00 H new ATOM 745 N LYS A 66 -7.456 -3.371 -1.544 1.00 0.00 N ATOM 746 CA LYS A 66 -8.429 -4.341 -1.055 1.00 0.00 C ATOM 747 C LYS A 66 -7.730 -5.555 -0.448 1.00 0.00 C ATOM 748 O LYS A 66 -6.548 -5.791 -0.701 1.00 0.00 O ATOM 749 CB LYS A 66 -9.358 -4.785 -2.188 1.00 0.00 C ATOM 750 CG LYS A 66 -8.639 -5.047 -3.502 1.00 0.00 C ATOM 751 CD LYS A 66 -9.604 -5.026 -4.677 1.00 0.00 C ATOM 752 CE LYS A 66 -10.144 -6.416 -4.975 1.00 0.00 C ATOM 753 NZ LYS A 66 -11.575 -6.378 -5.386 1.00 0.00 N ATOM 0 H LYS A 66 -6.652 -3.782 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.023 -3.860 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.880 -5.692 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.116 -4.018 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.865 -4.294 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.138 -6.014 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.432 -4.351 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.098 -4.634 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.551 -6.874 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.036 -7.045 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.906 -7.345 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.145 -5.964 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.674 -5.799 -6.244 1.00 0.00 H new ATOM 767 N PRO A 67 -8.453 -6.345 0.365 1.00 0.00 N ATOM 768 CA PRO A 67 -7.894 -7.537 1.010 1.00 0.00 C ATOM 769 C PRO A 67 -7.254 -8.490 0.003 1.00 0.00 C ATOM 770 O PRO A 67 -7.695 -8.581 -1.142 1.00 0.00 O ATOM 771 CB PRO A 67 -9.108 -8.192 1.673 1.00 0.00 C ATOM 772 CG PRO A 67 -10.077 -7.079 1.872 1.00 0.00 C ATOM 773 CD PRO A 67 -9.868 -6.135 0.721 1.00 0.00 C ATOM 0 HA PRO A 67 -7.099 -7.285 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.529 -8.975 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.838 -8.657 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.101 -7.452 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.904 -6.577 2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.531 -6.364 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.062 -5.101 1.008 1.00 0.00 H new ATOM 781 N TYR A 68 -6.205 -9.190 0.444 1.00 0.00 N ATOM 782 CA TYR A 68 -5.475 -10.144 -0.401 1.00 0.00 C ATOM 783 C TYR A 68 -4.348 -9.454 -1.168 1.00 0.00 C ATOM 784 O TYR A 68 -3.489 -10.119 -1.746 1.00 0.00 O ATOM 785 CB TYR A 68 -6.407 -10.860 -1.387 1.00 0.00 C ATOM 786 CG TYR A 68 -7.709 -11.324 -0.773 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.741 -11.890 0.494 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.907 -11.197 -1.467 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.932 -12.317 1.054 1.00 0.00 C ATOM 790 CE2 TYR A 68 -10.100 -11.621 -0.913 1.00 0.00 C ATOM 791 CZ TYR A 68 -10.106 -12.180 0.347 1.00 0.00 C ATOM 792 OH TYR A 68 -11.293 -12.603 0.901 1.00 0.00 O ATOM 0 H TYR A 68 -5.838 -9.113 1.392 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.044 -10.889 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.627 -10.188 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.886 -11.722 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.822 -11.999 1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.905 -10.760 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.941 -12.756 2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.023 -11.515 -1.464 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.026 -12.434 0.273 1.00 0.00 H new ATOM 802 N ASP A 69 -4.359 -8.123 -1.171 1.00 0.00 N ATOM 803 CA ASP A 69 -3.341 -7.340 -1.865 1.00 0.00 C ATOM 804 C ASP A 69 -1.941 -7.765 -1.438 1.00 0.00 C ATOM 805 O ASP A 69 -1.350 -7.177 -0.533 1.00 0.00 O ATOM 806 CB ASP A 69 -3.542 -5.850 -1.587 1.00 0.00 C ATOM 807 CG ASP A 69 -4.448 -5.185 -2.606 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.490 -5.781 -2.950 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.116 -4.069 -3.056 1.00 0.00 O ATOM 0 H ASP A 69 -5.067 -7.562 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.443 -7.522 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.967 -5.724 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.573 -5.350 -1.586 1.00 0.00 H new ATOM 814 N ARG A 70 -1.418 -8.792 -2.094 1.00 0.00 N ATOM 815 CA ARG A 70 -0.090 -9.302 -1.787 1.00 0.00 C ATOM 816 C ARG A 70 0.982 -8.351 -2.314 1.00 0.00 C ATOM 817 O ARG A 70 1.369 -8.420 -3.479 1.00 0.00 O ATOM 818 CB ARG A 70 0.078 -10.696 -2.392 1.00 0.00 C ATOM 819 CG ARG A 70 1.508 -11.221 -2.363 1.00 0.00 C ATOM 820 CD ARG A 70 1.668 -12.452 -3.240 1.00 0.00 C ATOM 821 NE ARG A 70 0.688 -13.486 -2.918 1.00 0.00 N ATOM 822 CZ ARG A 70 0.737 -14.728 -3.399 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.713 -15.090 -4.222 1.00 0.00 N ATOM 824 NH2 ARG A 70 -0.193 -15.608 -3.056 1.00 0.00 N ATOM 0 H ARG A 70 -1.896 -9.290 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 70 0.024 -9.372 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.564 -11.393 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.269 -10.676 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.190 -10.441 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.786 -11.465 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.563 -12.167 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.673 -12.855 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.078 -13.244 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.431 -14.416 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.746 -16.042 -4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.946 -15.335 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.156 -16.559 -3.424 1.00 0.00 H new ATOM 838 N LEU A 71 1.456 -7.463 -1.445 1.00 0.00 N ATOM 839 CA LEU A 71 2.484 -6.496 -1.819 1.00 0.00 C ATOM 840 C LEU A 71 3.720 -7.200 -2.365 1.00 0.00 C ATOM 841 O LEU A 71 4.426 -7.892 -1.633 1.00 0.00 O ATOM 842 CB LEU A 71 2.864 -5.632 -0.613 1.00 0.00 C ATOM 843 CG LEU A 71 1.703 -4.873 0.033 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.766 -4.986 1.548 1.00 0.00 C ATOM 845 CD2 LEU A 71 1.713 -3.411 -0.399 1.00 0.00 C ATOM 0 H LEU A 71 1.145 -7.393 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 71 2.078 -5.856 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.325 -6.270 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.620 -4.911 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 71 0.769 -5.323 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.932 -4.440 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.706 -6.035 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.705 -4.564 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.880 -2.887 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.651 -2.948 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.615 -3.351 -1.483 1.00 0.00 H new ATOM 857 N LEU A 72 3.978 -7.020 -3.657 1.00 0.00 N ATOM 858 CA LEU A 72 5.132 -7.643 -4.295 1.00 0.00 C ATOM 859 C LEU A 72 6.401 -6.839 -4.030 1.00 0.00 C ATOM 860 O LEU A 72 7.332 -7.324 -3.387 1.00 0.00 O ATOM 861 CB LEU A 72 4.906 -7.780 -5.803 1.00 0.00 C ATOM 862 CG LEU A 72 3.629 -8.517 -6.233 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.825 -9.153 -7.600 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.219 -9.579 -5.216 1.00 0.00 C ATOM 0 H LEU A 72 3.406 -6.450 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 72 5.255 -8.637 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.888 -6.781 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.763 -8.300 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 72 2.827 -7.781 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.913 -9.672 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.053 -8.379 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.649 -9.865 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.312 -10.078 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.019 -10.312 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.033 -9.107 -4.251 1.00 0.00 H new ATOM 876 N GLN A 73 6.433 -5.610 -4.535 1.00 0.00 N ATOM 877 CA GLN A 73 7.589 -4.741 -4.355 1.00 0.00 C ATOM 878 C GLN A 73 7.160 -3.332 -3.954 1.00 0.00 C ATOM 879 O GLN A 73 6.168 -2.807 -4.460 1.00 0.00 O ATOM 880 CB GLN A 73 8.415 -4.684 -5.642 1.00 0.00 C ATOM 881 CG GLN A 73 7.639 -4.160 -6.839 1.00 0.00 C ATOM 882 CD GLN A 73 8.383 -3.067 -7.584 1.00 0.00 C ATOM 883 OE1 GLN A 73 9.367 -3.331 -8.275 1.00 0.00 O ATOM 884 NE2 GLN A 73 7.913 -1.833 -7.447 1.00 0.00 N ATOM 0 H GLN A 73 5.672 -5.194 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 73 8.199 -5.157 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.286 -4.049 -5.477 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.787 -5.683 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.432 -4.984 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.676 -3.775 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.094 -1.661 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.371 -1.057 -7.925 1.00 0.00 H new ATOM 893 N VAL A 74 7.913 -2.728 -3.040 1.00 0.00 N ATOM 894 CA VAL A 74 7.613 -1.382 -2.571 1.00 0.00 C ATOM 895 C VAL A 74 8.759 -0.425 -2.886 1.00 0.00 C ATOM 896 O VAL A 74 9.869 -0.581 -2.383 1.00 0.00 O ATOM 897 CB VAL A 74 7.346 -1.361 -1.055 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.868 0.014 -0.611 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.336 -2.434 -0.677 1.00 0.00 C ATOM 0 H VAL A 74 8.736 -3.151 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 74 6.714 -1.057 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 74 8.281 -1.576 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.685 0.006 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.631 0.757 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.945 0.265 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.159 -2.405 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.399 -2.253 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.725 -3.414 -0.954 1.00 0.00 H new ATOM 909 N ASN A 75 8.484 0.565 -3.727 1.00 0.00 N ATOM 910 CA ASN A 75 9.497 1.542 -4.110 1.00 0.00 C ATOM 911 C ASN A 75 10.571 0.891 -4.973 1.00 0.00 C ATOM 912 O ASN A 75 11.723 1.328 -4.980 1.00 0.00 O ATOM 913 CB ASN A 75 10.131 2.173 -2.865 1.00 0.00 C ATOM 914 CG ASN A 75 9.965 3.680 -2.832 1.00 0.00 C ATOM 915 OD1 ASN A 75 10.910 4.427 -3.084 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.756 4.135 -2.520 1.00 0.00 N ATOM 0 H ASN A 75 7.570 0.713 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 75 9.012 2.326 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.679 1.741 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.192 1.926 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.583 5.140 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.001 3.480 -2.318 1.00 0.00 H new ATOM 923 N HIS A 76 10.182 -0.158 -5.699 1.00 0.00 N ATOM 924 CA HIS A 76 11.097 -0.891 -6.578 1.00 0.00 C ATOM 925 C HIS A 76 11.862 -1.975 -5.818 1.00 0.00 C ATOM 926 O HIS A 76 12.580 -2.771 -6.424 1.00 0.00 O ATOM 927 CB HIS A 76 12.082 0.061 -7.264 1.00 0.00 C ATOM 928 CG HIS A 76 12.303 -0.249 -8.712 1.00 0.00 C ATOM 929 ND1 HIS A 76 11.288 -0.632 -9.564 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.432 -0.230 -9.460 1.00 0.00 C ATOM 931 CE1 HIS A 76 11.784 -0.835 -10.772 1.00 0.00 C ATOM 932 NE2 HIS A 76 13.082 -0.598 -10.735 1.00 0.00 N ATOM 0 H HIS A 76 9.229 -0.523 -5.695 1.00 0.00 H new ATOM 0 HA HIS A 76 10.487 -1.376 -7.341 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.712 1.082 -7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.038 0.020 -6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.423 0.027 -9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.223 -1.143 -11.642 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.721 -0.676 -11.526 1.00 0.00 H new ATOM 941 N VAL A 77 11.714 -2.008 -4.494 1.00 0.00 N ATOM 942 CA VAL A 77 12.403 -3.007 -3.684 1.00 0.00 C ATOM 943 C VAL A 77 11.624 -4.322 -3.645 1.00 0.00 C ATOM 944 O VAL A 77 10.408 -4.329 -3.457 1.00 0.00 O ATOM 945 CB VAL A 77 12.649 -2.505 -2.242 1.00 0.00 C ATOM 946 CG1 VAL A 77 11.380 -2.573 -1.405 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.770 -3.298 -1.588 1.00 0.00 C ATOM 0 H VAL A 77 11.129 -1.361 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 77 13.369 -3.182 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 77 12.950 -1.459 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.589 -2.213 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.610 -1.950 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.031 -3.604 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.931 -2.932 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 77 13.498 -4.353 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 77 14.686 -3.178 -2.166 1.00 0.00 H new ATOM 957 N ARG A 78 12.333 -5.430 -3.827 1.00 0.00 N ATOM 958 CA ARG A 78 11.709 -6.747 -3.815 1.00 0.00 C ATOM 959 C ARG A 78 11.259 -7.125 -2.406 1.00 0.00 C ATOM 960 O ARG A 78 12.075 -7.239 -1.493 1.00 0.00 O ATOM 961 CB ARG A 78 12.680 -7.801 -4.352 1.00 0.00 C ATOM 962 CG ARG A 78 12.807 -7.793 -5.866 1.00 0.00 C ATOM 963 CD ARG A 78 12.889 -9.205 -6.427 1.00 0.00 C ATOM 964 NE ARG A 78 12.897 -9.215 -7.887 1.00 0.00 N ATOM 965 CZ ARG A 78 13.942 -8.847 -8.626 1.00 0.00 C ATOM 966 NH1 ARG A 78 15.064 -8.441 -8.044 1.00 0.00 N ATOM 967 NH2 ARG A 78 13.864 -8.885 -9.949 1.00 0.00 N ATOM 0 H ARG A 78 13.341 -5.442 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 78 10.831 -6.710 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.663 -7.635 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.348 -8.788 -4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.951 -7.277 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.697 -7.234 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.792 -9.690 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.042 -9.788 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 78 12.052 -9.522 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.128 -8.410 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.862 -8.160 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.004 -9.196 -10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.664 -8.603 -10.515 1.00 0.00 H new ATOM 981 N THR A 79 9.954 -7.320 -2.240 1.00 0.00 N ATOM 982 CA THR A 79 9.398 -7.688 -0.942 1.00 0.00 C ATOM 983 C THR A 79 8.207 -8.628 -1.107 1.00 0.00 C ATOM 984 O THR A 79 7.239 -8.559 -0.351 1.00 0.00 O ATOM 985 CB THR A 79 8.972 -6.439 -0.169 1.00 0.00 C ATOM 986 OG1 THR A 79 7.836 -5.842 -0.769 1.00 0.00 O ATOM 987 CG2 THR A 79 10.056 -5.386 -0.090 1.00 0.00 C ATOM 0 H THR A 79 9.264 -7.230 -2.986 1.00 0.00 H new ATOM 0 HA THR A 79 10.174 -8.206 -0.379 1.00 0.00 H new ATOM 0 HB THR A 79 8.750 -6.785 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.725 -6.190 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.688 -4.527 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.930 -5.801 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.331 -5.071 -1.097 1.00 0.00 H new ATOM 995 N ARG A 80 8.287 -9.507 -2.102 1.00 0.00 N ATOM 996 CA ARG A 80 7.216 -10.461 -2.365 1.00 0.00 C ATOM 997 C ARG A 80 7.237 -11.595 -1.344 1.00 0.00 C ATOM 998 O ARG A 80 6.207 -11.937 -0.761 1.00 0.00 O ATOM 999 CB ARG A 80 7.346 -11.026 -3.781 1.00 0.00 C ATOM 1000 CG ARG A 80 6.114 -10.801 -4.641 1.00 0.00 C ATOM 1001 CD ARG A 80 5.977 -11.871 -5.712 1.00 0.00 C ATOM 1002 NE ARG A 80 5.376 -13.095 -5.186 1.00 0.00 N ATOM 1003 CZ ARG A 80 5.378 -14.259 -5.834 1.00 0.00 C ATOM 1004 NH1 ARG A 80 5.947 -14.361 -7.028 1.00 0.00 N ATOM 1005 NH2 ARG A 80 4.808 -15.323 -5.285 1.00 0.00 N ATOM 0 H ARG A 80 9.081 -9.578 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 80 6.264 -9.938 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.207 -10.569 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.545 -12.096 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.225 -10.800 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.172 -9.820 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.366 -11.489 -6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.959 -12.098 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 80 4.929 -13.056 -4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.386 -13.545 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.945 -15.255 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.369 -15.250 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.809 -16.215 -5.780 1.00 0.00 H new ATOM 1019 N ASP A 81 8.414 -12.171 -1.132 1.00 0.00 N ATOM 1020 CA ASP A 81 8.571 -13.267 -0.180 1.00 0.00 C ATOM 1021 C ASP A 81 8.971 -12.744 1.198 1.00 0.00 C ATOM 1022 O ASP A 81 9.592 -13.459 1.985 1.00 0.00 O ATOM 1023 CB ASP A 81 9.618 -14.261 -0.685 1.00 0.00 C ATOM 1024 CG ASP A 81 9.007 -15.365 -1.526 1.00 0.00 C ATOM 1025 OD1 ASP A 81 7.968 -15.920 -1.113 1.00 0.00 O ATOM 1026 OD2 ASP A 81 9.569 -15.675 -2.597 1.00 0.00 O ATOM 0 H ASP A 81 9.275 -11.898 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 81 7.611 -13.774 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.365 -13.730 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.138 -14.701 0.166 1.00 0.00 H new ATOM 1031 N PHE A 82 8.615 -11.496 1.484 1.00 0.00 N ATOM 1032 CA PHE A 82 8.938 -10.880 2.764 1.00 0.00 C ATOM 1033 C PHE A 82 7.934 -11.292 3.833 1.00 0.00 C ATOM 1034 O PHE A 82 6.900 -11.889 3.534 1.00 0.00 O ATOM 1035 CB PHE A 82 8.947 -9.356 2.628 1.00 0.00 C ATOM 1036 CG PHE A 82 10.300 -8.780 2.318 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.189 -9.455 1.497 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.680 -7.559 2.850 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.430 -8.921 1.212 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.921 -7.021 2.569 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.798 -7.703 1.749 1.00 0.00 C ATOM 0 H PHE A 82 8.101 -10.891 0.844 1.00 0.00 H new ATOM 0 HA PHE A 82 9.928 -11.223 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.251 -9.067 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.580 -8.916 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.908 -10.409 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.998 -7.021 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.113 -9.456 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.205 -6.068 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.769 -7.285 1.528 1.00 0.00 H new ATOM 1051 N ASP A 83 8.242 -10.958 5.081 1.00 0.00 N ATOM 1052 CA ASP A 83 7.363 -11.279 6.196 1.00 0.00 C ATOM 1053 C ASP A 83 6.657 -10.023 6.690 1.00 0.00 C ATOM 1054 O ASP A 83 7.116 -8.908 6.446 1.00 0.00 O ATOM 1055 CB ASP A 83 8.160 -11.920 7.336 1.00 0.00 C ATOM 1056 CG ASP A 83 7.546 -13.223 7.810 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.302 -13.289 7.914 1.00 0.00 O ATOM 1058 OD2 ASP A 83 8.307 -14.176 8.079 1.00 0.00 O ATOM 0 H ASP A 83 9.095 -10.465 5.345 1.00 0.00 H new ATOM 0 HA ASP A 83 6.612 -11.991 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.182 -12.103 7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.217 -11.223 8.172 1.00 0.00 H new ATOM 1063 N CYS A 84 5.539 -10.205 7.385 1.00 0.00 N ATOM 1064 CA CYS A 84 4.776 -9.077 7.906 1.00 0.00 C ATOM 1065 C CYS A 84 5.679 -8.131 8.691 1.00 0.00 C ATOM 1066 O CYS A 84 5.568 -6.911 8.574 1.00 0.00 O ATOM 1067 CB CYS A 84 3.637 -9.572 8.802 1.00 0.00 C ATOM 1068 SG CYS A 84 4.148 -10.789 10.039 1.00 0.00 S ATOM 0 H CYS A 84 5.142 -11.120 7.600 1.00 0.00 H new ATOM 0 HA CYS A 84 4.353 -8.534 7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.191 -8.717 9.311 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.860 -10.010 8.176 1.00 0.00 H new ATOM 0 HG CYS A 84 3.119 -11.145 10.748 1.00 0.00 H new ATOM 1074 N CYS A 85 6.575 -8.703 9.486 1.00 0.00 N ATOM 1075 CA CYS A 85 7.498 -7.916 10.286 1.00 0.00 C ATOM 1076 C CYS A 85 8.433 -7.093 9.400 1.00 0.00 C ATOM 1077 O CYS A 85 8.956 -6.063 9.825 1.00 0.00 O ATOM 1078 CB CYS A 85 8.316 -8.827 11.204 1.00 0.00 C ATOM 1079 SG CYS A 85 7.686 -8.923 12.897 1.00 0.00 S ATOM 0 H CYS A 85 6.680 -9.712 9.592 1.00 0.00 H new ATOM 0 HA CYS A 85 6.911 -7.229 10.895 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.338 -9.830 10.778 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.345 -8.470 11.230 1.00 0.00 H new ATOM 0 HG CYS A 85 8.441 -9.717 13.596 1.00 0.00 H new ATOM 1085 N LEU A 86 8.637 -7.553 8.169 1.00 0.00 N ATOM 1086 CA LEU A 86 9.507 -6.858 7.225 1.00 0.00 C ATOM 1087 C LEU A 86 8.712 -5.860 6.387 1.00 0.00 C ATOM 1088 O LEU A 86 9.235 -4.824 5.966 1.00 0.00 O ATOM 1089 CB LEU A 86 10.209 -7.865 6.310 1.00 0.00 C ATOM 1090 CG LEU A 86 11.527 -8.422 6.851 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.284 -9.230 8.117 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.215 -9.274 5.796 1.00 0.00 C ATOM 0 H LEU A 86 8.212 -8.404 7.802 1.00 0.00 H new ATOM 0 HA LEU A 86 10.258 -6.311 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.530 -8.697 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.401 -7.387 5.349 1.00 0.00 H new ATOM 0 HG LEU A 86 12.181 -7.586 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.232 -9.619 8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.832 -8.591 8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.613 -10.060 7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.151 -9.663 6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.566 -10.105 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.422 -8.666 4.915 1.00 0.00 H new ATOM 1104 N VAL A 87 7.443 -6.175 6.154 1.00 0.00 N ATOM 1105 CA VAL A 87 6.576 -5.312 5.370 1.00 0.00 C ATOM 1106 C VAL A 87 6.064 -4.139 6.201 1.00 0.00 C ATOM 1107 O VAL A 87 5.910 -3.031 5.688 1.00 0.00 O ATOM 1108 CB VAL A 87 5.382 -6.096 4.791 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.478 -5.180 3.978 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.877 -7.256 3.939 1.00 0.00 C ATOM 0 H VAL A 87 6.994 -7.023 6.499 1.00 0.00 H new ATOM 0 HA VAL A 87 7.174 -4.923 4.545 1.00 0.00 H new ATOM 0 HB VAL A 87 4.798 -6.498 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.642 -5.755 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.098 -4.383 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.046 -4.746 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.024 -7.802 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.483 -6.872 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.480 -7.926 4.552 1.00 0.00 H new ATOM 1120 N VAL A 88 5.802 -4.378 7.484 1.00 0.00 N ATOM 1121 CA VAL A 88 5.310 -3.319 8.358 1.00 0.00 C ATOM 1122 C VAL A 88 6.257 -2.118 8.338 1.00 0.00 C ATOM 1123 O VAL A 88 5.827 -0.986 8.107 1.00 0.00 O ATOM 1124 CB VAL A 88 5.112 -3.804 9.811 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.610 -2.670 10.695 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.148 -4.982 9.853 1.00 0.00 C ATOM 0 H VAL A 88 5.921 -5.285 7.936 1.00 0.00 H new ATOM 0 HA VAL A 88 4.336 -3.019 7.972 1.00 0.00 H new ATOM 0 HB VAL A 88 6.077 -4.134 10.196 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.478 -3.034 11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.336 -1.857 10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.656 -2.306 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.020 -5.311 10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.183 -4.677 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.550 -5.802 9.258 1.00 0.00 H new ATOM 1136 N PRO A 89 7.566 -2.346 8.559 1.00 0.00 N ATOM 1137 CA PRO A 89 8.562 -1.275 8.540 1.00 0.00 C ATOM 1138 C PRO A 89 8.746 -0.716 7.136 1.00 0.00 C ATOM 1139 O PRO A 89 8.756 0.500 6.941 1.00 0.00 O ATOM 1140 CB PRO A 89 9.855 -1.955 9.023 1.00 0.00 C ATOM 1141 CG PRO A 89 9.429 -3.275 9.571 1.00 0.00 C ATOM 1142 CD PRO A 89 8.185 -3.649 8.822 1.00 0.00 C ATOM 0 HA PRO A 89 8.269 -0.430 9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.563 -2.080 8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.353 -1.356 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.208 -4.025 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.235 -3.209 10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.412 -4.183 7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.535 -4.295 9.412 1.00 0.00 H new ATOM 1150 N LEU A 90 8.880 -1.608 6.153 1.00 0.00 N ATOM 1151 CA LEU A 90 9.047 -1.189 4.769 1.00 0.00 C ATOM 1152 C LEU A 90 7.912 -0.259 4.354 1.00 0.00 C ATOM 1153 O LEU A 90 8.087 0.616 3.506 1.00 0.00 O ATOM 1154 CB LEU A 90 9.090 -2.407 3.844 1.00 0.00 C ATOM 1155 CG LEU A 90 10.432 -3.140 3.803 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.238 -4.584 3.364 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.400 -2.423 2.874 1.00 0.00 C ATOM 0 H LEU A 90 8.876 -2.618 6.293 1.00 0.00 H new ATOM 0 HA LEU A 90 9.991 -0.650 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.318 -3.110 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.837 -2.086 2.833 1.00 0.00 H new ATOM 0 HG LEU A 90 10.856 -3.142 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.203 -5.090 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.579 -5.093 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.793 -4.605 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.350 -2.957 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.982 -2.391 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.562 -1.406 3.232 1.00 0.00 H new ATOM 1169 N ILE A 91 6.749 -0.452 4.971 1.00 0.00 N ATOM 1170 CA ILE A 91 5.578 0.368 4.687 1.00 0.00 C ATOM 1171 C ILE A 91 5.742 1.755 5.307 1.00 0.00 C ATOM 1172 O ILE A 91 5.578 2.771 4.632 1.00 0.00 O ATOM 1173 CB ILE A 91 4.290 -0.317 5.220 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.890 -1.466 4.293 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.132 0.669 5.363 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.822 -2.367 4.872 1.00 0.00 C ATOM 0 H ILE A 91 6.594 -1.174 5.675 1.00 0.00 H new ATOM 0 HA ILE A 91 5.485 0.478 3.607 1.00 0.00 H new ATOM 0 HB ILE A 91 4.511 -0.706 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.533 -1.053 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.773 -2.063 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.253 0.146 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.410 1.458 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.906 1.108 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.589 -3.159 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.183 -2.809 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.924 -1.784 5.073 1.00 0.00 H new ATOM 1188 N ALA A 92 6.065 1.785 6.593 1.00 0.00 N ATOM 1189 CA ALA A 92 6.252 3.036 7.308 1.00 0.00 C ATOM 1190 C ALA A 92 7.606 3.677 6.992 1.00 0.00 C ATOM 1191 O ALA A 92 7.914 4.763 7.483 1.00 0.00 O ATOM 1192 CB ALA A 92 6.115 2.809 8.806 1.00 0.00 C ATOM 0 H ALA A 92 6.203 0.951 7.163 1.00 0.00 H new ATOM 0 HA ALA A 92 5.476 3.725 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.257 3.753 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.122 2.417 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.868 2.093 9.136 1.00 0.00 H new ATOM 1198 N GLU A 93 8.417 2.997 6.183 1.00 0.00 N ATOM 1199 CA GLU A 93 9.739 3.506 5.825 1.00 0.00 C ATOM 1200 C GLU A 93 9.706 4.326 4.537 1.00 0.00 C ATOM 1201 O GLU A 93 10.704 4.939 4.161 1.00 0.00 O ATOM 1202 CB GLU A 93 10.727 2.346 5.678 1.00 0.00 C ATOM 1203 CG GLU A 93 11.566 2.099 6.921 1.00 0.00 C ATOM 1204 CD GLU A 93 12.982 1.670 6.590 1.00 0.00 C ATOM 1205 OE1 GLU A 93 13.566 2.230 5.637 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.509 0.776 7.285 1.00 0.00 O ATOM 0 H GLU A 93 8.183 2.096 5.765 1.00 0.00 H new ATOM 0 HA GLU A 93 10.065 4.165 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.175 1.438 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.390 2.549 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.596 3.008 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.090 1.330 7.530 1.00 0.00 H new ATOM 1213 N SER A 94 8.564 4.333 3.861 1.00 0.00 N ATOM 1214 CA SER A 94 8.423 5.081 2.617 1.00 0.00 C ATOM 1215 C SER A 94 8.561 6.584 2.846 1.00 0.00 C ATOM 1216 O SER A 94 8.774 7.349 1.906 1.00 0.00 O ATOM 1217 CB SER A 94 7.080 4.774 1.958 1.00 0.00 C ATOM 1218 OG SER A 94 7.151 4.941 0.553 1.00 0.00 O ATOM 0 H SER A 94 7.725 3.831 4.151 1.00 0.00 H new ATOM 0 HA SER A 94 9.228 4.766 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.782 3.752 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.312 5.431 2.367 1.00 0.00 H new ATOM 0 HG SER A 94 6.939 5.870 0.323 1.00 0.00 H new ATOM 1224 N GLY A 95 8.440 6.999 4.100 1.00 0.00 N ATOM 1225 CA GLY A 95 8.556 8.407 4.430 1.00 0.00 C ATOM 1226 C GLY A 95 7.220 9.123 4.415 1.00 0.00 C ATOM 1227 O GLY A 95 6.854 9.787 5.385 1.00 0.00 O ATOM 0 H GLY A 95 8.263 6.386 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.007 8.509 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.229 8.888 3.721 1.00 0.00 H new ATOM 1231 N ASN A 96 6.489 8.991 3.311 1.00 0.00 N ATOM 1232 CA ASN A 96 5.187 9.635 3.178 1.00 0.00 C ATOM 1233 C ASN A 96 4.412 9.062 1.994 1.00 0.00 C ATOM 1234 O ASN A 96 3.228 8.754 2.108 1.00 0.00 O ATOM 1235 CB ASN A 96 5.359 11.146 3.009 1.00 0.00 C ATOM 1236 CG ASN A 96 4.969 11.916 4.257 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.947 11.632 4.881 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.786 12.897 4.627 1.00 0.00 N ATOM 0 H ASN A 96 6.776 8.445 2.498 1.00 0.00 H new ATOM 0 HA ASN A 96 4.618 9.440 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.397 11.365 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.751 11.487 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.576 13.449 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.623 13.098 4.079 1.00 0.00 H new ATOM 1245 N LYS A 97 5.091 8.919 0.861 1.00 0.00 N ATOM 1246 CA LYS A 97 4.464 8.380 -0.340 1.00 0.00 C ATOM 1247 C LYS A 97 4.843 6.916 -0.528 1.00 0.00 C ATOM 1248 O LYS A 97 5.979 6.599 -0.878 1.00 0.00 O ATOM 1249 CB LYS A 97 4.881 9.194 -1.568 1.00 0.00 C ATOM 1250 CG LYS A 97 3.786 10.111 -2.090 1.00 0.00 C ATOM 1251 CD LYS A 97 4.126 10.656 -3.466 1.00 0.00 C ATOM 1252 CE LYS A 97 4.205 9.546 -4.502 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.145 10.077 -5.892 1.00 0.00 N ATOM 0 H LYS A 97 6.074 9.168 0.749 1.00 0.00 H new ATOM 0 HA LYS A 97 3.382 8.448 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.756 9.793 -1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.180 8.510 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.844 9.565 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.641 10.938 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.372 11.383 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.079 11.184 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.132 8.988 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.385 8.845 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.202 9.288 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.250 10.588 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.942 10.726 -6.050 1.00 0.00 H new ATOM 1267 N LEU A 98 3.889 6.025 -0.281 1.00 0.00 N ATOM 1268 CA LEU A 98 4.136 4.596 -0.414 1.00 0.00 C ATOM 1269 C LEU A 98 3.690 4.074 -1.776 1.00 0.00 C ATOM 1270 O LEU A 98 2.516 3.766 -1.980 1.00 0.00 O ATOM 1271 CB LEU A 98 3.421 3.824 0.699 1.00 0.00 C ATOM 1272 CG LEU A 98 4.334 3.015 1.625 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.508 2.069 2.476 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.369 2.241 0.820 1.00 0.00 C ATOM 0 H LEU A 98 2.942 6.267 0.011 1.00 0.00 H new ATOM 0 HA LEU A 98 5.211 4.440 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.854 4.532 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.700 3.145 0.243 1.00 0.00 H new ATOM 0 HG LEU A 98 4.862 3.707 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.167 1.499 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.805 2.643 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.958 1.385 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.007 1.673 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.863 1.556 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.979 2.938 0.246 1.00 0.00 H new ATOM 1286 N ASP A 99 4.641 3.951 -2.694 1.00 0.00 N ATOM 1287 CA ASP A 99 4.355 3.439 -4.025 1.00 0.00 C ATOM 1288 C ASP A 99 4.789 1.982 -4.113 1.00 0.00 C ATOM 1289 O ASP A 99 5.967 1.669 -3.939 1.00 0.00 O ATOM 1290 CB ASP A 99 5.077 4.270 -5.089 1.00 0.00 C ATOM 1291 CG ASP A 99 4.778 3.794 -6.496 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.594 3.820 -6.894 1.00 0.00 O ATOM 1293 OD2 ASP A 99 5.729 3.396 -7.203 1.00 0.00 O ATOM 0 H ASP A 99 5.618 4.200 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 99 3.283 3.509 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.782 5.315 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.152 4.224 -4.914 1.00 0.00 H new ATOM 1298 N LEU A 100 3.838 1.091 -4.360 1.00 0.00 N ATOM 1299 CA LEU A 100 4.147 -0.332 -4.438 1.00 0.00 C ATOM 1300 C LEU A 100 3.245 -1.061 -5.427 1.00 0.00 C ATOM 1301 O LEU A 100 2.192 -0.558 -5.817 1.00 0.00 O ATOM 1302 CB LEU A 100 4.008 -0.971 -3.055 1.00 0.00 C ATOM 1303 CG LEU A 100 2.800 -0.500 -2.241 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.569 -1.325 -2.588 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.097 -0.584 -0.752 1.00 0.00 C ATOM 0 H LEU A 100 2.856 1.324 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 100 5.174 -0.424 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.946 -2.052 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.914 -0.766 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 100 2.598 0.541 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.720 -0.977 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.345 -1.216 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.759 -2.375 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.228 -0.246 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.324 -1.616 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.952 0.049 -0.515 1.00 0.00 H new ATOM 1317 N VAL A 101 3.667 -2.262 -5.812 1.00 0.00 N ATOM 1318 CA VAL A 101 2.905 -3.087 -6.738 1.00 0.00 C ATOM 1319 C VAL A 101 2.423 -4.353 -6.041 1.00 0.00 C ATOM 1320 O VAL A 101 3.216 -5.237 -5.717 1.00 0.00 O ATOM 1321 CB VAL A 101 3.743 -3.477 -7.970 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.876 -4.170 -9.010 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.423 -2.251 -8.562 1.00 0.00 C ATOM 0 H VAL A 101 4.538 -2.686 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 101 2.051 -2.498 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 101 4.517 -4.176 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.486 -4.438 -9.873 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.442 -5.072 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.078 -3.498 -9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.011 -2.545 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.667 -1.526 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.079 -1.803 -7.816 1.00 0.00 H new ATOM 1333 N ILE A 102 1.121 -4.430 -5.802 1.00 0.00 N ATOM 1334 CA ILE A 102 0.531 -5.580 -5.129 1.00 0.00 C ATOM 1335 C ILE A 102 -0.189 -6.488 -6.118 1.00 0.00 C ATOM 1336 O ILE A 102 -0.399 -6.120 -7.273 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.469 -5.133 -4.045 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.666 -4.434 -4.693 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.208 -4.217 -3.033 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.780 -5.382 -5.075 1.00 0.00 C ATOM 0 H ILE A 102 0.451 -3.707 -6.065 1.00 0.00 H new ATOM 0 HA ILE A 102 1.348 -6.131 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.826 -6.015 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.057 -3.685 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.329 -3.903 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.515 -3.913 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.031 -4.748 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.593 -3.334 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.596 -4.820 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.405 -6.116 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.143 -5.894 -4.184 1.00 0.00 H new ATOM 1352 N SER A 103 -0.574 -7.671 -5.654 1.00 0.00 N ATOM 1353 CA SER A 103 -1.282 -8.626 -6.495 1.00 0.00 C ATOM 1354 C SER A 103 -2.583 -9.065 -5.829 1.00 0.00 C ATOM 1355 O SER A 103 -2.572 -9.809 -4.849 1.00 0.00 O ATOM 1356 CB SER A 103 -0.399 -9.843 -6.778 1.00 0.00 C ATOM 1357 OG SER A 103 -0.235 -10.637 -5.618 1.00 0.00 O ATOM 0 H SER A 103 -0.407 -7.991 -4.700 1.00 0.00 H new ATOM 0 HA SER A 103 -1.522 -8.139 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.845 -10.442 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.576 -9.513 -7.137 1.00 0.00 H new ATOM 0 HG SER A 103 -1.107 -10.779 -5.193 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.704 -8.590 -6.367 1.00 0.00 N ATOM 1364 CA ARG A 104 -5.015 -8.928 -5.823 1.00 0.00 C ATOM 1365 C ARG A 104 -5.802 -9.817 -6.782 1.00 0.00 C ATOM 1366 O ARG A 104 -6.187 -9.388 -7.869 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.810 -7.654 -5.529 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.898 -6.701 -6.712 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.331 -6.533 -7.193 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.393 -5.925 -8.520 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.479 -5.343 -9.020 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.599 -5.287 -8.308 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -8.449 -4.813 -10.236 1.00 0.00 N ATOM 0 H ARG A 104 -3.730 -7.971 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.858 -9.480 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.818 -7.929 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.349 -7.135 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.493 -5.730 -6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.282 -7.077 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.822 -7.506 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.882 -5.914 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.553 -5.948 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.629 -5.692 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.429 -4.839 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.592 -4.852 -10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.283 -4.367 -10.619 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.039 -11.058 -6.366 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.783 -12.011 -7.182 1.00 0.00 C ATOM 1389 C ASN A 105 -8.213 -11.528 -7.418 1.00 0.00 C ATOM 1390 O ASN A 105 -8.731 -10.703 -6.665 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.800 -13.382 -6.506 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.169 -13.298 -5.038 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -6.324 -13.490 -4.163 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -8.435 -13.013 -4.761 1.00 0.00 N ATOM 0 H ASN A 105 -5.726 -11.427 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.285 -12.094 -8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.511 -14.029 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.818 -13.845 -6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.742 -12.945 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.101 -12.862 -5.518 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.871 -12.040 -8.472 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.244 -11.657 -8.806 1.00 0.00 C ATOM 1403 C PRO A 106 -11.271 -12.332 -7.904 1.00 0.00 C ATOM 1404 O PRO A 106 -12.475 -12.283 -8.237 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.396 -12.141 -10.247 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.483 -13.314 -10.347 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.327 -13.031 -9.423 1.00 0.00 C ATOM 1408 OXT PRO A 106 -10.864 -12.906 -6.871 1.00 0.00 O ATOM 0 HA PRO A 106 -10.416 -10.588 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.427 -12.421 -10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.120 -11.362 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.996 -14.231 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.137 -13.451 -11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.993 -13.934 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.469 -12.635 -9.966 1.00 0.00 H new TER 1416 PRO A 106