USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= -0.759 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.963 K(o=-1.7,f=1.2) USER MOD Set 2.1: A 50 GLN : amide:sc= -3.52! K(o=-4.2!,f=-0.3) USER MOD Set 2.2: A 51 GLN : amide:sc= -0.708 K(o=-4.2,f=-1.7) USER MOD Set 3.1: A 29 MET CE :methyl 167:sc= -0.0523 (180deg=-0.19) USER MOD Set 3.2: A 70 SER OG : rot 114:sc= 1.24 USER MOD Single : A 1 MET CE :methyl -165:sc= -5.68! (180deg=-6.55!) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0432) USER MOD Single : A 7 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.1) USER MOD Single : A 8 CYS SG : rot 89:sc= 0.11 USER MOD Single : A -1 SER OG : rot -130:sc= 1 USER MOD Single : A -5 GLY N :NH3+ 137:sc= 0.0223 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.14) USER MOD Single : A 12 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.106 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 173:sc= -8.38! (180deg=-8.94!) USER MOD Single : A 28 HIS : no HD1:sc= -0.287 X(o=-0.29,f=0.056) USER MOD Single : A 31 SER OG : rot 85:sc= 0.69 USER MOD Single : A 36 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.45) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00624 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl -160:sc= -0.139 (180deg=-1.04) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -157:sc= -4.17! (180deg=-6.14!) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0208) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0.18 (180deg=0.0338) USER MOD Single : A 65 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1.3) USER MOD Single : A 67 SER OG : rot -139:sc= -0.0815 USER MOD Single : A 68 TYR OH : rot 55:sc= -2.61! USER MOD Single : A 73 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.5!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.31) USER MOD Single : A 80 TYR OH : rot 120:sc= -0.924 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 10.448 -19.844 -9.882 1.00 0.00 N ATOM 2 CA GLY A -5 9.417 -19.001 -10.536 1.00 0.00 C ATOM 3 C GLY A -5 10.000 -17.725 -11.110 1.00 0.00 C ATOM 4 O GLY A -5 10.940 -17.165 -10.546 1.00 0.00 O ATOM 0 H1 GLY A -5 10.075 -20.214 -8.984 1.00 0.00 H new ATOM 0 H2 GLY A -5 10.696 -20.637 -10.508 1.00 0.00 H new ATOM 0 H3 GLY A -5 11.296 -19.272 -9.695 1.00 0.00 H new ATOM 0 HA2 GLY A -5 8.937 -19.570 -11.333 1.00 0.00 H new ATOM 0 HA3 GLY A -5 8.642 -18.751 -9.812 1.00 0.00 H new ATOM 10 N PRO A -4 9.486 -17.254 -12.256 1.00 0.00 N ATOM 11 CA PRO A -4 9.982 -16.044 -12.911 1.00 0.00 C ATOM 12 C PRO A -4 9.328 -14.761 -12.388 1.00 0.00 C ATOM 13 O PRO A -4 9.644 -13.662 -12.844 1.00 0.00 O ATOM 14 CB PRO A -4 9.596 -16.282 -14.367 1.00 0.00 C ATOM 15 CG PRO A -4 8.328 -17.066 -14.293 1.00 0.00 C ATOM 16 CD PRO A -4 8.401 -17.888 -13.029 1.00 0.00 C ATOM 0 HA PRO A -4 11.047 -15.891 -12.738 1.00 0.00 H new ATOM 0 HB2 PRO A -4 9.451 -15.341 -14.898 1.00 0.00 H new ATOM 0 HB3 PRO A -4 10.372 -16.832 -14.899 1.00 0.00 H new ATOM 0 HG2 PRO A -4 7.463 -16.403 -14.274 1.00 0.00 H new ATOM 0 HG3 PRO A -4 8.218 -17.708 -15.167 1.00 0.00 H new ATOM 0 HD2 PRO A -4 7.457 -17.867 -12.484 1.00 0.00 H new ATOM 0 HD3 PRO A -4 8.622 -18.933 -13.244 1.00 0.00 H new ATOM 24 N LEU A -3 8.412 -14.894 -11.442 1.00 0.00 N ATOM 25 CA LEU A -3 7.729 -13.738 -10.886 1.00 0.00 C ATOM 26 C LEU A -3 8.184 -13.468 -9.455 1.00 0.00 C ATOM 27 O LEU A -3 8.459 -14.398 -8.696 1.00 0.00 O ATOM 28 CB LEU A -3 6.214 -13.961 -10.920 1.00 0.00 C ATOM 29 CG LEU A -3 5.370 -12.754 -10.508 1.00 0.00 C ATOM 30 CD1 LEU A -3 5.593 -11.595 -11.467 1.00 0.00 C ATOM 31 CD2 LEU A -3 3.897 -13.129 -10.456 1.00 0.00 C ATOM 0 H LEU A -3 8.125 -15.788 -11.044 1.00 0.00 H new ATOM 0 HA LEU A -3 7.980 -12.868 -11.493 1.00 0.00 H new ATOM 0 HB2 LEU A -3 5.929 -14.256 -11.930 1.00 0.00 H new ATOM 0 HB3 LEU A -3 5.971 -14.796 -10.263 1.00 0.00 H new ATOM 0 HG LEU A -3 5.681 -12.439 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A -3 4.984 -10.745 -11.158 1.00 0.00 H new ATOM 0 HD12 LEU A -3 6.645 -11.311 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.309 -11.897 -12.475 1.00 0.00 H new ATOM 0 HD21 LEU A -3 3.310 -12.259 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A -3 3.573 -13.469 -11.440 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.750 -13.928 -9.730 1.00 0.00 H new ATOM 43 N GLY A -2 8.253 -12.191 -9.097 1.00 0.00 N ATOM 44 CA GLY A -2 8.656 -11.807 -7.759 1.00 0.00 C ATOM 45 C GLY A -2 7.671 -10.838 -7.138 1.00 0.00 C ATOM 46 O GLY A -2 7.257 -11.002 -5.991 1.00 0.00 O ATOM 0 H GLY A -2 8.035 -11.410 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A -2 8.737 -12.696 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A -2 9.645 -11.350 -7.793 1.00 0.00 H new ATOM 50 N SER A -1 7.281 -9.842 -7.913 1.00 0.00 N ATOM 51 CA SER A -1 6.328 -8.836 -7.478 1.00 0.00 C ATOM 52 C SER A -1 5.693 -8.203 -8.713 1.00 0.00 C ATOM 53 O SER A -1 5.463 -8.896 -9.704 1.00 0.00 O ATOM 54 CB SER A -1 7.033 -7.791 -6.611 1.00 0.00 C ATOM 55 OG SER A -1 8.296 -7.447 -7.158 1.00 0.00 O ATOM 0 H SER A -1 7.618 -9.707 -8.866 1.00 0.00 H new ATOM 0 HA SER A -1 5.544 -9.289 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A -1 6.411 -6.899 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A -1 7.163 -8.179 -5.601 1.00 0.00 H new ATOM 0 HG SER A -1 8.981 -7.504 -6.460 1.00 0.00 H new ATOM 61 N MET A 1 5.461 -6.892 -8.707 1.00 0.00 N ATOM 62 CA MET A 1 4.912 -6.253 -9.883 1.00 0.00 C ATOM 63 C MET A 1 5.995 -6.146 -10.936 1.00 0.00 C ATOM 64 O MET A 1 7.136 -6.572 -10.730 1.00 0.00 O ATOM 65 CB MET A 1 4.311 -4.869 -9.589 1.00 0.00 C ATOM 66 CG MET A 1 5.270 -3.872 -8.970 1.00 0.00 C ATOM 67 SD MET A 1 5.527 -4.184 -7.223 1.00 0.00 S ATOM 68 CE MET A 1 3.925 -3.695 -6.579 1.00 0.00 C ATOM 0 H MET A 1 5.642 -6.271 -7.918 1.00 0.00 H new ATOM 0 HA MET A 1 4.090 -6.871 -10.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.927 -4.451 -10.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.459 -4.994 -8.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.226 -3.917 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.881 -2.863 -9.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.990 -3.570 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.622 -2.753 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.189 -4.465 -6.812 1.00 0.00 H new ATOM 78 N ASP A 2 5.628 -5.592 -12.056 1.00 0.00 N ATOM 79 CA ASP A 2 6.554 -5.442 -13.163 1.00 0.00 C ATOM 80 C ASP A 2 7.531 -4.310 -12.907 1.00 0.00 C ATOM 81 O ASP A 2 7.131 -3.219 -12.516 1.00 0.00 O ATOM 82 CB ASP A 2 5.808 -5.212 -14.475 1.00 0.00 C ATOM 83 CG ASP A 2 6.750 -5.219 -15.652 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.384 -6.265 -15.898 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.883 -4.177 -16.317 1.00 0.00 O ATOM 0 H ASP A 2 4.691 -5.232 -12.236 1.00 0.00 H new ATOM 0 HA ASP A 2 7.119 -6.370 -13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.053 -5.987 -14.607 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.282 -4.258 -14.434 1.00 0.00 H new ATOM 90 N ALA A 3 8.808 -4.581 -13.119 1.00 0.00 N ATOM 91 CA ALA A 3 9.844 -3.596 -12.914 1.00 0.00 C ATOM 92 C ALA A 3 9.661 -2.415 -13.853 1.00 0.00 C ATOM 93 O ALA A 3 9.748 -1.282 -13.433 1.00 0.00 O ATOM 94 CB ALA A 3 11.213 -4.224 -13.108 1.00 0.00 C ATOM 0 H ALA A 3 9.150 -5.488 -13.437 1.00 0.00 H new ATOM 0 HA ALA A 3 9.771 -3.229 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.985 -3.470 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.346 -5.035 -12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.292 -4.618 -14.121 1.00 0.00 H new ATOM 100 N LYS A 4 9.380 -2.681 -15.123 1.00 0.00 N ATOM 101 CA LYS A 4 9.176 -1.605 -16.094 1.00 0.00 C ATOM 102 C LYS A 4 8.023 -0.698 -15.642 1.00 0.00 C ATOM 103 O LYS A 4 8.025 0.508 -15.895 1.00 0.00 O ATOM 104 CB LYS A 4 8.889 -2.191 -17.483 1.00 0.00 C ATOM 105 CG LYS A 4 9.027 -1.202 -18.635 1.00 0.00 C ATOM 106 CD LYS A 4 10.472 -0.775 -18.846 1.00 0.00 C ATOM 107 CE LYS A 4 10.664 -0.118 -20.206 1.00 0.00 C ATOM 108 NZ LYS A 4 9.813 1.092 -20.371 1.00 0.00 N ATOM 0 H LYS A 4 9.288 -3.622 -15.505 1.00 0.00 H new ATOM 0 HA LYS A 4 10.085 -1.006 -16.154 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.567 -3.026 -17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.877 -2.596 -17.489 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.645 -1.655 -19.550 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.414 -0.323 -18.434 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.766 -0.080 -18.060 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.125 -1.644 -18.764 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.711 0.157 -20.330 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.428 -0.836 -20.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.038 1.554 -21.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.811 0.815 -20.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.995 1.754 -19.590 1.00 0.00 H new ATOM 122 N ALA A 5 7.061 -1.288 -14.941 1.00 0.00 N ATOM 123 CA ALA A 5 5.919 -0.560 -14.408 1.00 0.00 C ATOM 124 C ALA A 5 6.321 0.173 -13.135 1.00 0.00 C ATOM 125 O ALA A 5 6.191 1.396 -13.026 1.00 0.00 O ATOM 126 CB ALA A 5 4.813 -1.563 -14.113 1.00 0.00 C ATOM 0 H ALA A 5 7.052 -2.285 -14.727 1.00 0.00 H new ATOM 0 HA ALA A 5 5.569 0.178 -15.130 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.945 -1.040 -13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.534 -2.077 -15.032 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.167 -2.291 -13.383 1.00 0.00 H new ATOM 132 N ARG A 6 6.816 -0.598 -12.173 1.00 0.00 N ATOM 133 CA ARG A 6 7.240 -0.067 -10.884 1.00 0.00 C ATOM 134 C ARG A 6 8.342 0.985 -11.037 1.00 0.00 C ATOM 135 O ARG A 6 8.443 1.919 -10.242 1.00 0.00 O ATOM 136 CB ARG A 6 7.711 -1.222 -10.005 1.00 0.00 C ATOM 137 CG ARG A 6 7.835 -0.864 -8.537 1.00 0.00 C ATOM 138 CD ARG A 6 8.103 -2.102 -7.698 1.00 0.00 C ATOM 139 NE ARG A 6 9.328 -2.798 -8.105 1.00 0.00 N ATOM 140 CZ ARG A 6 9.553 -4.087 -7.875 1.00 0.00 C ATOM 141 NH1 ARG A 6 8.620 -4.811 -7.287 1.00 0.00 N ATOM 142 NH2 ARG A 6 10.702 -4.649 -8.237 1.00 0.00 N ATOM 0 H ARG A 6 6.934 -1.607 -12.265 1.00 0.00 H new ATOM 0 HA ARG A 6 6.392 0.432 -10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.013 -2.053 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.678 -1.571 -10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.643 -0.145 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.919 -0.381 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.182 -1.817 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.256 -2.784 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 6 10.047 -2.263 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.737 -4.380 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.782 -5.802 -7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.421 -4.090 -8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.865 -5.639 -8.056 1.00 0.00 H new ATOM 156 N ASN A 7 9.159 0.838 -12.064 1.00 0.00 N ATOM 157 CA ASN A 7 10.238 1.774 -12.330 1.00 0.00 C ATOM 158 C ASN A 7 9.667 3.066 -12.870 1.00 0.00 C ATOM 159 O ASN A 7 9.987 4.115 -12.375 1.00 0.00 O ATOM 160 CB ASN A 7 11.242 1.191 -13.331 1.00 0.00 C ATOM 161 CG ASN A 7 12.208 0.191 -12.715 1.00 0.00 C ATOM 162 OD1 ASN A 7 11.876 -0.515 -11.767 1.00 0.00 O ATOM 163 ND2 ASN A 7 13.404 0.096 -13.277 1.00 0.00 N ATOM 0 H ASN A 7 9.095 0.072 -12.734 1.00 0.00 H new ATOM 0 HA ASN A 7 10.764 1.966 -11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.695 0.705 -14.139 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.812 2.006 -13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.082 -0.579 -12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.647 0.698 -14.063 1.00 0.00 H new ATOM 170 N CYS A 8 8.788 2.995 -13.859 1.00 0.00 N ATOM 171 CA CYS A 8 8.167 4.210 -14.397 1.00 0.00 C ATOM 172 C CYS A 8 7.505 4.996 -13.281 1.00 0.00 C ATOM 173 O CYS A 8 7.330 6.212 -13.372 1.00 0.00 O ATOM 174 CB CYS A 8 7.151 3.862 -15.476 1.00 0.00 C ATOM 175 SG CYS A 8 7.898 3.554 -17.093 1.00 0.00 S ATOM 0 H CYS A 8 8.488 2.127 -14.303 1.00 0.00 H new ATOM 0 HA CYS A 8 8.945 4.826 -14.847 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.593 2.978 -15.168 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.433 4.677 -15.565 1.00 0.00 H new ATOM 0 HG CYS A 8 8.205 2.295 -17.196 1.00 0.00 H new ATOM 181 N LEU A 9 7.184 4.276 -12.217 1.00 0.00 N ATOM 182 CA LEU A 9 6.580 4.836 -11.037 1.00 0.00 C ATOM 183 C LEU A 9 7.613 5.578 -10.181 1.00 0.00 C ATOM 184 O LEU A 9 7.473 6.769 -9.920 1.00 0.00 O ATOM 185 CB LEU A 9 5.943 3.686 -10.240 1.00 0.00 C ATOM 186 CG LEU A 9 5.719 3.932 -8.755 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.652 4.992 -8.541 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.330 2.634 -8.061 1.00 0.00 C ATOM 0 H LEU A 9 7.342 3.270 -12.157 1.00 0.00 H new ATOM 0 HA LEU A 9 5.822 5.565 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.982 3.447 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.575 2.805 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 9 6.650 4.295 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.508 5.152 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.967 5.925 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.715 4.660 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.172 2.822 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.411 2.247 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.128 1.902 -8.185 1.00 0.00 H new ATOM 200 N LEU A 10 8.627 4.850 -9.720 1.00 0.00 N ATOM 201 CA LEU A 10 9.654 5.416 -8.837 1.00 0.00 C ATOM 202 C LEU A 10 10.807 6.117 -9.575 1.00 0.00 C ATOM 203 O LEU A 10 11.458 6.996 -9.018 1.00 0.00 O ATOM 204 CB LEU A 10 10.184 4.306 -7.939 1.00 0.00 C ATOM 205 CG LEU A 10 9.226 3.852 -6.843 1.00 0.00 C ATOM 206 CD1 LEU A 10 8.829 2.400 -7.046 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.855 4.044 -5.479 1.00 0.00 C ATOM 0 H LEU A 10 8.763 3.864 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 10 9.179 6.202 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.436 3.446 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.109 4.646 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 10 8.326 4.464 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.145 2.096 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.337 2.289 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.719 1.772 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.159 3.715 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.771 3.457 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.089 5.098 -5.331 1.00 0.00 H new ATOM 219 N GLN A 11 11.050 5.736 -10.819 1.00 0.00 N ATOM 220 CA GLN A 11 12.111 6.338 -11.631 1.00 0.00 C ATOM 221 C GLN A 11 11.801 7.803 -11.885 1.00 0.00 C ATOM 222 O GLN A 11 12.693 8.643 -11.888 1.00 0.00 O ATOM 223 CB GLN A 11 12.254 5.605 -12.969 1.00 0.00 C ATOM 224 CG GLN A 11 13.255 6.220 -13.929 1.00 0.00 C ATOM 225 CD GLN A 11 13.016 5.795 -15.366 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.773 6.153 -16.264 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.942 5.051 -15.594 1.00 0.00 N ATOM 0 H GLN A 11 10.524 5.005 -11.298 1.00 0.00 H new ATOM 0 HA GLN A 11 13.050 6.253 -11.084 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.547 4.574 -12.772 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.279 5.572 -13.455 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.200 7.306 -13.860 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.263 5.933 -13.631 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.339 4.775 -14.819 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.719 4.755 -16.544 1.00 0.00 H new ATOM 236 N HIS A 12 10.520 8.106 -12.053 1.00 0.00 N ATOM 237 CA HIS A 12 10.085 9.468 -12.265 1.00 0.00 C ATOM 238 C HIS A 12 9.874 10.133 -10.917 1.00 0.00 C ATOM 239 O HIS A 12 8.905 10.849 -10.704 1.00 0.00 O ATOM 240 CB HIS A 12 8.820 9.507 -13.127 1.00 0.00 C ATOM 241 CG HIS A 12 9.077 9.162 -14.565 1.00 0.00 C ATOM 242 ND1 HIS A 12 10.034 9.800 -15.323 1.00 0.00 N ATOM 243 CD2 HIS A 12 8.508 8.243 -15.385 1.00 0.00 C ATOM 244 CE1 HIS A 12 10.043 9.295 -16.539 1.00 0.00 C ATOM 245 NE2 HIS A 12 9.132 8.348 -16.603 1.00 0.00 N ATOM 0 H HIS A 12 9.766 7.419 -12.045 1.00 0.00 H new ATOM 0 HA HIS A 12 10.851 10.020 -12.809 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.087 8.811 -12.718 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.380 10.503 -13.071 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.714 7.558 -15.128 1.00 0.00 H new ATOM 0 HE1 HIS A 12 10.689 9.606 -17.347 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.923 7.783 -17.426 1.00 0.00 H new ATOM 254 N ARG A 13 10.821 9.853 -10.025 1.00 0.00 N ATOM 255 CA ARG A 13 10.848 10.367 -8.654 1.00 0.00 C ATOM 256 C ARG A 13 10.596 11.870 -8.627 1.00 0.00 C ATOM 257 O ARG A 13 9.950 12.378 -7.708 1.00 0.00 O ATOM 258 CB ARG A 13 12.205 10.038 -8.004 1.00 0.00 C ATOM 259 CG ARG A 13 12.209 10.066 -6.475 1.00 0.00 C ATOM 260 CD ARG A 13 12.158 11.487 -5.923 1.00 0.00 C ATOM 261 NE ARG A 13 13.379 12.238 -6.204 1.00 0.00 N ATOM 262 CZ ARG A 13 14.436 12.277 -5.401 1.00 0.00 C ATOM 263 NH1 ARG A 13 14.402 11.681 -4.214 1.00 0.00 N ATOM 264 NH2 ARG A 13 15.522 12.929 -5.783 1.00 0.00 N ATOM 0 H ARG A 13 11.613 9.247 -10.239 1.00 0.00 H new ATOM 0 HA ARG A 13 10.051 9.885 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.520 9.049 -8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.948 10.748 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.354 9.502 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.106 9.567 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.305 12.011 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.998 11.450 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 13 13.423 12.768 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.560 11.189 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.218 11.715 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.543 13.397 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.338 12.963 -5.172 1.00 0.00 H new ATOM 278 N GLU A 14 11.087 12.565 -9.652 1.00 0.00 N ATOM 279 CA GLU A 14 10.900 14.006 -9.770 1.00 0.00 C ATOM 280 C GLU A 14 9.415 14.349 -9.664 1.00 0.00 C ATOM 281 O GLU A 14 9.041 15.406 -9.151 1.00 0.00 O ATOM 282 CB GLU A 14 11.462 14.502 -11.103 1.00 0.00 C ATOM 283 CG GLU A 14 11.507 16.014 -11.222 1.00 0.00 C ATOM 284 CD GLU A 14 12.090 16.471 -12.539 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.379 15.615 -13.395 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.260 17.693 -12.725 1.00 0.00 O ATOM 0 H GLU A 14 11.620 12.148 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 14 11.435 14.500 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.469 14.106 -11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.855 14.101 -11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.499 16.414 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.100 16.423 -10.404 1.00 0.00 H new ATOM 293 N ALA A 15 8.575 13.425 -10.118 1.00 0.00 N ATOM 294 CA ALA A 15 7.137 13.592 -10.048 1.00 0.00 C ATOM 295 C ALA A 15 6.555 12.661 -8.976 1.00 0.00 C ATOM 296 O ALA A 15 5.529 12.963 -8.380 1.00 0.00 O ATOM 297 CB ALA A 15 6.504 13.324 -11.403 1.00 0.00 C ATOM 0 H ALA A 15 8.874 12.546 -10.541 1.00 0.00 H new ATOM 0 HA ALA A 15 6.912 14.622 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.424 13.454 -11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.906 14.022 -12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.727 12.303 -11.713 1.00 0.00 H new ATOM 303 N LEU A 16 7.242 11.534 -8.745 1.00 0.00 N ATOM 304 CA LEU A 16 6.842 10.525 -7.748 1.00 0.00 C ATOM 305 C LEU A 16 6.479 11.148 -6.401 1.00 0.00 C ATOM 306 O LEU A 16 5.317 11.391 -6.128 1.00 0.00 O ATOM 307 CB LEU A 16 7.974 9.517 -7.545 1.00 0.00 C ATOM 308 CG LEU A 16 7.680 8.420 -6.524 1.00 0.00 C ATOM 309 CD1 LEU A 16 6.642 7.460 -7.059 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.949 7.676 -6.154 1.00 0.00 C ATOM 0 H LEU A 16 8.097 11.293 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 16 5.953 10.027 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.202 9.050 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.869 10.055 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 16 7.284 8.891 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.446 6.686 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.720 8.002 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.010 6.999 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.716 6.899 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.377 7.220 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.667 8.374 -5.723 1.00 0.00 H new ATOM 322 N GLU A 17 7.479 11.380 -5.564 1.00 0.00 N ATOM 323 CA GLU A 17 7.269 11.936 -4.226 1.00 0.00 C ATOM 324 C GLU A 17 6.664 13.347 -4.262 1.00 0.00 C ATOM 325 O GLU A 17 6.276 13.893 -3.231 1.00 0.00 O ATOM 326 CB GLU A 17 8.604 11.926 -3.471 1.00 0.00 C ATOM 327 CG GLU A 17 8.479 12.156 -1.972 1.00 0.00 C ATOM 328 CD GLU A 17 9.810 12.033 -1.257 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.763 12.733 -1.653 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.910 11.240 -0.295 1.00 0.00 O ATOM 0 H GLU A 17 8.456 11.191 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 17 6.543 11.312 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.096 10.968 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.251 12.695 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.063 13.147 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.777 11.435 -1.554 1.00 0.00 H new ATOM 337 N LYS A 18 6.579 13.941 -5.443 1.00 0.00 N ATOM 338 CA LYS A 18 6.013 15.276 -5.577 1.00 0.00 C ATOM 339 C LYS A 18 4.487 15.223 -5.721 1.00 0.00 C ATOM 340 O LYS A 18 3.772 16.041 -5.144 1.00 0.00 O ATOM 341 CB LYS A 18 6.649 15.992 -6.780 1.00 0.00 C ATOM 342 CG LYS A 18 6.419 17.500 -6.825 1.00 0.00 C ATOM 343 CD LYS A 18 5.054 17.876 -7.386 1.00 0.00 C ATOM 344 CE LYS A 18 4.897 17.451 -8.839 1.00 0.00 C ATOM 345 NZ LYS A 18 3.558 17.800 -9.379 1.00 0.00 N ATOM 0 H LYS A 18 6.893 13.523 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 18 6.236 15.838 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.722 15.803 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.255 15.552 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.517 17.907 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.196 17.963 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.274 17.408 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.914 18.954 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.668 17.931 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.052 16.375 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.493 17.493 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.823 17.322 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.419 18.829 -9.325 1.00 0.00 H new ATOM 359 N ASP A 19 4.002 14.282 -6.523 1.00 0.00 N ATOM 360 CA ASP A 19 2.565 14.149 -6.781 1.00 0.00 C ATOM 361 C ASP A 19 1.950 12.994 -5.981 1.00 0.00 C ATOM 362 O ASP A 19 0.779 13.049 -5.598 1.00 0.00 O ATOM 363 CB ASP A 19 2.338 13.936 -8.280 1.00 0.00 C ATOM 364 CG ASP A 19 0.902 14.159 -8.706 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.415 15.304 -8.592 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.270 13.205 -9.185 1.00 0.00 O ATOM 0 H ASP A 19 4.581 13.597 -7.009 1.00 0.00 H new ATOM 0 HA ASP A 19 2.072 15.066 -6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.985 14.613 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.635 12.921 -8.545 1.00 0.00 H new ATOM 371 N ILE A 20 2.746 11.958 -5.734 1.00 0.00 N ATOM 372 CA ILE A 20 2.293 10.786 -4.985 1.00 0.00 C ATOM 373 C ILE A 20 1.876 11.189 -3.559 1.00 0.00 C ATOM 374 O ILE A 20 2.515 12.032 -2.926 1.00 0.00 O ATOM 375 CB ILE A 20 3.401 9.682 -4.958 1.00 0.00 C ATOM 376 CG1 ILE A 20 2.801 8.275 -5.108 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.248 9.759 -3.692 1.00 0.00 C ATOM 378 CD1 ILE A 20 3.845 7.196 -5.368 1.00 0.00 C ATOM 0 H ILE A 20 3.716 11.905 -6.044 1.00 0.00 H new ATOM 0 HA ILE A 20 1.421 10.369 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 20 4.050 9.872 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.249 8.025 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.083 8.280 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.005 8.975 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.735 10.733 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.610 9.624 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.352 6.228 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.381 7.423 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.550 7.164 -4.537 1.00 0.00 H new ATOM 390 N LYS A 21 0.798 10.599 -3.073 1.00 0.00 N ATOM 391 CA LYS A 21 0.291 10.904 -1.740 1.00 0.00 C ATOM 392 C LYS A 21 -0.094 9.611 -1.022 1.00 0.00 C ATOM 393 O LYS A 21 0.049 8.527 -1.586 1.00 0.00 O ATOM 394 CB LYS A 21 -0.902 11.860 -1.837 1.00 0.00 C ATOM 395 CG LYS A 21 -0.781 13.071 -0.922 1.00 0.00 C ATOM 396 CD LYS A 21 -1.825 14.126 -1.242 1.00 0.00 C ATOM 397 CE LYS A 21 -1.713 15.322 -0.312 1.00 0.00 C ATOM 398 NZ LYS A 21 -2.540 16.469 -0.770 1.00 0.00 N ATOM 0 H LYS A 21 0.253 9.903 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 21 1.071 11.397 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.002 12.201 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.814 11.317 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.890 12.755 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.215 13.503 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.707 14.455 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.821 13.691 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.023 15.030 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.670 15.632 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.432 17.262 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.228 16.766 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.539 16.183 -0.809 1.00 0.00 H new ATOM 412 N THR A 22 -0.559 9.712 0.219 1.00 0.00 N ATOM 413 CA THR A 22 -0.924 8.521 0.975 1.00 0.00 C ATOM 414 C THR A 22 -2.404 8.514 1.403 1.00 0.00 C ATOM 415 O THR A 22 -3.238 8.056 0.635 1.00 0.00 O ATOM 416 CB THR A 22 0.034 8.310 2.185 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.486 7.317 3.078 1.00 0.00 O ATOM 418 CG2 THR A 22 0.285 9.610 2.944 1.00 0.00 C ATOM 0 H THR A 22 -0.690 10.593 0.716 1.00 0.00 H new ATOM 0 HA THR A 22 -0.805 7.671 0.303 1.00 0.00 H new ATOM 0 HB THR A 22 0.987 7.965 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.042 7.311 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.958 9.419 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.737 10.341 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.661 10.000 3.321 1.00 0.00 H new ATOM 426 N SER A 23 -2.688 8.992 2.624 1.00 0.00 N ATOM 427 CA SER A 23 -4.037 9.042 3.240 1.00 0.00 C ATOM 428 C SER A 23 -5.221 8.662 2.324 1.00 0.00 C ATOM 429 O SER A 23 -5.843 7.620 2.520 1.00 0.00 O ATOM 430 CB SER A 23 -4.276 10.428 3.852 1.00 0.00 C ATOM 431 OG SER A 23 -4.080 11.472 2.908 1.00 0.00 O ATOM 0 H SER A 23 -1.965 9.369 3.237 1.00 0.00 H new ATOM 0 HA SER A 23 -4.020 8.262 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.292 10.480 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.601 10.572 4.696 1.00 0.00 H new ATOM 0 HG SER A 23 -4.244 12.337 3.338 1.00 0.00 H new ATOM 437 N TYR A 24 -5.544 9.515 1.360 1.00 0.00 N ATOM 438 CA TYR A 24 -6.672 9.285 0.447 1.00 0.00 C ATOM 439 C TYR A 24 -6.449 8.067 -0.453 1.00 0.00 C ATOM 440 O TYR A 24 -7.270 7.146 -0.489 1.00 0.00 O ATOM 441 CB TYR A 24 -6.888 10.526 -0.424 1.00 0.00 C ATOM 442 CG TYR A 24 -7.443 11.733 0.311 1.00 0.00 C ATOM 443 CD1 TYR A 24 -6.954 12.101 1.559 1.00 0.00 C ATOM 444 CD2 TYR A 24 -8.445 12.510 -0.253 1.00 0.00 C ATOM 445 CE1 TYR A 24 -7.446 13.203 2.222 1.00 0.00 C ATOM 446 CE2 TYR A 24 -8.944 13.618 0.406 1.00 0.00 C ATOM 447 CZ TYR A 24 -8.439 13.958 1.644 1.00 0.00 C ATOM 448 OH TYR A 24 -8.927 15.056 2.310 1.00 0.00 O ATOM 0 H TYR A 24 -5.038 10.383 1.184 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.553 9.090 1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.937 10.802 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.568 10.269 -1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.174 11.512 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.841 12.245 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.054 13.473 3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.724 14.213 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.623 15.484 1.769 1.00 0.00 H new ATOM 458 N ILE A 25 -5.333 8.075 -1.173 1.00 0.00 N ATOM 459 CA ILE A 25 -4.967 6.987 -2.075 1.00 0.00 C ATOM 460 C ILE A 25 -4.907 5.664 -1.312 1.00 0.00 C ATOM 461 O ILE A 25 -5.364 4.612 -1.782 1.00 0.00 O ATOM 462 CB ILE A 25 -3.586 7.278 -2.710 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.667 8.530 -3.582 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.083 6.089 -3.514 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.340 8.938 -4.171 1.00 0.00 C ATOM 0 H ILE A 25 -4.655 8.837 -1.148 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.721 6.912 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.870 7.453 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.376 8.355 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.060 9.354 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.111 6.327 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.987 5.222 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.790 5.864 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.471 9.834 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.633 9.145 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.955 8.131 -4.794 1.00 0.00 H new ATOM 477 N MET A 26 -4.352 5.746 -0.120 1.00 0.00 N ATOM 478 CA MET A 26 -4.208 4.613 0.767 1.00 0.00 C ATOM 479 C MET A 26 -5.558 4.173 1.316 1.00 0.00 C ATOM 480 O MET A 26 -5.726 3.017 1.681 1.00 0.00 O ATOM 481 CB MET A 26 -3.283 5.002 1.925 1.00 0.00 C ATOM 482 CG MET A 26 -3.104 3.924 2.984 1.00 0.00 C ATOM 483 SD MET A 26 -2.223 4.535 4.433 1.00 0.00 S ATOM 484 CE MET A 26 -2.073 3.037 5.401 1.00 0.00 C ATOM 0 H MET A 26 -3.983 6.616 0.264 1.00 0.00 H new ATOM 0 HA MET A 26 -3.782 3.780 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.305 5.260 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.678 5.899 2.402 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.081 3.548 3.287 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.558 3.083 2.556 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.442 3.227 6.269 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.061 2.718 5.733 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.624 2.253 4.791 1.00 0.00 H new ATOM 494 N ASP A 27 -6.528 5.080 1.365 1.00 0.00 N ATOM 495 CA ASP A 27 -7.835 4.705 1.886 1.00 0.00 C ATOM 496 C ASP A 27 -8.522 3.788 0.899 1.00 0.00 C ATOM 497 O ASP A 27 -9.123 2.787 1.270 1.00 0.00 O ATOM 498 CB ASP A 27 -8.700 5.934 2.164 1.00 0.00 C ATOM 499 CG ASP A 27 -9.941 5.596 2.970 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.799 5.069 4.095 1.00 0.00 O ATOM 501 OD2 ASP A 27 -11.060 5.855 2.485 1.00 0.00 O ATOM 0 H ASP A 27 -6.439 6.050 1.061 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.695 4.184 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.111 6.676 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.996 6.388 1.218 1.00 0.00 H new ATOM 506 N HIS A 28 -8.388 4.124 -0.366 1.00 0.00 N ATOM 507 CA HIS A 28 -8.967 3.331 -1.428 1.00 0.00 C ATOM 508 C HIS A 28 -8.285 1.973 -1.525 1.00 0.00 C ATOM 509 O HIS A 28 -8.916 0.982 -1.873 1.00 0.00 O ATOM 510 CB HIS A 28 -8.851 4.077 -2.752 1.00 0.00 C ATOM 511 CG HIS A 28 -9.797 5.228 -2.869 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.157 5.067 -2.984 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.576 6.561 -2.867 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.732 6.249 -3.051 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.799 7.179 -2.989 1.00 0.00 N ATOM 0 H HIS A 28 -7.879 4.948 -0.685 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.020 3.165 -1.202 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.830 4.442 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.035 3.381 -3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.617 7.051 -2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.793 6.428 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.957 8.186 -3.025 1.00 0.00 H new ATOM 524 N MET A 29 -6.991 1.936 -1.215 1.00 0.00 N ATOM 525 CA MET A 29 -6.226 0.693 -1.282 1.00 0.00 C ATOM 526 C MET A 29 -6.541 -0.263 -0.121 1.00 0.00 C ATOM 527 O MET A 29 -6.583 -1.479 -0.309 1.00 0.00 O ATOM 528 CB MET A 29 -4.725 0.984 -1.328 1.00 0.00 C ATOM 529 CG MET A 29 -4.237 1.483 -2.683 1.00 0.00 C ATOM 530 SD MET A 29 -2.478 1.185 -2.951 1.00 0.00 S ATOM 531 CE MET A 29 -2.475 -0.579 -3.268 1.00 0.00 C ATOM 0 H MET A 29 -6.452 2.749 -0.916 1.00 0.00 H new ATOM 0 HA MET A 29 -6.528 0.193 -2.203 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.485 1.729 -0.569 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.180 0.077 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.807 0.993 -3.472 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.435 2.552 -2.764 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.508 -0.874 -3.675 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.656 -1.116 -2.337 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.260 -0.821 -3.985 1.00 0.00 H new ATOM 541 N ILE A 30 -6.762 0.278 1.077 1.00 0.00 N ATOM 542 CA ILE A 30 -7.069 -0.563 2.234 1.00 0.00 C ATOM 543 C ILE A 30 -8.512 -1.030 2.156 1.00 0.00 C ATOM 544 O ILE A 30 -8.814 -2.190 2.422 1.00 0.00 O ATOM 545 CB ILE A 30 -6.846 0.166 3.575 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.477 0.843 3.614 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.967 -0.797 4.750 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.156 1.476 4.951 1.00 0.00 C ATOM 0 H ILE A 30 -6.735 1.279 1.271 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.386 -1.412 2.203 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.621 0.928 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.709 0.107 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.436 1.608 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.805 -0.256 5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.963 -1.240 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.220 -1.585 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.170 1.938 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.903 2.236 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.164 0.711 5.727 1.00 0.00 H new ATOM 560 N SER A 31 -9.398 -0.120 1.755 1.00 0.00 N ATOM 561 CA SER A 31 -10.812 -0.446 1.608 1.00 0.00 C ATOM 562 C SER A 31 -10.977 -1.446 0.472 1.00 0.00 C ATOM 563 O SER A 31 -11.917 -2.241 0.455 1.00 0.00 O ATOM 564 CB SER A 31 -11.635 0.813 1.340 1.00 0.00 C ATOM 565 OG SER A 31 -11.511 1.744 2.406 1.00 0.00 O ATOM 0 H SER A 31 -9.161 0.846 1.527 1.00 0.00 H new ATOM 0 HA SER A 31 -11.176 -0.888 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.305 1.275 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.683 0.544 1.208 1.00 0.00 H new ATOM 0 HG SER A 31 -10.707 2.288 2.273 1.00 0.00 H new ATOM 571 N ASP A 32 -10.019 -1.420 -0.456 1.00 0.00 N ATOM 572 CA ASP A 32 -10.004 -2.350 -1.574 1.00 0.00 C ATOM 573 C ASP A 32 -9.607 -3.725 -1.051 1.00 0.00 C ATOM 574 O ASP A 32 -9.970 -4.748 -1.625 1.00 0.00 O ATOM 575 CB ASP A 32 -9.027 -1.879 -2.654 1.00 0.00 C ATOM 576 CG ASP A 32 -9.231 -2.588 -3.976 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.396 -2.739 -4.393 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.230 -2.970 -4.621 1.00 0.00 O ATOM 0 H ASP A 32 -9.242 -0.759 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.994 -2.400 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.144 -0.805 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.006 -2.045 -2.311 1.00 0.00 H new ATOM 583 N GLY A 33 -8.884 -3.730 0.073 1.00 0.00 N ATOM 584 CA GLY A 33 -8.485 -4.985 0.682 1.00 0.00 C ATOM 585 C GLY A 33 -7.088 -5.411 0.305 1.00 0.00 C ATOM 586 O GLY A 33 -6.606 -6.448 0.760 1.00 0.00 O ATOM 0 H GLY A 33 -8.572 -2.893 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.549 -4.892 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.188 -5.764 0.387 1.00 0.00 H new ATOM 590 N PHE A 34 -6.428 -4.615 -0.518 1.00 0.00 N ATOM 591 CA PHE A 34 -5.080 -4.938 -0.944 1.00 0.00 C ATOM 592 C PHE A 34 -4.091 -4.556 0.139 1.00 0.00 C ATOM 593 O PHE A 34 -3.163 -5.313 0.439 1.00 0.00 O ATOM 594 CB PHE A 34 -4.749 -4.267 -2.275 1.00 0.00 C ATOM 595 CG PHE A 34 -5.430 -4.927 -3.437 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.752 -5.328 -3.345 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.747 -5.161 -4.611 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.379 -5.951 -4.398 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.370 -5.781 -5.673 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.688 -6.176 -5.567 1.00 0.00 C ATOM 0 H PHE A 34 -6.801 -3.747 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.009 -6.014 -1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.044 -3.219 -2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.670 -4.288 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.299 -5.149 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.715 -4.856 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.409 -6.263 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.826 -5.958 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.176 -6.661 -6.400 1.00 0.00 H new ATOM 610 N LEU A 35 -4.328 -3.425 0.774 1.00 0.00 N ATOM 611 CA LEU A 35 -3.488 -3.017 1.877 1.00 0.00 C ATOM 612 C LEU A 35 -4.157 -3.522 3.140 1.00 0.00 C ATOM 613 O LEU A 35 -5.292 -3.157 3.433 1.00 0.00 O ATOM 614 CB LEU A 35 -3.295 -1.501 1.931 1.00 0.00 C ATOM 615 CG LEU A 35 -2.661 -0.876 0.692 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.279 0.567 0.968 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.455 -1.677 0.233 1.00 0.00 C ATOM 0 H LEU A 35 -5.086 -2.781 0.547 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.489 -3.436 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.266 -1.034 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.675 -1.262 2.795 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.395 -0.892 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.828 1.001 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.170 1.134 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.564 0.603 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.023 -1.209 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.711 -1.704 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.764 -2.694 -0.009 1.00 0.00 H new ATOM 629 N THR A 36 -3.482 -4.396 3.856 1.00 0.00 N ATOM 630 CA THR A 36 -4.048 -4.982 5.057 1.00 0.00 C ATOM 631 C THR A 36 -3.728 -4.130 6.277 1.00 0.00 C ATOM 632 O THR A 36 -3.168 -3.038 6.150 1.00 0.00 O ATOM 633 CB THR A 36 -3.502 -6.411 5.272 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.077 -6.372 5.467 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.832 -7.301 4.078 1.00 0.00 C ATOM 0 H THR A 36 -2.541 -4.718 3.629 1.00 0.00 H new ATOM 0 HA THR A 36 -5.130 -5.026 4.929 1.00 0.00 H new ATOM 0 HB THR A 36 -3.977 -6.827 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.635 -6.187 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.438 -8.303 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.913 -7.353 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.381 -6.884 3.178 1.00 0.00 H new ATOM 643 N ILE A 37 -4.047 -4.647 7.457 1.00 0.00 N ATOM 644 CA ILE A 37 -3.751 -3.946 8.693 1.00 0.00 C ATOM 645 C ILE A 37 -2.233 -3.841 8.852 1.00 0.00 C ATOM 646 O ILE A 37 -1.723 -2.944 9.514 1.00 0.00 O ATOM 647 CB ILE A 37 -4.372 -4.676 9.905 1.00 0.00 C ATOM 648 CG1 ILE A 37 -5.871 -4.879 9.677 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.127 -3.896 11.186 1.00 0.00 C ATOM 650 CD1 ILE A 37 -6.553 -5.672 10.770 1.00 0.00 C ATOM 0 H ILE A 37 -4.510 -5.548 7.581 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.186 -2.947 8.652 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.896 -5.651 10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.352 -3.904 9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.018 -5.389 8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.573 -4.428 12.027 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.054 -3.793 11.349 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.578 -2.907 11.102 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.613 -5.774 10.538 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.100 -6.661 10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.438 -5.153 11.722 1.00 0.00 H new ATOM 662 N SER A 38 -1.516 -4.749 8.192 1.00 0.00 N ATOM 663 CA SER A 38 -0.061 -4.741 8.220 1.00 0.00 C ATOM 664 C SER A 38 0.458 -3.543 7.427 1.00 0.00 C ATOM 665 O SER A 38 1.301 -2.784 7.914 1.00 0.00 O ATOM 666 CB SER A 38 0.476 -6.050 7.641 1.00 0.00 C ATOM 667 OG SER A 38 1.890 -6.095 7.678 1.00 0.00 O ATOM 0 H SER A 38 -1.923 -5.498 7.632 1.00 0.00 H new ATOM 0 HA SER A 38 0.286 -4.654 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.070 -6.891 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.135 -6.160 6.612 1.00 0.00 H new ATOM 0 HG SER A 38 2.200 -6.945 7.302 1.00 0.00 H new ATOM 673 N GLU A 39 -0.082 -3.355 6.222 1.00 0.00 N ATOM 674 CA GLU A 39 0.300 -2.226 5.386 1.00 0.00 C ATOM 675 C GLU A 39 -0.129 -0.926 6.054 1.00 0.00 C ATOM 676 O GLU A 39 0.621 0.049 6.087 1.00 0.00 O ATOM 677 CB GLU A 39 -0.335 -2.320 3.997 1.00 0.00 C ATOM 678 CG GLU A 39 0.377 -3.269 3.043 1.00 0.00 C ATOM 679 CD GLU A 39 0.195 -4.726 3.401 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.962 -5.175 3.491 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.203 -5.435 3.557 1.00 0.00 O ATOM 0 H GLU A 39 -0.783 -3.970 5.808 1.00 0.00 H new ATOM 0 HA GLU A 39 1.383 -2.245 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.371 -2.642 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.356 -1.325 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.007 -3.102 2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.441 -3.034 3.035 1.00 0.00 H new ATOM 688 N GLU A 40 -1.340 -0.946 6.597 1.00 0.00 N ATOM 689 CA GLU A 40 -1.899 0.203 7.284 1.00 0.00 C ATOM 690 C GLU A 40 -1.014 0.604 8.462 1.00 0.00 C ATOM 691 O GLU A 40 -0.634 1.765 8.593 1.00 0.00 O ATOM 692 CB GLU A 40 -3.312 -0.124 7.776 1.00 0.00 C ATOM 693 CG GLU A 40 -4.013 1.040 8.460 1.00 0.00 C ATOM 694 CD GLU A 40 -5.361 0.650 9.029 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.410 -0.251 9.890 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.382 1.250 8.626 1.00 0.00 O ATOM 0 H GLU A 40 -1.957 -1.758 6.572 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.947 1.040 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.915 -0.450 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.259 -0.962 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.380 1.421 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.145 1.852 7.745 1.00 0.00 H new ATOM 703 N GLU A 41 -0.698 -0.369 9.314 1.00 0.00 N ATOM 704 CA GLU A 41 0.127 -0.135 10.497 1.00 0.00 C ATOM 705 C GLU A 41 1.447 0.536 10.142 1.00 0.00 C ATOM 706 O GLU A 41 1.838 1.502 10.783 1.00 0.00 O ATOM 707 CB GLU A 41 0.410 -1.443 11.242 1.00 0.00 C ATOM 708 CG GLU A 41 1.182 -1.240 12.540 1.00 0.00 C ATOM 709 CD GLU A 41 1.672 -2.538 13.151 1.00 0.00 C ATOM 710 OE1 GLU A 41 0.843 -3.430 13.416 1.00 0.00 O ATOM 711 OE2 GLU A 41 2.892 -2.666 13.378 1.00 0.00 O ATOM 0 H GLU A 41 -1.004 -1.336 9.205 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.440 0.533 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.535 -1.940 11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.976 -2.109 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.036 -0.590 12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.544 -0.726 13.258 1.00 0.00 H new ATOM 718 N LYS A 42 2.139 0.016 9.134 1.00 0.00 N ATOM 719 CA LYS A 42 3.433 0.574 8.729 1.00 0.00 C ATOM 720 C LYS A 42 3.331 2.036 8.307 1.00 0.00 C ATOM 721 O LYS A 42 3.988 2.902 8.890 1.00 0.00 O ATOM 722 CB LYS A 42 4.045 -0.240 7.581 1.00 0.00 C ATOM 723 CG LYS A 42 4.350 -1.688 7.924 1.00 0.00 C ATOM 724 CD LYS A 42 4.923 -2.423 6.721 1.00 0.00 C ATOM 725 CE LYS A 42 5.244 -3.874 7.040 1.00 0.00 C ATOM 726 NZ LYS A 42 5.799 -4.597 5.862 1.00 0.00 N ATOM 0 H LYS A 42 1.832 -0.786 8.583 1.00 0.00 H new ATOM 0 HA LYS A 42 4.078 0.518 9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.361 -0.218 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.967 0.245 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.059 -1.728 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.440 -2.186 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.210 -2.382 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.828 -1.917 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.961 -3.914 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.340 -4.378 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.004 -5.582 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.106 -4.582 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.676 -4.132 5.551 1.00 0.00 H new ATOM 740 N VAL A 43 2.532 2.300 7.283 1.00 0.00 N ATOM 741 CA VAL A 43 2.364 3.657 6.766 1.00 0.00 C ATOM 742 C VAL A 43 1.863 4.610 7.854 1.00 0.00 C ATOM 743 O VAL A 43 2.237 5.788 7.893 1.00 0.00 O ATOM 744 CB VAL A 43 1.373 3.658 5.586 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.136 5.064 5.064 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.875 2.756 4.473 1.00 0.00 C ATOM 0 H VAL A 43 1.987 1.592 6.790 1.00 0.00 H new ATOM 0 HA VAL A 43 3.339 4.005 6.425 1.00 0.00 H new ATOM 0 HB VAL A 43 0.420 3.272 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.432 5.030 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.725 5.684 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.080 5.490 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.164 2.767 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.843 3.114 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.979 1.738 4.848 1.00 0.00 H new ATOM 756 N ARG A 44 1.011 4.098 8.732 1.00 0.00 N ATOM 757 CA ARG A 44 0.442 4.909 9.800 1.00 0.00 C ATOM 758 C ARG A 44 1.418 5.070 10.970 1.00 0.00 C ATOM 759 O ARG A 44 1.373 6.070 11.694 1.00 0.00 O ATOM 760 CB ARG A 44 -0.882 4.288 10.276 1.00 0.00 C ATOM 761 CG ARG A 44 -1.798 5.249 11.013 1.00 0.00 C ATOM 762 CD ARG A 44 -1.722 5.070 12.521 1.00 0.00 C ATOM 763 NE ARG A 44 -2.823 5.755 13.204 1.00 0.00 N ATOM 764 CZ ARG A 44 -4.108 5.408 13.079 1.00 0.00 C ATOM 765 NH1 ARG A 44 -4.440 4.306 12.430 1.00 0.00 N ATOM 766 NH2 ARG A 44 -5.051 6.143 13.647 1.00 0.00 N ATOM 0 H ARG A 44 0.699 3.127 8.726 1.00 0.00 H new ATOM 0 HA ARG A 44 0.248 5.906 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.414 3.890 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.659 3.445 10.930 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.530 6.274 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.825 5.096 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.748 4.008 12.763 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.770 5.457 12.886 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.595 6.543 13.810 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.715 3.716 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.422 4.045 12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.797 6.975 14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.031 5.878 13.551 1.00 0.00 H new ATOM 780 N ASN A 45 2.301 4.092 11.169 1.00 0.00 N ATOM 781 CA ASN A 45 3.265 4.161 12.266 1.00 0.00 C ATOM 782 C ASN A 45 4.283 5.273 12.020 1.00 0.00 C ATOM 783 O ASN A 45 4.735 5.930 12.961 1.00 0.00 O ATOM 784 CB ASN A 45 3.948 2.796 12.460 1.00 0.00 C ATOM 785 CG ASN A 45 5.457 2.825 12.292 1.00 0.00 C ATOM 786 OD1 ASN A 45 6.185 3.355 13.133 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.934 2.245 11.207 1.00 0.00 N ATOM 0 H ASN A 45 2.369 3.253 10.593 1.00 0.00 H new ATOM 0 HA ASN A 45 2.736 4.403 13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.712 2.423 13.456 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.528 2.087 11.746 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.940 2.224 11.040 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.297 1.817 10.535 1.00 0.00 H new ATOM 794 N GLU A 46 4.617 5.488 10.752 1.00 0.00 N ATOM 795 CA GLU A 46 5.562 6.531 10.367 1.00 0.00 C ATOM 796 C GLU A 46 5.057 7.901 10.844 1.00 0.00 C ATOM 797 O GLU A 46 3.848 8.126 10.924 1.00 0.00 O ATOM 798 CB GLU A 46 5.773 6.498 8.858 1.00 0.00 C ATOM 799 CG GLU A 46 6.201 5.129 8.327 1.00 0.00 C ATOM 800 CD GLU A 46 7.626 4.750 8.706 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.979 4.842 9.897 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.390 4.335 7.813 1.00 0.00 O ATOM 0 H GLU A 46 4.245 4.951 9.969 1.00 0.00 H new ATOM 0 HA GLU A 46 6.525 6.352 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.848 6.797 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.530 7.235 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.518 4.370 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.109 5.124 7.241 1.00 0.00 H new ATOM 809 N PRO A 47 5.977 8.819 11.202 1.00 0.00 N ATOM 810 CA PRO A 47 5.625 10.150 11.739 1.00 0.00 C ATOM 811 C PRO A 47 4.767 11.038 10.832 1.00 0.00 C ATOM 812 O PRO A 47 3.590 11.267 11.114 1.00 0.00 O ATOM 813 CB PRO A 47 6.993 10.802 11.982 1.00 0.00 C ATOM 814 CG PRO A 47 7.948 9.667 12.101 1.00 0.00 C ATOM 815 CD PRO A 47 7.443 8.632 11.148 1.00 0.00 C ATOM 0 HA PRO A 47 4.995 10.035 12.621 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.266 11.463 11.159 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.986 11.408 12.888 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.962 9.976 11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.979 9.283 13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.833 8.785 10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.733 7.627 11.453 1.00 0.00 H new ATOM 823 N THR A 48 5.353 11.566 9.771 1.00 0.00 N ATOM 824 CA THR A 48 4.625 12.457 8.876 1.00 0.00 C ATOM 825 C THR A 48 4.640 11.906 7.474 1.00 0.00 C ATOM 826 O THR A 48 5.177 10.822 7.256 1.00 0.00 O ATOM 827 CB THR A 48 5.250 13.872 8.876 1.00 0.00 C ATOM 828 OG1 THR A 48 6.619 13.807 8.446 1.00 0.00 O ATOM 829 CG2 THR A 48 5.191 14.488 10.264 1.00 0.00 C ATOM 0 H THR A 48 6.324 11.397 9.507 1.00 0.00 H new ATOM 0 HA THR A 48 3.597 12.527 9.232 1.00 0.00 H new ATOM 0 HB THR A 48 4.678 14.494 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.006 14.708 8.448 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.636 15.483 10.240 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.152 14.563 10.585 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.743 13.861 10.964 1.00 0.00 H new ATOM 837 N GLN A 49 4.075 12.661 6.527 1.00 0.00 N ATOM 838 CA GLN A 49 4.038 12.256 5.122 1.00 0.00 C ATOM 839 C GLN A 49 5.417 11.801 4.655 1.00 0.00 C ATOM 840 O GLN A 49 5.536 10.975 3.762 1.00 0.00 O ATOM 841 CB GLN A 49 3.555 13.405 4.239 1.00 0.00 C ATOM 842 CG GLN A 49 3.632 13.080 2.755 1.00 0.00 C ATOM 843 CD GLN A 49 3.614 14.317 1.889 1.00 0.00 C ATOM 844 OE1 GLN A 49 2.602 15.008 1.779 1.00 0.00 O ATOM 845 NE2 GLN A 49 4.742 14.609 1.273 1.00 0.00 N ATOM 0 H GLN A 49 3.634 13.562 6.712 1.00 0.00 H new ATOM 0 HA GLN A 49 3.340 11.424 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.525 13.650 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.155 14.292 4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.543 12.515 2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.794 12.438 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.558 14.009 1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.799 15.435 0.678 1.00 0.00 H new ATOM 854 N GLN A 50 6.442 12.334 5.313 1.00 0.00 N ATOM 855 CA GLN A 50 7.829 11.998 5.043 1.00 0.00 C ATOM 856 C GLN A 50 7.999 10.483 4.913 1.00 0.00 C ATOM 857 O GLN A 50 8.101 9.942 3.809 1.00 0.00 O ATOM 858 CB GLN A 50 8.675 12.545 6.196 1.00 0.00 C ATOM 859 CG GLN A 50 10.107 12.051 6.248 1.00 0.00 C ATOM 860 CD GLN A 50 10.730 12.346 7.595 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.054 13.492 7.900 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.865 11.322 8.419 1.00 0.00 N ATOM 0 H GLN A 50 6.327 13.021 6.058 1.00 0.00 H new ATOM 0 HA GLN A 50 8.151 12.441 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.687 13.633 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.186 12.288 7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.133 10.978 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.690 12.529 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.582 10.388 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.252 11.466 9.352 1.00 0.00 H new ATOM 871 N GLN A 51 7.987 9.805 6.049 1.00 0.00 N ATOM 872 CA GLN A 51 8.111 8.358 6.071 1.00 0.00 C ATOM 873 C GLN A 51 6.750 7.710 5.852 1.00 0.00 C ATOM 874 O GLN A 51 6.672 6.526 5.566 1.00 0.00 O ATOM 875 CB GLN A 51 8.723 7.888 7.396 1.00 0.00 C ATOM 876 CG GLN A 51 10.207 8.200 7.519 1.00 0.00 C ATOM 877 CD GLN A 51 10.702 8.108 8.948 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.208 8.811 9.823 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.691 7.261 9.195 1.00 0.00 N ATOM 0 H GLN A 51 7.892 10.235 6.969 1.00 0.00 H new ATOM 0 HA GLN A 51 8.776 8.055 5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.190 8.360 8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.576 6.813 7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.774 7.508 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.397 9.202 7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.076 6.693 8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.067 7.177 10.139 1.00 0.00 H new ATOM 888 N ARG A 52 5.678 8.486 5.980 1.00 0.00 N ATOM 889 CA ARG A 52 4.326 7.948 5.792 1.00 0.00 C ATOM 890 C ARG A 52 4.053 7.673 4.318 1.00 0.00 C ATOM 891 O ARG A 52 3.755 6.542 3.935 1.00 0.00 O ATOM 892 CB ARG A 52 3.275 8.904 6.362 1.00 0.00 C ATOM 893 CG ARG A 52 1.848 8.378 6.303 1.00 0.00 C ATOM 894 CD ARG A 52 0.954 9.103 7.298 1.00 0.00 C ATOM 895 NE ARG A 52 1.432 8.936 8.674 1.00 0.00 N ATOM 896 CZ ARG A 52 0.873 9.500 9.740 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.186 10.284 9.609 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.382 9.285 10.944 1.00 0.00 N ATOM 0 H ARG A 52 5.713 9.479 6.210 1.00 0.00 H new ATOM 0 HA ARG A 52 4.261 7.005 6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.526 9.123 7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.325 9.846 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.452 8.504 5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.842 7.309 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.919 10.164 7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.064 8.723 7.217 1.00 0.00 H new ATOM 0 HE ARG A 52 2.250 8.346 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.579 10.459 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.608 10.712 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.202 8.687 11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.954 9.717 11.763 1.00 0.00 H new ATOM 912 N ALA A 53 4.186 8.695 3.483 1.00 0.00 N ATOM 913 CA ALA A 53 3.977 8.523 2.056 1.00 0.00 C ATOM 914 C ALA A 53 5.070 7.643 1.491 1.00 0.00 C ATOM 915 O ALA A 53 4.801 6.767 0.675 1.00 0.00 O ATOM 916 CB ALA A 53 3.936 9.858 1.337 1.00 0.00 C ATOM 0 H ALA A 53 4.435 9.642 3.768 1.00 0.00 H new ATOM 0 HA ALA A 53 3.011 8.043 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.778 9.693 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.120 10.461 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.880 10.381 1.487 1.00 0.00 H new ATOM 922 N ALA A 54 6.303 7.848 1.951 1.00 0.00 N ATOM 923 CA ALA A 54 7.412 7.031 1.489 1.00 0.00 C ATOM 924 C ALA A 54 7.175 5.572 1.848 1.00 0.00 C ATOM 925 O ALA A 54 7.565 4.692 1.099 1.00 0.00 O ATOM 926 CB ALA A 54 8.736 7.502 2.066 1.00 0.00 C ATOM 0 H ALA A 54 6.553 8.564 2.634 1.00 0.00 H new ATOM 0 HA ALA A 54 7.467 7.132 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.541 6.866 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.920 8.532 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.699 7.446 3.154 1.00 0.00 H new ATOM 932 N MET A 55 6.509 5.322 2.978 1.00 0.00 N ATOM 933 CA MET A 55 6.209 3.963 3.392 1.00 0.00 C ATOM 934 C MET A 55 5.180 3.359 2.453 1.00 0.00 C ATOM 935 O MET A 55 5.252 2.181 2.124 1.00 0.00 O ATOM 936 CB MET A 55 5.696 3.937 4.834 1.00 0.00 C ATOM 937 CG MET A 55 5.413 2.534 5.353 1.00 0.00 C ATOM 938 SD MET A 55 6.870 1.467 5.320 1.00 0.00 S ATOM 939 CE MET A 55 6.227 0.041 4.445 1.00 0.00 C ATOM 0 H MET A 55 6.172 6.044 3.615 1.00 0.00 H new ATOM 0 HA MET A 55 7.124 3.372 3.348 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.432 4.414 5.482 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.784 4.530 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.039 2.598 6.375 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.624 2.082 4.752 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.858 -0.824 4.646 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.211 -0.165 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.220 0.244 3.374 1.00 0.00 H new ATOM 949 N LEU A 56 4.240 4.182 1.995 1.00 0.00 N ATOM 950 CA LEU A 56 3.219 3.729 1.060 1.00 0.00 C ATOM 951 C LEU A 56 3.898 3.295 -0.238 1.00 0.00 C ATOM 952 O LEU A 56 3.714 2.170 -0.717 1.00 0.00 O ATOM 953 CB LEU A 56 2.211 4.846 0.784 1.00 0.00 C ATOM 954 CG LEU A 56 0.844 4.377 0.295 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.067 3.737 1.432 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.062 5.531 -0.299 1.00 0.00 C ATOM 0 H LEU A 56 4.166 5.165 2.257 1.00 0.00 H new ATOM 0 HA LEU A 56 2.678 2.887 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.074 5.425 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.634 5.521 0.040 1.00 0.00 H new ATOM 0 HG LEU A 56 0.996 3.631 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.906 3.408 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.621 2.879 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.072 4.464 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.909 5.174 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.081 6.302 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.613 5.948 -1.142 1.00 0.00 H new ATOM 968 N ILE A 57 4.727 4.194 -0.770 1.00 0.00 N ATOM 969 CA ILE A 57 5.498 3.921 -1.987 1.00 0.00 C ATOM 970 C ILE A 57 6.430 2.724 -1.740 1.00 0.00 C ATOM 971 O ILE A 57 6.683 1.910 -2.628 1.00 0.00 O ATOM 972 CB ILE A 57 6.342 5.159 -2.404 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.579 6.447 -2.135 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.716 5.099 -3.885 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.456 7.675 -2.223 1.00 0.00 C ATOM 0 H ILE A 57 4.883 5.122 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 57 4.802 3.694 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 57 7.254 5.146 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.762 6.537 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.129 6.397 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.306 5.977 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.301 4.199 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.809 5.077 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.858 8.564 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.258 7.603 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.885 7.745 -3.222 1.00 0.00 H new ATOM 987 N LYS A 58 6.916 2.626 -0.502 1.00 0.00 N ATOM 988 CA LYS A 58 7.808 1.548 -0.077 1.00 0.00 C ATOM 989 C LYS A 58 7.099 0.187 -0.089 1.00 0.00 C ATOM 990 O LYS A 58 7.699 -0.819 -0.460 1.00 0.00 O ATOM 991 CB LYS A 58 8.376 1.869 1.310 1.00 0.00 C ATOM 992 CG LYS A 58 9.315 0.816 1.863 1.00 0.00 C ATOM 993 CD LYS A 58 9.828 1.215 3.236 1.00 0.00 C ATOM 994 CE LYS A 58 10.855 0.226 3.770 1.00 0.00 C ATOM 995 NZ LYS A 58 11.319 0.601 5.131 1.00 0.00 N ATOM 0 H LYS A 58 6.701 3.295 0.237 1.00 0.00 H new ATOM 0 HA LYS A 58 8.631 1.478 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.906 2.820 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.548 2.001 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.797 -0.141 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.155 0.678 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.275 2.208 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.991 1.280 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.420 -0.773 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.708 0.185 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.017 -0.094 5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.756 1.544 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.508 0.616 5.782 1.00 0.00 H new ATOM 1009 N MET A 59 5.820 0.143 0.285 1.00 0.00 N ATOM 1010 CA MET A 59 5.082 -1.129 0.260 1.00 0.00 C ATOM 1011 C MET A 59 5.025 -1.636 -1.168 1.00 0.00 C ATOM 1012 O MET A 59 5.242 -2.817 -1.445 1.00 0.00 O ATOM 1013 CB MET A 59 3.633 -0.984 0.728 1.00 0.00 C ATOM 1014 CG MET A 59 3.399 -0.039 1.884 1.00 0.00 C ATOM 1015 SD MET A 59 1.640 0.238 2.156 1.00 0.00 S ATOM 1016 CE MET A 59 1.074 0.568 0.472 1.00 0.00 C ATOM 0 H MET A 59 5.281 0.949 0.602 1.00 0.00 H new ATOM 0 HA MET A 59 5.607 -1.808 0.932 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.032 -0.648 -0.117 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.263 -1.970 1.010 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.849 -0.449 2.788 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.893 0.912 1.685 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.147 1.140 0.505 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.834 1.139 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.899 -0.376 -0.045 1.00 0.00 H new ATOM 1026 N ILE A 60 4.710 -0.714 -2.069 1.00 0.00 N ATOM 1027 CA ILE A 60 4.589 -1.012 -3.484 1.00 0.00 C ATOM 1028 C ILE A 60 5.933 -1.450 -4.062 1.00 0.00 C ATOM 1029 O ILE A 60 5.988 -2.184 -5.045 1.00 0.00 O ATOM 1030 CB ILE A 60 4.049 0.213 -4.241 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.779 0.717 -3.566 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.764 -0.132 -5.695 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.505 2.169 -3.844 1.00 0.00 C ATOM 0 H ILE A 60 4.532 0.263 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 60 3.884 -1.835 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 60 4.806 0.996 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.932 0.121 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.862 0.568 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.383 0.750 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.683 -0.465 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.021 -0.928 -5.741 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.588 2.470 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.336 2.772 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.392 2.319 -4.918 1.00 0.00 H new ATOM 1045 N LEU A 61 7.017 -1.030 -3.426 1.00 0.00 N ATOM 1046 CA LEU A 61 8.351 -1.418 -3.869 1.00 0.00 C ATOM 1047 C LEU A 61 8.524 -2.937 -3.850 1.00 0.00 C ATOM 1048 O LEU A 61 9.351 -3.481 -4.589 1.00 0.00 O ATOM 1049 CB LEU A 61 9.421 -0.775 -2.981 1.00 0.00 C ATOM 1050 CG LEU A 61 9.871 0.628 -3.399 1.00 0.00 C ATOM 1051 CD1 LEU A 61 10.705 1.268 -2.299 1.00 0.00 C ATOM 1052 CD2 LEU A 61 10.670 0.557 -4.691 1.00 0.00 C ATOM 0 H LEU A 61 7.001 -0.424 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 61 8.469 -1.066 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.040 -0.726 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.294 -1.427 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 61 8.987 1.243 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.017 2.264 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.110 1.343 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.586 0.656 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.985 1.560 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.549 -0.071 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.050 0.131 -5.479 1.00 0.00 H new ATOM 1064 N LYS A 62 7.757 -3.623 -3.001 1.00 0.00 N ATOM 1065 CA LYS A 62 7.864 -5.073 -2.892 1.00 0.00 C ATOM 1066 C LYS A 62 6.500 -5.761 -2.721 1.00 0.00 C ATOM 1067 O LYS A 62 6.378 -6.734 -1.973 1.00 0.00 O ATOM 1068 CB LYS A 62 8.788 -5.418 -1.718 1.00 0.00 C ATOM 1069 CG LYS A 62 8.405 -4.735 -0.408 1.00 0.00 C ATOM 1070 CD LYS A 62 9.538 -4.781 0.610 1.00 0.00 C ATOM 1071 CE LYS A 62 9.830 -6.197 1.084 1.00 0.00 C ATOM 1072 NZ LYS A 62 8.749 -6.741 1.949 1.00 0.00 N ATOM 0 H LYS A 62 7.062 -3.200 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 62 8.281 -5.448 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.782 -6.498 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.809 -5.138 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.136 -3.697 -0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.522 -5.219 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.439 -4.355 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.279 -4.159 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.961 -6.847 0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.771 -6.206 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.040 -7.665 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.570 -6.085 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.880 -6.854 1.389 1.00 0.00 H new ATOM 1086 N LYS A 63 5.468 -5.285 -3.421 1.00 0.00 N ATOM 1087 CA LYS A 63 4.158 -5.911 -3.322 1.00 0.00 C ATOM 1088 C LYS A 63 3.930 -6.836 -4.529 1.00 0.00 C ATOM 1089 O LYS A 63 4.637 -7.832 -4.675 1.00 0.00 O ATOM 1090 CB LYS A 63 3.059 -4.844 -3.197 1.00 0.00 C ATOM 1091 CG LYS A 63 1.829 -5.312 -2.426 1.00 0.00 C ATOM 1092 CD LYS A 63 2.163 -5.693 -0.988 1.00 0.00 C ATOM 1093 CE LYS A 63 0.934 -6.193 -0.234 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.266 -6.646 1.147 1.00 0.00 N ATOM 0 H LYS A 63 5.516 -4.483 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 63 4.115 -6.522 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.473 -3.966 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.753 -4.533 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.079 -4.521 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.388 -6.169 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.930 -6.467 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.580 -4.829 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.191 -5.397 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.482 -7.017 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.424 -7.070 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.028 -7.352 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.578 -5.832 1.714 1.00 0.00 H new ATOM 1108 N ASP A 64 2.967 -6.502 -5.394 1.00 0.00 N ATOM 1109 CA ASP A 64 2.669 -7.310 -6.595 1.00 0.00 C ATOM 1110 C ASP A 64 1.909 -6.512 -7.628 1.00 0.00 C ATOM 1111 O ASP A 64 1.438 -5.407 -7.358 1.00 0.00 O ATOM 1112 CB ASP A 64 1.842 -8.558 -6.251 1.00 0.00 C ATOM 1113 CG ASP A 64 2.665 -9.713 -5.721 1.00 0.00 C ATOM 1114 OD1 ASP A 64 3.580 -10.176 -6.433 1.00 0.00 O ATOM 1115 OD2 ASP A 64 2.380 -10.178 -4.595 1.00 0.00 O ATOM 0 H ASP A 64 2.376 -5.677 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 64 3.635 -7.612 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.090 -8.290 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.308 -8.885 -7.143 1.00 0.00 H new ATOM 1120 N ASN A 65 1.804 -7.100 -8.811 1.00 0.00 N ATOM 1121 CA ASN A 65 1.112 -6.495 -9.942 1.00 0.00 C ATOM 1122 C ASN A 65 -0.321 -6.165 -9.578 1.00 0.00 C ATOM 1123 O ASN A 65 -0.806 -5.080 -9.882 1.00 0.00 O ATOM 1124 CB ASN A 65 1.137 -7.454 -11.132 1.00 0.00 C ATOM 1125 CG ASN A 65 0.850 -6.769 -12.450 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.201 -6.166 -12.644 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.793 -6.855 -13.363 1.00 0.00 N ATOM 0 H ASN A 65 2.200 -8.018 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 65 1.622 -5.570 -10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.114 -7.934 -11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.402 -8.243 -10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.665 -6.411 -14.272 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.653 -7.366 -13.162 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.989 -7.106 -8.930 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.374 -6.914 -8.530 1.00 0.00 C ATOM 1136 C ASP A 66 -2.525 -5.669 -7.649 1.00 0.00 C ATOM 1137 O ASP A 66 -3.391 -4.828 -7.894 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.901 -8.151 -7.788 1.00 0.00 C ATOM 1139 CG ASP A 66 -4.417 -8.200 -7.743 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -5.065 -7.423 -8.471 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.970 -9.035 -6.994 1.00 0.00 O ATOM 0 H ASP A 66 -0.595 -8.010 -8.670 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.964 -6.769 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.526 -9.051 -8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.510 -8.154 -6.770 1.00 0.00 H new ATOM 1146 N SER A 67 -1.673 -5.538 -6.630 1.00 0.00 N ATOM 1147 CA SER A 67 -1.736 -4.376 -5.739 1.00 0.00 C ATOM 1148 C SER A 67 -1.288 -3.133 -6.464 1.00 0.00 C ATOM 1149 O SER A 67 -1.718 -2.031 -6.157 1.00 0.00 O ATOM 1150 CB SER A 67 -0.839 -4.555 -4.534 1.00 0.00 C ATOM 1151 OG SER A 67 -0.724 -5.925 -4.177 1.00 0.00 O ATOM 0 H SER A 67 -0.941 -6.211 -6.403 1.00 0.00 H new ATOM 0 HA SER A 67 -2.772 -4.280 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.149 -4.149 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.239 -3.990 -3.692 1.00 0.00 H new ATOM 0 HG SER A 67 -0.754 -6.012 -3.201 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.402 -3.320 -7.411 1.00 0.00 N ATOM 1158 CA TYR A 68 0.129 -2.221 -8.178 1.00 0.00 C ATOM 1159 C TYR A 68 -0.954 -1.618 -9.059 1.00 0.00 C ATOM 1160 O TYR A 68 -1.078 -0.398 -9.141 1.00 0.00 O ATOM 1161 CB TYR A 68 1.312 -2.713 -8.993 1.00 0.00 C ATOM 1162 CG TYR A 68 1.833 -1.723 -9.999 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.224 -0.443 -9.622 1.00 0.00 C ATOM 1164 CD2 TYR A 68 1.940 -2.079 -11.329 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.703 0.453 -10.555 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.413 -1.193 -12.255 1.00 0.00 C ATOM 1167 CZ TYR A 68 2.795 0.066 -11.869 1.00 0.00 C ATOM 1168 OH TYR A 68 3.272 0.937 -12.809 1.00 0.00 O ATOM 0 H TYR A 68 -0.030 -4.234 -7.671 1.00 0.00 H new ATOM 0 HA TYR A 68 0.474 -1.432 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.120 -2.979 -8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.023 -3.625 -9.516 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.152 -0.147 -8.586 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.646 -3.070 -11.641 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.002 1.447 -10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.486 -1.485 -13.292 1.00 0.00 H new ATOM 0 HH TYR A 68 4.155 1.263 -12.535 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.763 -2.469 -9.683 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.854 -1.981 -10.509 1.00 0.00 C ATOM 1180 C VAL A 69 -3.899 -1.333 -9.598 1.00 0.00 C ATOM 1181 O VAL A 69 -4.561 -0.371 -9.979 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.495 -3.090 -11.379 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.475 -2.476 -12.367 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.422 -3.868 -12.126 1.00 0.00 C ATOM 0 H VAL A 69 -1.683 -3.485 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.451 -1.249 -11.210 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.032 -3.778 -10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.921 -3.264 -12.974 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.259 -1.950 -11.822 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.948 -1.774 -13.013 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.890 -4.643 -12.732 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.864 -3.190 -12.772 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.742 -4.329 -11.410 1.00 0.00 H new ATOM 1194 N SER A 70 -3.989 -1.833 -8.362 1.00 0.00 N ATOM 1195 CA SER A 70 -4.897 -1.261 -7.367 1.00 0.00 C ATOM 1196 C SER A 70 -4.353 0.109 -6.977 1.00 0.00 C ATOM 1197 O SER A 70 -5.080 1.102 -6.999 1.00 0.00 O ATOM 1198 CB SER A 70 -5.029 -2.170 -6.137 1.00 0.00 C ATOM 1199 OG SER A 70 -5.934 -1.627 -5.183 1.00 0.00 O ATOM 0 H SER A 70 -3.446 -2.629 -8.029 1.00 0.00 H new ATOM 0 HA SER A 70 -5.897 -1.166 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.374 -3.156 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.050 -2.305 -5.676 1.00 0.00 H new ATOM 0 HG SER A 70 -6.723 -2.204 -5.115 1.00 0.00 H new ATOM 1205 N PHE A 71 -3.053 0.178 -6.663 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.424 1.464 -6.340 1.00 0.00 C ATOM 1207 C PHE A 71 -2.624 2.433 -7.520 1.00 0.00 C ATOM 1208 O PHE A 71 -2.917 3.614 -7.327 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.932 1.265 -6.024 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.080 2.503 -6.178 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.281 3.618 -5.372 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.935 2.541 -7.122 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.516 4.742 -5.509 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.734 3.661 -7.258 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.523 4.763 -6.452 1.00 0.00 C ATOM 0 H PHE A 71 -2.426 -0.626 -6.626 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.892 1.892 -5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.837 0.901 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.538 0.486 -6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.067 3.607 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.103 1.685 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.349 5.602 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.524 3.674 -7.995 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.145 5.639 -6.560 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.511 1.893 -8.739 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.732 2.660 -9.969 1.00 0.00 C ATOM 1227 C TYR A 72 -4.146 3.244 -9.952 1.00 0.00 C ATOM 1228 O TYR A 72 -4.359 4.430 -10.206 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.573 1.723 -11.174 1.00 0.00 C ATOM 1230 CG TYR A 72 -3.068 2.281 -12.492 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.366 3.265 -13.173 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.242 1.802 -13.060 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.821 3.761 -14.382 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.706 2.291 -14.270 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.991 3.275 -14.927 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.435 3.775 -16.138 1.00 0.00 O ATOM 0 H TYR A 72 -2.265 0.916 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.008 3.472 -10.039 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.519 1.467 -11.279 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.107 0.796 -10.966 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.449 3.650 -12.752 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.803 1.034 -12.549 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.261 4.527 -14.898 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.620 1.906 -14.697 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.272 3.331 -16.388 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.093 2.372 -9.632 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.510 2.712 -9.537 1.00 0.00 C ATOM 1248 C ASN A 73 -6.718 3.849 -8.534 1.00 0.00 C ATOM 1249 O ASN A 73 -7.464 4.796 -8.788 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.289 1.468 -9.094 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.791 1.656 -9.043 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.306 2.644 -8.517 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.505 0.682 -9.566 1.00 0.00 N ATOM 0 H ASN A 73 -4.897 1.392 -9.427 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.871 3.045 -10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.060 0.649 -9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.939 1.167 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.524 0.728 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.040 -0.119 -9.992 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.041 3.751 -7.397 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.131 4.769 -6.358 1.00 0.00 C ATOM 1262 C ALA A 74 -5.597 6.111 -6.859 1.00 0.00 C ATOM 1263 O ALA A 74 -6.120 7.162 -6.503 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.390 4.305 -5.119 1.00 0.00 C ATOM 0 H ALA A 74 -5.421 2.973 -7.170 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.179 4.917 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.460 5.070 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.834 3.379 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.342 4.133 -5.365 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.580 6.074 -7.718 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.029 7.298 -8.288 1.00 0.00 C ATOM 1272 C LEU A 75 -5.099 7.996 -9.126 1.00 0.00 C ATOM 1273 O LEU A 75 -5.207 9.220 -9.126 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.804 6.985 -9.157 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.578 6.470 -8.399 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.504 5.997 -9.367 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.024 7.558 -7.488 1.00 0.00 C ATOM 0 H LEU A 75 -4.125 5.217 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.716 7.955 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.088 6.242 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.523 7.888 -9.698 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.886 5.622 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.358 5.635 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.900 5.190 -9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.199 6.826 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.152 7.178 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.735 8.422 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.788 7.854 -6.769 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.912 7.201 -9.814 1.00 0.00 N ATOM 1290 CA LEU A 76 -6.989 7.743 -10.630 1.00 0.00 C ATOM 1291 C LEU A 76 -8.146 8.220 -9.751 1.00 0.00 C ATOM 1292 O LEU A 76 -9.052 8.910 -10.219 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.497 6.696 -11.617 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.763 6.642 -12.958 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.327 6.197 -12.776 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.484 5.719 -13.917 1.00 0.00 C ATOM 0 H LEU A 76 -5.845 6.183 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.591 8.592 -11.186 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.429 5.715 -11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.553 6.885 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.754 7.647 -13.379 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.830 6.168 -13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.808 6.899 -12.123 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.308 5.203 -12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.949 5.691 -14.867 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.525 4.715 -13.494 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.497 6.085 -14.082 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.099 7.851 -8.473 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.122 8.235 -7.521 1.00 0.00 C ATOM 1310 C HIS A 77 -8.813 9.598 -6.913 1.00 0.00 C ATOM 1311 O HIS A 77 -9.724 10.346 -6.565 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.269 7.178 -6.421 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.539 6.405 -6.548 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.777 7.007 -6.642 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.766 5.074 -6.596 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.707 6.077 -6.741 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -12.122 4.894 -6.719 1.00 0.00 N ATOM 0 H HIS A 77 -7.352 7.281 -8.076 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.069 8.305 -8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.423 6.492 -6.463 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.237 7.664 -5.446 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.019 4.295 -6.547 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.769 6.254 -6.826 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.598 3.994 -6.783 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.531 9.913 -6.778 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.122 11.186 -6.197 1.00 0.00 C ATOM 1328 C GLU A 78 -6.532 12.135 -7.243 1.00 0.00 C ATOM 1329 O GLU A 78 -5.605 12.896 -6.958 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.127 10.946 -5.062 1.00 0.00 C ATOM 1331 CG GLU A 78 -6.782 10.659 -3.721 1.00 0.00 C ATOM 1332 CD GLU A 78 -7.757 9.496 -3.757 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -7.327 8.360 -4.035 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -8.961 9.722 -3.506 1.00 0.00 O ATOM 0 H GLU A 78 -6.760 9.308 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.013 11.670 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.483 10.108 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.486 11.822 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.006 10.449 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.308 11.553 -3.384 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.124 12.116 -8.430 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.719 12.997 -9.519 1.00 0.00 C ATOM 1343 C GLY A 79 -5.251 12.916 -9.925 1.00 0.00 C ATOM 1344 O GLY A 79 -4.698 13.900 -10.409 1.00 0.00 O ATOM 0 H GLY A 79 -7.896 11.492 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.331 12.770 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.941 14.025 -9.232 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.619 11.766 -9.746 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.217 11.611 -10.124 1.00 0.00 C ATOM 1350 C TYR A 80 -3.116 10.730 -11.363 1.00 0.00 C ATOM 1351 O TYR A 80 -2.497 9.665 -11.354 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.410 11.034 -8.957 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.408 11.931 -7.734 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -2.528 13.308 -7.858 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -2.290 11.397 -6.460 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.540 14.126 -6.750 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.297 12.212 -5.343 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.420 13.574 -5.497 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.448 14.389 -4.393 1.00 0.00 O ATOM 0 H TYR A 80 -5.047 10.932 -9.345 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.795 12.587 -10.363 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.820 10.061 -8.686 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.382 10.868 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.614 13.746 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.191 10.328 -6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.643 15.195 -6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.207 11.783 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.198 14.134 -3.817 1.00 0.00 H new ATOM 1369 N LYS A 81 -3.762 11.200 -12.423 1.00 0.00 N ATOM 1370 CA LYS A 81 -3.809 10.492 -13.693 1.00 0.00 C ATOM 1371 C LYS A 81 -2.483 10.569 -14.446 1.00 0.00 C ATOM 1372 O LYS A 81 -2.147 9.650 -15.178 1.00 0.00 O ATOM 1373 CB LYS A 81 -4.934 11.069 -14.557 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.318 10.934 -13.943 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.331 11.813 -14.664 1.00 0.00 C ATOM 1376 CE LYS A 81 -8.723 11.661 -14.075 1.00 0.00 C ATOM 1377 NZ LYS A 81 -9.358 10.375 -14.458 1.00 0.00 N ATOM 0 H LYS A 81 -4.269 12.085 -12.425 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.000 9.440 -13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.731 12.124 -14.742 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.927 10.569 -15.525 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.639 9.893 -13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.279 11.209 -12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.020 12.856 -14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.352 11.552 -15.722 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.665 11.726 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.350 12.487 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.306 10.316 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.439 10.323 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.775 9.585 -14.116 1.00 0.00 H new ATOM 1391 N ASP A 82 -1.739 11.659 -14.275 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.454 11.828 -14.964 1.00 0.00 C ATOM 1393 C ASP A 82 0.578 10.829 -14.469 1.00 0.00 C ATOM 1394 O ASP A 82 1.206 10.135 -15.268 1.00 0.00 O ATOM 1395 CB ASP A 82 0.086 13.250 -14.795 1.00 0.00 C ATOM 1396 CG ASP A 82 -0.714 14.278 -15.562 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -0.921 14.093 -16.776 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.126 15.285 -14.956 1.00 0.00 O ATOM 0 H ASP A 82 -1.999 12.437 -13.669 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.637 11.645 -16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.083 13.511 -13.737 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.123 13.281 -15.129 1.00 0.00 H new ATOM 1403 N LEU A 83 0.750 10.749 -13.157 1.00 0.00 N ATOM 1404 CA LEU A 83 1.702 9.819 -12.578 1.00 0.00 C ATOM 1405 C LEU A 83 1.301 8.408 -12.975 1.00 0.00 C ATOM 1406 O LEU A 83 2.114 7.626 -13.448 1.00 0.00 O ATOM 1407 CB LEU A 83 1.725 9.956 -11.054 1.00 0.00 C ATOM 1408 CG LEU A 83 3.106 9.889 -10.389 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.786 8.549 -10.612 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.993 11.012 -10.894 1.00 0.00 C ATOM 0 H LEU A 83 0.243 11.316 -12.477 1.00 0.00 H new ATOM 0 HA LEU A 83 2.703 10.038 -12.949 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.263 10.907 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.102 9.169 -10.630 1.00 0.00 H new ATOM 0 HG LEU A 83 2.951 10.005 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.760 8.549 -10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.170 7.754 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.917 8.381 -11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.969 10.950 -10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.115 10.922 -11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.533 11.972 -10.660 1.00 0.00 H new ATOM 1422 N ALA A 84 0.025 8.109 -12.803 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.510 6.803 -13.162 1.00 0.00 C ATOM 1424 C ALA A 84 -0.332 6.521 -14.653 1.00 0.00 C ATOM 1425 O ALA A 84 -0.089 5.385 -15.045 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.971 6.723 -12.778 1.00 0.00 C ATOM 0 H ALA A 84 -0.664 8.754 -12.416 1.00 0.00 H new ATOM 0 HA ALA A 84 0.046 6.043 -12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.365 5.744 -13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.073 6.870 -11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.529 7.497 -13.305 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.428 7.560 -15.480 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.246 7.408 -16.922 1.00 0.00 C ATOM 1434 C ALA A 85 1.191 7.008 -17.216 1.00 0.00 C ATOM 1435 O ALA A 85 1.449 6.182 -18.089 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.611 8.690 -17.658 1.00 0.00 C ATOM 0 H ALA A 85 -0.630 8.513 -15.178 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.914 6.623 -17.278 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.466 8.548 -18.729 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.654 8.937 -17.462 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.026 9.503 -17.310 1.00 0.00 H new ATOM 1442 N LEU A 86 2.124 7.571 -16.445 1.00 0.00 N ATOM 1443 CA LEU A 86 3.543 7.244 -16.586 1.00 0.00 C ATOM 1444 C LEU A 86 3.774 5.760 -16.292 1.00 0.00 C ATOM 1445 O LEU A 86 4.763 5.171 -16.724 1.00 0.00 O ATOM 1446 CB LEU A 86 4.388 8.089 -15.626 1.00 0.00 C ATOM 1447 CG LEU A 86 4.421 9.583 -15.940 1.00 0.00 C ATOM 1448 CD1 LEU A 86 5.046 10.353 -14.792 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.186 9.834 -17.227 1.00 0.00 C ATOM 0 H LEU A 86 1.921 8.256 -15.717 1.00 0.00 H new ATOM 0 HA LEU A 86 3.843 7.462 -17.611 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.006 7.954 -14.614 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.409 7.709 -15.634 1.00 0.00 H new ATOM 0 HG LEU A 86 3.397 9.933 -16.071 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.062 11.416 -15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.461 10.194 -13.886 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.066 10.003 -14.631 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.201 10.903 -17.438 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.208 9.471 -17.120 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.699 9.309 -18.048 1.00 0.00 H new ATOM 1461 N LEU A 87 2.852 5.175 -15.528 1.00 0.00 N ATOM 1462 CA LEU A 87 2.933 3.770 -15.128 1.00 0.00 C ATOM 1463 C LEU A 87 2.031 2.868 -15.968 1.00 0.00 C ATOM 1464 O LEU A 87 2.159 1.645 -15.920 1.00 0.00 O ATOM 1465 CB LEU A 87 2.491 3.615 -13.680 1.00 0.00 C ATOM 1466 CG LEU A 87 3.474 4.025 -12.585 1.00 0.00 C ATOM 1467 CD1 LEU A 87 3.963 5.453 -12.764 1.00 0.00 C ATOM 1468 CD2 LEU A 87 2.805 3.870 -11.231 1.00 0.00 C ATOM 0 H LEU A 87 2.030 5.660 -15.169 1.00 0.00 H new ATOM 0 HA LEU A 87 3.972 3.473 -15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.579 4.196 -13.545 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.230 2.569 -13.520 1.00 0.00 H new ATOM 0 HG LEU A 87 4.346 3.374 -12.650 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.660 5.702 -11.963 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.467 5.547 -13.726 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.114 6.135 -12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.502 4.161 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.922 4.507 -11.187 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.510 2.830 -11.088 1.00 0.00 H new ATOM 1480 N HIS A 88 1.096 3.474 -16.696 1.00 0.00 N ATOM 1481 CA HIS A 88 0.136 2.731 -17.517 1.00 0.00 C ATOM 1482 C HIS A 88 0.841 1.822 -18.508 1.00 0.00 C ATOM 1483 O HIS A 88 0.340 0.746 -18.842 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.790 3.694 -18.245 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.877 3.008 -19.025 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -1.750 2.661 -20.350 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -3.099 2.567 -18.639 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -2.852 2.052 -20.753 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.688 1.984 -19.734 1.00 0.00 N ATOM 0 H HIS A 88 0.980 4.487 -16.735 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.458 2.102 -16.854 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.245 4.367 -17.518 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.200 4.310 -18.924 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.530 2.657 -17.653 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.037 1.674 -21.748 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.619 1.567 -19.756 1.00 0.00 H new ATOM 1498 N ASP A 89 2.008 2.247 -18.953 1.00 0.00 N ATOM 1499 CA ASP A 89 2.805 1.459 -19.892 1.00 0.00 C ATOM 1500 C ASP A 89 3.203 0.127 -19.253 1.00 0.00 C ATOM 1501 O ASP A 89 3.441 -0.862 -19.946 1.00 0.00 O ATOM 1502 CB ASP A 89 4.055 2.227 -20.321 1.00 0.00 C ATOM 1503 CG ASP A 89 3.725 3.462 -21.135 1.00 0.00 C ATOM 1504 OD1 ASP A 89 3.113 4.401 -20.584 1.00 0.00 O ATOM 1505 OD2 ASP A 89 4.077 3.500 -22.335 1.00 0.00 O ATOM 0 H ASP A 89 2.431 3.135 -18.683 1.00 0.00 H new ATOM 0 HA ASP A 89 2.200 1.265 -20.777 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.620 2.519 -19.436 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.698 1.570 -20.907 1.00 0.00 H new ATOM 1510 N GLY A 90 3.247 0.113 -17.921 1.00 0.00 N ATOM 1511 CA GLY A 90 3.587 -1.087 -17.181 1.00 0.00 C ATOM 1512 C GLY A 90 2.351 -1.845 -16.727 1.00 0.00 C ATOM 1513 O GLY A 90 2.412 -3.039 -16.443 1.00 0.00 O ATOM 0 H GLY A 90 3.050 0.926 -17.337 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.201 -1.736 -17.805 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.188 -0.819 -16.312 1.00 0.00 H new ATOM 1517 N ILE A 91 1.225 -1.141 -16.663 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.041 -1.738 -16.252 1.00 0.00 C ATOM 1519 C ILE A 91 -0.601 -2.618 -17.371 1.00 0.00 C ATOM 1520 O ILE A 91 -0.835 -2.138 -18.483 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.079 -0.646 -15.897 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.559 0.246 -14.765 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.411 -1.270 -15.510 1.00 0.00 C ATOM 1524 CD1 ILE A 91 -0.437 -0.452 -13.430 1.00 0.00 C ATOM 0 H ILE A 91 1.164 -0.149 -16.892 1.00 0.00 H new ATOM 0 HA ILE A 91 0.149 -2.346 -15.368 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.234 -0.028 -16.781 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.418 0.639 -15.047 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.227 1.101 -14.655 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.124 -0.483 -15.265 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.793 -1.859 -16.344 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.272 -1.916 -14.643 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.062 0.250 -12.685 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.415 -0.821 -13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.255 -1.290 -13.519 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.827 -3.914 -17.096 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.359 -4.852 -18.079 1.00 0.00 C ATOM 1538 C PRO A 92 -2.890 -4.860 -18.113 1.00 0.00 C ATOM 1539 O PRO A 92 -3.512 -5.837 -18.524 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.821 -6.192 -17.580 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.750 -6.048 -16.095 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.579 -4.574 -15.800 1.00 0.00 C ATOM 0 HA PRO A 92 -1.064 -4.602 -19.098 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.478 -7.013 -17.866 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.160 -6.406 -18.004 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.656 -6.432 -15.627 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.085 -6.621 -15.692 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.283 -4.236 -15.040 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.422 -4.356 -15.427 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.497 -3.764 -17.676 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.949 -3.654 -17.662 1.00 0.00 C ATOM 1552 C VAL A 93 -5.386 -2.330 -18.274 1.00 0.00 C ATOM 1553 O VAL A 93 -5.333 -1.285 -17.622 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.519 -3.761 -16.225 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -7.038 -3.629 -16.229 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.108 -5.074 -15.574 1.00 0.00 C ATOM 0 H VAL A 93 -3.007 -2.940 -17.327 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.340 -4.483 -18.252 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.103 -2.940 -15.642 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.413 -3.708 -15.208 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.318 -2.661 -16.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.471 -4.424 -16.837 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.520 -5.125 -14.566 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.488 -5.908 -16.164 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.021 -5.131 -15.524 1.00 0.00 H new ATOM 1566 N VAL A 94 -5.824 -2.377 -19.524 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.279 -1.177 -20.211 1.00 0.00 C ATOM 1568 C VAL A 94 -7.743 -0.892 -19.878 1.00 0.00 C ATOM 1569 O VAL A 94 -8.631 -1.012 -20.725 1.00 0.00 O ATOM 1570 CB VAL A 94 -6.095 -1.276 -21.746 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -4.655 -0.969 -22.128 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -6.499 -2.651 -22.260 1.00 0.00 C ATOM 0 H VAL A 94 -5.874 -3.230 -20.081 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.660 -0.352 -19.857 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.747 -0.537 -22.212 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.542 -1.043 -23.210 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.400 0.040 -21.804 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.990 -1.684 -21.644 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.359 -2.691 -23.340 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.881 -3.413 -21.786 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.547 -2.835 -22.023 1.00 0.00 H new ATOM 1582 N SER A 95 -7.982 -0.521 -18.626 1.00 0.00 N ATOM 1583 CA SER A 95 -9.326 -0.217 -18.150 1.00 0.00 C ATOM 1584 C SER A 95 -9.856 1.048 -18.811 1.00 0.00 C ATOM 1585 O SER A 95 -9.298 2.136 -18.644 1.00 0.00 O ATOM 1586 CB SER A 95 -9.319 -0.056 -16.626 1.00 0.00 C ATOM 1587 OG SER A 95 -10.632 0.128 -16.107 1.00 0.00 O ATOM 0 H SER A 95 -7.256 -0.423 -17.917 1.00 0.00 H new ATOM 0 HA SER A 95 -9.984 -1.044 -18.416 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.868 -0.937 -16.170 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.698 0.797 -16.354 1.00 0.00 H new ATOM 0 HG SER A 95 -10.588 0.225 -15.133 1.00 0.00 H new ATOM 1593 N SER A 96 -10.929 0.892 -19.567 1.00 0.00 N ATOM 1594 CA SER A 96 -11.546 2.008 -20.262 1.00 0.00 C ATOM 1595 C SER A 96 -12.743 2.534 -19.471 1.00 0.00 C ATOM 1596 O SER A 96 -13.099 1.985 -18.428 1.00 0.00 O ATOM 1597 CB SER A 96 -11.982 1.567 -21.663 1.00 0.00 C ATOM 1598 OG SER A 96 -10.874 1.099 -22.421 1.00 0.00 O ATOM 0 H SER A 96 -11.394 -0.004 -19.716 1.00 0.00 H new ATOM 0 HA SER A 96 -10.818 2.814 -20.355 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.730 0.779 -21.583 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.453 2.403 -22.180 1.00 0.00 H new ATOM 0 HG SER A 96 -11.179 0.822 -23.310 1.00 0.00 H new ATOM 1604 N SER A 97 -13.359 3.588 -19.972 1.00 0.00 N ATOM 1605 CA SER A 97 -14.513 4.179 -19.313 1.00 0.00 C ATOM 1606 C SER A 97 -15.445 4.780 -20.356 1.00 0.00 C ATOM 1607 O SER A 97 -14.963 5.581 -21.182 1.00 0.00 O ATOM 1608 CB SER A 97 -14.073 5.251 -18.314 1.00 0.00 C ATOM 1609 OG SER A 97 -15.167 5.728 -17.540 1.00 0.00 O ATOM 1610 OXT SER A 97 -16.643 4.433 -20.362 1.00 0.00 O ATOM 0 H SER A 97 -13.080 4.055 -20.835 1.00 0.00 H new ATOM 0 HA SER A 97 -15.043 3.400 -18.765 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.310 4.841 -17.652 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.616 6.083 -18.850 1.00 0.00 H new ATOM 0 HG SER A 97 -14.850 6.410 -16.911 1.00 0.00 H new TER 1616 SER A 97