USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 103:sc= 0.0999 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0415) USER MOD Single : A 16 THR OG1 : rot 52:sc= 0.424 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -2.97! C(o=-3!,f=-5.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 77:sc= 0.938 USER MOD Single : A 33 GLN : amide:sc= -1.95 K(o=-1.9,f=-8.9!) USER MOD Single : A 34 SER OG : rot 86:sc= 1.25 USER MOD Single : A 35 GLN : amide:sc= -0.789 K(o=-0.79,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.04 K(o=1,f=-0.12) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.108 (180deg=-0.482) USER MOD Single : A 45 SER OG : rot 180:sc= 0.116 USER MOD Single : A 48 GLN : amide:sc= -4.1! C(o=-4.1!,f=-1.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 110:sc= -3.17! USER MOD Single : A 60 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.9) USER MOD Single : A 66 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 68 GLN : amide:sc= -0.0385 X(o=-0.039,f=-0.21) USER MOD Single : A 71 SER OG : rot 83:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.863 -10.789 -0.211 1.00 0.00 N ATOM 78 CA LYS A 6 -6.429 -10.590 -0.229 1.00 0.00 C ATOM 79 C LYS A 6 -6.110 -9.382 -1.065 1.00 0.00 C ATOM 80 O LYS A 6 -6.626 -9.246 -2.184 1.00 0.00 O ATOM 81 CB LYS A 6 -5.750 -11.811 -0.849 1.00 0.00 C ATOM 82 CG LYS A 6 -6.112 -13.134 -0.185 1.00 0.00 C ATOM 83 CD LYS A 6 -5.471 -14.327 -0.892 1.00 0.00 C ATOM 84 CE LYS A 6 -5.914 -14.449 -2.350 1.00 0.00 C ATOM 85 NZ LYS A 6 -7.368 -14.658 -2.493 1.00 0.00 N ATOM 0 HA LYS A 6 -6.070 -10.447 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.016 -11.863 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.670 -11.676 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.792 -13.116 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.195 -13.254 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.386 -14.229 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.728 -15.242 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.627 -13.546 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.385 -15.280 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.599 -14.818 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.656 -15.487 -1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.875 -13.817 -2.151 1.00 0.00 H new ATOM 99 N LEU A 7 -5.286 -8.518 -0.558 1.00 0.00 N ATOM 100 CA LEU A 7 -4.921 -7.338 -1.282 1.00 0.00 C ATOM 101 C LEU A 7 -3.516 -7.494 -1.802 1.00 0.00 C ATOM 102 O LEU A 7 -2.628 -7.984 -1.096 1.00 0.00 O ATOM 103 CB LEU A 7 -5.044 -6.089 -0.409 1.00 0.00 C ATOM 104 CG LEU A 7 -6.423 -5.825 0.200 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.435 -4.502 0.937 1.00 0.00 C ATOM 106 CD2 LEU A 7 -7.505 -5.858 -0.859 1.00 0.00 C ATOM 0 H LEU A 7 -4.851 -8.608 0.360 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.606 -7.211 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.320 -6.165 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.762 -5.223 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.632 -6.621 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.424 -4.332 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.694 -4.524 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.196 -3.697 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.473 -5.667 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.304 -5.093 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.518 -6.838 -1.336 1.00 0.00 H new ATOM 118 N VAL A 8 -3.307 -7.108 -3.020 1.00 0.00 N ATOM 119 CA VAL A 8 -2.022 -7.272 -3.633 1.00 0.00 C ATOM 120 C VAL A 8 -1.368 -5.918 -3.847 1.00 0.00 C ATOM 121 O VAL A 8 -1.846 -5.093 -4.640 1.00 0.00 O ATOM 122 CB VAL A 8 -2.115 -8.047 -4.971 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.736 -8.286 -5.549 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.833 -9.371 -4.772 1.00 0.00 C ATOM 0 H VAL A 8 -4.012 -6.674 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.406 -7.864 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.686 -7.440 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.825 -8.832 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.247 -7.329 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.143 -8.870 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.889 -9.901 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.285 -9.977 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.841 -9.186 -4.400 1.00 0.00 H new ATOM 134 N LEU A 9 -0.301 -5.702 -3.127 1.00 0.00 N ATOM 135 CA LEU A 9 0.461 -4.483 -3.192 1.00 0.00 C ATOM 136 C LEU A 9 1.595 -4.692 -4.186 1.00 0.00 C ATOM 137 O LEU A 9 2.347 -5.651 -4.067 1.00 0.00 O ATOM 138 CB LEU A 9 1.036 -4.177 -1.800 1.00 0.00 C ATOM 139 CG LEU A 9 1.760 -2.841 -1.628 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.783 -1.683 -1.758 1.00 0.00 C ATOM 141 CD2 LEU A 9 2.478 -2.793 -0.287 1.00 0.00 C ATOM 0 H LEU A 9 0.071 -6.382 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.165 -3.649 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.219 -4.215 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.730 -4.975 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 9 2.505 -2.748 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.317 -0.741 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.318 -1.708 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.013 -1.769 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.988 -1.835 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.753 -2.909 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.208 -3.600 -0.236 1.00 0.00 H new ATOM 153 N ASP A 10 1.689 -3.843 -5.165 1.00 0.00 N ATOM 154 CA ASP A 10 2.722 -3.954 -6.180 1.00 0.00 C ATOM 155 C ASP A 10 3.951 -3.197 -5.719 1.00 0.00 C ATOM 156 O ASP A 10 3.957 -1.961 -5.668 1.00 0.00 O ATOM 157 CB ASP A 10 2.229 -3.392 -7.510 1.00 0.00 C ATOM 158 CG ASP A 10 3.122 -3.741 -8.683 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.302 -3.398 -8.684 1.00 0.00 O ATOM 160 OD2 ASP A 10 2.616 -4.346 -9.665 1.00 0.00 O ATOM 0 H ASP A 10 1.059 -3.051 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 10 2.971 -5.005 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.225 -3.768 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.154 -2.307 -7.431 1.00 0.00 H new ATOM 165 N LEU A 11 4.977 -3.931 -5.399 1.00 0.00 N ATOM 166 CA LEU A 11 6.194 -3.382 -4.836 1.00 0.00 C ATOM 167 C LEU A 11 6.989 -2.642 -5.897 1.00 0.00 C ATOM 168 O LEU A 11 7.600 -1.592 -5.627 1.00 0.00 O ATOM 169 CB LEU A 11 7.027 -4.510 -4.249 1.00 0.00 C ATOM 170 CG LEU A 11 6.356 -5.340 -3.158 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.225 -6.523 -2.801 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.080 -4.489 -1.924 1.00 0.00 C ATOM 0 H LEU A 11 5.000 -4.943 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 11 5.934 -2.672 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.319 -5.179 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.944 -4.084 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 11 5.402 -5.705 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.739 -7.110 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.374 -7.145 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.191 -6.169 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.602 -5.101 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.019 -4.094 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.422 -3.663 -2.192 1.00 0.00 H new ATOM 184 N GLU A 12 6.934 -3.153 -7.105 1.00 0.00 N ATOM 185 CA GLU A 12 7.650 -2.568 -8.215 1.00 0.00 C ATOM 186 C GLU A 12 7.062 -1.231 -8.592 1.00 0.00 C ATOM 187 O GLU A 12 7.795 -0.264 -8.803 1.00 0.00 O ATOM 188 CB GLU A 12 7.672 -3.504 -9.414 1.00 0.00 C ATOM 189 CG GLU A 12 8.508 -4.745 -9.203 1.00 0.00 C ATOM 190 CD GLU A 12 9.948 -4.421 -8.867 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.690 -3.924 -9.750 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.380 -4.674 -7.730 1.00 0.00 O ATOM 0 H GLU A 12 6.393 -3.984 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 12 8.680 -2.410 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.650 -3.801 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.054 -2.962 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.075 -5.339 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.477 -5.358 -10.104 1.00 0.00 H new ATOM 199 N ARG A 13 5.746 -1.158 -8.648 1.00 0.00 N ATOM 200 CA ARG A 13 5.082 0.085 -8.969 1.00 0.00 C ATOM 201 C ARG A 13 5.263 1.090 -7.838 1.00 0.00 C ATOM 202 O ARG A 13 5.350 2.286 -8.078 1.00 0.00 O ATOM 203 CB ARG A 13 3.599 -0.120 -9.285 1.00 0.00 C ATOM 204 CG ARG A 13 2.890 1.155 -9.741 1.00 0.00 C ATOM 205 CD ARG A 13 3.519 1.721 -11.008 1.00 0.00 C ATOM 206 NE ARG A 13 3.376 0.815 -12.145 1.00 0.00 N ATOM 207 CZ ARG A 13 4.316 0.556 -13.066 1.00 0.00 C ATOM 208 NH1 ARG A 13 5.594 0.941 -12.876 1.00 0.00 N ATOM 209 NH2 ARG A 13 3.989 -0.152 -14.143 1.00 0.00 N ATOM 0 H ARG A 13 5.119 -1.944 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 13 5.547 0.483 -9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.503 -0.878 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.097 -0.508 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.836 0.942 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.934 1.901 -8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.054 2.678 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.577 1.916 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 13 2.481 0.336 -12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.856 1.436 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.299 0.737 -13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.034 -0.490 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.693 -0.357 -14.852 1.00 0.00 H new ATOM 223 N LEU A 14 5.349 0.593 -6.616 1.00 0.00 N ATOM 224 CA LEU A 14 5.604 1.434 -5.451 1.00 0.00 C ATOM 225 C LEU A 14 6.970 2.116 -5.600 1.00 0.00 C ATOM 226 O LEU A 14 7.147 3.272 -5.234 1.00 0.00 O ATOM 227 CB LEU A 14 5.560 0.585 -4.171 1.00 0.00 C ATOM 228 CG LEU A 14 5.784 1.317 -2.847 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.721 2.382 -2.626 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.786 0.324 -1.699 1.00 0.00 C ATOM 0 H LEU A 14 5.245 -0.399 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 14 4.833 2.202 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.590 0.090 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.313 -0.198 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 14 6.753 1.814 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.904 2.887 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.760 3.109 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.737 1.915 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.946 0.854 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.828 -0.194 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.586 -0.402 -1.847 1.00 0.00 H new ATOM 242 N ALA A 15 7.908 1.394 -6.199 1.00 0.00 N ATOM 243 CA ALA A 15 9.248 1.903 -6.448 1.00 0.00 C ATOM 244 C ALA A 15 9.252 2.911 -7.596 1.00 0.00 C ATOM 245 O ALA A 15 10.185 3.695 -7.743 1.00 0.00 O ATOM 246 CB ALA A 15 10.210 0.754 -6.728 1.00 0.00 C ATOM 0 H ALA A 15 7.760 0.439 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 15 9.585 2.424 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.208 1.152 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.239 0.086 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.872 0.202 -7.605 1.00 0.00 H new ATOM 252 N THR A 16 8.194 2.900 -8.386 1.00 0.00 N ATOM 253 CA THR A 16 8.068 3.802 -9.506 1.00 0.00 C ATOM 254 C THR A 16 7.487 5.143 -9.029 1.00 0.00 C ATOM 255 O THR A 16 7.640 6.177 -9.684 1.00 0.00 O ATOM 256 CB THR A 16 7.115 3.201 -10.559 1.00 0.00 C ATOM 257 OG1 THR A 16 7.432 1.818 -10.772 1.00 0.00 O ATOM 258 CG2 THR A 16 7.230 3.933 -11.884 1.00 0.00 C ATOM 0 H THR A 16 7.403 2.267 -8.267 1.00 0.00 H new ATOM 0 HA THR A 16 9.054 3.956 -9.944 1.00 0.00 H new ATOM 0 HB THR A 16 6.097 3.303 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.461 1.353 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.546 3.487 -12.607 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.974 4.983 -11.743 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.252 3.855 -12.255 1.00 0.00 H new ATOM 266 N VAL A 17 6.827 5.120 -7.888 1.00 0.00 N ATOM 267 CA VAL A 17 6.194 6.304 -7.363 1.00 0.00 C ATOM 268 C VAL A 17 7.204 7.097 -6.534 1.00 0.00 C ATOM 269 O VAL A 17 7.848 6.538 -5.642 1.00 0.00 O ATOM 270 CB VAL A 17 4.929 5.961 -6.518 1.00 0.00 C ATOM 271 CG1 VAL A 17 4.260 7.224 -5.968 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.933 5.172 -7.352 1.00 0.00 C ATOM 0 H VAL A 17 6.717 4.288 -7.308 1.00 0.00 H new ATOM 0 HA VAL A 17 5.858 6.913 -8.202 1.00 0.00 H new ATOM 0 HB VAL A 17 5.254 5.354 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.382 6.946 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.964 7.761 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.957 7.865 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.056 4.940 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.632 5.764 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.396 4.245 -7.690 1.00 0.00 H new ATOM 282 N PRO A 18 7.402 8.389 -6.872 1.00 0.00 N ATOM 283 CA PRO A 18 8.333 9.266 -6.166 1.00 0.00 C ATOM 284 C PRO A 18 8.093 9.321 -4.638 1.00 0.00 C ATOM 285 O PRO A 18 6.938 9.203 -4.152 1.00 0.00 O ATOM 286 CB PRO A 18 8.134 10.639 -6.808 1.00 0.00 C ATOM 287 CG PRO A 18 7.002 10.515 -7.778 1.00 0.00 C ATOM 288 CD PRO A 18 6.761 9.062 -8.016 1.00 0.00 C ATOM 0 HA PRO A 18 9.354 8.897 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 18 7.910 11.389 -6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.043 10.961 -7.317 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.105 10.991 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.243 11.020 -8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.695 8.839 -8.061 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.195 8.737 -8.962 1.00 0.00 H new ATOM 296 N ALA A 19 9.174 9.576 -3.911 1.00 0.00 N ATOM 297 CA ALA A 19 9.237 9.490 -2.447 1.00 0.00 C ATOM 298 C ALA A 19 8.250 10.373 -1.674 1.00 0.00 C ATOM 299 O ALA A 19 7.966 10.075 -0.525 1.00 0.00 O ATOM 300 CB ALA A 19 10.650 9.742 -1.964 1.00 0.00 C ATOM 0 H ALA A 19 10.060 9.857 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 19 8.923 8.470 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.680 9.675 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.319 8.996 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.969 10.737 -2.275 1.00 0.00 H new ATOM 306 N GLU A 20 7.732 11.433 -2.281 1.00 0.00 N ATOM 307 CA GLU A 20 6.788 12.332 -1.575 1.00 0.00 C ATOM 308 C GLU A 20 5.582 11.540 -1.058 1.00 0.00 C ATOM 309 O GLU A 20 5.197 11.646 0.106 1.00 0.00 O ATOM 310 CB GLU A 20 6.244 13.472 -2.469 1.00 0.00 C ATOM 311 CG GLU A 20 7.254 14.205 -3.339 1.00 0.00 C ATOM 312 CD GLU A 20 7.643 13.403 -4.545 1.00 0.00 C ATOM 313 OE1 GLU A 20 6.831 13.315 -5.495 1.00 0.00 O ATOM 314 OE2 GLU A 20 8.734 12.808 -4.554 1.00 0.00 O ATOM 0 H GLU A 20 7.936 11.700 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 20 7.360 12.773 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.475 13.056 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.756 14.204 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.833 15.159 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.144 14.430 -2.751 1.00 0.00 H new ATOM 321 N LYS A 21 5.028 10.729 -1.928 1.00 0.00 N ATOM 322 CA LYS A 21 3.840 9.968 -1.619 1.00 0.00 C ATOM 323 C LYS A 21 4.171 8.517 -1.273 1.00 0.00 C ATOM 324 O LYS A 21 3.485 7.895 -0.468 1.00 0.00 O ATOM 325 CB LYS A 21 2.878 10.015 -2.814 1.00 0.00 C ATOM 326 CG LYS A 21 2.444 11.424 -3.202 1.00 0.00 C ATOM 327 CD LYS A 21 1.645 11.435 -4.497 1.00 0.00 C ATOM 328 CE LYS A 21 1.293 12.859 -4.909 1.00 0.00 C ATOM 329 NZ LYS A 21 0.661 12.917 -6.249 1.00 0.00 N ATOM 0 H LYS A 21 5.388 10.578 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 21 3.369 10.416 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.357 9.544 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.993 9.424 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.842 11.852 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.324 12.057 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.221 10.956 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.732 10.853 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.617 13.292 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.197 13.469 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.440 13.905 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.315 12.529 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.216 12.357 -6.244 1.00 0.00 H new ATOM 343 N ALA A 22 5.226 7.984 -1.861 1.00 0.00 N ATOM 344 CA ALA A 22 5.541 6.568 -1.673 1.00 0.00 C ATOM 345 C ALA A 22 6.597 6.318 -0.611 1.00 0.00 C ATOM 346 O ALA A 22 6.706 5.209 -0.117 1.00 0.00 O ATOM 347 CB ALA A 22 5.971 5.944 -2.980 1.00 0.00 C ATOM 0 H ALA A 22 5.873 8.493 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 22 4.623 6.099 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.202 4.890 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.165 6.034 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.857 6.457 -3.354 1.00 0.00 H new ATOM 353 N GLY A 23 7.336 7.349 -0.247 1.00 0.00 N ATOM 354 CA GLY A 23 8.465 7.227 0.692 1.00 0.00 C ATOM 355 C GLY A 23 8.138 6.502 1.997 1.00 0.00 C ATOM 356 O GLY A 23 8.686 5.424 2.252 1.00 0.00 O ATOM 0 H GLY A 23 7.181 8.298 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.278 6.699 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.831 8.226 0.930 1.00 0.00 H new ATOM 360 N PRO A 24 7.240 7.047 2.845 1.00 0.00 N ATOM 361 CA PRO A 24 6.857 6.408 4.120 1.00 0.00 C ATOM 362 C PRO A 24 6.275 4.998 3.921 1.00 0.00 C ATOM 363 O PRO A 24 6.389 4.128 4.792 1.00 0.00 O ATOM 364 CB PRO A 24 5.787 7.353 4.695 1.00 0.00 C ATOM 365 CG PRO A 24 5.351 8.195 3.543 1.00 0.00 C ATOM 366 CD PRO A 24 6.558 8.343 2.673 1.00 0.00 C ATOM 0 HA PRO A 24 7.718 6.270 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.950 6.793 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.194 7.966 5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.532 7.723 3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.991 9.166 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.288 8.524 1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.186 9.176 2.989 1.00 0.00 H new ATOM 374 N LEU A 25 5.712 4.768 2.752 1.00 0.00 N ATOM 375 CA LEU A 25 5.099 3.501 2.441 1.00 0.00 C ATOM 376 C LEU A 25 6.214 2.491 2.121 1.00 0.00 C ATOM 377 O LEU A 25 6.178 1.344 2.568 1.00 0.00 O ATOM 378 CB LEU A 25 4.099 3.695 1.277 1.00 0.00 C ATOM 379 CG LEU A 25 2.937 2.686 1.148 1.00 0.00 C ATOM 380 CD1 LEU A 25 1.974 3.141 0.079 1.00 0.00 C ATOM 381 CD2 LEU A 25 3.411 1.273 0.847 1.00 0.00 C ATOM 0 H LEU A 25 5.669 5.453 1.997 1.00 0.00 H new ATOM 0 HA LEU A 25 4.530 3.108 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.668 4.692 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.663 3.677 0.345 1.00 0.00 H new ATOM 0 HG LEU A 25 2.436 2.656 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.158 2.423 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.572 4.119 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.496 3.210 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.550 0.609 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.962 1.267 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.062 0.929 1.651 1.00 0.00 H new ATOM 393 N GLN A 26 7.225 2.959 1.390 1.00 0.00 N ATOM 394 CA GLN A 26 8.424 2.180 1.069 1.00 0.00 C ATOM 395 C GLN A 26 9.099 1.688 2.337 1.00 0.00 C ATOM 396 O GLN A 26 9.498 0.530 2.421 1.00 0.00 O ATOM 397 CB GLN A 26 9.418 3.026 0.270 1.00 0.00 C ATOM 398 CG GLN A 26 9.048 3.282 -1.178 1.00 0.00 C ATOM 399 CD GLN A 26 9.229 2.063 -2.054 1.00 0.00 C ATOM 400 OE1 GLN A 26 9.079 0.919 -1.617 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.576 2.288 -3.283 1.00 0.00 N ATOM 0 H GLN A 26 7.236 3.901 0.999 1.00 0.00 H new ATOM 0 HA GLN A 26 8.113 1.324 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.535 3.987 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.390 2.533 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.010 3.610 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.660 4.096 -1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.692 3.246 -3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.733 1.507 -3.920 1.00 0.00 H new ATOM 410 N ARG A 27 9.206 2.579 3.317 1.00 0.00 N ATOM 411 CA ARG A 27 9.788 2.259 4.629 1.00 0.00 C ATOM 412 C ARG A 27 9.041 1.116 5.306 1.00 0.00 C ATOM 413 O ARG A 27 9.655 0.172 5.836 1.00 0.00 O ATOM 414 CB ARG A 27 9.763 3.476 5.552 1.00 0.00 C ATOM 415 CG ARG A 27 10.958 4.452 5.498 1.00 0.00 C ATOM 416 CD ARG A 27 11.167 5.143 4.157 1.00 0.00 C ATOM 417 NE ARG A 27 11.761 4.273 3.136 1.00 0.00 N ATOM 418 CZ ARG A 27 12.108 4.676 1.911 1.00 0.00 C ATOM 419 NH1 ARG A 27 11.858 5.926 1.521 1.00 0.00 N ATOM 420 NH2 ARG A 27 12.685 3.820 1.074 1.00 0.00 N ATOM 0 H ARG A 27 8.893 3.546 3.231 1.00 0.00 H new ATOM 0 HA ARG A 27 10.820 1.957 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.859 4.043 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.672 3.116 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.819 5.214 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.866 3.905 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.208 5.513 3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.810 6.012 4.301 1.00 0.00 H new ATOM 0 HE ARG A 27 11.920 3.295 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.401 6.577 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.124 6.231 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.861 2.859 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.952 4.124 0.137 1.00 0.00 H new ATOM 434 N TYR A 28 7.725 1.200 5.285 1.00 0.00 N ATOM 435 CA TYR A 28 6.887 0.187 5.888 1.00 0.00 C ATOM 436 C TYR A 28 7.042 -1.129 5.133 1.00 0.00 C ATOM 437 O TYR A 28 7.275 -2.180 5.738 1.00 0.00 O ATOM 438 CB TYR A 28 5.420 0.641 5.899 1.00 0.00 C ATOM 439 CG TYR A 28 4.478 -0.320 6.594 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.468 -0.421 7.974 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.605 -1.123 5.873 1.00 0.00 C ATOM 442 CE1 TYR A 28 3.615 -1.288 8.622 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.747 -1.991 6.516 1.00 0.00 C ATOM 444 CZ TYR A 28 2.758 -2.068 7.890 1.00 0.00 C ATOM 445 OH TYR A 28 1.905 -2.928 8.535 1.00 0.00 O ATOM 0 H TYR A 28 7.211 1.968 4.852 1.00 0.00 H new ATOM 0 HA TYR A 28 7.200 0.035 6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.356 1.613 6.388 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.086 0.779 4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.142 0.192 8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.597 -1.067 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.622 -1.352 9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.070 -2.607 5.944 1.00 0.00 H new ATOM 0 HH TYR A 28 1.363 -3.408 7.874 1.00 0.00 H new ATOM 455 N ALA A 29 6.965 -1.051 3.811 1.00 0.00 N ATOM 456 CA ALA A 29 7.105 -2.214 2.945 1.00 0.00 C ATOM 457 C ALA A 29 8.459 -2.889 3.146 1.00 0.00 C ATOM 458 O ALA A 29 8.536 -4.114 3.249 1.00 0.00 O ATOM 459 CB ALA A 29 6.915 -1.819 1.487 1.00 0.00 C ATOM 0 H ALA A 29 6.803 -0.178 3.308 1.00 0.00 H new ATOM 0 HA ALA A 29 6.329 -2.931 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.023 -2.700 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.920 -1.395 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.666 -1.079 1.210 1.00 0.00 H new ATOM 465 N ALA A 30 9.512 -2.080 3.260 1.00 0.00 N ATOM 466 CA ALA A 30 10.863 -2.594 3.458 1.00 0.00 C ATOM 467 C ALA A 30 10.967 -3.311 4.787 1.00 0.00 C ATOM 468 O ALA A 30 11.612 -4.352 4.898 1.00 0.00 O ATOM 469 CB ALA A 30 11.881 -1.475 3.387 1.00 0.00 C ATOM 0 H ALA A 30 9.453 -1.063 3.218 1.00 0.00 H new ATOM 0 HA ALA A 30 11.076 -3.304 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.881 -1.882 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.828 -0.996 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.668 -0.740 4.163 1.00 0.00 H new ATOM 475 N THR A 31 10.310 -2.767 5.786 1.00 0.00 N ATOM 476 CA THR A 31 10.285 -3.369 7.089 1.00 0.00 C ATOM 477 C THR A 31 9.573 -4.730 7.048 1.00 0.00 C ATOM 478 O THR A 31 10.074 -5.709 7.601 1.00 0.00 O ATOM 479 CB THR A 31 9.646 -2.414 8.116 1.00 0.00 C ATOM 480 OG1 THR A 31 10.447 -1.207 8.178 1.00 0.00 O ATOM 481 CG2 THR A 31 9.569 -3.053 9.499 1.00 0.00 C ATOM 0 H THR A 31 9.781 -1.898 5.713 1.00 0.00 H new ATOM 0 HA THR A 31 11.311 -3.552 7.408 1.00 0.00 H new ATOM 0 HB THR A 31 8.628 -2.185 7.802 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.252 -0.644 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.113 -2.352 10.199 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.965 -3.959 9.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.573 -3.305 9.840 1.00 0.00 H new ATOM 489 N ILE A 32 8.454 -4.798 6.332 1.00 0.00 N ATOM 490 CA ILE A 32 7.714 -6.050 6.177 1.00 0.00 C ATOM 491 C ILE A 32 8.589 -7.090 5.471 1.00 0.00 C ATOM 492 O ILE A 32 8.683 -8.224 5.918 1.00 0.00 O ATOM 493 CB ILE A 32 6.372 -5.851 5.410 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.467 -4.839 6.141 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.637 -7.182 5.212 1.00 0.00 C ATOM 496 CD1 ILE A 32 5.136 -5.207 7.583 1.00 0.00 C ATOM 0 H ILE A 32 8.038 -4.001 5.849 1.00 0.00 H new ATOM 0 HA ILE A 32 7.459 -6.409 7.174 1.00 0.00 H new ATOM 0 HB ILE A 32 6.613 -5.452 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.954 -3.864 6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.536 -4.736 5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.705 -7.007 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.265 -7.863 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.417 -7.624 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.496 -4.439 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.618 -6.166 7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.058 -5.280 8.161 1.00 0.00 H new ATOM 508 N GLN A 33 9.268 -6.667 4.404 1.00 0.00 N ATOM 509 CA GLN A 33 10.213 -7.524 3.663 1.00 0.00 C ATOM 510 C GLN A 33 11.281 -8.089 4.583 1.00 0.00 C ATOM 511 O GLN A 33 11.602 -9.275 4.540 1.00 0.00 O ATOM 512 CB GLN A 33 10.919 -6.723 2.586 1.00 0.00 C ATOM 513 CG GLN A 33 10.062 -6.296 1.426 1.00 0.00 C ATOM 514 CD GLN A 33 9.627 -7.438 0.527 1.00 0.00 C ATOM 515 OE1 GLN A 33 9.405 -8.578 0.950 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.582 -7.153 -0.724 1.00 0.00 N ATOM 0 H GLN A 33 9.183 -5.724 4.025 1.00 0.00 H new ATOM 0 HA GLN A 33 9.632 -8.335 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.349 -5.832 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.749 -7.316 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.175 -5.791 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.612 -5.567 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.771 -6.201 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.357 -7.879 -1.405 1.00 0.00 H new ATOM 525 N SER A 34 11.802 -7.235 5.430 1.00 0.00 N ATOM 526 CA SER A 34 12.862 -7.592 6.341 1.00 0.00 C ATOM 527 C SER A 34 12.369 -8.588 7.418 1.00 0.00 C ATOM 528 O SER A 34 13.142 -9.396 7.932 1.00 0.00 O ATOM 529 CB SER A 34 13.432 -6.313 6.965 1.00 0.00 C ATOM 530 OG SER A 34 13.825 -5.385 5.935 1.00 0.00 O ATOM 0 H SER A 34 11.499 -6.264 5.507 1.00 0.00 H new ATOM 0 HA SER A 34 13.654 -8.102 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.686 -5.853 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.291 -6.557 7.591 1.00 0.00 H new ATOM 0 HG SER A 34 13.050 -4.850 5.664 1.00 0.00 H new ATOM 536 N GLN A 35 11.079 -8.542 7.734 1.00 0.00 N ATOM 537 CA GLN A 35 10.489 -9.461 8.711 1.00 0.00 C ATOM 538 C GLN A 35 10.028 -10.739 8.017 1.00 0.00 C ATOM 539 O GLN A 35 9.835 -11.777 8.646 1.00 0.00 O ATOM 540 CB GLN A 35 9.310 -8.808 9.424 1.00 0.00 C ATOM 541 CG GLN A 35 9.663 -7.529 10.161 1.00 0.00 C ATOM 542 CD GLN A 35 8.485 -6.911 10.892 1.00 0.00 C ATOM 543 OE1 GLN A 35 8.663 -6.253 11.915 1.00 0.00 O ATOM 544 NE2 GLN A 35 7.287 -7.121 10.401 1.00 0.00 N ATOM 0 H GLN A 35 10.418 -7.879 7.329 1.00 0.00 H new ATOM 0 HA GLN A 35 11.250 -9.707 9.451 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.532 -8.590 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.889 -9.520 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.457 -7.739 10.878 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.060 -6.805 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.174 -7.672 9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.468 -6.734 10.870 1.00 0.00 H new ATOM 553 N ARG A 36 9.854 -10.642 6.720 1.00 0.00 N ATOM 554 CA ARG A 36 9.436 -11.738 5.888 1.00 0.00 C ATOM 555 C ARG A 36 10.650 -12.626 5.631 1.00 0.00 C ATOM 556 O ARG A 36 10.529 -13.827 5.373 1.00 0.00 O ATOM 557 CB ARG A 36 8.905 -11.162 4.566 1.00 0.00 C ATOM 558 CG ARG A 36 8.252 -12.142 3.611 1.00 0.00 C ATOM 559 CD ARG A 36 6.943 -12.687 4.152 1.00 0.00 C ATOM 560 NE ARG A 36 6.229 -13.481 3.142 1.00 0.00 N ATOM 561 CZ ARG A 36 4.890 -13.621 3.077 1.00 0.00 C ATOM 562 NH1 ARG A 36 4.119 -13.105 4.037 1.00 0.00 N ATOM 563 NH2 ARG A 36 4.334 -14.299 2.066 1.00 0.00 N ATOM 0 H ARG A 36 10.004 -9.775 6.204 1.00 0.00 H new ATOM 0 HA ARG A 36 8.652 -12.326 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.181 -10.382 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.734 -10.681 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.071 -11.649 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.936 -12.969 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.140 -13.304 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.312 -11.861 4.479 1.00 0.00 H new ATOM 0 HE ARG A 36 6.789 -13.962 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.543 -12.605 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.106 -13.210 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.924 -14.711 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.321 -14.404 2.019 1.00 0.00 H new ATOM 577 N GLY A 37 11.818 -12.019 5.701 1.00 0.00 N ATOM 578 CA GLY A 37 13.058 -12.725 5.508 1.00 0.00 C ATOM 579 C GLY A 37 13.466 -12.713 4.062 1.00 0.00 C ATOM 580 O GLY A 37 14.535 -12.201 3.699 1.00 0.00 O ATOM 0 H GLY A 37 11.929 -11.023 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.840 -12.266 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.952 -13.754 5.851 1.00 0.00 H new ATOM 584 N ASP A 38 12.607 -13.227 3.236 1.00 0.00 N ATOM 585 CA ASP A 38 12.850 -13.286 1.814 1.00 0.00 C ATOM 586 C ASP A 38 11.893 -12.369 1.117 1.00 0.00 C ATOM 587 O ASP A 38 10.700 -12.354 1.438 1.00 0.00 O ATOM 588 CB ASP A 38 12.726 -14.719 1.278 1.00 0.00 C ATOM 589 CG ASP A 38 12.880 -14.802 -0.232 1.00 0.00 C ATOM 590 OD1 ASP A 38 13.954 -14.438 -0.763 1.00 0.00 O ATOM 591 OD2 ASP A 38 11.950 -15.249 -0.905 1.00 0.00 O ATOM 0 H ASP A 38 11.711 -13.621 3.524 1.00 0.00 H new ATOM 0 HA ASP A 38 13.872 -12.963 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.483 -15.345 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.755 -15.125 1.562 1.00 0.00 H new ATOM 596 N TYR A 39 12.415 -11.598 0.194 1.00 0.00 N ATOM 597 CA TYR A 39 11.650 -10.611 -0.530 1.00 0.00 C ATOM 598 C TYR A 39 10.643 -11.307 -1.414 1.00 0.00 C ATOM 599 O TYR A 39 11.003 -12.218 -2.176 1.00 0.00 O ATOM 600 CB TYR A 39 12.587 -9.741 -1.362 1.00 0.00 C ATOM 601 CG TYR A 39 13.685 -9.094 -0.556 1.00 0.00 C ATOM 602 CD1 TYR A 39 13.455 -7.926 0.146 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.951 -9.660 -0.492 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.452 -7.334 0.884 1.00 0.00 C ATOM 605 CE2 TYR A 39 15.955 -9.075 0.244 1.00 0.00 C ATOM 606 CZ TYR A 39 15.698 -7.913 0.932 1.00 0.00 C ATOM 607 OH TYR A 39 16.702 -7.314 1.658 1.00 0.00 O ATOM 0 H TYR A 39 13.397 -11.639 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 39 11.117 -9.970 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.035 -10.351 -2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.004 -8.964 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.476 -7.471 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.151 -10.575 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.258 -6.419 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.936 -9.525 0.281 1.00 0.00 H new ATOM 0 HH TYR A 39 17.519 -7.850 1.590 1.00 0.00 H new ATOM 617 N ASN A 40 9.396 -10.897 -1.306 1.00 0.00 N ATOM 618 CA ASN A 40 8.307 -11.568 -2.008 1.00 0.00 C ATOM 619 C ASN A 40 8.454 -11.470 -3.539 1.00 0.00 C ATOM 620 O ASN A 40 8.112 -12.419 -4.265 1.00 0.00 O ATOM 621 CB ASN A 40 6.941 -11.070 -1.515 1.00 0.00 C ATOM 622 CG ASN A 40 5.803 -12.032 -1.848 1.00 0.00 C ATOM 623 OD1 ASN A 40 5.550 -12.972 -1.106 1.00 0.00 O ATOM 624 ND2 ASN A 40 5.076 -11.773 -2.888 1.00 0.00 N ATOM 0 H ASN A 40 9.105 -10.101 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 40 8.367 -12.630 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.981 -10.923 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.731 -10.098 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.270 -12.359 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.310 -10.983 -3.490 1.00 0.00 H new ATOM 631 N GLY A 41 8.965 -10.355 -4.032 1.00 0.00 N ATOM 632 CA GLY A 41 9.262 -10.246 -5.432 1.00 0.00 C ATOM 633 C GLY A 41 8.710 -9.002 -6.068 1.00 0.00 C ATOM 634 O GLY A 41 9.213 -7.908 -5.861 1.00 0.00 O ATOM 0 H GLY A 41 9.178 -9.524 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.343 -10.265 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.860 -11.117 -5.949 1.00 0.00 H new ATOM 638 N LYS A 42 7.672 -9.169 -6.815 1.00 0.00 N ATOM 639 CA LYS A 42 7.079 -8.074 -7.563 1.00 0.00 C ATOM 640 C LYS A 42 5.950 -7.462 -6.782 1.00 0.00 C ATOM 641 O LYS A 42 5.724 -6.252 -6.813 1.00 0.00 O ATOM 642 CB LYS A 42 6.526 -8.573 -8.901 1.00 0.00 C ATOM 643 CG LYS A 42 7.538 -9.220 -9.831 1.00 0.00 C ATOM 644 CD LYS A 42 8.675 -8.279 -10.170 1.00 0.00 C ATOM 645 CE LYS A 42 9.536 -8.838 -11.283 1.00 0.00 C ATOM 646 NZ LYS A 42 8.772 -8.984 -12.546 1.00 0.00 N ATOM 0 H LYS A 42 7.198 -10.064 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 42 7.857 -7.331 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.733 -9.293 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.068 -7.731 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.938 -10.119 -9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.040 -9.533 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.272 -7.311 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.287 -8.110 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.390 -8.181 -11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.933 -9.808 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.432 -9.020 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.216 -9.862 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.132 -8.172 -12.660 1.00 0.00 H new ATOM 660 N VAL A 43 5.243 -8.302 -6.087 1.00 0.00 N ATOM 661 CA VAL A 43 4.086 -7.904 -5.346 1.00 0.00 C ATOM 662 C VAL A 43 4.183 -8.431 -3.931 1.00 0.00 C ATOM 663 O VAL A 43 5.100 -9.181 -3.615 1.00 0.00 O ATOM 664 CB VAL A 43 2.772 -8.417 -6.013 1.00 0.00 C ATOM 665 CG1 VAL A 43 2.579 -7.802 -7.395 1.00 0.00 C ATOM 666 CG2 VAL A 43 2.762 -9.942 -6.117 1.00 0.00 C ATOM 0 H VAL A 43 5.458 -9.297 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 43 4.051 -6.815 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 43 1.945 -8.107 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.655 -8.178 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.523 -6.717 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.421 -8.071 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.834 -10.269 -6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.608 -10.271 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.837 -10.375 -5.120 1.00 0.00 H new ATOM 676 N LEU A 44 3.282 -8.012 -3.097 1.00 0.00 N ATOM 677 CA LEU A 44 3.201 -8.460 -1.734 1.00 0.00 C ATOM 678 C LEU A 44 1.736 -8.619 -1.373 1.00 0.00 C ATOM 679 O LEU A 44 0.924 -7.721 -1.637 1.00 0.00 O ATOM 680 CB LEU A 44 3.865 -7.431 -0.804 1.00 0.00 C ATOM 681 CG LEU A 44 3.920 -7.776 0.689 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.780 -9.011 0.941 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.440 -6.591 1.487 1.00 0.00 C ATOM 0 H LEU A 44 2.564 -7.333 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 44 3.720 -9.412 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.885 -7.268 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.336 -6.484 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 44 2.907 -8.003 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.799 -9.229 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.361 -9.862 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.795 -8.825 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.473 -6.851 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.442 -6.334 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.778 -5.737 1.344 1.00 0.00 H new ATOM 695 N SER A 45 1.394 -9.746 -0.830 1.00 0.00 N ATOM 696 CA SER A 45 0.055 -10.019 -0.411 1.00 0.00 C ATOM 697 C SER A 45 -0.185 -9.517 1.015 1.00 0.00 C ATOM 698 O SER A 45 0.447 -9.982 1.971 1.00 0.00 O ATOM 699 CB SER A 45 -0.183 -11.518 -0.538 1.00 0.00 C ATOM 700 OG SER A 45 1.008 -12.239 -0.186 1.00 0.00 O ATOM 0 H SER A 45 2.046 -10.512 -0.663 1.00 0.00 H new ATOM 0 HA SER A 45 -0.656 -9.488 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.005 -11.820 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.477 -11.762 -1.559 1.00 0.00 H new ATOM 0 HG SER A 45 0.844 -13.202 -0.269 1.00 0.00 H new ATOM 706 N ILE A 46 -1.062 -8.555 1.147 1.00 0.00 N ATOM 707 CA ILE A 46 -1.404 -7.998 2.433 1.00 0.00 C ATOM 708 C ILE A 46 -2.883 -8.213 2.693 1.00 0.00 C ATOM 709 O ILE A 46 -3.657 -8.452 1.755 1.00 0.00 O ATOM 710 CB ILE A 46 -1.041 -6.486 2.558 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.717 -5.656 1.452 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.474 -6.295 2.549 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.437 -4.168 1.529 1.00 0.00 C ATOM 0 H ILE A 46 -1.561 -8.134 0.364 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.810 -8.517 3.185 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.421 -6.124 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.385 -6.026 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.794 -5.814 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.707 -5.234 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.914 -6.834 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.884 -6.680 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.951 -3.658 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.795 -3.779 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.364 -3.995 1.446 1.00 0.00 H new ATOM 725 N ARG A 47 -3.284 -8.158 3.934 1.00 0.00 N ATOM 726 CA ARG A 47 -4.668 -8.383 4.248 1.00 0.00 C ATOM 727 C ARG A 47 -5.507 -7.142 4.045 1.00 0.00 C ATOM 728 O ARG A 47 -5.010 -6.013 4.068 1.00 0.00 O ATOM 729 CB ARG A 47 -4.880 -8.884 5.662 1.00 0.00 C ATOM 730 CG ARG A 47 -4.232 -10.207 5.997 1.00 0.00 C ATOM 731 CD ARG A 47 -4.757 -10.703 7.319 1.00 0.00 C ATOM 732 NE ARG A 47 -4.546 -9.714 8.387 1.00 0.00 N ATOM 733 CZ ARG A 47 -5.508 -9.164 9.150 1.00 0.00 C ATOM 734 NH1 ARG A 47 -6.792 -9.508 8.986 1.00 0.00 N ATOM 735 NH2 ARG A 47 -5.180 -8.262 10.064 1.00 0.00 N ATOM 0 H ARG A 47 -2.682 -7.962 4.734 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.989 -9.158 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.503 -8.131 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.952 -8.971 5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.442 -10.935 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.149 -10.092 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.821 -10.923 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.260 -11.636 7.582 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.586 -9.419 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.050 -10.194 8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.512 -9.084 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.204 -7.990 10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.903 -7.840 10.647 1.00 0.00 H new ATOM 749 N GLN A 48 -6.779 -7.388 3.893 1.00 0.00 N ATOM 750 CA GLN A 48 -7.823 -6.395 3.724 1.00 0.00 C ATOM 751 C GLN A 48 -7.774 -5.298 4.814 1.00 0.00 C ATOM 752 O GLN A 48 -7.763 -4.111 4.509 1.00 0.00 O ATOM 753 CB GLN A 48 -9.223 -7.094 3.670 1.00 0.00 C ATOM 754 CG GLN A 48 -9.593 -7.987 4.892 1.00 0.00 C ATOM 755 CD GLN A 48 -8.718 -9.246 5.082 1.00 0.00 C ATOM 756 OE1 GLN A 48 -8.479 -9.678 6.203 1.00 0.00 O ATOM 757 NE2 GLN A 48 -8.260 -9.847 4.007 1.00 0.00 N ATOM 0 H GLN A 48 -7.144 -8.340 3.882 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.651 -5.886 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.987 -6.324 3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.265 -7.709 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.529 -7.381 5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.632 -8.300 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.471 -9.470 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.693 -10.690 4.097 1.00 0.00 H new ATOM 766 N ASP A 49 -7.709 -5.710 6.069 1.00 0.00 N ATOM 767 CA ASP A 49 -7.652 -4.769 7.199 1.00 0.00 C ATOM 768 C ASP A 49 -6.254 -4.267 7.430 1.00 0.00 C ATOM 769 O ASP A 49 -6.051 -3.240 8.053 1.00 0.00 O ATOM 770 CB ASP A 49 -8.190 -5.390 8.497 1.00 0.00 C ATOM 771 CG ASP A 49 -9.690 -5.501 8.535 1.00 0.00 C ATOM 772 OD1 ASP A 49 -10.244 -6.495 8.025 1.00 0.00 O ATOM 773 OD2 ASP A 49 -10.354 -4.580 9.073 1.00 0.00 O ATOM 0 H ASP A 49 -7.694 -6.693 6.342 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.292 -3.930 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.757 -6.383 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.857 -4.789 9.343 1.00 0.00 H new ATOM 778 N ASP A 50 -5.291 -4.979 6.893 1.00 0.00 N ATOM 779 CA ASP A 50 -3.877 -4.663 7.113 1.00 0.00 C ATOM 780 C ASP A 50 -3.508 -3.385 6.379 1.00 0.00 C ATOM 781 O ASP A 50 -2.728 -2.581 6.861 1.00 0.00 O ATOM 782 CB ASP A 50 -3.008 -5.829 6.658 1.00 0.00 C ATOM 783 CG ASP A 50 -1.557 -5.712 7.047 1.00 0.00 C ATOM 784 OD1 ASP A 50 -1.263 -5.728 8.265 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.701 -5.751 6.166 1.00 0.00 O ATOM 0 H ASP A 50 -5.451 -5.789 6.294 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.704 -4.503 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.411 -6.751 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.075 -5.915 5.573 1.00 0.00 H new ATOM 790 N LEU A 51 -4.150 -3.174 5.237 1.00 0.00 N ATOM 791 CA LEU A 51 -3.957 -1.969 4.433 1.00 0.00 C ATOM 792 C LEU A 51 -4.416 -0.723 5.236 1.00 0.00 C ATOM 793 O LEU A 51 -3.848 0.368 5.109 1.00 0.00 O ATOM 794 CB LEU A 51 -4.720 -2.137 3.080 1.00 0.00 C ATOM 795 CG LEU A 51 -4.555 -1.065 1.958 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.330 0.205 2.244 1.00 0.00 C ATOM 797 CD2 LEU A 51 -3.085 -0.746 1.714 1.00 0.00 C ATOM 0 H LEU A 51 -4.820 -3.833 4.840 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.902 -1.820 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.425 -3.098 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.783 -2.204 3.312 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.976 -1.502 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.178 0.915 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.391 -0.028 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.979 0.643 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.001 0.004 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.639 -0.361 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.562 -1.652 1.409 1.00 0.00 H new ATOM 809 N ARG A 52 -5.389 -0.928 6.127 1.00 0.00 N ATOM 810 CA ARG A 52 -5.934 0.145 6.964 1.00 0.00 C ATOM 811 C ARG A 52 -4.905 0.623 7.982 1.00 0.00 C ATOM 812 O ARG A 52 -4.954 1.763 8.438 1.00 0.00 O ATOM 813 CB ARG A 52 -7.217 -0.305 7.681 1.00 0.00 C ATOM 814 CG ARG A 52 -8.409 -0.520 6.762 1.00 0.00 C ATOM 815 CD ARG A 52 -9.620 -1.044 7.520 1.00 0.00 C ATOM 816 NE ARG A 52 -10.829 -1.014 6.687 1.00 0.00 N ATOM 817 CZ ARG A 52 -11.783 -1.961 6.638 1.00 0.00 C ATOM 818 NH1 ARG A 52 -11.681 -3.079 7.343 1.00 0.00 N ATOM 819 NH2 ARG A 52 -12.856 -1.777 5.879 1.00 0.00 N ATOM 0 H ARG A 52 -5.820 -1.838 6.289 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.182 0.977 6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.014 -1.233 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.481 0.442 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.665 0.420 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.139 -1.225 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.430 -2.065 7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.778 -0.443 8.415 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.958 -0.198 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.867 -3.234 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.416 -3.784 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.955 -0.920 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.581 -2.493 5.839 1.00 0.00 H new ATOM 833 N THR A 53 -3.955 -0.235 8.298 1.00 0.00 N ATOM 834 CA THR A 53 -2.921 0.071 9.257 1.00 0.00 C ATOM 835 C THR A 53 -1.948 1.120 8.680 1.00 0.00 C ATOM 836 O THR A 53 -1.460 1.997 9.397 1.00 0.00 O ATOM 837 CB THR A 53 -2.169 -1.220 9.613 1.00 0.00 C ATOM 838 OG1 THR A 53 -3.140 -2.227 9.950 1.00 0.00 O ATOM 839 CG2 THR A 53 -1.242 -1.007 10.801 1.00 0.00 C ATOM 0 H THR A 53 -3.882 -1.168 7.892 1.00 0.00 H new ATOM 0 HA THR A 53 -3.372 0.487 10.158 1.00 0.00 H new ATOM 0 HB THR A 53 -1.564 -1.526 8.760 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.680 -3.061 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.724 -1.938 11.029 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.512 -0.235 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.826 -0.695 11.667 1.00 0.00 H new ATOM 847 N LEU A 54 -1.733 1.064 7.367 1.00 0.00 N ATOM 848 CA LEU A 54 -0.827 1.990 6.695 1.00 0.00 C ATOM 849 C LEU A 54 -1.358 3.411 6.769 1.00 0.00 C ATOM 850 O LEU A 54 -0.599 4.360 6.972 1.00 0.00 O ATOM 851 CB LEU A 54 -0.573 1.603 5.220 1.00 0.00 C ATOM 852 CG LEU A 54 0.299 0.364 4.937 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.350 -0.919 5.410 1.00 0.00 C ATOM 854 CD2 LEU A 54 0.639 0.276 3.461 1.00 0.00 C ATOM 0 H LEU A 54 -2.175 0.385 6.747 1.00 0.00 H new ATOM 0 HA LEU A 54 0.126 1.930 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.541 1.446 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.110 2.457 4.726 1.00 0.00 H new ATOM 0 HG LEU A 54 1.220 0.486 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.305 -1.762 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.520 -0.866 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.303 -1.055 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.255 -0.605 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.280 0.201 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.187 1.169 3.160 1.00 0.00 H new ATOM 866 N ALA A 55 -2.670 3.538 6.662 1.00 0.00 N ATOM 867 CA ALA A 55 -3.342 4.828 6.692 1.00 0.00 C ATOM 868 C ALA A 55 -3.040 5.580 7.978 1.00 0.00 C ATOM 869 O ALA A 55 -2.773 6.778 7.951 1.00 0.00 O ATOM 870 CB ALA A 55 -4.835 4.638 6.528 1.00 0.00 C ATOM 0 H ALA A 55 -3.303 2.746 6.551 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.965 5.427 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.330 5.609 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.037 4.151 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.214 4.017 7.340 1.00 0.00 H new ATOM 876 N VAL A 56 -3.005 4.849 9.079 1.00 0.00 N ATOM 877 CA VAL A 56 -2.765 5.424 10.399 1.00 0.00 C ATOM 878 C VAL A 56 -1.372 6.053 10.452 1.00 0.00 C ATOM 879 O VAL A 56 -1.192 7.166 10.956 1.00 0.00 O ATOM 880 CB VAL A 56 -2.884 4.338 11.505 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.678 4.930 12.894 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.225 3.629 11.420 1.00 0.00 C ATOM 0 H VAL A 56 -3.142 3.838 9.087 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.519 6.191 10.577 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.093 3.607 11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.768 4.142 13.642 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.686 5.377 12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.433 5.694 13.079 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.287 2.873 12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.029 4.354 11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.323 3.151 10.445 1.00 0.00 H new ATOM 892 N ILE A 57 -0.423 5.363 9.853 1.00 0.00 N ATOM 893 CA ILE A 57 0.978 5.766 9.837 1.00 0.00 C ATOM 894 C ILE A 57 1.157 7.096 9.100 1.00 0.00 C ATOM 895 O ILE A 57 1.906 7.976 9.539 1.00 0.00 O ATOM 896 CB ILE A 57 1.842 4.679 9.141 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.605 3.318 9.804 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.325 5.053 9.176 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.363 2.174 9.169 1.00 0.00 C ATOM 0 H ILE A 57 -0.601 4.491 9.354 1.00 0.00 H new ATOM 0 HA ILE A 57 1.302 5.887 10.871 1.00 0.00 H new ATOM 0 HB ILE A 57 1.543 4.614 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.886 3.385 10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.539 3.093 9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.908 4.276 8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.473 6.001 8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.652 5.149 10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.138 1.249 9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.065 2.075 8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.433 2.372 9.224 1.00 0.00 H new ATOM 911 N TYR A 58 0.426 7.262 8.016 1.00 0.00 N ATOM 912 CA TYR A 58 0.577 8.452 7.183 1.00 0.00 C ATOM 913 C TYR A 58 -0.451 9.504 7.583 1.00 0.00 C ATOM 914 O TYR A 58 -0.597 10.523 6.909 1.00 0.00 O ATOM 915 CB TYR A 58 0.406 8.108 5.688 1.00 0.00 C ATOM 916 CG TYR A 58 1.052 6.803 5.265 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.320 6.435 5.702 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.358 5.914 4.470 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.864 5.220 5.348 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.893 4.698 4.122 1.00 0.00 C ATOM 921 CZ TYR A 58 2.147 4.358 4.566 1.00 0.00 C ATOM 922 OH TYR A 58 2.677 3.140 4.243 1.00 0.00 O ATOM 0 H TYR A 58 -0.275 6.597 7.688 1.00 0.00 H new ATOM 0 HA TYR A 58 1.582 8.845 7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.659 8.063 5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.827 8.917 5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.885 7.110 6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.626 6.180 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.853 4.949 5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.331 4.014 3.503 1.00 0.00 H new ATOM 0 HH TYR A 58 2.184 2.434 4.712 1.00 0.00 H new ATOM 932 N ASP A 59 -1.166 9.236 8.685 1.00 0.00 N ATOM 933 CA ASP A 59 -2.200 10.124 9.224 1.00 0.00 C ATOM 934 C ASP A 59 -3.339 10.339 8.258 1.00 0.00 C ATOM 935 O ASP A 59 -4.032 11.356 8.287 1.00 0.00 O ATOM 936 CB ASP A 59 -1.624 11.445 9.725 1.00 0.00 C ATOM 937 CG ASP A 59 -0.989 11.297 11.073 1.00 0.00 C ATOM 938 OD1 ASP A 59 -1.718 11.310 12.076 1.00 0.00 O ATOM 939 OD2 ASP A 59 0.242 11.142 11.172 1.00 0.00 O ATOM 0 H ASP A 59 -1.039 8.385 9.232 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.618 9.611 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.885 11.813 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.417 12.191 9.776 1.00 0.00 H new ATOM 944 N GLN A 60 -3.584 9.341 7.473 1.00 0.00 N ATOM 945 CA GLN A 60 -4.613 9.372 6.492 1.00 0.00 C ATOM 946 C GLN A 60 -5.779 8.552 6.958 1.00 0.00 C ATOM 947 O GLN A 60 -5.692 7.833 7.956 1.00 0.00 O ATOM 948 CB GLN A 60 -4.099 8.817 5.157 1.00 0.00 C ATOM 949 CG GLN A 60 -2.990 9.640 4.545 1.00 0.00 C ATOM 950 CD GLN A 60 -3.430 11.056 4.267 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.604 11.317 3.985 1.00 0.00 O ATOM 952 NE2 GLN A 60 -2.521 11.975 4.352 1.00 0.00 N ATOM 0 H GLN A 60 -3.062 8.465 7.498 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.925 10.406 6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.742 7.799 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.929 8.761 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.132 9.651 5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.661 9.173 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.561 11.723 4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.765 12.951 4.184 1.00 0.00 H new ATOM 961 N SER A 61 -6.857 8.671 6.261 1.00 0.00 N ATOM 962 CA SER A 61 -7.996 7.870 6.512 1.00 0.00 C ATOM 963 C SER A 61 -7.957 6.753 5.472 1.00 0.00 C ATOM 964 O SER A 61 -7.636 7.026 4.303 1.00 0.00 O ATOM 965 CB SER A 61 -9.274 8.721 6.381 1.00 0.00 C ATOM 966 OG SER A 61 -10.433 7.992 6.752 1.00 0.00 O ATOM 0 H SER A 61 -6.969 9.335 5.495 1.00 0.00 H new ATOM 0 HA SER A 61 -7.997 7.457 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.186 9.608 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.376 9.067 5.353 1.00 0.00 H new ATOM 0 HG SER A 61 -11.223 8.564 6.658 1.00 0.00 H new ATOM 972 N PRO A 62 -8.243 5.492 5.863 1.00 0.00 N ATOM 973 CA PRO A 62 -8.169 4.324 4.966 1.00 0.00 C ATOM 974 C PRO A 62 -8.926 4.525 3.652 1.00 0.00 C ATOM 975 O PRO A 62 -8.497 4.040 2.602 1.00 0.00 O ATOM 976 CB PRO A 62 -8.783 3.179 5.783 1.00 0.00 C ATOM 977 CG PRO A 62 -9.407 3.822 6.976 1.00 0.00 C ATOM 978 CD PRO A 62 -8.653 5.093 7.218 1.00 0.00 C ATOM 0 HA PRO A 62 -7.141 4.131 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.525 2.635 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.021 2.458 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.463 4.025 6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.350 3.166 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.278 5.850 7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.794 4.936 7.871 1.00 0.00 H new ATOM 986 N SER A 63 -10.010 5.276 3.721 1.00 0.00 N ATOM 987 CA SER A 63 -10.838 5.601 2.586 1.00 0.00 C ATOM 988 C SER A 63 -9.993 6.267 1.470 1.00 0.00 C ATOM 989 O SER A 63 -9.897 5.751 0.347 1.00 0.00 O ATOM 990 CB SER A 63 -11.902 6.565 3.082 1.00 0.00 C ATOM 991 OG SER A 63 -12.347 6.152 4.369 1.00 0.00 O ATOM 0 H SER A 63 -10.343 5.685 4.594 1.00 0.00 H new ATOM 0 HA SER A 63 -11.287 4.702 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.498 7.576 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.740 6.590 2.385 1.00 0.00 H new ATOM 0 HG SER A 63 -11.942 6.724 5.054 1.00 0.00 H new ATOM 997 N VAL A 64 -9.317 7.359 1.812 1.00 0.00 N ATOM 998 CA VAL A 64 -8.535 8.104 0.833 1.00 0.00 C ATOM 999 C VAL A 64 -7.197 7.428 0.563 1.00 0.00 C ATOM 1000 O VAL A 64 -6.639 7.559 -0.514 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.330 9.605 1.221 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -9.670 10.319 1.318 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.552 9.756 2.526 1.00 0.00 C ATOM 0 H VAL A 64 -9.295 7.746 2.755 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.121 8.098 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.738 10.067 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.508 11.362 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.179 10.269 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.284 9.838 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.432 10.814 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.097 9.267 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.570 9.295 2.420 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.714 6.671 1.535 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.450 5.965 1.401 1.00 0.00 C ATOM 1015 C LEU A 65 -5.578 4.899 0.303 1.00 0.00 C ATOM 1016 O LEU A 65 -4.744 4.823 -0.601 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.036 5.365 2.779 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.617 4.743 2.936 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.491 3.382 2.271 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.554 5.694 2.412 1.00 0.00 C ATOM 0 H LEU A 65 -7.181 6.529 2.430 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.657 6.650 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.134 6.154 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.763 4.594 3.034 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.461 4.586 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.480 2.999 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.207 2.692 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.695 3.478 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.570 5.241 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.735 5.896 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.593 6.628 2.972 1.00 0.00 H new ATOM 1032 N THR A 66 -6.653 4.130 0.359 1.00 0.00 N ATOM 1033 CA THR A 66 -6.920 3.100 -0.634 1.00 0.00 C ATOM 1034 C THR A 66 -7.119 3.760 -2.015 1.00 0.00 C ATOM 1035 O THR A 66 -6.626 3.269 -3.039 1.00 0.00 O ATOM 1036 CB THR A 66 -8.190 2.298 -0.246 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.080 1.863 1.123 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.360 1.070 -1.139 1.00 0.00 C ATOM 0 H THR A 66 -7.362 4.200 1.089 1.00 0.00 H new ATOM 0 HA THR A 66 -6.073 2.415 -0.676 1.00 0.00 H new ATOM 0 HB THR A 66 -9.056 2.948 -0.374 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.495 2.528 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.258 0.527 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.452 1.386 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.492 0.420 -1.033 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.781 4.918 -1.998 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.082 5.687 -3.195 1.00 0.00 C ATOM 1048 C GLU A 67 -6.765 6.084 -3.896 1.00 0.00 C ATOM 1049 O GLU A 67 -6.626 5.933 -5.119 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.864 6.940 -2.791 1.00 0.00 C ATOM 1051 CG GLU A 67 -9.663 7.594 -3.897 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.789 6.710 -4.368 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.622 6.306 -3.534 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -10.875 6.414 -5.582 1.00 0.00 O ATOM 0 H GLU A 67 -8.125 5.349 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.680 5.092 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.545 6.677 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.162 7.672 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.068 8.542 -3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.005 7.823 -4.735 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.806 6.566 -3.103 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.478 6.949 -3.576 1.00 0.00 C ATOM 1063 C GLN A 68 -3.749 5.771 -4.194 1.00 0.00 C ATOM 1064 O GLN A 68 -3.321 5.831 -5.340 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.654 7.513 -2.419 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.076 8.893 -1.970 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.750 9.945 -3.002 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -4.548 10.233 -3.900 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -2.584 10.532 -2.889 1.00 0.00 N ATOM 0 H GLN A 68 -5.934 6.702 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.604 7.712 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.724 6.831 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.606 7.545 -2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.148 8.898 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.578 9.138 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.951 10.268 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.309 11.253 -3.556 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.656 4.692 -3.439 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.963 3.474 -3.860 1.00 0.00 C ATOM 1080 C LEU A 69 -3.461 2.936 -5.206 1.00 0.00 C ATOM 1081 O LEU A 69 -2.653 2.547 -6.076 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.068 2.405 -2.772 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.962 2.362 -1.703 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.651 1.932 -2.326 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.790 3.706 -1.013 1.00 0.00 C ATOM 0 H LEU A 69 -4.062 4.629 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.915 3.737 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.022 2.538 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.100 1.431 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.263 1.636 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.124 1.905 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.764 0.940 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.368 2.641 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.000 3.633 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.523 4.462 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.724 3.988 -0.527 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.765 2.944 -5.391 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.372 2.485 -6.637 1.00 0.00 C ATOM 1099 C ILE A 70 -5.034 3.446 -7.797 1.00 0.00 C ATOM 1100 O ILE A 70 -4.773 3.016 -8.924 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.914 2.318 -6.479 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.212 1.229 -5.434 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.581 1.983 -7.816 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.681 1.057 -5.114 1.00 0.00 C ATOM 0 H ILE A 70 -5.435 3.265 -4.692 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.954 1.507 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.330 3.266 -6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.817 0.279 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.678 1.468 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.656 1.873 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.392 2.786 -8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.171 1.050 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.801 0.270 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.080 1.992 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.221 0.784 -6.021 1.00 0.00 H new ATOM 1116 N SER A 71 -4.973 4.731 -7.495 1.00 0.00 N ATOM 1117 CA SER A 71 -4.670 5.752 -8.492 1.00 0.00 C ATOM 1118 C SER A 71 -3.200 5.670 -8.952 1.00 0.00 C ATOM 1119 O SER A 71 -2.863 6.030 -10.090 1.00 0.00 O ATOM 1120 CB SER A 71 -4.981 7.137 -7.922 1.00 0.00 C ATOM 1121 OG SER A 71 -6.330 7.197 -7.478 1.00 0.00 O ATOM 0 H SER A 71 -5.131 5.099 -6.557 1.00 0.00 H new ATOM 0 HA SER A 71 -5.296 5.576 -9.367 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.308 7.356 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.807 7.898 -8.683 1.00 0.00 H new ATOM 0 HG SER A 71 -6.395 6.815 -6.578 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.330 5.186 -8.078 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.918 5.055 -8.420 1.00 0.00 C ATOM 1129 C TRP A 72 -0.665 3.746 -9.166 1.00 0.00 C ATOM 1130 O TRP A 72 0.390 3.565 -9.780 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.034 5.071 -7.173 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.191 6.249 -6.267 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.604 7.505 -6.594 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.110 6.273 -4.874 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.613 8.299 -5.475 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.168 7.566 -4.405 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.582 5.316 -3.976 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.012 7.927 -3.069 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.764 5.671 -2.659 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.480 6.964 -2.212 1.00 0.00 C ATOM 0 H TRP A 72 -2.571 4.880 -7.135 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.666 5.906 -9.052 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.237 4.167 -6.598 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.007 5.020 -7.491 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.883 7.828 -7.586 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.904 9.276 -5.444 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.801 4.312 -4.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.209 8.926 -2.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.133 4.937 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.632 7.210 -1.171 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.620 2.831 -9.080 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.480 1.537 -9.717 1.00 0.00 C ATOM 1153 C GLY A 73 -0.650 0.597 -8.867 1.00 0.00 C ATOM 1154 O GLY A 73 -0.192 -0.459 -9.335 1.00 0.00 O ATOM 0 H GLY A 73 -2.497 2.964 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.466 1.104 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.012 1.658 -10.694 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.454 0.987 -7.619 1.00 0.00 N ATOM 1159 CA VAL A 74 0.339 0.218 -6.678 1.00 0.00 C ATOM 1160 C VAL A 74 -0.547 -0.826 -6.011 1.00 0.00 C ATOM 1161 O VAL A 74 -0.096 -1.890 -5.622 1.00 0.00 O ATOM 1162 CB VAL A 74 0.996 1.141 -5.601 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.843 0.342 -4.627 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.851 2.203 -6.257 1.00 0.00 C ATOM 0 H VAL A 74 -0.841 1.847 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 74 1.144 -0.277 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 74 0.187 1.618 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.285 1.015 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.218 -0.391 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.636 -0.172 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.299 2.835 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.639 1.727 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.232 2.814 -6.914 1.00 0.00 H new ATOM 1174 N LEU A 75 -1.802 -0.529 -5.909 1.00 0.00 N ATOM 1175 CA LEU A 75 -2.732 -1.449 -5.332 1.00 0.00 C ATOM 1176 C LEU A 75 -3.753 -1.795 -6.380 1.00 0.00 C ATOM 1177 O LEU A 75 -4.205 -0.911 -7.118 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.397 -0.822 -4.109 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.361 -1.696 -3.301 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.646 -2.908 -2.718 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.001 -0.875 -2.193 1.00 0.00 C ATOM 0 H LEU A 75 -2.211 0.352 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.222 -2.354 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.610 -0.480 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.942 0.063 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.140 -2.058 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.355 -3.510 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.227 -3.507 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.843 -2.575 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.685 -1.504 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.225 -0.490 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.552 -0.042 -2.629 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.068 -3.067 -6.480 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.058 -3.553 -7.436 1.00 0.00 C ATOM 1195 C ASP A 76 -6.435 -2.973 -7.101 1.00 0.00 C ATOM 1196 O ASP A 76 -6.859 -3.001 -5.934 1.00 0.00 O ATOM 1197 CB ASP A 76 -5.077 -5.087 -7.444 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.136 -5.678 -8.339 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -5.884 -5.847 -9.555 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -7.219 -6.016 -7.841 1.00 0.00 O ATOM 0 H ASP A 76 -3.650 -3.799 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.789 -3.220 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.100 -5.451 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.234 -5.444 -6.426 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.114 -2.458 -8.129 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.385 -1.721 -8.005 1.00 0.00 C ATOM 1207 C ALA A 77 -9.452 -2.450 -7.194 1.00 0.00 C ATOM 1208 O ALA A 77 -10.164 -1.829 -6.420 1.00 0.00 O ATOM 1209 CB ALA A 77 -8.923 -1.353 -9.378 1.00 0.00 C ATOM 0 H ALA A 77 -6.793 -2.541 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.150 -0.816 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.861 -0.810 -9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.199 -0.725 -9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.095 -2.261 -9.957 1.00 0.00 H new ATOM 1215 N ASP A 78 -9.510 -3.763 -7.334 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.495 -4.630 -6.641 1.00 0.00 C ATOM 1217 C ASP A 78 -10.463 -4.454 -5.115 1.00 0.00 C ATOM 1218 O ASP A 78 -11.417 -4.790 -4.418 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.328 -6.101 -7.046 1.00 0.00 C ATOM 1220 CG ASP A 78 -11.366 -7.027 -6.436 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.518 -7.027 -6.890 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -11.043 -7.780 -5.509 1.00 0.00 O ATOM 0 H ASP A 78 -8.872 -4.281 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.483 -4.307 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.380 -6.177 -8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.335 -6.439 -6.750 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.366 -3.907 -4.603 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.227 -3.593 -3.182 1.00 0.00 C ATOM 1229 C ALA A 79 -10.376 -2.694 -2.685 1.00 0.00 C ATOM 1230 O ALA A 79 -10.767 -2.767 -1.528 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.904 -2.908 -2.923 1.00 0.00 C ATOM 0 H ALA A 79 -8.546 -3.668 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.266 -4.534 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.814 -2.680 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.089 -3.566 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.854 -1.983 -3.498 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.931 -1.874 -3.578 1.00 0.00 N ATOM 1238 CA ARG A 80 -12.051 -0.990 -3.232 1.00 0.00 C ATOM 1239 C ARG A 80 -13.308 -1.823 -2.918 1.00 0.00 C ATOM 1240 O ARG A 80 -14.122 -1.450 -2.073 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.294 0.032 -4.363 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.777 -0.570 -5.678 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.442 0.324 -6.869 1.00 0.00 C ATOM 1244 NE ARG A 80 -12.983 1.680 -6.734 1.00 0.00 N ATOM 1245 CZ ARG A 80 -13.707 2.347 -7.643 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.115 1.763 -8.771 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.028 3.607 -7.407 1.00 0.00 N ATOM 0 H ARG A 80 -10.625 -1.802 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.803 -0.425 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.029 0.761 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.367 0.575 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.320 -1.549 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.855 -0.725 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.359 0.380 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.835 -0.130 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.788 2.165 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.877 0.789 -8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.665 2.291 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.725 4.057 -6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.579 4.129 -8.089 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.401 -2.989 -3.556 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.487 -3.933 -3.332 1.00 0.00 C ATOM 1263 C ARG A 81 -14.233 -4.642 -2.000 1.00 0.00 C ATOM 1264 O ARG A 81 -15.143 -4.846 -1.205 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.518 -4.969 -4.481 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.587 -6.057 -4.370 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.987 -5.507 -4.575 1.00 0.00 C ATOM 1268 NE ARG A 81 -18.015 -6.554 -4.431 1.00 0.00 N ATOM 1269 CZ ARG A 81 -19.018 -6.798 -5.300 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -19.124 -6.106 -6.431 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.905 -7.745 -5.030 1.00 0.00 N ATOM 0 H ARG A 81 -12.719 -3.304 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.444 -3.413 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.665 -4.437 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.542 -5.450 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.391 -6.833 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.523 -6.528 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.174 -4.712 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.060 -5.060 -5.567 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.963 -7.146 -3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.442 -5.380 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.887 -6.301 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.828 -8.286 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.665 -7.933 -5.684 1.00 0.00 H new