USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 478 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.048) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -106:sc= 0.827 (180deg=-0.102) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -5.15! C(o=-3.9!,f=-9.5!) USER MOD Set 3.2: A 16 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 9 CYS SG : rot 94:sc= 0.00951 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.329 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc=-0.00645 (180deg=-0.121) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= 1.08 (180deg=0.751) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -124:sc= 0 (180deg=-0.128) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 3.728 -8.213 10.373 1.00 0.00 N ATOM 67 CA PHE A 8 3.023 -7.133 9.692 1.00 0.00 C ATOM 68 C PHE A 8 1.521 -7.398 9.662 1.00 0.00 C ATOM 69 O PHE A 8 1.079 -8.542 9.779 1.00 0.00 O ATOM 70 CB PHE A 8 3.552 -6.970 8.266 1.00 0.00 C ATOM 71 CG PHE A 8 4.981 -6.511 8.205 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.293 -5.163 8.273 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.012 -7.428 8.079 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.606 -4.737 8.218 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.328 -7.008 8.023 1.00 0.00 C ATOM 76 CZ PHE A 8 7.625 -5.661 8.092 1.00 0.00 C ATOM 0 HA PHE A 8 3.200 -6.211 10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.462 -7.922 7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.926 -6.254 7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.500 -4.436 8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.785 -8.482 8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.835 -3.683 8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.123 -7.733 7.925 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.652 -5.331 8.048 1.00 0.00 H new ATOM 86 N CYS A 9 0.742 -6.333 9.507 1.00 0.00 N ATOM 87 CA CYS A 9 -0.712 -6.449 9.463 1.00 0.00 C ATOM 88 C CYS A 9 -1.166 -7.110 8.165 1.00 0.00 C ATOM 89 O CYS A 9 -1.939 -8.066 8.181 1.00 0.00 O ATOM 90 CB CYS A 9 -1.359 -5.071 9.602 1.00 0.00 C ATOM 91 SG CYS A 9 -1.505 -4.492 11.308 1.00 0.00 S ATOM 0 H CYS A 9 1.092 -5.380 9.410 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.027 -7.075 10.298 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.774 -4.348 9.033 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.352 -5.101 9.154 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.475 -3.757 11.607 1.00 0.00 H new ATOM 97 N GLY A 10 -0.680 -6.591 7.042 1.00 0.00 N ATOM 98 CA GLY A 10 -1.048 -7.141 5.750 1.00 0.00 C ATOM 99 C GLY A 10 -0.235 -6.551 4.615 1.00 0.00 C ATOM 100 O GLY A 10 0.736 -5.831 4.848 1.00 0.00 O ATOM 0 H GLY A 10 -0.038 -5.799 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.911 -8.222 5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.107 -6.956 5.568 1.00 0.00 H new ATOM 104 N ARG A 11 -0.631 -6.857 3.384 1.00 0.00 N ATOM 105 CA ARG A 11 0.069 -6.354 2.209 1.00 0.00 C ATOM 106 C ARG A 11 -0.903 -5.690 1.239 1.00 0.00 C ATOM 107 O ARG A 11 -2.047 -6.122 1.098 1.00 0.00 O ATOM 108 CB ARG A 11 0.811 -7.492 1.505 1.00 0.00 C ATOM 109 CG ARG A 11 1.878 -7.015 0.533 1.00 0.00 C ATOM 110 CD ARG A 11 2.275 -8.113 -0.441 1.00 0.00 C ATOM 111 NE ARG A 11 3.329 -8.967 0.099 1.00 0.00 N ATOM 112 CZ ARG A 11 3.539 -10.217 -0.301 1.00 0.00 C ATOM 113 NH1 ARG A 11 2.771 -10.754 -1.239 1.00 0.00 N ATOM 114 NH2 ARG A 11 4.519 -10.931 0.238 1.00 0.00 N ATOM 0 H ARG A 11 -1.433 -7.451 3.175 1.00 0.00 H new ATOM 0 HA ARG A 11 0.791 -5.608 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.275 -8.131 2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.089 -8.106 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.508 -6.152 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.756 -6.685 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.402 -8.721 -0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.614 -7.664 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 11 3.937 -8.584 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.017 -10.208 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.934 -11.713 -1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.112 -10.521 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.680 -11.890 -0.069 1.00 0.00 H new ATOM 128 N ALA A 12 -0.440 -4.638 0.572 1.00 0.00 N ATOM 129 CA ALA A 12 -1.268 -3.915 -0.385 1.00 0.00 C ATOM 130 C ALA A 12 -0.484 -3.588 -1.652 1.00 0.00 C ATOM 131 O ALA A 12 0.703 -3.269 -1.593 1.00 0.00 O ATOM 132 CB ALA A 12 -1.814 -2.642 0.244 1.00 0.00 C ATOM 0 H ALA A 12 0.504 -4.267 0.677 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.104 -4.557 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.430 -2.113 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.418 -2.897 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.986 -2.003 0.551 1.00 0.00 H new ATOM 138 N ARG A 13 -1.156 -3.669 -2.796 1.00 0.00 N ATOM 139 CA ARG A 13 -0.521 -3.383 -4.076 1.00 0.00 C ATOM 140 C ARG A 13 -0.841 -1.964 -4.537 1.00 0.00 C ATOM 141 O ARG A 13 -2.004 -1.559 -4.573 1.00 0.00 O ATOM 142 CB ARG A 13 -0.979 -4.389 -5.133 1.00 0.00 C ATOM 143 CG ARG A 13 -0.086 -4.432 -6.362 1.00 0.00 C ATOM 144 CD ARG A 13 -0.680 -5.308 -7.453 1.00 0.00 C ATOM 145 NE ARG A 13 -1.972 -4.807 -7.915 1.00 0.00 N ATOM 146 CZ ARG A 13 -2.633 -5.319 -8.947 1.00 0.00 C ATOM 147 NH1 ARG A 13 -2.126 -6.342 -9.622 1.00 0.00 N ATOM 148 NH2 ARG A 13 -3.803 -4.808 -9.307 1.00 0.00 N ATOM 0 H ARG A 13 -2.140 -3.930 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 13 0.558 -3.470 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.014 -5.382 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.995 -4.142 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.058 -3.421 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.898 -4.811 -6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.011 -5.358 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.799 -6.324 -7.077 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.390 -4.021 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.226 -6.738 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.636 -6.733 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.196 -4.021 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.309 -5.202 -10.100 1.00 0.00 H new ATOM 162 N VAL A 14 0.197 -1.212 -4.888 1.00 0.00 N ATOM 163 CA VAL A 14 0.027 0.161 -5.347 1.00 0.00 C ATOM 164 C VAL A 14 -0.571 0.202 -6.749 1.00 0.00 C ATOM 165 O VAL A 14 0.054 -0.239 -7.715 1.00 0.00 O ATOM 166 CB VAL A 14 1.366 0.923 -5.349 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.201 2.290 -5.994 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.906 1.053 -3.933 1.00 0.00 C ATOM 0 H VAL A 14 1.166 -1.531 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.656 0.645 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 14 2.087 0.356 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.157 2.814 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.862 2.168 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.466 2.869 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.852 1.594 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.189 1.598 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.064 0.060 -3.511 1.00 0.00 H new ATOM 178 N HIS A 15 -1.784 0.734 -6.854 1.00 0.00 N ATOM 179 CA HIS A 15 -2.466 0.834 -8.140 1.00 0.00 C ATOM 180 C HIS A 15 -2.375 2.252 -8.695 1.00 0.00 C ATOM 181 O HIS A 15 -2.560 2.476 -9.892 1.00 0.00 O ATOM 182 CB HIS A 15 -3.932 0.424 -7.996 1.00 0.00 C ATOM 183 CG HIS A 15 -4.644 1.126 -6.881 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.139 2.408 -6.993 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.945 0.717 -5.626 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.712 2.758 -5.856 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.608 1.749 -5.009 1.00 0.00 N ATOM 0 H HIS A 15 -2.315 1.102 -6.065 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.973 0.157 -8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.451 0.628 -8.933 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.985 -0.652 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.708 -0.243 -5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.185 3.707 -5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.963 1.739 -4.053 1.00 0.00 H new ATOM 195 N THR A 16 -2.089 3.209 -7.817 1.00 0.00 N ATOM 196 CA THR A 16 -1.975 4.606 -8.218 1.00 0.00 C ATOM 197 C THR A 16 -0.658 5.208 -7.744 1.00 0.00 C ATOM 198 O THR A 16 -0.412 5.319 -6.543 1.00 0.00 O ATOM 199 CB THR A 16 -3.140 5.446 -7.664 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.386 4.945 -8.161 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.985 6.909 -8.053 1.00 0.00 C ATOM 0 H THR A 16 -1.932 3.042 -6.823 1.00 0.00 H new ATOM 0 HA THR A 16 -2.009 4.626 -9.307 1.00 0.00 H new ATOM 0 HB THR A 16 -3.127 5.372 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.588 4.087 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.820 7.483 -7.651 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.050 7.296 -7.648 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.974 6.997 -9.139 1.00 0.00 H new ATOM 209 N ASP A 17 0.186 5.597 -8.694 1.00 0.00 N ATOM 210 CA ASP A 17 1.478 6.191 -8.372 1.00 0.00 C ATOM 211 C ASP A 17 1.305 7.597 -7.806 1.00 0.00 C ATOM 212 O ASP A 17 0.589 8.422 -8.373 1.00 0.00 O ATOM 213 CB ASP A 17 2.366 6.236 -9.617 1.00 0.00 C ATOM 214 CG ASP A 17 1.593 6.605 -10.867 1.00 0.00 C ATOM 215 OD1 ASP A 17 0.681 7.453 -10.772 1.00 0.00 O ATOM 216 OD2 ASP A 17 1.899 6.046 -11.941 1.00 0.00 O ATOM 0 H ASP A 17 -0.002 5.512 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 17 1.956 5.570 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.167 6.959 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.837 5.263 -9.759 1.00 0.00 H new ATOM 221 N PHE A 18 1.963 7.862 -6.683 1.00 0.00 N ATOM 222 CA PHE A 18 1.880 9.167 -6.038 1.00 0.00 C ATOM 223 C PHE A 18 3.270 9.689 -5.685 1.00 0.00 C ATOM 224 O PHE A 18 3.961 9.127 -4.834 1.00 0.00 O ATOM 225 CB PHE A 18 1.020 9.082 -4.775 1.00 0.00 C ATOM 226 CG PHE A 18 1.299 10.177 -3.785 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.261 10.011 -2.802 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.598 11.371 -3.838 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.518 11.017 -1.889 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.852 12.381 -2.928 1.00 0.00 C ATOM 231 CZ PHE A 18 1.814 12.203 -1.953 1.00 0.00 C ATOM 0 H PHE A 18 2.560 7.190 -6.200 1.00 0.00 H new ATOM 0 HA PHE A 18 1.417 9.861 -6.739 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.032 9.119 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.188 8.118 -4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.816 9.086 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.155 11.515 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.269 10.875 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.299 13.307 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.015 12.990 -1.242 1.00 0.00 H new ATOM 241 N THR A 19 3.676 10.769 -6.347 1.00 0.00 N ATOM 242 CA THR A 19 4.983 11.367 -6.106 1.00 0.00 C ATOM 243 C THR A 19 4.857 12.664 -5.315 1.00 0.00 C ATOM 244 O THR A 19 4.506 13.715 -5.852 1.00 0.00 O ATOM 245 CB THR A 19 5.721 11.654 -7.427 1.00 0.00 C ATOM 246 OG1 THR A 19 5.848 10.448 -8.189 1.00 0.00 O ATOM 247 CG2 THR A 19 7.100 12.239 -7.160 1.00 0.00 C ATOM 0 H THR A 19 3.118 11.247 -7.054 1.00 0.00 H new ATOM 0 HA THR A 19 5.559 10.646 -5.526 1.00 0.00 H new ATOM 0 HB THR A 19 5.139 12.381 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.317 10.639 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.602 12.433 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.998 13.172 -6.605 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.688 11.532 -6.576 1.00 0.00 H new ATOM 255 N PRO A 20 5.150 12.592 -4.008 1.00 0.00 N ATOM 256 CA PRO A 20 5.078 13.753 -3.116 1.00 0.00 C ATOM 257 C PRO A 20 6.172 14.775 -3.405 1.00 0.00 C ATOM 258 O PRO A 20 7.023 14.560 -4.268 1.00 0.00 O ATOM 259 CB PRO A 20 5.270 13.143 -1.725 1.00 0.00 C ATOM 260 CG PRO A 20 6.033 11.886 -1.964 1.00 0.00 C ATOM 261 CD PRO A 20 5.575 11.372 -3.301 1.00 0.00 C ATOM 0 HA PRO A 20 4.142 14.299 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.817 13.819 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.312 12.940 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.106 12.075 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.839 11.156 -1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.378 10.859 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.756 10.661 -3.199 1.00 0.00 H new ATOM 269 N SER A 21 6.143 15.887 -2.677 1.00 0.00 N ATOM 270 CA SER A 21 7.131 16.944 -2.858 1.00 0.00 C ATOM 271 C SER A 21 8.534 16.437 -2.539 1.00 0.00 C ATOM 272 O SER A 21 8.723 15.515 -1.746 1.00 0.00 O ATOM 273 CB SER A 21 6.795 18.143 -1.969 1.00 0.00 C ATOM 274 OG SER A 21 7.298 17.961 -0.656 1.00 0.00 O ATOM 0 H SER A 21 5.447 16.079 -1.957 1.00 0.00 H new ATOM 0 HA SER A 21 7.105 17.256 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.218 19.050 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.714 18.281 -1.932 1.00 0.00 H new ATOM 0 HG SER A 21 7.072 18.741 -0.108 1.00 0.00 H new ATOM 280 N PRO A 22 9.543 17.055 -3.171 1.00 0.00 N ATOM 281 CA PRO A 22 10.948 16.684 -2.971 1.00 0.00 C ATOM 282 C PRO A 22 11.455 17.063 -1.584 1.00 0.00 C ATOM 283 O PRO A 22 12.446 16.513 -1.103 1.00 0.00 O ATOM 284 CB PRO A 22 11.683 17.487 -4.047 1.00 0.00 C ATOM 285 CG PRO A 22 10.799 18.655 -4.318 1.00 0.00 C ATOM 286 CD PRO A 22 9.391 18.162 -4.130 1.00 0.00 C ATOM 0 HA PRO A 22 11.100 15.607 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.666 17.806 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.840 16.892 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.019 19.477 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.949 19.031 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.740 18.945 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.955 17.823 -5.070 1.00 0.00 H new ATOM 294 N TYR A 23 10.770 18.005 -0.945 1.00 0.00 N ATOM 295 CA TYR A 23 11.153 18.459 0.386 1.00 0.00 C ATOM 296 C TYR A 23 10.594 17.530 1.460 1.00 0.00 C ATOM 297 O TYR A 23 11.211 17.330 2.506 1.00 0.00 O ATOM 298 CB TYR A 23 10.659 19.887 0.623 1.00 0.00 C ATOM 299 CG TYR A 23 10.888 20.809 -0.553 1.00 0.00 C ATOM 300 CD1 TYR A 23 10.015 20.819 -1.634 1.00 0.00 C ATOM 301 CD2 TYR A 23 11.977 21.673 -0.582 1.00 0.00 C ATOM 302 CE1 TYR A 23 10.221 21.660 -2.710 1.00 0.00 C ATOM 303 CE2 TYR A 23 12.189 22.518 -1.654 1.00 0.00 C ATOM 304 CZ TYR A 23 11.309 22.507 -2.716 1.00 0.00 C ATOM 305 OH TYR A 23 11.517 23.347 -3.786 1.00 0.00 O ATOM 0 H TYR A 23 9.946 18.469 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 23 12.241 18.444 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.594 19.861 0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.163 20.296 1.499 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.161 20.158 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.669 21.684 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.533 21.654 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.039 23.184 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 23 12.326 23.878 -3.632 1.00 0.00 H new ATOM 315 N ASP A 24 9.421 16.966 1.192 1.00 0.00 N ATOM 316 CA ASP A 24 8.777 16.057 2.133 1.00 0.00 C ATOM 317 C ASP A 24 9.289 14.632 1.949 1.00 0.00 C ATOM 318 O ASP A 24 8.908 13.941 1.003 1.00 0.00 O ATOM 319 CB ASP A 24 7.259 16.095 1.954 1.00 0.00 C ATOM 320 CG ASP A 24 6.517 15.676 3.208 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.812 14.584 3.735 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.641 16.442 3.662 1.00 0.00 O ATOM 0 H ASP A 24 8.897 17.122 0.331 1.00 0.00 H new ATOM 0 HA ASP A 24 9.024 16.384 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.954 17.104 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.977 15.438 1.132 1.00 0.00 H new ATOM 327 N THR A 25 10.156 14.197 2.858 1.00 0.00 N ATOM 328 CA THR A 25 10.722 12.856 2.795 1.00 0.00 C ATOM 329 C THR A 25 9.850 11.855 3.544 1.00 0.00 C ATOM 330 O THR A 25 9.966 10.645 3.346 1.00 0.00 O ATOM 331 CB THR A 25 12.146 12.818 3.381 1.00 0.00 C ATOM 332 OG1 THR A 25 12.632 11.472 3.401 1.00 0.00 O ATOM 333 CG2 THR A 25 12.166 13.391 4.790 1.00 0.00 C ATOM 0 H THR A 25 10.482 14.755 3.647 1.00 0.00 H new ATOM 0 HA THR A 25 10.764 12.581 1.741 1.00 0.00 H new ATOM 0 HB THR A 25 12.792 13.427 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.538 11.457 3.774 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.182 13.354 5.184 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.823 14.425 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.507 12.805 5.431 1.00 0.00 H new ATOM 341 N ASP A 26 8.976 12.367 4.404 1.00 0.00 N ATOM 342 CA ASP A 26 8.082 11.517 5.182 1.00 0.00 C ATOM 343 C ASP A 26 7.173 10.703 4.267 1.00 0.00 C ATOM 344 O ASP A 26 7.105 9.478 4.373 1.00 0.00 O ATOM 345 CB ASP A 26 7.239 12.366 6.135 1.00 0.00 C ATOM 346 CG ASP A 26 8.026 13.510 6.743 1.00 0.00 C ATOM 347 OD1 ASP A 26 9.139 13.260 7.252 1.00 0.00 O ATOM 348 OD2 ASP A 26 7.530 14.655 6.708 1.00 0.00 O ATOM 0 H ASP A 26 8.868 13.366 4.580 1.00 0.00 H new ATOM 0 HA ASP A 26 8.692 10.827 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.380 12.766 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.849 11.733 6.932 1.00 0.00 H new ATOM 353 N SER A 27 6.475 11.391 3.370 1.00 0.00 N ATOM 354 CA SER A 27 5.566 10.732 2.439 1.00 0.00 C ATOM 355 C SER A 27 6.330 9.805 1.498 1.00 0.00 C ATOM 356 O SER A 27 7.073 10.260 0.628 1.00 0.00 O ATOM 357 CB SER A 27 4.789 11.772 1.629 1.00 0.00 C ATOM 358 OG SER A 27 3.710 12.301 2.380 1.00 0.00 O ATOM 0 H SER A 27 6.521 12.405 3.268 1.00 0.00 H new ATOM 0 HA SER A 27 4.863 10.134 3.019 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.458 12.579 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.410 11.316 0.714 1.00 0.00 H new ATOM 0 HG SER A 27 3.230 12.964 1.841 1.00 0.00 H new ATOM 364 N LEU A 28 6.141 8.503 1.680 1.00 0.00 N ATOM 365 CA LEU A 28 6.811 7.509 0.848 1.00 0.00 C ATOM 366 C LEU A 28 6.372 7.632 -0.607 1.00 0.00 C ATOM 367 O LEU A 28 5.250 8.048 -0.896 1.00 0.00 O ATOM 368 CB LEU A 28 6.517 6.100 1.365 1.00 0.00 C ATOM 369 CG LEU A 28 6.882 5.831 2.825 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.334 4.484 3.273 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.391 5.885 3.016 1.00 0.00 C ATOM 0 H LEU A 28 5.530 8.111 2.396 1.00 0.00 H new ATOM 0 HA LEU A 28 7.884 7.691 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.453 5.902 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.053 5.386 0.740 1.00 0.00 H new ATOM 0 HG LEU A 28 6.430 6.608 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.604 4.310 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.249 4.482 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.757 3.694 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.633 5.691 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.864 5.130 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.758 6.872 2.736 1.00 0.00 H new ATOM 383 N LYS A 29 7.263 7.265 -1.522 1.00 0.00 N ATOM 384 CA LYS A 29 6.968 7.329 -2.948 1.00 0.00 C ATOM 385 C LYS A 29 6.203 6.090 -3.402 1.00 0.00 C ATOM 386 O LYS A 29 6.684 4.965 -3.262 1.00 0.00 O ATOM 387 CB LYS A 29 8.262 7.466 -3.753 1.00 0.00 C ATOM 388 CG LYS A 29 8.047 7.961 -5.172 1.00 0.00 C ATOM 389 CD LYS A 29 9.299 8.615 -5.731 1.00 0.00 C ATOM 390 CE LYS A 29 9.385 8.456 -7.241 1.00 0.00 C ATOM 391 NZ LYS A 29 10.528 9.219 -7.815 1.00 0.00 N ATOM 0 H LYS A 29 8.197 6.920 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 29 6.344 8.205 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.931 8.153 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.763 6.498 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.756 7.126 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.224 8.676 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.302 9.675 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.180 8.172 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.492 7.400 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.455 8.798 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.552 9.085 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.413 10.230 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.418 8.876 -7.400 1.00 0.00 H new ATOM 405 N LEU A 30 5.010 6.303 -3.947 1.00 0.00 N ATOM 406 CA LEU A 30 4.179 5.203 -4.424 1.00 0.00 C ATOM 407 C LEU A 30 4.255 5.081 -5.942 1.00 0.00 C ATOM 408 O LEU A 30 4.155 6.076 -6.661 1.00 0.00 O ATOM 409 CB LEU A 30 2.727 5.409 -3.989 1.00 0.00 C ATOM 410 CG LEU A 30 2.506 5.700 -2.504 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.035 5.968 -2.225 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.010 4.544 -1.653 1.00 0.00 C ATOM 0 H LEU A 30 4.597 7.227 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 30 4.556 4.279 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.309 6.234 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.160 4.516 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 30 3.073 6.593 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.897 6.173 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.705 6.829 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.446 5.094 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.845 4.769 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.471 3.634 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.076 4.399 -1.830 1.00 0.00 H new ATOM 424 N LYS A 31 4.430 3.856 -6.424 1.00 0.00 N ATOM 425 CA LYS A 31 4.515 3.602 -7.858 1.00 0.00 C ATOM 426 C LYS A 31 3.663 2.399 -8.249 1.00 0.00 C ATOM 427 O LYS A 31 3.506 1.457 -7.472 1.00 0.00 O ATOM 428 CB LYS A 31 5.970 3.365 -8.269 1.00 0.00 C ATOM 429 CG LYS A 31 6.183 3.352 -9.773 1.00 0.00 C ATOM 430 CD LYS A 31 7.540 3.921 -10.149 1.00 0.00 C ATOM 431 CE LYS A 31 8.645 2.891 -9.976 1.00 0.00 C ATOM 432 NZ LYS A 31 8.598 1.844 -11.034 1.00 0.00 N ATOM 0 H LYS A 31 4.516 3.022 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 31 4.134 4.480 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.594 4.143 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.305 2.414 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.100 2.330 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.397 3.932 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.518 4.262 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.754 4.793 -9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.614 3.390 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.554 2.422 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.494 1.316 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.812 1.190 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.455 2.293 -11.961 1.00 0.00 H new ATOM 446 N LYS A 32 3.115 2.436 -9.459 1.00 0.00 N ATOM 447 CA LYS A 32 2.281 1.348 -9.956 1.00 0.00 C ATOM 448 C LYS A 32 3.045 0.028 -9.945 1.00 0.00 C ATOM 449 O LYS A 32 3.924 -0.198 -10.776 1.00 0.00 O ATOM 450 CB LYS A 32 1.795 1.657 -11.373 1.00 0.00 C ATOM 451 CG LYS A 32 0.535 0.903 -11.762 1.00 0.00 C ATOM 452 CD LYS A 32 0.042 1.314 -13.140 1.00 0.00 C ATOM 453 CE LYS A 32 -1.468 1.174 -13.256 1.00 0.00 C ATOM 454 NZ LYS A 32 -2.179 2.365 -12.714 1.00 0.00 N ATOM 0 H LYS A 32 3.234 3.209 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 32 1.419 1.254 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.609 2.728 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.587 1.414 -12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.733 -0.169 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.245 1.091 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.329 2.347 -13.337 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.525 0.699 -13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.740 1.033 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.792 0.282 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.138 2.409 -13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.239 2.292 -11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.657 3.227 -12.971 1.00 0.00 H new ATOM 468 N GLY A 33 2.703 -0.841 -8.999 1.00 0.00 N ATOM 469 CA GLY A 33 3.366 -2.128 -8.899 1.00 0.00 C ATOM 470 C GLY A 33 4.403 -2.162 -7.794 1.00 0.00 C ATOM 471 O GLY A 33 5.529 -2.613 -8.003 1.00 0.00 O ATOM 0 H GLY A 33 1.979 -0.677 -8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.622 -2.904 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.845 -2.361 -9.850 1.00 0.00 H new ATOM 475 N ASP A 34 4.024 -1.683 -6.614 1.00 0.00 N ATOM 476 CA ASP A 34 4.929 -1.660 -5.471 1.00 0.00 C ATOM 477 C ASP A 34 4.247 -2.218 -4.226 1.00 0.00 C ATOM 478 O ASP A 34 3.122 -1.837 -3.900 1.00 0.00 O ATOM 479 CB ASP A 34 5.415 -0.234 -5.207 1.00 0.00 C ATOM 480 CG ASP A 34 6.289 0.297 -6.326 1.00 0.00 C ATOM 481 OD1 ASP A 34 5.987 0.009 -7.502 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.277 0.999 -6.024 1.00 0.00 O ATOM 0 H ASP A 34 3.096 -1.305 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 34 5.787 -2.290 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.554 0.422 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.974 -0.211 -4.272 1.00 0.00 H new ATOM 487 N ILE A 35 4.935 -3.121 -3.535 1.00 0.00 N ATOM 488 CA ILE A 35 4.395 -3.730 -2.327 1.00 0.00 C ATOM 489 C ILE A 35 4.759 -2.915 -1.090 1.00 0.00 C ATOM 490 O ILE A 35 5.890 -2.449 -0.953 1.00 0.00 O ATOM 491 CB ILE A 35 4.906 -5.172 -2.146 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.595 -6.006 -3.390 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.285 -5.803 -0.909 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.141 -5.953 -3.805 1.00 0.00 C ATOM 0 H ILE A 35 5.867 -3.446 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 35 3.311 -3.749 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 35 5.987 -5.144 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.213 -5.656 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.873 -7.043 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.656 -6.822 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.553 -5.218 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.200 -5.822 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.994 -6.567 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.517 -6.331 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.863 -4.922 -4.026 1.00 0.00 H new ATOM 506 N ILE A 36 3.793 -2.749 -0.193 1.00 0.00 N ATOM 507 CA ILE A 36 4.013 -1.993 1.034 1.00 0.00 C ATOM 508 C ILE A 36 3.581 -2.793 2.258 1.00 0.00 C ATOM 509 O ILE A 36 2.407 -3.130 2.409 1.00 0.00 O ATOM 510 CB ILE A 36 3.251 -0.655 1.014 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.681 0.185 -0.190 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.486 0.108 2.310 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.768 1.359 -0.466 1.00 0.00 C ATOM 0 H ILE A 36 2.851 -3.127 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 36 5.083 -1.792 1.094 1.00 0.00 H new ATOM 0 HB ILE A 36 2.185 -0.863 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.693 0.554 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.716 -0.453 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.941 1.051 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.134 -0.488 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.551 0.308 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.134 1.909 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.760 0.997 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.751 2.019 0.402 1.00 0.00 H new ATOM 525 N ASP A 37 4.538 -3.092 3.130 1.00 0.00 N ATOM 526 CA ASP A 37 4.256 -3.851 4.343 1.00 0.00 C ATOM 527 C ASP A 37 3.502 -2.995 5.356 1.00 0.00 C ATOM 528 O ASP A 37 4.088 -2.140 6.019 1.00 0.00 O ATOM 529 CB ASP A 37 5.557 -4.366 4.961 1.00 0.00 C ATOM 530 CG ASP A 37 5.949 -5.731 4.429 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.804 -5.957 3.209 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.403 -6.572 5.232 1.00 0.00 O ATOM 0 H ASP A 37 5.515 -2.821 3.020 1.00 0.00 H new ATOM 0 HA ASP A 37 3.629 -4.701 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.359 -3.656 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.445 -4.419 6.044 1.00 0.00 H new ATOM 537 N ILE A 38 2.199 -3.231 5.468 1.00 0.00 N ATOM 538 CA ILE A 38 1.365 -2.482 6.400 1.00 0.00 C ATOM 539 C ILE A 38 1.705 -2.832 7.845 1.00 0.00 C ATOM 540 O ILE A 38 1.319 -3.888 8.346 1.00 0.00 O ATOM 541 CB ILE A 38 -0.132 -2.751 6.157 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.499 -2.441 4.705 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.980 -1.925 7.112 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.911 -2.842 4.339 1.00 0.00 C ATOM 0 H ILE A 38 1.698 -3.935 4.925 1.00 0.00 H new ATOM 0 HA ILE A 38 1.569 -1.425 6.227 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.332 -3.806 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.376 -1.373 4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.199 -2.956 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.035 -2.126 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.734 -2.191 8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.779 -0.865 6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.101 -2.592 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.033 -3.915 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.617 -2.308 4.974 1.00 0.00 H new ATOM 556 N ILE A 39 2.427 -1.936 8.510 1.00 0.00 N ATOM 557 CA ILE A 39 2.816 -2.149 9.899 1.00 0.00 C ATOM 558 C ILE A 39 1.672 -1.810 10.848 1.00 0.00 C ATOM 559 O ILE A 39 1.478 -2.476 11.865 1.00 0.00 O ATOM 560 CB ILE A 39 4.047 -1.302 10.274 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.180 -1.537 9.273 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.505 -1.631 11.687 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.274 -0.495 9.343 1.00 0.00 C ATOM 0 H ILE A 39 2.754 -1.057 8.110 1.00 0.00 H new ATOM 0 HA ILE A 39 3.067 -3.205 9.999 1.00 0.00 H new ATOM 0 HB ILE A 39 3.769 -0.249 10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.614 -2.521 9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.766 -1.550 8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.375 -1.025 11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.699 -1.417 12.390 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.769 -2.687 11.747 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.043 -0.725 8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.854 0.489 9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.715 -0.497 10.340 1.00 0.00 H new ATOM 575 N SER A 40 0.915 -0.772 10.508 1.00 0.00 N ATOM 576 CA SER A 40 -0.210 -0.344 11.331 1.00 0.00 C ATOM 577 C SER A 40 -1.251 0.388 10.489 1.00 0.00 C ATOM 578 O SER A 40 -0.955 1.403 9.858 1.00 0.00 O ATOM 579 CB SER A 40 0.276 0.563 12.464 1.00 0.00 C ATOM 580 OG SER A 40 -0.694 0.656 13.493 1.00 0.00 O ATOM 0 H SER A 40 1.060 -0.212 9.668 1.00 0.00 H new ATOM 0 HA SER A 40 -0.674 -1.232 11.760 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.208 0.173 12.872 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.491 1.557 12.072 1.00 0.00 H new ATOM 0 HG SER A 40 -0.360 1.239 14.206 1.00 0.00 H new ATOM 586 N LYS A 41 -2.473 -0.134 10.485 1.00 0.00 N ATOM 587 CA LYS A 41 -3.560 0.468 9.723 1.00 0.00 C ATOM 588 C LYS A 41 -4.676 0.941 10.649 1.00 0.00 C ATOM 589 O LYS A 41 -5.489 0.154 11.134 1.00 0.00 O ATOM 590 CB LYS A 41 -4.115 -0.534 8.708 1.00 0.00 C ATOM 591 CG LYS A 41 -4.549 -1.851 9.329 1.00 0.00 C ATOM 592 CD LYS A 41 -4.705 -2.937 8.278 1.00 0.00 C ATOM 593 CE LYS A 41 -5.992 -2.765 7.485 1.00 0.00 C ATOM 594 NZ LYS A 41 -6.221 -3.899 6.547 1.00 0.00 N ATOM 0 H LYS A 41 -2.735 -0.974 11.002 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.162 1.332 9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.966 -0.086 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.355 -0.731 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.815 -2.164 10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.494 -1.713 9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.852 -2.913 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.701 -3.915 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.834 -2.686 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.951 -1.832 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.107 -3.745 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.430 -3.959 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.286 -4.787 7.085 1.00 0.00 H new ATOM 608 N PRO A 42 -4.720 2.258 10.900 1.00 0.00 N ATOM 609 CA PRO A 42 -5.733 2.865 11.768 1.00 0.00 C ATOM 610 C PRO A 42 -7.123 2.840 11.142 1.00 0.00 C ATOM 611 O PRO A 42 -7.293 2.530 9.963 1.00 0.00 O ATOM 612 CB PRO A 42 -5.245 4.308 11.928 1.00 0.00 C ATOM 613 CG PRO A 42 -4.427 4.568 10.710 1.00 0.00 C ATOM 614 CD PRO A 42 -3.783 3.256 10.356 1.00 0.00 C ATOM 0 HA PRO A 42 -5.836 2.328 12.711 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.081 5.003 11.999 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.653 4.428 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.049 4.930 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.675 5.333 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.660 3.146 9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.792 3.162 10.801 1.00 0.00 H new ATOM 622 N PRO A 43 -8.142 3.173 11.948 1.00 0.00 N ATOM 623 CA PRO A 43 -9.536 3.197 11.493 1.00 0.00 C ATOM 624 C PRO A 43 -9.808 4.335 10.515 1.00 0.00 C ATOM 625 O PRO A 43 -10.765 4.288 9.744 1.00 0.00 O ATOM 626 CB PRO A 43 -10.328 3.402 12.787 1.00 0.00 C ATOM 627 CG PRO A 43 -9.377 4.085 13.708 1.00 0.00 C ATOM 628 CD PRO A 43 -8.013 3.554 13.364 1.00 0.00 C ATOM 0 HA PRO A 43 -9.804 2.289 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.217 4.008 12.615 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.665 2.451 13.200 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.418 5.167 13.580 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.625 3.878 14.749 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.240 4.309 13.508 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.745 2.701 13.987 1.00 0.00 H new ATOM 636 N MET A 44 -8.959 5.357 10.554 1.00 0.00 N ATOM 637 CA MET A 44 -9.107 6.507 9.669 1.00 0.00 C ATOM 638 C MET A 44 -7.845 7.362 9.673 1.00 0.00 C ATOM 639 O MET A 44 -6.993 7.226 10.550 1.00 0.00 O ATOM 640 CB MET A 44 -10.311 7.351 10.093 1.00 0.00 C ATOM 641 CG MET A 44 -10.174 7.950 11.484 1.00 0.00 C ATOM 642 SD MET A 44 -11.674 8.786 12.031 1.00 0.00 S ATOM 643 CE MET A 44 -12.717 7.385 12.427 1.00 0.00 C ATOM 0 H MET A 44 -8.162 5.412 11.188 1.00 0.00 H new ATOM 0 HA MET A 44 -9.270 6.137 8.657 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.452 8.156 9.372 1.00 0.00 H new ATOM 0 HB3 MET A 44 -11.208 6.732 10.059 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.924 7.160 12.192 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.345 8.658 11.490 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.646 7.452 11.861 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.200 6.461 12.167 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.941 7.388 13.494 1.00 0.00 H new ATOM 653 N GLY A 45 -7.730 8.245 8.685 1.00 0.00 N ATOM 654 CA GLY A 45 -6.568 9.110 8.594 1.00 0.00 C ATOM 655 C GLY A 45 -5.523 8.577 7.633 1.00 0.00 C ATOM 656 O GLY A 45 -5.836 8.229 6.493 1.00 0.00 O ATOM 0 H GLY A 45 -8.421 8.377 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.882 10.103 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.124 9.222 9.583 1.00 0.00 H new ATOM 660 N THR A 46 -4.277 8.513 8.091 1.00 0.00 N ATOM 661 CA THR A 46 -3.183 8.022 7.264 1.00 0.00 C ATOM 662 C THR A 46 -2.700 6.658 7.744 1.00 0.00 C ATOM 663 O THR A 46 -2.909 6.286 8.899 1.00 0.00 O ATOM 664 CB THR A 46 -1.995 9.003 7.262 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.467 10.343 7.083 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.008 8.656 6.158 1.00 0.00 C ATOM 0 H THR A 46 -4.001 8.796 9.031 1.00 0.00 H new ATOM 0 HA THR A 46 -3.571 7.931 6.249 1.00 0.00 H new ATOM 0 HB THR A 46 -1.485 8.923 8.222 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.706 10.961 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.178 9.362 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.628 7.646 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.509 8.710 5.192 1.00 0.00 H new ATOM 674 N TRP A 47 -2.053 5.917 6.851 1.00 0.00 N ATOM 675 CA TRP A 47 -1.539 4.594 7.185 1.00 0.00 C ATOM 676 C TRP A 47 -0.019 4.614 7.306 1.00 0.00 C ATOM 677 O TRP A 47 0.628 5.595 6.940 1.00 0.00 O ATOM 678 CB TRP A 47 -1.965 3.576 6.126 1.00 0.00 C ATOM 679 CG TRP A 47 -3.396 3.147 6.256 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.375 3.769 6.976 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.005 2.002 5.650 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.558 3.079 6.855 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.357 1.992 6.046 1.00 0.00 C ATOM 684 CE3 TRP A 47 -3.542 0.986 4.811 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.247 1.004 5.631 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.425 0.006 4.400 1.00 0.00 C ATOM 687 CH2 TRP A 47 -5.765 0.021 4.809 1.00 0.00 C ATOM 0 H TRP A 47 -1.872 6.210 5.891 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.957 4.302 8.148 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.810 4.006 5.136 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.322 2.699 6.196 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.240 4.670 7.555 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.442 3.335 7.296 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.511 0.967 4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.280 1.013 5.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.076 -0.785 3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.431 -0.758 4.469 1.00 0.00 H new ATOM 698 N MET A 48 0.544 3.526 7.820 1.00 0.00 N ATOM 699 CA MET A 48 1.989 3.419 7.987 1.00 0.00 C ATOM 700 C MET A 48 2.494 2.064 7.503 1.00 0.00 C ATOM 701 O MET A 48 1.856 1.036 7.730 1.00 0.00 O ATOM 702 CB MET A 48 2.371 3.625 9.454 1.00 0.00 C ATOM 703 CG MET A 48 3.862 3.488 9.718 1.00 0.00 C ATOM 704 SD MET A 48 4.258 3.487 11.477 1.00 0.00 S ATOM 705 CE MET A 48 4.502 5.237 11.770 1.00 0.00 C ATOM 0 H MET A 48 0.022 2.706 8.128 1.00 0.00 H new ATOM 0 HA MET A 48 2.458 4.197 7.384 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.044 4.615 9.771 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.834 2.901 10.066 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.223 2.564 9.268 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.390 4.308 9.231 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.754 5.399 12.818 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.314 5.602 11.141 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.586 5.777 11.530 1.00 0.00 H new ATOM 715 N GLY A 49 3.644 2.069 6.835 1.00 0.00 N ATOM 716 CA GLY A 49 4.214 0.833 6.330 1.00 0.00 C ATOM 717 C GLY A 49 5.662 0.991 5.913 1.00 0.00 C ATOM 718 O GLY A 49 6.151 2.110 5.749 1.00 0.00 O ATOM 0 H GLY A 49 4.191 2.906 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.142 0.063 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.629 0.488 5.477 1.00 0.00 H new ATOM 722 N LEU A 50 6.353 -0.131 5.743 1.00 0.00 N ATOM 723 CA LEU A 50 7.756 -0.113 5.345 1.00 0.00 C ATOM 724 C LEU A 50 7.903 -0.404 3.855 1.00 0.00 C ATOM 725 O LEU A 50 7.278 -1.325 3.327 1.00 0.00 O ATOM 726 CB LEU A 50 8.551 -1.137 6.157 1.00 0.00 C ATOM 727 CG LEU A 50 10.045 -1.228 5.844 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.801 -0.095 6.520 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.599 -2.577 6.280 1.00 0.00 C ATOM 0 H LEU A 50 5.964 -1.065 5.875 1.00 0.00 H new ATOM 0 HA LEU A 50 8.151 0.883 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.436 -0.901 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.107 -2.120 6.000 1.00 0.00 H new ATOM 0 HG LEU A 50 10.178 -1.134 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.863 -0.176 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.422 0.861 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.661 -0.157 7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.663 -2.625 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.454 -2.700 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.077 -3.373 5.750 1.00 0.00 H new ATOM 741 N LEU A 51 8.733 0.385 3.182 1.00 0.00 N ATOM 742 CA LEU A 51 8.964 0.211 1.752 1.00 0.00 C ATOM 743 C LEU A 51 10.421 0.490 1.398 1.00 0.00 C ATOM 744 O LEU A 51 10.884 1.626 1.482 1.00 0.00 O ATOM 745 CB LEU A 51 8.047 1.136 0.950 1.00 0.00 C ATOM 746 CG LEU A 51 8.366 1.272 -0.539 1.00 0.00 C ATOM 747 CD1 LEU A 51 8.164 -0.056 -1.251 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.505 2.356 -1.172 1.00 0.00 C ATOM 0 H LEU A 51 9.257 1.152 3.603 1.00 0.00 H new ATOM 0 HA LEU A 51 8.739 -0.824 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.023 0.776 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.081 2.128 1.400 1.00 0.00 H new ATOM 0 HG LEU A 51 9.412 1.561 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.396 0.060 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.824 -0.806 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.128 -0.375 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.745 2.439 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.452 2.097 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.700 3.309 -0.680 1.00 0.00 H new ATOM 760 N ASN A 52 11.138 -0.556 0.999 1.00 0.00 N ATOM 761 CA ASN A 52 12.543 -0.424 0.630 1.00 0.00 C ATOM 762 C ASN A 52 13.374 0.057 1.817 1.00 0.00 C ATOM 763 O ASN A 52 14.209 0.950 1.681 1.00 0.00 O ATOM 764 CB ASN A 52 12.695 0.550 -0.540 1.00 0.00 C ATOM 765 CG ASN A 52 12.333 -0.084 -1.870 1.00 0.00 C ATOM 766 OD1 ASN A 52 13.024 -0.982 -2.351 1.00 0.00 O ATOM 767 ND2 ASN A 52 11.244 0.382 -2.470 1.00 0.00 N ATOM 0 H ASN A 52 10.769 -1.504 0.923 1.00 0.00 H new ATOM 0 HA ASN A 52 12.907 -1.406 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.060 1.420 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.723 0.909 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.950 -0.006 -3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.701 1.128 -2.034 1.00 0.00 H new ATOM 774 N ASN A 53 13.139 -0.544 2.979 1.00 0.00 N ATOM 775 CA ASN A 53 13.866 -0.178 4.189 1.00 0.00 C ATOM 776 C ASN A 53 13.586 1.271 4.574 1.00 0.00 C ATOM 777 O ASN A 53 14.473 1.983 5.045 1.00 0.00 O ATOM 778 CB ASN A 53 15.369 -0.383 3.988 1.00 0.00 C ATOM 779 CG ASN A 53 15.798 -1.812 4.257 1.00 0.00 C ATOM 780 OD1 ASN A 53 16.508 -2.088 5.224 1.00 0.00 O ATOM 781 ND2 ASN A 53 15.369 -2.730 3.398 1.00 0.00 N ATOM 0 H ASN A 53 12.451 -1.286 3.108 1.00 0.00 H new ATOM 0 HA ASN A 53 13.523 -0.823 4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.637 -0.112 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.916 0.289 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.627 -3.709 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.782 -2.456 2.610 1.00 0.00 H new ATOM 788 N LYS A 54 12.345 1.702 4.372 1.00 0.00 N ATOM 789 CA LYS A 54 11.945 3.065 4.700 1.00 0.00 C ATOM 790 C LYS A 54 10.452 3.136 5.005 1.00 0.00 C ATOM 791 O LYS A 54 9.618 2.887 4.134 1.00 0.00 O ATOM 792 CB LYS A 54 12.286 4.010 3.545 1.00 0.00 C ATOM 793 CG LYS A 54 12.123 5.479 3.892 1.00 0.00 C ATOM 794 CD LYS A 54 12.105 6.349 2.646 1.00 0.00 C ATOM 795 CE LYS A 54 12.644 7.742 2.931 1.00 0.00 C ATOM 796 NZ LYS A 54 11.714 8.533 3.783 1.00 0.00 N ATOM 0 H LYS A 54 11.599 1.126 3.982 1.00 0.00 H new ATOM 0 HA LYS A 54 12.494 3.374 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.315 3.831 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.648 3.774 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.197 5.621 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.939 5.792 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.702 5.879 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.086 6.423 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.612 7.663 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.810 8.267 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.237 9.251 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.004 7.900 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.251 9.001 4.541 1.00 0.00 H new ATOM 810 N VAL A 55 10.122 3.479 6.246 1.00 0.00 N ATOM 811 CA VAL A 55 8.730 3.586 6.665 1.00 0.00 C ATOM 812 C VAL A 55 8.326 5.042 6.864 1.00 0.00 C ATOM 813 O VAL A 55 9.128 5.866 7.303 1.00 0.00 O ATOM 814 CB VAL A 55 8.476 2.811 7.971 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.560 3.118 8.994 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.099 3.140 8.527 1.00 0.00 C ATOM 0 H VAL A 55 10.800 3.688 6.979 1.00 0.00 H new ATOM 0 HA VAL A 55 8.126 3.150 5.869 1.00 0.00 H new ATOM 0 HB VAL A 55 8.508 1.744 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.364 2.561 9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.531 2.827 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.563 4.186 9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.937 2.583 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.035 4.209 8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.337 2.864 7.798 1.00 0.00 H new ATOM 826 N GLY A 56 7.075 5.354 6.538 1.00 0.00 N ATOM 827 CA GLY A 56 6.585 6.711 6.689 1.00 0.00 C ATOM 828 C GLY A 56 5.074 6.775 6.792 1.00 0.00 C ATOM 829 O GLY A 56 4.481 6.190 7.700 1.00 0.00 O ATOM 0 H GLY A 56 6.392 4.690 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.026 7.156 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.914 7.309 5.839 1.00 0.00 H new ATOM 833 N THR A 57 4.448 7.488 5.861 1.00 0.00 N ATOM 834 CA THR A 57 2.997 7.628 5.853 1.00 0.00 C ATOM 835 C THR A 57 2.446 7.558 4.433 1.00 0.00 C ATOM 836 O THR A 57 3.101 7.982 3.481 1.00 0.00 O ATOM 837 CB THR A 57 2.557 8.956 6.497 1.00 0.00 C ATOM 838 OG1 THR A 57 3.086 10.060 5.754 1.00 0.00 O ATOM 839 CG2 THR A 57 3.028 9.039 7.942 1.00 0.00 C ATOM 0 H THR A 57 4.923 7.978 5.103 1.00 0.00 H new ATOM 0 HA THR A 57 2.596 6.799 6.437 1.00 0.00 H new ATOM 0 HB THR A 57 1.468 8.998 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.800 10.901 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.706 9.985 8.376 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.600 8.214 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.116 8.977 7.974 1.00 0.00 H new ATOM 847 N PHE A 58 1.238 7.020 4.298 1.00 0.00 N ATOM 848 CA PHE A 58 0.599 6.894 2.994 1.00 0.00 C ATOM 849 C PHE A 58 -0.881 6.554 3.144 1.00 0.00 C ATOM 850 O PHE A 58 -1.304 6.008 4.163 1.00 0.00 O ATOM 851 CB PHE A 58 1.299 5.819 2.161 1.00 0.00 C ATOM 852 CG PHE A 58 1.006 4.419 2.620 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.630 3.898 3.742 1.00 0.00 C ATOM 854 CD2 PHE A 58 0.106 3.624 1.929 1.00 0.00 C ATOM 855 CE1 PHE A 58 1.362 2.611 4.167 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.167 2.336 2.350 1.00 0.00 C ATOM 857 CZ PHE A 58 0.463 1.828 3.469 1.00 0.00 C ATOM 0 H PHE A 58 0.682 6.664 5.076 1.00 0.00 H new ATOM 0 HA PHE A 58 0.683 7.853 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.995 5.922 1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.375 5.987 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.334 4.505 4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.388 4.015 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.855 2.218 5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.873 1.727 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.253 0.821 3.798 1.00 0.00 H new ATOM 867 N LYS A 59 -1.664 6.881 2.121 1.00 0.00 N ATOM 868 CA LYS A 59 -3.096 6.611 2.137 1.00 0.00 C ATOM 869 C LYS A 59 -3.383 5.174 1.713 1.00 0.00 C ATOM 870 O LYS A 59 -2.548 4.522 1.087 1.00 0.00 O ATOM 871 CB LYS A 59 -3.830 7.583 1.210 1.00 0.00 C ATOM 872 CG LYS A 59 -3.771 9.028 1.675 1.00 0.00 C ATOM 873 CD LYS A 59 -4.935 9.367 2.590 1.00 0.00 C ATOM 874 CE LYS A 59 -4.903 10.827 3.015 1.00 0.00 C ATOM 875 NZ LYS A 59 -3.749 11.118 3.911 1.00 0.00 N ATOM 0 H LYS A 59 -1.330 7.334 1.270 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.455 6.750 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.400 7.514 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.873 7.278 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.832 9.204 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.782 9.690 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.874 9.156 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.903 8.729 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.845 11.462 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.832 11.077 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.836 12.084 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.741 10.439 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.863 11.034 3.374 1.00 0.00 H new ATOM 889 N PHE A 60 -4.570 4.686 2.058 1.00 0.00 N ATOM 890 CA PHE A 60 -4.968 3.326 1.713 1.00 0.00 C ATOM 891 C PHE A 60 -5.659 3.289 0.354 1.00 0.00 C ATOM 892 O PHE A 60 -5.533 2.318 -0.393 1.00 0.00 O ATOM 893 CB PHE A 60 -5.897 2.755 2.787 1.00 0.00 C ATOM 894 CG PHE A 60 -6.895 3.751 3.306 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.133 3.891 2.700 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.595 4.547 4.400 1.00 0.00 C ATOM 897 CE1 PHE A 60 -9.054 4.806 3.175 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.512 5.463 4.880 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.742 5.593 4.266 1.00 0.00 C ATOM 0 H PHE A 60 -5.273 5.212 2.576 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.068 2.714 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.431 1.898 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.296 2.388 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.382 3.278 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.634 4.451 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.016 4.905 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.267 6.076 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.459 6.309 4.639 1.00 0.00 H new ATOM 909 N ILE A 61 -6.390 4.354 0.040 1.00 0.00 N ATOM 910 CA ILE A 61 -7.102 4.444 -1.229 1.00 0.00 C ATOM 911 C ILE A 61 -6.157 4.223 -2.405 1.00 0.00 C ATOM 912 O ILE A 61 -6.583 3.830 -3.491 1.00 0.00 O ATOM 913 CB ILE A 61 -7.793 5.811 -1.390 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.773 6.943 -1.256 1.00 0.00 C ATOM 915 CG2 ILE A 61 -8.904 5.967 -0.362 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.354 8.315 -1.518 1.00 0.00 C ATOM 0 H ILE A 61 -6.505 5.166 0.647 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.860 3.661 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.235 5.863 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.350 6.922 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.953 6.766 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.383 6.938 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.642 5.177 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.484 5.898 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.574 9.068 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.752 8.354 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.155 8.513 -0.806 1.00 0.00 H new ATOM 928 N TYR A 62 -4.873 4.477 -2.181 1.00 0.00 N ATOM 929 CA TYR A 62 -3.867 4.306 -3.223 1.00 0.00 C ATOM 930 C TYR A 62 -3.464 2.841 -3.357 1.00 0.00 C ATOM 931 O TYR A 62 -3.030 2.398 -4.420 1.00 0.00 O ATOM 932 CB TYR A 62 -2.635 5.159 -2.916 1.00 0.00 C ATOM 933 CG TYR A 62 -2.934 6.637 -2.804 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.863 7.244 -3.641 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.289 7.426 -1.860 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.139 8.594 -3.542 1.00 0.00 C ATOM 937 CE2 TYR A 62 -2.560 8.777 -1.753 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.485 9.356 -2.596 1.00 0.00 C ATOM 939 OH TYR A 62 -3.758 10.701 -2.493 1.00 0.00 O ATOM 0 H TYR A 62 -4.504 4.802 -1.287 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.301 4.632 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.189 4.815 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.893 5.005 -3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.378 6.650 -4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.563 6.976 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.863 9.050 -4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.050 9.376 -1.013 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.214 11.091 -1.777 1.00 0.00 H new ATOM 949 N VAL A 63 -3.613 2.091 -2.269 1.00 0.00 N ATOM 950 CA VAL A 63 -3.267 0.675 -2.263 1.00 0.00 C ATOM 951 C VAL A 63 -4.503 -0.192 -2.051 1.00 0.00 C ATOM 952 O VAL A 63 -5.295 0.051 -1.140 1.00 0.00 O ATOM 953 CB VAL A 63 -2.234 0.354 -1.166 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.092 1.358 -1.198 1.00 0.00 C ATOM 955 CG2 VAL A 63 -2.900 0.333 0.202 1.00 0.00 C ATOM 0 H VAL A 63 -3.971 2.441 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.833 0.451 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.820 -0.636 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.372 1.115 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.600 1.318 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.485 2.361 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.156 0.105 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.342 1.308 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.679 -0.429 0.216 1.00 0.00 H new ATOM 965 N ASP A 64 -4.662 -1.203 -2.898 1.00 0.00 N ATOM 966 CA ASP A 64 -5.802 -2.108 -2.802 1.00 0.00 C ATOM 967 C ASP A 64 -5.510 -3.250 -1.834 1.00 0.00 C ATOM 968 O ASP A 64 -4.755 -4.169 -2.152 1.00 0.00 O ATOM 969 CB ASP A 64 -6.151 -2.669 -4.182 1.00 0.00 C ATOM 970 CG ASP A 64 -7.113 -1.777 -4.943 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.109 -0.554 -4.695 1.00 0.00 O ATOM 972 OD2 ASP A 64 -7.870 -2.304 -5.785 1.00 0.00 O ATOM 0 H ASP A 64 -4.017 -1.417 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.653 -1.543 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.237 -2.792 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.591 -3.659 -4.068 1.00 0.00 H new ATOM 977 N VAL A 65 -6.112 -3.185 -0.651 1.00 0.00 N ATOM 978 CA VAL A 65 -5.916 -4.213 0.364 1.00 0.00 C ATOM 979 C VAL A 65 -6.308 -5.589 -0.164 1.00 0.00 C ATOM 980 O VAL A 65 -7.492 -5.895 -0.312 1.00 0.00 O ATOM 981 CB VAL A 65 -6.733 -3.911 1.634 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.585 -5.038 2.645 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.306 -2.582 2.238 1.00 0.00 C ATOM 0 H VAL A 65 -6.740 -2.431 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.855 -4.212 0.615 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.785 -3.838 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.169 -4.807 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.944 -5.969 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.535 -5.147 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.893 -2.384 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.249 -2.624 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.470 -1.784 1.514 1.00 0.00 H new ATOM 993 N LEU A 66 -5.307 -6.415 -0.448 1.00 0.00 N ATOM 994 CA LEU A 66 -5.547 -7.760 -0.960 1.00 0.00 C ATOM 995 C LEU A 66 -5.954 -8.706 0.165 1.00 0.00 C ATOM 996 O LEU A 66 -5.473 -8.590 1.292 1.00 0.00 O ATOM 997 CB LEU A 66 -4.295 -8.291 -1.660 1.00 0.00 C ATOM 998 CG LEU A 66 -3.685 -7.380 -2.727 1.00 0.00 C ATOM 999 CD1 LEU A 66 -2.221 -7.725 -2.950 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -4.465 -7.488 -4.029 1.00 0.00 C ATOM 0 H LEU A 66 -4.322 -6.177 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.364 -7.708 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.536 -8.489 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.540 -9.247 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.744 -6.350 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.804 -7.067 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.671 -7.595 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.137 -8.761 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.017 -6.833 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.438 -8.518 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.500 -7.190 -3.859 1.00 0.00 H new