USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot 180:sc= 0.512 USER MOD Set 1.2: A 48 THR OG1 : rot -154:sc= 0.78 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.419 (180deg=-1.36!) USER MOD Single : A 16 TYR OH : rot -140:sc= -0.69 USER MOD Single : A 18 ASN : amide:sc= 0.212 K(o=0.21,f=-3.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 97:sc= -1.66! USER MOD Single : A 50 SER OG : rot -61:sc= -0.535 USER MOD Single : A 52 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.9) USER MOD Single : A 54 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.4!) USER MOD Single : A 57 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.5) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 150:sc= 0.156 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -45:sc= 0.669 USER MOD Single : A 73 SER OG : rot -41:sc= 0.314 USER MOD Single : A 76 GLN : amide:sc= -0.0453 X(o=-0.045,f=-0.25) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -120:sc= -1.45 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= 0.096 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 110:sc= -1.14 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.063) USER MOD Single : A 103 ASN : amide:sc= -0.33 K(o=-0.33,f=-8.3!) USER MOD Single : A 105 SER OG : rot 74:sc= 0.658 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.270 4.328 12.082 1.00 0.00 N ATOM 113 CA ALA A 10 -7.058 3.952 11.365 1.00 0.00 C ATOM 114 C ALA A 10 -7.383 3.456 9.962 1.00 0.00 C ATOM 115 O ALA A 10 -8.015 2.414 9.791 1.00 0.00 O ATOM 116 CB ALA A 10 -6.295 2.890 12.140 1.00 0.00 C ATOM 0 HA ALA A 10 -6.430 4.838 11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.392 2.619 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.022 3.281 13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.923 2.008 12.263 1.00 0.00 H new ATOM 122 N LYS A 11 -6.945 4.208 8.957 1.00 0.00 N ATOM 123 CA LYS A 11 -7.189 3.844 7.566 1.00 0.00 C ATOM 124 C LYS A 11 -6.338 2.645 7.158 1.00 0.00 C ATOM 125 O LYS A 11 -5.120 2.643 7.348 1.00 0.00 O ATOM 126 CB LYS A 11 -6.897 5.033 6.647 1.00 0.00 C ATOM 127 CG LYS A 11 -8.010 5.320 5.651 1.00 0.00 C ATOM 128 CD LYS A 11 -8.566 6.724 5.822 1.00 0.00 C ATOM 129 CE LYS A 11 -7.727 7.751 5.080 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.338 9.108 5.128 1.00 0.00 N ATOM 0 H LYS A 11 -6.419 5.073 9.080 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.239 3.568 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.729 5.920 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.973 4.842 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.631 5.199 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.811 4.593 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.592 6.757 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.599 6.977 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.729 7.787 5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.610 7.442 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.735 9.779 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.281 9.080 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.426 9.414 6.118 1.00 0.00 H new ATOM 144 N LYS A 12 -6.985 1.628 6.601 1.00 0.00 N ATOM 145 CA LYS A 12 -6.287 0.423 6.166 1.00 0.00 C ATOM 146 C LYS A 12 -5.874 0.531 4.702 1.00 0.00 C ATOM 147 O LYS A 12 -6.712 0.745 3.824 1.00 0.00 O ATOM 148 CB LYS A 12 -7.175 -0.807 6.368 1.00 0.00 C ATOM 149 CG LYS A 12 -7.114 -1.376 7.776 1.00 0.00 C ATOM 150 CD LYS A 12 -6.015 -2.419 7.908 1.00 0.00 C ATOM 151 CE LYS A 12 -5.362 -2.373 9.281 1.00 0.00 C ATOM 152 NZ LYS A 12 -3.886 -2.203 9.189 1.00 0.00 N ATOM 0 H LYS A 12 -7.992 1.613 6.440 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.387 0.317 6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.207 -0.542 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.878 -1.580 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.939 -0.570 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.075 -1.824 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.432 -3.411 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.260 -2.252 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.787 -1.551 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.588 -3.292 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.508 -1.940 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.452 -3.096 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.665 -1.454 8.502 1.00 0.00 H new ATOM 166 N VAL A 13 -4.579 0.382 4.445 1.00 0.00 N ATOM 167 CA VAL A 13 -4.056 0.462 3.087 1.00 0.00 C ATOM 168 C VAL A 13 -2.971 -0.583 2.854 1.00 0.00 C ATOM 169 O VAL A 13 -2.071 -0.752 3.676 1.00 0.00 O ATOM 170 CB VAL A 13 -3.480 1.859 2.788 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.598 2.883 2.664 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.489 2.270 3.868 1.00 0.00 C ATOM 0 H VAL A 13 -3.873 0.205 5.159 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.892 0.271 2.414 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.950 1.817 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.171 3.864 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.266 2.596 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.158 2.925 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.092 3.259 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.993 2.295 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.671 1.551 3.904 1.00 0.00 H new ATOM 182 N ARG A 14 -3.062 -1.284 1.728 1.00 0.00 N ATOM 183 CA ARG A 14 -2.087 -2.314 1.387 1.00 0.00 C ATOM 184 C ARG A 14 -1.145 -1.829 0.290 1.00 0.00 C ATOM 185 O ARG A 14 -1.578 -1.229 -0.694 1.00 0.00 O ATOM 186 CB ARG A 14 -2.799 -3.590 0.936 1.00 0.00 C ATOM 187 CG ARG A 14 -2.099 -4.865 1.377 1.00 0.00 C ATOM 188 CD ARG A 14 -3.065 -6.037 1.444 1.00 0.00 C ATOM 189 NE ARG A 14 -2.562 -7.114 2.294 1.00 0.00 N ATOM 190 CZ ARG A 14 -3.172 -8.287 2.446 1.00 0.00 C ATOM 191 NH1 ARG A 14 -4.309 -8.538 1.807 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.647 -9.211 3.237 1.00 0.00 N ATOM 0 H ARG A 14 -3.801 -1.157 1.036 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.498 -2.531 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.815 -3.588 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.879 -3.587 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.292 -5.097 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.643 -4.711 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.026 -5.693 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.240 -6.420 0.439 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.691 -6.957 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.718 -7.830 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.773 -9.438 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.774 -9.024 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.116 -10.110 3.353 1.00 0.00 H new ATOM 206 N PHE A 15 0.145 -2.093 0.466 1.00 0.00 N ATOM 207 CA PHE A 15 1.150 -1.683 -0.509 1.00 0.00 C ATOM 208 C PHE A 15 1.891 -2.894 -1.066 1.00 0.00 C ATOM 209 O PHE A 15 2.194 -3.839 -0.337 1.00 0.00 O ATOM 210 CB PHE A 15 2.144 -0.712 0.129 1.00 0.00 C ATOM 211 CG PHE A 15 1.519 0.580 0.576 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.042 1.491 -0.351 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.410 0.880 1.924 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.467 2.680 0.057 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.835 2.067 2.339 1.00 0.00 C ATOM 216 CZ PHE A 15 0.363 2.968 1.403 1.00 0.00 C ATOM 0 H PHE A 15 0.520 -2.589 1.275 1.00 0.00 H new ATOM 0 HA PHE A 15 0.640 -1.181 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.612 -1.195 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.937 -0.494 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.120 1.270 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.778 0.179 2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.100 3.383 -0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.755 2.290 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.087 3.896 1.724 1.00 0.00 H new ATOM 226 N TYR A 16 2.181 -2.861 -2.363 1.00 0.00 N ATOM 227 CA TYR A 16 2.887 -3.956 -3.018 1.00 0.00 C ATOM 228 C TYR A 16 4.134 -3.447 -3.732 1.00 0.00 C ATOM 229 O TYR A 16 4.325 -2.241 -3.889 1.00 0.00 O ATOM 230 CB TYR A 16 1.965 -4.661 -4.015 1.00 0.00 C ATOM 231 CG TYR A 16 0.818 -5.398 -3.362 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.968 -6.708 -2.924 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.416 -4.784 -3.185 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.079 -7.386 -2.328 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.467 -5.456 -2.589 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.294 -6.755 -2.163 1.00 0.00 C ATOM 237 OH TYR A 16 -2.338 -7.426 -1.569 1.00 0.00 O ATOM 0 H TYR A 16 1.938 -2.087 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 16 3.194 -4.668 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.563 -3.923 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.552 -5.367 -4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.918 -7.205 -3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.556 -3.766 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.054 -8.404 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.420 -4.965 -2.458 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.172 -7.212 -2.036 1.00 0.00 H new ATOM 247 N ARG A 17 4.981 -4.375 -4.166 1.00 0.00 N ATOM 248 CA ARG A 17 6.211 -4.020 -4.866 1.00 0.00 C ATOM 249 C ARG A 17 5.983 -3.971 -6.373 1.00 0.00 C ATOM 250 O ARG A 17 5.478 -4.925 -6.965 1.00 0.00 O ATOM 251 CB ARG A 17 7.317 -5.024 -4.535 1.00 0.00 C ATOM 252 CG ARG A 17 8.670 -4.376 -4.283 1.00 0.00 C ATOM 253 CD ARG A 17 9.041 -4.410 -2.809 1.00 0.00 C ATOM 254 NE ARG A 17 9.391 -5.757 -2.363 1.00 0.00 N ATOM 255 CZ ARG A 17 10.056 -6.016 -1.239 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.443 -5.025 -0.445 1.00 0.00 N ATOM 257 NH2 ARG A 17 10.334 -7.269 -0.908 1.00 0.00 N ATOM 0 H ARG A 17 4.839 -5.378 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 17 6.519 -3.029 -4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.027 -5.595 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.410 -5.734 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.435 -4.892 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.650 -3.343 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.882 -3.739 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.205 -4.038 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 17 9.109 -6.545 -2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.231 -4.059 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.952 -5.230 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.039 -8.034 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.843 -7.468 -0.047 1.00 0.00 H new ATOM 271 N ASN A 18 6.358 -2.855 -6.987 1.00 0.00 N ATOM 272 CA ASN A 18 6.194 -2.681 -8.426 1.00 0.00 C ATOM 273 C ASN A 18 6.967 -3.748 -9.195 1.00 0.00 C ATOM 274 O ASN A 18 8.191 -3.676 -9.316 1.00 0.00 O ATOM 275 CB ASN A 18 6.666 -1.289 -8.850 1.00 0.00 C ATOM 276 CG ASN A 18 6.259 -0.948 -10.270 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.579 -1.728 -10.938 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.673 0.224 -10.739 1.00 0.00 N ATOM 0 H ASN A 18 6.778 -2.057 -6.511 1.00 0.00 H new ATOM 0 HA ASN A 18 5.135 -2.785 -8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.254 -0.545 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.751 -1.234 -8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.429 0.509 -11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.235 0.839 -10.150 1.00 0.00 H new ATOM 285 N GLY A 19 6.246 -4.737 -9.712 1.00 0.00 N ATOM 286 CA GLY A 19 6.882 -5.804 -10.462 1.00 0.00 C ATOM 287 C GLY A 19 7.239 -6.993 -9.591 1.00 0.00 C ATOM 288 O GLY A 19 8.301 -7.593 -9.755 1.00 0.00 O ATOM 0 H GLY A 19 5.233 -4.819 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.215 -6.130 -11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.785 -5.421 -10.937 1.00 0.00 H new ATOM 292 N ASP A 20 6.350 -7.334 -8.664 1.00 0.00 N ATOM 293 CA ASP A 20 6.578 -8.460 -7.765 1.00 0.00 C ATOM 294 C ASP A 20 5.256 -9.059 -7.297 1.00 0.00 C ATOM 295 O ASP A 20 4.737 -8.694 -6.241 1.00 0.00 O ATOM 296 CB ASP A 20 7.405 -8.015 -6.558 1.00 0.00 C ATOM 297 CG ASP A 20 8.243 -9.140 -5.984 1.00 0.00 C ATOM 298 OD1 ASP A 20 8.810 -9.921 -6.777 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.331 -9.242 -4.743 1.00 0.00 O ATOM 0 H ASP A 20 5.466 -6.848 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 20 7.129 -9.225 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.058 -7.193 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.738 -7.632 -5.786 1.00 0.00 H new ATOM 304 N ARG A 21 4.715 -9.981 -8.087 1.00 0.00 N ATOM 305 CA ARG A 21 3.454 -10.631 -7.752 1.00 0.00 C ATOM 306 C ARG A 21 3.628 -11.579 -6.571 1.00 0.00 C ATOM 307 O ARG A 21 2.718 -11.753 -5.762 1.00 0.00 O ATOM 308 CB ARG A 21 2.912 -11.397 -8.959 1.00 0.00 C ATOM 309 CG ARG A 21 3.953 -12.263 -9.649 1.00 0.00 C ATOM 310 CD ARG A 21 3.348 -13.558 -10.169 1.00 0.00 C ATOM 311 NE ARG A 21 2.945 -13.452 -11.570 1.00 0.00 N ATOM 312 CZ ARG A 21 1.744 -13.041 -11.973 1.00 0.00 C ATOM 313 NH1 ARG A 21 0.819 -12.691 -11.087 1.00 0.00 N ATOM 314 NH2 ARG A 21 1.466 -12.978 -13.269 1.00 0.00 N ATOM 0 H ARG A 21 5.131 -10.295 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 21 2.740 -9.857 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.084 -12.027 -8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.509 -10.685 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.397 -11.710 -10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.758 -12.491 -8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.072 -14.365 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.482 -13.823 -9.562 1.00 0.00 H new ATOM 0 HE ARG A 21 3.627 -13.709 -12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.026 -12.736 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.098 -12.377 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.172 -13.244 -13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.546 -12.663 -13.579 1.00 0.00 H new ATOM 328 N TYR A 22 4.805 -12.190 -6.479 1.00 0.00 N ATOM 329 CA TYR A 22 5.102 -13.122 -5.397 1.00 0.00 C ATOM 330 C TYR A 22 4.901 -12.464 -4.036 1.00 0.00 C ATOM 331 O TYR A 22 4.574 -13.131 -3.055 1.00 0.00 O ATOM 332 CB TYR A 22 6.537 -13.637 -5.520 1.00 0.00 C ATOM 333 CG TYR A 22 6.860 -14.217 -6.878 1.00 0.00 C ATOM 334 CD1 TYR A 22 6.585 -15.547 -7.170 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.438 -13.434 -7.870 1.00 0.00 C ATOM 336 CE1 TYR A 22 6.877 -16.080 -8.412 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.733 -13.960 -9.113 1.00 0.00 C ATOM 338 CZ TYR A 22 7.451 -15.283 -9.379 1.00 0.00 C ATOM 339 OH TYR A 22 7.743 -15.810 -10.616 1.00 0.00 O ATOM 0 H TYR A 22 5.569 -12.056 -7.141 1.00 0.00 H new ATOM 0 HA TYR A 22 4.412 -13.962 -5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.226 -12.819 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.707 -14.399 -4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.136 -16.175 -6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.660 -12.397 -7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.656 -17.116 -8.623 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.182 -13.338 -9.873 1.00 0.00 H new ATOM 0 HH TYR A 22 8.142 -15.116 -11.181 1.00 0.00 H new ATOM 349 N PHE A 23 5.099 -11.150 -3.983 1.00 0.00 N ATOM 350 CA PHE A 23 4.939 -10.402 -2.742 1.00 0.00 C ATOM 351 C PHE A 23 3.520 -10.542 -2.200 1.00 0.00 C ATOM 352 O PHE A 23 2.545 -10.288 -2.908 1.00 0.00 O ATOM 353 CB PHE A 23 5.267 -8.925 -2.967 1.00 0.00 C ATOM 354 CG PHE A 23 5.503 -8.162 -1.695 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.654 -8.369 -0.951 1.00 0.00 C ATOM 356 CD2 PHE A 23 4.576 -7.237 -1.244 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.874 -7.668 0.220 1.00 0.00 C ATOM 358 CE2 PHE A 23 4.791 -6.534 -0.075 1.00 0.00 C ATOM 359 CZ PHE A 23 5.942 -6.749 0.658 1.00 0.00 C ATOM 0 H PHE A 23 5.371 -10.582 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 23 5.631 -10.814 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.154 -8.850 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.448 -8.459 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.387 -9.086 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.675 -7.064 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.774 -7.839 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.060 -5.816 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.112 -6.199 1.572 1.00 0.00 H new ATOM 369 N LYS A 24 3.411 -10.948 -0.939 1.00 0.00 N ATOM 370 CA LYS A 24 2.111 -11.123 -0.301 1.00 0.00 C ATOM 371 C LYS A 24 1.440 -9.775 -0.057 1.00 0.00 C ATOM 372 O LYS A 24 0.217 -9.656 -0.138 1.00 0.00 O ATOM 373 CB LYS A 24 2.266 -11.876 1.022 1.00 0.00 C ATOM 374 CG LYS A 24 2.764 -13.302 0.856 1.00 0.00 C ATOM 375 CD LYS A 24 4.281 -13.357 0.773 1.00 0.00 C ATOM 376 CE LYS A 24 4.840 -14.533 1.557 1.00 0.00 C ATOM 377 NZ LYS A 24 6.306 -14.695 1.347 1.00 0.00 N ATOM 0 H LYS A 24 4.207 -11.162 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 24 1.480 -11.707 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.959 -11.330 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.305 -11.893 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.422 -13.908 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.333 -13.736 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.587 -13.436 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.701 -12.428 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.639 -14.390 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.327 -15.446 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.648 -15.507 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.496 -14.857 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.799 -13.833 1.658 1.00 0.00 H new ATOM 391 N GLY A 25 2.248 -8.763 0.244 1.00 0.00 N ATOM 392 CA GLY A 25 1.713 -7.438 0.496 1.00 0.00 C ATOM 393 C GLY A 25 1.741 -7.072 1.967 1.00 0.00 C ATOM 394 O GLY A 25 1.683 -7.946 2.832 1.00 0.00 O ATOM 0 H GLY A 25 3.263 -8.837 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.288 -6.704 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.687 -7.388 0.132 1.00 0.00 H new ATOM 398 N ILE A 26 1.834 -5.777 2.251 1.00 0.00 N ATOM 399 CA ILE A 26 1.871 -5.297 3.627 1.00 0.00 C ATOM 400 C ILE A 26 0.709 -4.351 3.911 1.00 0.00 C ATOM 401 O ILE A 26 0.409 -3.462 3.113 1.00 0.00 O ATOM 402 CB ILE A 26 3.201 -4.576 3.933 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.264 -4.174 5.409 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.364 -3.357 3.038 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.620 -3.653 5.835 1.00 0.00 C ATOM 0 H ILE A 26 1.885 -5.041 1.546 1.00 0.00 H new ATOM 0 HA ILE A 26 1.785 -6.171 4.272 1.00 0.00 H new ATOM 0 HB ILE A 26 4.022 -5.263 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.512 -3.408 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.005 -5.036 6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.307 -2.861 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.363 -3.670 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.539 -2.666 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.592 -3.387 6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.373 -4.425 5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.873 -2.771 5.246 1.00 0.00 H new ATOM 417 N VAL A 27 0.057 -4.549 5.053 1.00 0.00 N ATOM 418 CA VAL A 27 -1.072 -3.712 5.442 1.00 0.00 C ATOM 419 C VAL A 27 -0.645 -2.640 6.439 1.00 0.00 C ATOM 420 O VAL A 27 -0.034 -2.940 7.464 1.00 0.00 O ATOM 421 CB VAL A 27 -2.205 -4.551 6.065 1.00 0.00 C ATOM 422 CG1 VAL A 27 -3.449 -3.701 6.271 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.513 -5.761 5.197 1.00 0.00 C ATOM 0 H VAL A 27 0.291 -5.281 5.724 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.439 -3.235 4.533 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.873 -4.908 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.238 -4.311 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.216 -2.871 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.786 -3.311 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.315 -6.341 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.823 -5.429 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.621 -6.382 5.109 1.00 0.00 H new ATOM 433 N TYR A 28 -0.970 -1.388 6.130 1.00 0.00 N ATOM 434 CA TYR A 28 -0.619 -0.271 6.998 1.00 0.00 C ATOM 435 C TYR A 28 -1.865 0.332 7.639 1.00 0.00 C ATOM 436 O TYR A 28 -2.989 0.031 7.238 1.00 0.00 O ATOM 437 CB TYR A 28 0.131 0.802 6.207 1.00 0.00 C ATOM 438 CG TYR A 28 1.628 0.595 6.176 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.194 -0.416 5.409 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.477 1.413 6.911 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.562 -0.608 5.377 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.846 1.228 6.884 1.00 0.00 C ATOM 443 CZ TYR A 28 4.383 0.217 6.116 1.00 0.00 C ATOM 444 OH TYR A 28 5.746 0.029 6.087 1.00 0.00 O ATOM 0 H TYR A 28 -1.476 -1.123 5.285 1.00 0.00 H new ATOM 0 HA TYR A 28 0.029 -0.648 7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.246 0.818 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.084 1.778 6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.554 -1.063 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.060 2.207 7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.986 -1.400 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.492 1.872 7.462 1.00 0.00 H new ATOM 0 HH TYR A 28 6.180 0.694 6.661 1.00 0.00 H new ATOM 454 N ALA A 29 -1.657 1.185 8.636 1.00 0.00 N ATOM 455 CA ALA A 29 -2.763 1.831 9.333 1.00 0.00 C ATOM 456 C ALA A 29 -2.520 3.330 9.474 1.00 0.00 C ATOM 457 O ALA A 29 -1.589 3.756 10.156 1.00 0.00 O ATOM 458 CB ALA A 29 -2.968 1.197 10.700 1.00 0.00 C ATOM 0 H ALA A 29 -0.733 1.445 8.980 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.667 1.689 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.797 1.689 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.194 0.138 10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.060 1.309 11.293 1.00 0.00 H new ATOM 464 N ILE A 30 -3.362 4.125 8.822 1.00 0.00 N ATOM 465 CA ILE A 30 -3.238 5.575 8.874 1.00 0.00 C ATOM 466 C ILE A 30 -4.050 6.157 10.026 1.00 0.00 C ATOM 467 O ILE A 30 -5.277 6.228 9.961 1.00 0.00 O ATOM 468 CB ILE A 30 -3.699 6.229 7.557 1.00 0.00 C ATOM 469 CG1 ILE A 30 -3.053 5.526 6.361 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.361 7.712 7.552 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.541 5.533 6.401 1.00 0.00 C ATOM 0 H ILE A 30 -4.138 3.788 8.251 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.182 5.794 9.029 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.781 6.124 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.403 4.494 6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.386 6.009 5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.694 8.158 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.864 8.203 8.386 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.283 7.840 7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.151 5.018 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.182 6.562 6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.199 5.024 7.302 1.00 0.00 H new ATOM 483 N SER A 31 -3.356 6.570 11.082 1.00 0.00 N ATOM 484 CA SER A 31 -4.012 7.147 12.251 1.00 0.00 C ATOM 485 C SER A 31 -3.419 8.515 12.585 1.00 0.00 C ATOM 486 O SER A 31 -2.371 8.890 12.062 1.00 0.00 O ATOM 487 CB SER A 31 -3.878 6.207 13.451 1.00 0.00 C ATOM 488 OG SER A 31 -5.111 5.573 13.743 1.00 0.00 O ATOM 0 H SER A 31 -2.340 6.516 11.153 1.00 0.00 H new ATOM 0 HA SER A 31 -5.069 7.278 12.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.118 5.453 13.243 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.540 6.769 14.321 1.00 0.00 H new ATOM 0 HG SER A 31 -4.998 4.977 14.512 1.00 0.00 H new ATOM 494 N PRO A 32 -4.088 9.280 13.466 1.00 0.00 N ATOM 495 CA PRO A 32 -3.621 10.611 13.866 1.00 0.00 C ATOM 496 C PRO A 32 -2.351 10.553 14.708 1.00 0.00 C ATOM 497 O PRO A 32 -1.487 11.424 14.608 1.00 0.00 O ATOM 498 CB PRO A 32 -4.785 11.165 14.693 1.00 0.00 C ATOM 499 CG PRO A 32 -5.496 9.959 15.203 1.00 0.00 C ATOM 500 CD PRO A 32 -5.348 8.910 14.136 1.00 0.00 C ATOM 0 HA PRO A 32 -3.362 11.226 13.004 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.427 11.789 15.512 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.443 11.785 14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.065 9.621 16.145 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.547 10.177 15.393 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.297 7.908 14.562 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.189 8.920 13.443 1.00 0.00 H new ATOM 508 N ASP A 33 -2.243 9.520 15.537 1.00 0.00 N ATOM 509 CA ASP A 33 -1.078 9.349 16.396 1.00 0.00 C ATOM 510 C ASP A 33 0.023 8.577 15.674 1.00 0.00 C ATOM 511 O ASP A 33 1.209 8.792 15.921 1.00 0.00 O ATOM 512 CB ASP A 33 -1.470 8.620 17.684 1.00 0.00 C ATOM 513 CG ASP A 33 -1.656 9.570 18.851 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.568 10.421 18.785 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.891 9.462 19.832 1.00 0.00 O ATOM 0 H ASP A 33 -2.948 8.789 15.632 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.696 10.338 16.649 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.394 8.067 17.518 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.701 7.889 17.933 1.00 0.00 H new ATOM 520 N ARG A 34 -0.379 7.678 14.783 1.00 0.00 N ATOM 521 CA ARG A 34 0.573 6.875 14.025 1.00 0.00 C ATOM 522 C ARG A 34 1.408 7.751 13.097 1.00 0.00 C ATOM 523 O ARG A 34 2.605 7.939 13.314 1.00 0.00 O ATOM 524 CB ARG A 34 -0.162 5.803 13.216 1.00 0.00 C ATOM 525 CG ARG A 34 0.354 4.394 13.463 1.00 0.00 C ATOM 526 CD ARG A 34 -0.566 3.618 14.393 1.00 0.00 C ATOM 527 NE ARG A 34 -0.716 4.275 15.688 1.00 0.00 N ATOM 528 CZ ARG A 34 0.215 4.258 16.640 1.00 0.00 C ATOM 529 NH1 ARG A 34 1.362 3.620 16.445 1.00 0.00 N ATOM 530 NH2 ARG A 34 -0.002 4.881 17.790 1.00 0.00 N ATOM 0 H ARG A 34 -1.358 7.487 14.568 1.00 0.00 H new ATOM 0 HA ARG A 34 1.244 6.388 14.732 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.224 5.840 13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.070 6.034 12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.442 3.866 12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.353 4.442 13.895 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.545 3.509 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.169 2.613 14.540 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.585 4.776 15.874 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.534 3.139 15.562 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.071 3.611 17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.882 5.373 17.945 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.711 4.868 18.519 1.00 0.00 H new ATOM 544 N PHE A 35 0.768 8.286 12.061 1.00 0.00 N ATOM 545 CA PHE A 35 1.451 9.142 11.100 1.00 0.00 C ATOM 546 C PHE A 35 0.975 10.585 11.220 1.00 0.00 C ATOM 547 O PHE A 35 -0.088 10.854 11.780 1.00 0.00 O ATOM 548 CB PHE A 35 1.217 8.634 9.676 1.00 0.00 C ATOM 549 CG PHE A 35 1.677 7.221 9.460 1.00 0.00 C ATOM 550 CD1 PHE A 35 3.017 6.939 9.250 1.00 0.00 C ATOM 551 CD2 PHE A 35 0.769 6.174 9.465 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.444 5.639 9.050 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.189 4.872 9.267 1.00 0.00 C ATOM 554 CZ PHE A 35 2.529 4.605 9.059 1.00 0.00 C ATOM 0 H PHE A 35 -0.223 8.141 11.867 1.00 0.00 H new ATOM 0 HA PHE A 35 2.518 9.111 11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.154 8.701 9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.737 9.288 8.976 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.737 7.744 9.242 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.279 6.378 9.626 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.492 5.433 8.887 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.471 4.065 9.275 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.860 3.589 8.904 1.00 0.00 H new ATOM 564 N ARG A 36 1.768 11.512 10.691 1.00 0.00 N ATOM 565 CA ARG A 36 1.428 12.930 10.739 1.00 0.00 C ATOM 566 C ARG A 36 1.482 13.547 9.345 1.00 0.00 C ATOM 567 O ARG A 36 0.586 14.294 8.952 1.00 0.00 O ATOM 568 CB ARG A 36 2.380 13.673 11.677 1.00 0.00 C ATOM 569 CG ARG A 36 1.858 15.027 12.126 1.00 0.00 C ATOM 570 CD ARG A 36 0.940 14.899 13.330 1.00 0.00 C ATOM 571 NE ARG A 36 0.689 16.189 13.968 1.00 0.00 N ATOM 572 CZ ARG A 36 1.592 16.847 14.690 1.00 0.00 C ATOM 573 NH1 ARG A 36 2.806 16.341 14.870 1.00 0.00 N ATOM 574 NH2 ARG A 36 1.282 18.016 15.235 1.00 0.00 N ATOM 0 H ARG A 36 2.651 11.306 10.224 1.00 0.00 H new ATOM 0 HA ARG A 36 0.411 13.023 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.567 13.055 12.556 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.338 13.810 11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.697 15.677 12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.319 15.501 11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.007 14.459 13.018 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.385 14.217 14.054 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.233 16.610 13.853 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.051 15.443 14.454 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.494 16.851 15.425 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.351 18.411 15.101 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.975 18.520 15.789 1.00 0.00 H new ATOM 588 N SER A 37 2.539 13.231 8.604 1.00 0.00 N ATOM 589 CA SER A 37 2.710 13.755 7.254 1.00 0.00 C ATOM 590 C SER A 37 3.093 12.641 6.283 1.00 0.00 C ATOM 591 O SER A 37 3.438 11.535 6.698 1.00 0.00 O ATOM 592 CB SER A 37 3.778 14.849 7.240 1.00 0.00 C ATOM 593 OG SER A 37 5.056 14.318 7.546 1.00 0.00 O ATOM 0 H SER A 37 3.290 12.615 8.916 1.00 0.00 H new ATOM 0 HA SER A 37 1.760 14.182 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.803 15.324 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.520 15.623 7.963 1.00 0.00 H new ATOM 0 HG SER A 37 5.722 15.037 7.529 1.00 0.00 H new ATOM 599 N PHE A 38 3.029 12.942 4.991 1.00 0.00 N ATOM 600 CA PHE A 38 3.369 11.966 3.962 1.00 0.00 C ATOM 601 C PHE A 38 4.815 11.503 4.108 1.00 0.00 C ATOM 602 O PHE A 38 5.147 10.361 3.787 1.00 0.00 O ATOM 603 CB PHE A 38 3.151 12.563 2.571 1.00 0.00 C ATOM 604 CG PHE A 38 3.075 11.533 1.480 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.178 10.480 1.565 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.900 11.618 0.371 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.106 9.531 0.563 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.833 10.671 -0.635 1.00 0.00 C ATOM 609 CZ PHE A 38 2.935 9.627 -0.537 1.00 0.00 C ATOM 0 H PHE A 38 2.745 13.853 4.631 1.00 0.00 H new ATOM 0 HA PHE A 38 2.715 11.103 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.229 13.145 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.964 13.255 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.528 10.400 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.604 12.433 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.402 8.715 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.482 10.748 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.881 8.886 -1.320 1.00 0.00 H new ATOM 619 N GLU A 39 5.671 12.395 4.595 1.00 0.00 N ATOM 620 CA GLU A 39 7.081 12.077 4.784 1.00 0.00 C ATOM 621 C GLU A 39 7.252 10.932 5.778 1.00 0.00 C ATOM 622 O GLU A 39 8.166 10.117 5.651 1.00 0.00 O ATOM 623 CB GLU A 39 7.843 13.312 5.270 1.00 0.00 C ATOM 624 CG GLU A 39 8.581 14.046 4.162 1.00 0.00 C ATOM 625 CD GLU A 39 10.089 13.960 4.307 1.00 0.00 C ATOM 626 OE1 GLU A 39 10.566 13.035 4.997 1.00 0.00 O ATOM 627 OE2 GLU A 39 10.790 14.818 3.731 1.00 0.00 O ATOM 0 H GLU A 39 5.413 13.344 4.866 1.00 0.00 H new ATOM 0 HA GLU A 39 7.490 11.763 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.141 13.998 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.559 13.010 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.288 13.630 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.279 15.093 4.162 1.00 0.00 H new ATOM 634 N ALA A 40 6.368 10.879 6.769 1.00 0.00 N ATOM 635 CA ALA A 40 6.421 9.835 7.785 1.00 0.00 C ATOM 636 C ALA A 40 6.002 8.486 7.211 1.00 0.00 C ATOM 637 O ALA A 40 6.530 7.444 7.599 1.00 0.00 O ATOM 638 CB ALA A 40 5.537 10.205 8.967 1.00 0.00 C ATOM 0 H ALA A 40 5.607 11.547 6.890 1.00 0.00 H new ATOM 0 HA ALA A 40 7.452 9.749 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.586 9.417 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.884 11.143 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.507 10.321 8.629 1.00 0.00 H new ATOM 644 N LEU A 41 5.050 8.513 6.284 1.00 0.00 N ATOM 645 CA LEU A 41 4.560 7.292 5.657 1.00 0.00 C ATOM 646 C LEU A 41 5.569 6.757 4.645 1.00 0.00 C ATOM 647 O LEU A 41 5.672 5.548 4.436 1.00 0.00 O ATOM 648 CB LEU A 41 3.218 7.550 4.968 1.00 0.00 C ATOM 649 CG LEU A 41 2.505 6.301 4.449 1.00 0.00 C ATOM 650 CD1 LEU A 41 1.961 5.477 5.607 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.385 6.685 3.494 1.00 0.00 C ATOM 0 H LEU A 41 4.603 9.367 5.951 1.00 0.00 H new ATOM 0 HA LEU A 41 4.422 6.543 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.559 8.060 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.381 8.230 4.132 1.00 0.00 H new ATOM 0 HG LEU A 41 3.228 5.693 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.457 4.592 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.783 5.172 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.253 6.076 6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.888 5.784 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.663 7.314 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.800 7.233 2.648 1.00 0.00 H new ATOM 663 N LEU A 42 6.311 7.665 4.019 1.00 0.00 N ATOM 664 CA LEU A 42 7.311 7.285 3.030 1.00 0.00 C ATOM 665 C LEU A 42 8.558 6.720 3.705 1.00 0.00 C ATOM 666 O LEU A 42 9.214 5.826 3.171 1.00 0.00 O ATOM 667 CB LEU A 42 7.687 8.488 2.164 1.00 0.00 C ATOM 668 CG LEU A 42 6.691 8.824 1.053 1.00 0.00 C ATOM 669 CD1 LEU A 42 6.940 10.225 0.517 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.779 7.798 -0.067 1.00 0.00 C ATOM 0 H LEU A 42 6.238 8.670 4.180 1.00 0.00 H new ATOM 0 HA LEU A 42 6.880 6.510 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.796 9.360 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.661 8.301 1.713 1.00 0.00 H new ATOM 0 HG LEU A 42 5.685 8.792 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.222 10.446 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.826 10.949 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.951 10.286 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.064 8.051 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.787 7.798 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.549 6.808 0.327 1.00 0.00 H new ATOM 682 N ALA A 43 8.879 7.250 4.881 1.00 0.00 N ATOM 683 CA ALA A 43 10.047 6.799 5.628 1.00 0.00 C ATOM 684 C ALA A 43 9.919 5.330 6.014 1.00 0.00 C ATOM 685 O ALA A 43 10.892 4.578 5.966 1.00 0.00 O ATOM 686 CB ALA A 43 10.242 7.658 6.869 1.00 0.00 C ATOM 0 H ALA A 43 8.347 7.992 5.337 1.00 0.00 H new ATOM 0 HA ALA A 43 10.921 6.903 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.117 7.311 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.388 8.697 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.361 7.582 7.506 1.00 0.00 H new ATOM 692 N ASP A 44 8.712 4.927 6.398 1.00 0.00 N ATOM 693 CA ASP A 44 8.457 3.547 6.793 1.00 0.00 C ATOM 694 C ASP A 44 8.388 2.634 5.573 1.00 0.00 C ATOM 695 O ASP A 44 8.954 1.541 5.569 1.00 0.00 O ATOM 696 CB ASP A 44 7.154 3.455 7.590 1.00 0.00 C ATOM 697 CG ASP A 44 7.280 2.558 8.806 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.387 2.490 9.381 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.273 1.923 9.182 1.00 0.00 O ATOM 0 H ASP A 44 7.896 5.537 6.444 1.00 0.00 H new ATOM 0 HA ASP A 44 9.283 3.217 7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.855 4.454 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.362 3.076 6.944 1.00 0.00 H new ATOM 704 N LEU A 45 7.690 3.090 4.537 1.00 0.00 N ATOM 705 CA LEU A 45 7.547 2.315 3.311 1.00 0.00 C ATOM 706 C LEU A 45 8.908 2.043 2.676 1.00 0.00 C ATOM 707 O LEU A 45 9.113 1.008 2.043 1.00 0.00 O ATOM 708 CB LEU A 45 6.646 3.053 2.319 1.00 0.00 C ATOM 709 CG LEU A 45 5.145 2.851 2.531 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.353 3.917 1.790 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.726 1.461 2.078 1.00 0.00 C ATOM 0 H LEU A 45 7.215 3.992 4.523 1.00 0.00 H new ATOM 0 HA LEU A 45 7.089 1.359 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.865 4.119 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.901 2.729 1.310 1.00 0.00 H new ATOM 0 HG LEU A 45 4.932 2.944 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.287 3.757 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.633 4.903 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.571 3.856 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.655 1.334 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.953 1.339 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.269 0.712 2.654 1.00 0.00 H new ATOM 723 N THR A 46 9.834 2.980 2.851 1.00 0.00 N ATOM 724 CA THR A 46 11.175 2.844 2.297 1.00 0.00 C ATOM 725 C THR A 46 12.004 1.855 3.111 1.00 0.00 C ATOM 726 O THR A 46 12.877 1.172 2.576 1.00 0.00 O ATOM 727 CB THR A 46 11.875 4.203 2.259 1.00 0.00 C ATOM 728 OG1 THR A 46 11.081 5.157 1.578 1.00 0.00 O ATOM 729 CG2 THR A 46 13.227 4.162 1.581 1.00 0.00 C ATOM 0 H THR A 46 9.679 3.843 3.373 1.00 0.00 H new ATOM 0 HA THR A 46 11.082 2.462 1.280 1.00 0.00 H new ATOM 0 HB THR A 46 12.019 4.482 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.570 5.682 2.229 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.668 5.159 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.881 3.472 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.107 3.826 0.551 1.00 0.00 H new ATOM 737 N ARG A 47 11.724 1.784 4.409 1.00 0.00 N ATOM 738 CA ARG A 47 12.443 0.879 5.297 1.00 0.00 C ATOM 739 C ARG A 47 12.007 -0.566 5.074 1.00 0.00 C ATOM 740 O ARG A 47 12.791 -1.496 5.257 1.00 0.00 O ATOM 741 CB ARG A 47 12.209 1.274 6.758 1.00 0.00 C ATOM 742 CG ARG A 47 13.163 0.598 7.730 1.00 0.00 C ATOM 743 CD ARG A 47 14.235 1.559 8.220 1.00 0.00 C ATOM 744 NE ARG A 47 15.525 0.898 8.396 1.00 0.00 N ATOM 745 CZ ARG A 47 16.669 1.547 8.598 1.00 0.00 C ATOM 746 NH1 ARG A 47 16.688 2.873 8.651 1.00 0.00 N ATOM 747 NH2 ARG A 47 17.798 0.869 8.749 1.00 0.00 N ATOM 0 H ARG A 47 11.005 2.342 4.868 1.00 0.00 H new ATOM 0 HA ARG A 47 13.506 0.957 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.310 2.355 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.185 1.024 7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.603 0.212 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.634 -0.257 7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.341 2.377 7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.921 1.999 9.166 1.00 0.00 H new ATOM 0 HE ARG A 47 15.551 -0.121 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.822 3.400 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.568 3.365 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.790 -0.150 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.675 1.367 8.904 1.00 0.00 H new ATOM 761 N THR A 48 10.751 -0.745 4.677 1.00 0.00 N ATOM 762 CA THR A 48 10.211 -2.077 4.430 1.00 0.00 C ATOM 763 C THR A 48 10.169 -2.380 2.935 1.00 0.00 C ATOM 764 O THR A 48 10.981 -3.153 2.425 1.00 0.00 O ATOM 765 CB THR A 48 8.808 -2.201 5.025 1.00 0.00 C ATOM 766 OG1 THR A 48 8.017 -1.075 4.687 1.00 0.00 O ATOM 767 CG2 THR A 48 8.807 -2.327 6.534 1.00 0.00 C ATOM 0 H THR A 48 10.089 0.015 4.520 1.00 0.00 H new ATOM 0 HA THR A 48 10.868 -2.801 4.911 1.00 0.00 H new ATOM 0 HB THR A 48 8.394 -3.115 4.600 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.316 -0.954 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.781 -2.411 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.367 -3.216 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.273 -1.445 6.973 1.00 0.00 H new ATOM 775 N LEU A 49 9.219 -1.767 2.239 1.00 0.00 N ATOM 776 CA LEU A 49 9.070 -1.972 0.802 1.00 0.00 C ATOM 777 C LEU A 49 10.214 -1.311 0.036 1.00 0.00 C ATOM 778 O LEU A 49 10.004 -0.361 -0.717 1.00 0.00 O ATOM 779 CB LEU A 49 7.729 -1.415 0.323 1.00 0.00 C ATOM 780 CG LEU A 49 6.497 -2.171 0.826 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.230 -1.387 0.524 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.431 -3.555 0.201 1.00 0.00 C ATOM 0 H LEU A 49 8.540 -1.124 2.646 1.00 0.00 H new ATOM 0 HA LEU A 49 9.100 -3.044 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.652 -0.374 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.719 -1.420 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 49 6.580 -2.285 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.364 -1.940 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.276 -0.417 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.140 -1.241 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.549 -4.079 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.371 -3.462 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.325 -4.118 0.468 1.00 0.00 H new ATOM 794 N SER A 50 11.425 -1.822 0.236 1.00 0.00 N ATOM 795 CA SER A 50 12.603 -1.284 -0.435 1.00 0.00 C ATOM 796 C SER A 50 13.852 -2.072 -0.055 1.00 0.00 C ATOM 797 O SER A 50 14.102 -2.331 1.122 1.00 0.00 O ATOM 798 CB SER A 50 12.787 0.195 -0.082 1.00 0.00 C ATOM 799 OG SER A 50 12.760 1.004 -1.245 1.00 0.00 O ATOM 0 H SER A 50 11.616 -2.608 0.857 1.00 0.00 H new ATOM 0 HA SER A 50 12.452 -1.376 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.999 0.510 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.735 0.333 0.439 1.00 0.00 H new ATOM 0 HG SER A 50 13.491 0.742 -1.843 1.00 0.00 H new ATOM 805 N ASP A 51 14.636 -2.452 -1.060 1.00 0.00 N ATOM 806 CA ASP A 51 15.860 -3.210 -0.832 1.00 0.00 C ATOM 807 C ASP A 51 16.974 -2.738 -1.759 1.00 0.00 C ATOM 808 O ASP A 51 17.907 -2.059 -1.331 1.00 0.00 O ATOM 809 CB ASP A 51 15.606 -4.704 -1.039 1.00 0.00 C ATOM 810 CG ASP A 51 15.131 -5.391 0.227 1.00 0.00 C ATOM 811 OD1 ASP A 51 14.229 -4.844 0.896 1.00 0.00 O ATOM 812 OD2 ASP A 51 15.661 -6.475 0.548 1.00 0.00 O ATOM 0 H ASP A 51 14.444 -2.247 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 51 16.175 -3.042 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.861 -4.838 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.523 -5.181 -1.386 1.00 0.00 H new ATOM 817 N ASN A 52 16.871 -3.102 -3.033 1.00 0.00 N ATOM 818 CA ASN A 52 17.871 -2.717 -4.022 1.00 0.00 C ATOM 819 C ASN A 52 17.432 -3.121 -5.425 1.00 0.00 C ATOM 820 O ASN A 52 17.374 -2.290 -6.332 1.00 0.00 O ATOM 821 CB ASN A 52 19.220 -3.358 -3.690 1.00 0.00 C ATOM 822 CG ASN A 52 20.376 -2.391 -3.858 1.00 0.00 C ATOM 823 OD1 ASN A 52 20.258 -1.204 -3.551 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.502 -2.895 -4.349 1.00 0.00 N ATOM 0 H ASN A 52 16.105 -3.663 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 52 17.976 -1.632 -3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.202 -3.724 -2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.377 -4.223 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.314 -2.292 -4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.555 -3.885 -4.590 1.00 0.00 H new ATOM 831 N VAL A 53 17.123 -4.402 -5.598 1.00 0.00 N ATOM 832 CA VAL A 53 16.689 -4.917 -6.891 1.00 0.00 C ATOM 833 C VAL A 53 15.310 -4.380 -7.260 1.00 0.00 C ATOM 834 O VAL A 53 14.995 -4.206 -8.436 1.00 0.00 O ATOM 835 CB VAL A 53 16.648 -6.456 -6.899 1.00 0.00 C ATOM 836 CG1 VAL A 53 16.345 -6.977 -8.296 1.00 0.00 C ATOM 837 CG2 VAL A 53 17.959 -7.031 -6.382 1.00 0.00 C ATOM 0 H VAL A 53 17.165 -5.103 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 53 17.418 -4.578 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 53 15.848 -6.780 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.320 -8.067 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.378 -6.597 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.120 -6.641 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.909 -8.120 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.779 -6.697 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.129 -6.688 -5.361 1.00 0.00 H new ATOM 847 N ASN A 54 14.491 -4.121 -6.246 1.00 0.00 N ATOM 848 CA ASN A 54 13.144 -3.605 -6.463 1.00 0.00 C ATOM 849 C ASN A 54 13.150 -2.082 -6.544 1.00 0.00 C ATOM 850 O ASN A 54 12.819 -1.504 -7.579 1.00 0.00 O ATOM 851 CB ASN A 54 12.213 -4.064 -5.339 1.00 0.00 C ATOM 852 CG ASN A 54 11.783 -5.509 -5.499 1.00 0.00 C ATOM 853 OD1 ASN A 54 11.618 -6.001 -6.615 1.00 0.00 O ATOM 854 ND2 ASN A 54 11.598 -6.198 -4.379 1.00 0.00 N ATOM 0 H ASN A 54 14.736 -4.260 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 54 12.780 -3.999 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.717 -3.942 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.330 -3.425 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.308 -7.175 -4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.746 -5.750 -3.475 1.00 0.00 H new ATOM 861 N LEU A 55 13.529 -1.438 -5.445 1.00 0.00 N ATOM 862 CA LEU A 55 13.577 0.019 -5.390 1.00 0.00 C ATOM 863 C LEU A 55 14.817 0.494 -4.637 1.00 0.00 C ATOM 864 O LEU A 55 14.776 0.696 -3.422 1.00 0.00 O ATOM 865 CB LEU A 55 12.316 0.567 -4.718 1.00 0.00 C ATOM 866 CG LEU A 55 11.041 0.467 -5.558 1.00 0.00 C ATOM 867 CD1 LEU A 55 9.853 0.092 -4.685 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.778 1.779 -6.284 1.00 0.00 C ATOM 0 H LEU A 55 13.807 -1.902 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 55 13.628 0.395 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.159 0.031 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.484 1.613 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 55 11.180 -0.317 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.956 0.026 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.040 -0.872 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.711 0.853 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.868 1.691 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.660 2.581 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.618 2.006 -6.941 1.00 0.00 H new ATOM 880 N PRO A 56 15.942 0.680 -5.350 1.00 0.00 N ATOM 881 CA PRO A 56 17.197 1.133 -4.741 1.00 0.00 C ATOM 882 C PRO A 56 17.133 2.590 -4.295 1.00 0.00 C ATOM 883 O PRO A 56 17.851 3.003 -3.385 1.00 0.00 O ATOM 884 CB PRO A 56 18.220 0.963 -5.866 1.00 0.00 C ATOM 885 CG PRO A 56 17.422 1.059 -7.120 1.00 0.00 C ATOM 886 CD PRO A 56 16.079 0.462 -6.802 1.00 0.00 C ATOM 0 HA PRO A 56 17.438 0.570 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.987 1.737 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.731 0.003 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.322 2.096 -7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.907 0.519 -7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.280 0.951 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.041 -0.598 -7.054 1.00 0.00 H new ATOM 894 N GLN A 57 16.269 3.366 -4.943 1.00 0.00 N ATOM 895 CA GLN A 57 16.113 4.778 -4.611 1.00 0.00 C ATOM 896 C GLN A 57 14.920 4.993 -3.686 1.00 0.00 C ATOM 897 O GLN A 57 14.291 6.051 -3.704 1.00 0.00 O ATOM 898 CB GLN A 57 15.943 5.607 -5.886 1.00 0.00 C ATOM 899 CG GLN A 57 17.247 6.165 -6.428 1.00 0.00 C ATOM 900 CD GLN A 57 17.094 6.763 -7.813 1.00 0.00 C ATOM 901 OE1 GLN A 57 16.274 7.656 -8.030 1.00 0.00 O ATOM 902 NE2 GLN A 57 17.885 6.272 -8.760 1.00 0.00 N ATOM 0 H GLN A 57 15.667 3.041 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 57 17.014 5.104 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.476 4.988 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.261 6.433 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.623 6.928 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.993 5.371 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 57 18.550 5.532 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.827 6.635 -9.712 1.00 0.00 H new ATOM 911 N GLY A 58 14.612 3.983 -2.876 1.00 0.00 N ATOM 912 CA GLY A 58 13.494 4.083 -1.956 1.00 0.00 C ATOM 913 C GLY A 58 12.187 4.393 -2.658 1.00 0.00 C ATOM 914 O GLY A 58 12.157 4.583 -3.874 1.00 0.00 O ATOM 0 H GLY A 58 15.117 3.098 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.394 3.146 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.701 4.861 -1.222 1.00 0.00 H new ATOM 918 N VAL A 59 11.104 4.444 -1.890 1.00 0.00 N ATOM 919 CA VAL A 59 9.786 4.734 -2.445 1.00 0.00 C ATOM 920 C VAL A 59 9.590 6.235 -2.636 1.00 0.00 C ATOM 921 O VAL A 59 10.089 7.041 -1.851 1.00 0.00 O ATOM 922 CB VAL A 59 8.664 4.185 -1.542 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.730 4.814 -0.158 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.301 4.416 -2.177 1.00 0.00 C ATOM 0 H VAL A 59 11.112 4.288 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 59 9.732 4.239 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 59 8.809 3.110 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.929 4.412 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.693 4.586 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.615 5.895 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.523 4.021 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.144 5.485 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.258 3.908 -3.140 1.00 0.00 H new ATOM 934 N ARG A 60 8.861 6.603 -3.685 1.00 0.00 N ATOM 935 CA ARG A 60 8.599 8.008 -3.978 1.00 0.00 C ATOM 936 C ARG A 60 7.162 8.207 -4.448 1.00 0.00 C ATOM 937 O ARG A 60 6.383 8.915 -3.811 1.00 0.00 O ATOM 938 CB ARG A 60 9.575 8.517 -5.041 1.00 0.00 C ATOM 939 CG ARG A 60 10.177 9.874 -4.714 1.00 0.00 C ATOM 940 CD ARG A 60 9.104 10.939 -4.561 1.00 0.00 C ATOM 941 NE ARG A 60 9.635 12.176 -3.992 1.00 0.00 N ATOM 942 CZ ARG A 60 8.902 13.262 -3.761 1.00 0.00 C ATOM 943 NH1 ARG A 60 7.605 13.269 -4.049 1.00 0.00 N ATOM 944 NH2 ARG A 60 9.465 14.344 -3.241 1.00 0.00 N ATOM 0 H ARG A 60 8.442 5.949 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 60 8.742 8.580 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.379 7.791 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.057 8.580 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.755 9.804 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.870 10.165 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.661 11.149 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.306 10.560 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 60 10.627 12.209 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.167 12.439 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.047 14.104 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.460 14.344 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.903 15.176 -3.064 1.00 0.00 H new ATOM 958 N THR A 61 6.818 7.578 -5.567 1.00 0.00 N ATOM 959 CA THR A 61 5.474 7.686 -6.124 1.00 0.00 C ATOM 960 C THR A 61 4.711 6.377 -5.961 1.00 0.00 C ATOM 961 O THR A 61 5.102 5.346 -6.510 1.00 0.00 O ATOM 962 CB THR A 61 5.541 8.072 -7.601 1.00 0.00 C ATOM 963 OG1 THR A 61 6.536 9.057 -7.819 1.00 0.00 O ATOM 964 CG2 THR A 61 4.234 8.613 -8.139 1.00 0.00 C ATOM 0 H THR A 61 7.451 6.988 -6.106 1.00 0.00 H new ATOM 0 HA THR A 61 4.942 8.465 -5.577 1.00 0.00 H new ATOM 0 HB THR A 61 5.778 7.148 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.564 9.289 -8.771 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.352 8.867 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.456 7.857 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.952 9.505 -7.580 1.00 0.00 H new ATOM 972 N ILE A 62 3.619 6.424 -5.204 1.00 0.00 N ATOM 973 CA ILE A 62 2.799 5.241 -4.970 1.00 0.00 C ATOM 974 C ILE A 62 1.527 5.281 -5.811 1.00 0.00 C ATOM 975 O ILE A 62 0.607 6.048 -5.527 1.00 0.00 O ATOM 976 CB ILE A 62 2.414 5.107 -3.484 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.656 5.228 -2.599 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.708 3.784 -3.235 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.356 5.723 -1.200 1.00 0.00 C ATOM 0 H ILE A 62 3.282 7.269 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 62 3.398 4.378 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 62 1.729 5.915 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.143 4.255 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.364 5.908 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.443 3.706 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.803 3.735 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.371 2.962 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.283 5.784 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.897 6.710 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.672 5.031 -0.708 1.00 0.00 H new ATOM 991 N TYR A 63 1.482 4.448 -6.846 1.00 0.00 N ATOM 992 CA TYR A 63 0.322 4.388 -7.729 1.00 0.00 C ATOM 993 C TYR A 63 -0.717 3.406 -7.195 1.00 0.00 C ATOM 994 O TYR A 63 -0.426 2.600 -6.311 1.00 0.00 O ATOM 995 CB TYR A 63 0.748 3.981 -9.140 1.00 0.00 C ATOM 996 CG TYR A 63 1.976 4.711 -9.636 1.00 0.00 C ATOM 997 CD1 TYR A 63 3.251 4.281 -9.289 1.00 0.00 C ATOM 998 CD2 TYR A 63 1.861 5.831 -10.451 1.00 0.00 C ATOM 999 CE1 TYR A 63 4.376 4.944 -9.741 1.00 0.00 C ATOM 1000 CE2 TYR A 63 2.982 6.500 -10.906 1.00 0.00 C ATOM 1001 CZ TYR A 63 4.236 6.053 -10.549 1.00 0.00 C ATOM 1002 OH TYR A 63 5.353 6.718 -11.000 1.00 0.00 O ATOM 0 H TYR A 63 2.235 3.806 -7.094 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.127 5.381 -7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.942 2.908 -9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.077 4.167 -9.827 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.365 3.414 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.880 6.184 -10.733 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.360 4.596 -9.463 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.876 7.369 -11.538 1.00 0.00 H new ATOM 0 HH TYR A 63 5.080 7.476 -11.558 1.00 0.00 H new ATOM 1012 N THR A 64 -1.926 3.480 -7.738 1.00 0.00 N ATOM 1013 CA THR A 64 -3.009 2.596 -7.317 1.00 0.00 C ATOM 1014 C THR A 64 -2.811 1.191 -7.876 1.00 0.00 C ATOM 1015 O THR A 64 -1.942 0.963 -8.718 1.00 0.00 O ATOM 1016 CB THR A 64 -4.358 3.155 -7.774 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.210 3.919 -8.957 1.00 0.00 O ATOM 1018 CG2 THR A 64 -5.021 4.036 -6.737 1.00 0.00 C ATOM 0 H THR A 64 -2.182 4.142 -8.470 1.00 0.00 H new ATOM 0 HA THR A 64 -2.998 2.539 -6.229 1.00 0.00 H new ATOM 0 HB THR A 64 -4.990 2.283 -7.945 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.032 3.864 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.973 4.400 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.195 3.460 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.373 4.883 -6.512 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.624 0.251 -7.402 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.538 -1.132 -7.854 1.00 0.00 C ATOM 1028 C ILE A 65 -3.776 -1.233 -9.358 1.00 0.00 C ATOM 1029 O ILE A 65 -3.162 -2.053 -10.040 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.555 -2.028 -7.117 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.377 -3.491 -7.530 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -5.977 -1.561 -7.397 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.028 -4.064 -7.156 1.00 0.00 C ATOM 0 H ILE A 65 -4.349 0.423 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.530 -1.480 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.373 -1.949 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.159 -4.090 -7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.512 -3.575 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.682 -2.204 -6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.097 -0.533 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.172 -1.611 -8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.972 -5.104 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.241 -3.490 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.898 -4.012 -6.075 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.670 -0.393 -9.869 1.00 0.00 N ATOM 1046 CA ASP A 66 -4.989 -0.387 -11.292 1.00 0.00 C ATOM 1047 C ASP A 66 -3.924 0.362 -12.085 1.00 0.00 C ATOM 1048 O ASP A 66 -3.472 -0.105 -13.131 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.360 0.251 -11.527 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.481 -0.769 -11.520 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.457 -1.684 -12.371 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.384 -0.654 -10.664 1.00 0.00 O ATOM 0 H ASP A 66 -5.187 0.293 -9.318 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.014 -1.421 -11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.547 0.998 -10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.355 0.775 -12.483 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.526 1.525 -11.581 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.517 2.320 -12.256 1.00 0.00 C ATOM 1059 C GLY A 67 -3.108 3.506 -12.991 1.00 0.00 C ATOM 1060 O GLY A 67 -2.757 3.770 -14.141 1.00 0.00 O ATOM 0 H GLY A 67 -3.884 1.931 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.790 2.675 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.977 1.691 -12.963 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.010 4.222 -12.328 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.652 5.387 -12.925 1.00 0.00 C ATOM 1066 C LEU A 68 -4.332 6.651 -12.134 1.00 0.00 C ATOM 1067 O LEU A 68 -4.023 7.694 -12.710 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.167 5.183 -12.989 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.614 3.787 -13.426 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.104 3.602 -13.181 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -6.282 3.557 -14.893 1.00 0.00 C ATOM 0 H LEU A 68 -4.313 4.016 -11.376 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.264 5.505 -13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.588 5.392 -12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.588 5.915 -13.678 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.074 3.051 -12.831 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.404 2.603 -13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.316 3.724 -12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.661 4.346 -13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.607 2.559 -15.187 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.795 4.300 -15.503 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.206 3.647 -15.041 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.407 6.550 -10.811 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.125 7.686 -9.940 1.00 0.00 C ATOM 1085 C LYS A 69 -2.856 7.447 -9.129 1.00 0.00 C ATOM 1086 O LYS A 69 -2.554 6.315 -8.748 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.305 7.939 -9.000 1.00 0.00 C ATOM 1088 CG LYS A 69 -6.457 8.685 -9.656 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.126 10.155 -9.857 1.00 0.00 C ATOM 1090 CE LYS A 69 -6.704 10.683 -11.160 1.00 0.00 C ATOM 1091 NZ LYS A 69 -6.740 12.172 -11.189 1.00 0.00 N ATOM 0 H LYS A 69 -4.661 5.694 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.974 8.565 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.670 6.984 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.957 8.510 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.687 8.228 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.350 8.593 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.519 10.735 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.044 10.289 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.107 10.318 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.713 10.293 -11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.141 12.492 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.330 12.520 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.774 12.545 -11.087 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.117 8.520 -8.867 1.00 0.00 N ATOM 1106 CA LYS A 70 -0.880 8.428 -8.099 1.00 0.00 C ATOM 1107 C LYS A 70 -1.042 9.073 -6.726 1.00 0.00 C ATOM 1108 O LYS A 70 -1.451 10.229 -6.617 1.00 0.00 O ATOM 1109 CB LYS A 70 0.266 9.097 -8.858 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.052 10.511 -9.319 1.00 0.00 C ATOM 1111 CD LYS A 70 -0.378 10.554 -10.803 1.00 0.00 C ATOM 1112 CE LYS A 70 0.827 10.981 -11.626 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.839 9.894 -11.736 1.00 0.00 N ATOM 0 H LYS A 70 -2.353 9.463 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.646 7.373 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.148 9.122 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.519 8.489 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.896 10.899 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.798 11.162 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.714 9.571 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.202 11.247 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.500 11.274 -12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.285 11.859 -11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.644 10.226 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.171 9.631 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.410 9.065 -12.194 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.719 8.318 -5.682 1.00 0.00 N ATOM 1128 CA ILE A 71 -0.829 8.817 -4.316 1.00 0.00 C ATOM 1129 C ILE A 71 0.321 9.758 -3.980 1.00 0.00 C ATOM 1130 O ILE A 71 1.490 9.382 -4.064 1.00 0.00 O ATOM 1131 CB ILE A 71 -0.847 7.663 -3.295 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -1.849 6.588 -3.723 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.184 8.188 -1.907 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.283 7.072 -3.751 1.00 0.00 C ATOM 0 H ILE A 71 -0.379 7.359 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.771 9.362 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 71 0.145 7.213 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.578 6.225 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.774 5.741 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.193 7.361 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.435 8.919 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.166 8.661 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.936 6.257 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.573 7.409 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.374 7.900 -4.455 1.00 0.00 H new ATOM 1146 N SER A 72 -0.017 10.985 -3.596 1.00 0.00 N ATOM 1147 CA SER A 72 0.989 11.980 -3.245 1.00 0.00 C ATOM 1148 C SER A 72 0.607 12.715 -1.963 1.00 0.00 C ATOM 1149 O SER A 72 1.018 13.855 -1.744 1.00 0.00 O ATOM 1150 CB SER A 72 1.165 12.983 -4.387 1.00 0.00 C ATOM 1151 OG SER A 72 2.263 13.845 -4.146 1.00 0.00 O ATOM 0 H SER A 72 -0.980 11.314 -3.520 1.00 0.00 H new ATOM 0 HA SER A 72 1.932 11.460 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.318 12.448 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.255 13.572 -4.501 1.00 0.00 H new ATOM 0 HG SER A 72 2.239 14.153 -3.216 1.00 0.00 H new ATOM 1157 N SER A 73 -0.180 12.056 -1.118 1.00 0.00 N ATOM 1158 CA SER A 73 -0.616 12.648 0.142 1.00 0.00 C ATOM 1159 C SER A 73 -1.185 11.583 1.073 1.00 0.00 C ATOM 1160 O SER A 73 -1.062 10.386 0.812 1.00 0.00 O ATOM 1161 CB SER A 73 -1.667 13.730 -0.115 1.00 0.00 C ATOM 1162 OG SER A 73 -1.317 14.528 -1.233 1.00 0.00 O ATOM 0 H SER A 73 -0.529 11.112 -1.283 1.00 0.00 H new ATOM 0 HA SER A 73 0.252 13.101 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.638 13.265 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.767 14.361 0.768 1.00 0.00 H new ATOM 0 HG SER A 73 -0.356 14.720 -1.210 1.00 0.00 H new ATOM 1168 N LEU A 74 -1.808 12.026 2.160 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.396 11.110 3.131 1.00 0.00 C ATOM 1170 C LEU A 74 -3.911 11.046 2.969 1.00 0.00 C ATOM 1171 O LEU A 74 -4.531 10.012 3.223 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.041 11.543 4.554 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.557 11.442 4.910 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.238 12.312 6.117 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.171 9.996 5.177 1.00 0.00 C ATOM 0 H LEU A 74 -1.919 13.013 2.391 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.986 10.116 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.363 12.575 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.610 10.933 5.256 1.00 0.00 H new ATOM 0 HG LEU A 74 0.026 11.803 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.822 12.228 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.477 13.351 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.830 11.981 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.888 9.943 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.761 9.609 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.363 9.398 4.286 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.504 12.157 2.545 1.00 0.00 N ATOM 1188 CA ASP A 75 -5.947 12.228 2.348 1.00 0.00 C ATOM 1189 C ASP A 75 -6.361 11.499 1.074 1.00 0.00 C ATOM 1190 O ASP A 75 -7.466 10.966 0.983 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.403 13.687 2.286 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.804 14.226 3.645 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -6.330 13.680 4.664 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -7.592 15.195 3.690 1.00 0.00 O ATOM 0 H ASP A 75 -4.007 13.021 2.331 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.428 11.739 3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.598 14.299 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.247 13.772 1.601 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.465 11.479 0.091 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.738 10.815 -1.178 1.00 0.00 C ATOM 1201 C GLN A 76 -6.045 9.336 -0.965 1.00 0.00 C ATOM 1202 O GLN A 76 -6.830 8.742 -1.704 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.545 10.968 -2.124 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.285 12.405 -2.548 1.00 0.00 C ATOM 1205 CD GLN A 76 -4.557 12.638 -4.021 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -5.490 12.070 -4.590 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -3.740 13.476 -4.648 1.00 0.00 N ATOM 0 H GLN A 76 -4.545 11.915 0.150 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.612 11.288 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.653 10.575 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.717 10.361 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.911 13.073 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.249 12.662 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.980 13.925 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.873 13.671 -5.640 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.422 8.748 0.051 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.629 7.339 0.363 1.00 0.00 C ATOM 1218 C LEU A 77 -7.075 7.080 0.775 1.00 0.00 C ATOM 1219 O LEU A 77 -7.829 8.013 1.051 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.682 6.897 1.480 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.226 6.703 1.054 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.326 6.579 2.273 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.091 5.479 0.161 1.00 0.00 C ATOM 0 H LEU A 77 -4.769 9.226 0.672 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.416 6.759 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.715 7.638 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.050 5.960 1.899 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.913 7.579 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.294 6.442 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.401 7.485 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.637 5.721 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.049 5.356 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.422 4.594 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.706 5.609 -0.730 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.455 5.808 0.815 1.00 0.00 N ATOM 1236 CA VAL A 78 -8.810 5.427 1.193 1.00 0.00 C ATOM 1237 C VAL A 78 -8.831 4.050 1.848 1.00 0.00 C ATOM 1238 O VAL A 78 -8.139 3.131 1.409 1.00 0.00 O ATOM 1239 CB VAL A 78 -9.753 5.418 -0.024 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.195 5.223 0.417 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.602 6.703 -0.824 1.00 0.00 C ATOM 0 H VAL A 78 -6.843 5.023 0.590 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.159 6.172 1.907 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.479 4.581 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.846 5.220 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.289 4.273 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.485 6.036 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.276 6.680 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.848 7.556 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.574 6.795 -1.174 1.00 0.00 H new ATOM 1251 N GLU A 79 -9.631 3.913 2.902 1.00 0.00 N ATOM 1252 CA GLU A 79 -9.743 2.647 3.617 1.00 0.00 C ATOM 1253 C GLU A 79 -10.246 1.543 2.695 1.00 0.00 C ATOM 1254 O GLU A 79 -11.267 1.697 2.023 1.00 0.00 O ATOM 1255 CB GLU A 79 -10.685 2.796 4.814 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.396 1.815 5.940 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.660 1.242 6.550 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.338 0.443 5.870 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.972 1.592 7.708 1.00 0.00 O ATOM 0 H GLU A 79 -10.210 4.663 3.279 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.751 2.372 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.610 3.812 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.712 2.658 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.779 1.001 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.818 2.317 6.715 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.525 0.426 2.668 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.915 -0.689 1.825 1.00 0.00 C ATOM 1268 C GLY A 80 -9.451 -0.522 0.391 1.00 0.00 C ATOM 1269 O GLY A 80 -10.238 -0.666 -0.544 1.00 0.00 O ATOM 0 H GLY A 80 -8.678 0.274 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.501 -1.611 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.000 -0.792 1.843 1.00 0.00 H new ATOM 1273 N GLU A 81 -8.168 -0.220 0.218 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.600 -0.034 -1.112 1.00 0.00 C ATOM 1275 C GLU A 81 -6.132 -0.446 -1.140 1.00 0.00 C ATOM 1276 O GLU A 81 -5.494 -0.574 -0.095 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.740 1.425 -1.550 1.00 0.00 C ATOM 1278 CG GLU A 81 -9.150 1.800 -1.975 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.697 0.885 -3.053 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.962 0.606 -4.024 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.859 0.446 -2.926 1.00 0.00 O ATOM 0 H GLU A 81 -7.503 -0.099 0.982 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.150 -0.669 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.432 2.073 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.057 1.614 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.808 1.766 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.155 2.827 -2.339 1.00 0.00 H new ATOM 1288 N SER A 82 -5.603 -0.652 -2.342 1.00 0.00 N ATOM 1289 CA SER A 82 -4.209 -1.051 -2.506 1.00 0.00 C ATOM 1290 C SER A 82 -3.467 -0.071 -3.409 1.00 0.00 C ATOM 1291 O SER A 82 -4.078 0.640 -4.206 1.00 0.00 O ATOM 1292 CB SER A 82 -4.127 -2.463 -3.088 1.00 0.00 C ATOM 1293 OG SER A 82 -4.709 -3.411 -2.210 1.00 0.00 O ATOM 0 H SER A 82 -6.118 -0.549 -3.216 1.00 0.00 H new ATOM 0 HA SER A 82 -3.735 -1.043 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.637 -2.493 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.085 -2.724 -3.271 1.00 0.00 H new ATOM 0 HG SER A 82 -4.646 -4.305 -2.606 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.145 -0.041 -3.279 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.317 0.851 -4.084 1.00 0.00 C ATOM 1301 C TYR A 83 0.070 0.258 -4.301 1.00 0.00 C ATOM 1302 O TYR A 83 0.715 -0.200 -3.357 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.201 2.219 -3.410 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.532 2.812 -3.007 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.110 2.505 -1.781 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.212 3.679 -3.854 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.326 3.045 -1.411 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.430 4.223 -3.490 1.00 0.00 C ATOM 1309 CZ TYR A 83 -4.982 3.903 -2.268 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.194 4.443 -1.902 1.00 0.00 O ATOM 0 H TYR A 83 -1.624 -0.624 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.796 0.972 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.572 2.126 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.697 2.907 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.600 1.833 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.782 3.932 -4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.761 2.796 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.946 4.895 -4.160 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.521 5.027 -2.618 1.00 0.00 H new ATOM 1320 N VAL A 84 0.525 0.270 -5.549 1.00 0.00 N ATOM 1321 CA VAL A 84 1.838 -0.265 -5.889 1.00 0.00 C ATOM 1322 C VAL A 84 2.929 0.775 -5.671 1.00 0.00 C ATOM 1323 O VAL A 84 2.949 1.817 -6.327 1.00 0.00 O ATOM 1324 CB VAL A 84 1.887 -0.744 -7.353 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.189 -1.478 -7.632 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.689 -1.628 -7.665 1.00 0.00 C ATOM 0 H VAL A 84 0.004 0.644 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 84 2.013 -1.115 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 84 1.844 0.129 -8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.205 -1.809 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.030 -0.809 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.267 -2.344 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.740 -1.957 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.698 -2.498 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.230 -1.064 -7.508 1.00 0.00 H new ATOM 1336 N CYS A 85 3.838 0.488 -4.744 1.00 0.00 N ATOM 1337 CA CYS A 85 4.935 1.399 -4.439 1.00 0.00 C ATOM 1338 C CYS A 85 5.913 1.485 -5.606 1.00 0.00 C ATOM 1339 O CYS A 85 6.292 0.468 -6.187 1.00 0.00 O ATOM 1340 CB CYS A 85 5.666 0.944 -3.175 1.00 0.00 C ATOM 1341 SG CYS A 85 4.793 1.324 -1.638 1.00 0.00 S ATOM 0 H CYS A 85 3.836 -0.369 -4.191 1.00 0.00 H new ATOM 0 HA CYS A 85 4.515 2.390 -4.270 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.829 -0.132 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.649 1.415 -3.148 1.00 0.00 H new ATOM 0 HG CYS A 85 5.534 2.093 -0.896 1.00 0.00 H new ATOM 1347 N GLY A 86 6.318 2.704 -5.944 1.00 0.00 N ATOM 1348 CA GLY A 86 7.250 2.899 -7.039 1.00 0.00 C ATOM 1349 C GLY A 86 8.056 4.175 -6.896 1.00 0.00 C ATOM 1350 O GLY A 86 7.687 5.067 -6.133 1.00 0.00 O ATOM 0 H GLY A 86 6.018 3.561 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.929 2.048 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.700 2.924 -7.980 1.00 0.00 H new ATOM 1354 N SER A 87 9.160 4.261 -7.631 1.00 0.00 N ATOM 1355 CA SER A 87 10.021 5.436 -7.582 1.00 0.00 C ATOM 1356 C SER A 87 10.564 5.772 -8.968 1.00 0.00 C ATOM 1357 O SER A 87 10.110 6.718 -9.610 1.00 0.00 O ATOM 1358 CB SER A 87 11.178 5.207 -6.609 1.00 0.00 C ATOM 1359 OG SER A 87 12.115 6.269 -6.669 1.00 0.00 O ATOM 0 H SER A 87 9.479 3.531 -8.268 1.00 0.00 H new ATOM 0 HA SER A 87 9.424 6.278 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.791 5.117 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.675 4.266 -6.845 1.00 0.00 H new ATOM 0 HG SER A 87 12.844 6.099 -6.036 1.00 0.00 H new ATOM 1365 N ILE A 88 11.537 4.989 -9.421 1.00 0.00 N ATOM 1366 CA ILE A 88 12.143 5.203 -10.731 1.00 0.00 C ATOM 1367 C ILE A 88 11.839 4.044 -11.674 1.00 0.00 C ATOM 1368 O ILE A 88 12.632 3.727 -12.561 1.00 0.00 O ATOM 1369 CB ILE A 88 13.669 5.372 -10.624 1.00 0.00 C ATOM 1370 CG1 ILE A 88 14.285 4.197 -9.864 1.00 0.00 C ATOM 1371 CG2 ILE A 88 14.009 6.689 -9.941 1.00 0.00 C ATOM 1372 CD1 ILE A 88 15.595 3.717 -10.451 1.00 0.00 C ATOM 0 H ILE A 88 11.923 4.201 -8.901 1.00 0.00 H new ATOM 0 HA ILE A 88 11.710 6.119 -11.132 1.00 0.00 H new ATOM 0 HB ILE A 88 14.088 5.387 -11.630 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.447 4.491 -8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.576 3.369 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.092 6.794 -9.873 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.600 7.516 -10.521 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.579 6.701 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.974 2.882 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.436 3.392 -11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 88 16.320 4.531 -10.436 1.00 0.00 H new ATOM 1384 N GLU A 89 10.686 3.414 -11.476 1.00 0.00 N ATOM 1385 CA GLU A 89 10.276 2.289 -12.309 1.00 0.00 C ATOM 1386 C GLU A 89 8.853 2.489 -12.831 1.00 0.00 C ATOM 1387 O GLU A 89 7.973 2.935 -12.095 1.00 0.00 O ATOM 1388 CB GLU A 89 10.361 0.983 -11.515 1.00 0.00 C ATOM 1389 CG GLU A 89 9.981 -0.247 -12.321 1.00 0.00 C ATOM 1390 CD GLU A 89 11.161 -0.849 -13.058 1.00 0.00 C ATOM 1391 OE1 GLU A 89 11.960 -0.078 -13.630 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.287 -2.092 -13.063 1.00 0.00 O ATOM 0 H GLU A 89 10.019 3.663 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 89 10.953 2.233 -13.162 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.377 0.861 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.707 1.053 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.554 -0.996 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.206 0.019 -13.040 1.00 0.00 H new ATOM 1399 N PRO A 90 8.607 2.162 -14.112 1.00 0.00 N ATOM 1400 CA PRO A 90 7.282 2.310 -14.723 1.00 0.00 C ATOM 1401 C PRO A 90 6.262 1.343 -14.131 1.00 0.00 C ATOM 1402 O PRO A 90 6.602 0.222 -13.753 1.00 0.00 O ATOM 1403 CB PRO A 90 7.527 1.992 -16.199 1.00 0.00 C ATOM 1404 CG PRO A 90 8.747 1.139 -16.207 1.00 0.00 C ATOM 1405 CD PRO A 90 9.596 1.623 -15.065 1.00 0.00 C ATOM 0 HA PRO A 90 6.866 3.303 -14.554 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.677 1.470 -16.638 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.677 2.902 -16.780 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.489 0.087 -16.083 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.279 1.227 -17.154 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.179 0.813 -14.625 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.304 2.387 -15.386 1.00 0.00 H new ATOM 1413 N PHE A 91 5.010 1.783 -14.056 1.00 0.00 N ATOM 1414 CA PHE A 91 3.941 0.956 -13.511 1.00 0.00 C ATOM 1415 C PHE A 91 3.780 -0.328 -14.318 1.00 0.00 C ATOM 1416 O PHE A 91 3.629 -0.292 -15.538 1.00 0.00 O ATOM 1417 CB PHE A 91 2.622 1.731 -13.499 1.00 0.00 C ATOM 1418 CG PHE A 91 1.516 1.021 -12.772 1.00 0.00 C ATOM 1419 CD1 PHE A 91 0.725 0.090 -13.426 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.266 1.286 -11.435 1.00 0.00 C ATOM 1421 CE1 PHE A 91 -0.294 -0.565 -12.759 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.249 0.635 -10.763 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.532 -0.292 -11.427 1.00 0.00 C ATOM 0 H PHE A 91 4.711 2.708 -14.366 1.00 0.00 H new ATOM 0 HA PHE A 91 4.209 0.691 -12.488 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.785 2.703 -13.035 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.310 1.917 -14.527 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.906 -0.127 -14.468 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.873 2.010 -10.912 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.903 -1.289 -13.280 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.065 0.850 -9.721 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.328 -0.802 -10.904 1.00 0.00 H new ATOM 1433 N LYS A 92 3.816 -1.464 -13.627 1.00 0.00 N ATOM 1434 CA LYS A 92 3.675 -2.760 -14.278 1.00 0.00 C ATOM 1435 C LYS A 92 2.322 -3.387 -13.956 1.00 0.00 C ATOM 1436 O LYS A 92 1.931 -3.477 -12.792 1.00 0.00 O ATOM 1437 CB LYS A 92 4.802 -3.698 -13.844 1.00 0.00 C ATOM 1438 CG LYS A 92 6.158 -3.329 -14.425 1.00 0.00 C ATOM 1439 CD LYS A 92 7.280 -3.596 -13.433 1.00 0.00 C ATOM 1440 CE LYS A 92 8.566 -2.902 -13.849 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.433 -3.784 -14.678 1.00 0.00 N ATOM 0 H LYS A 92 3.942 -1.512 -12.616 1.00 0.00 H new ATOM 0 HA LYS A 92 3.736 -2.606 -15.355 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.869 -3.693 -12.756 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.552 -4.716 -14.144 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.333 -3.901 -15.336 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.161 -2.275 -14.705 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.982 -3.250 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.452 -4.670 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.325 -1.999 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.113 -2.588 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.432 -3.567 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.243 -4.779 -14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.230 -3.623 -15.685 1.00 0.00 H new ATOM 1455 N LYS A 93 1.613 -3.818 -14.994 1.00 0.00 N ATOM 1456 CA LYS A 93 0.304 -4.438 -14.821 1.00 0.00 C ATOM 1457 C LYS A 93 0.444 -5.906 -14.430 1.00 0.00 C ATOM 1458 O LYS A 93 0.791 -6.748 -15.258 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.517 -4.310 -16.107 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.763 -3.454 -15.950 1.00 0.00 C ATOM 1461 CD LYS A 93 -3.029 -4.295 -15.996 1.00 0.00 C ATOM 1462 CE LYS A 93 -4.208 -3.560 -15.380 1.00 0.00 C ATOM 1463 NZ LYS A 93 -5.501 -4.236 -15.675 1.00 0.00 N ATOM 0 H LYS A 93 1.923 -3.750 -15.963 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.215 -3.918 -14.016 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.111 -3.883 -16.888 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.810 -5.305 -16.442 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.718 -2.915 -15.004 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.793 -2.706 -16.742 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.259 -4.552 -17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.864 -5.232 -15.464 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.071 -3.495 -14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.238 -2.539 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.279 -3.703 -15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.645 -4.276 -16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.483 -5.202 -15.290 1.00 0.00 H new ATOM 1477 N LEU A 94 0.170 -6.205 -13.165 1.00 0.00 N ATOM 1478 CA LEU A 94 0.265 -7.572 -12.664 1.00 0.00 C ATOM 1479 C LEU A 94 -0.950 -7.925 -11.814 1.00 0.00 C ATOM 1480 O LEU A 94 -1.705 -7.047 -11.397 1.00 0.00 O ATOM 1481 CB LEU A 94 1.545 -7.751 -11.846 1.00 0.00 C ATOM 1482 CG LEU A 94 2.835 -7.343 -12.560 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.023 -7.449 -11.617 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.054 -8.203 -13.795 1.00 0.00 C ATOM 0 H LEU A 94 -0.120 -5.519 -12.467 1.00 0.00 H new ATOM 0 HA LEU A 94 0.294 -8.245 -13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.456 -7.168 -10.929 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.626 -8.797 -11.552 1.00 0.00 H new ATOM 0 HG LEU A 94 2.740 -6.304 -12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.932 -7.155 -12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.869 -6.791 -10.762 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.121 -8.478 -11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.976 -7.899 -14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.128 -9.250 -13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.215 -8.077 -14.480 1.00 0.00 H new ATOM 1496 N GLU A 95 -1.135 -9.217 -11.561 1.00 0.00 N ATOM 1497 CA GLU A 95 -2.259 -9.686 -10.759 1.00 0.00 C ATOM 1498 C GLU A 95 -1.834 -9.929 -9.315 1.00 0.00 C ATOM 1499 O GLU A 95 -1.359 -11.011 -8.971 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.837 -10.970 -11.357 1.00 0.00 C ATOM 1501 CG GLU A 95 -3.105 -10.880 -12.849 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.833 -12.186 -13.570 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -1.655 -12.457 -13.884 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -3.799 -12.938 -13.821 1.00 0.00 O ATOM 0 H GLU A 95 -0.521 -9.958 -11.900 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.027 -8.912 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.145 -11.791 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.767 -11.213 -10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.143 -10.589 -13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.483 -10.095 -13.279 1.00 0.00 H new ATOM 1511 N TYR A 96 -2.009 -8.915 -8.474 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.645 -9.019 -7.065 1.00 0.00 C ATOM 1513 C TYR A 96 -2.815 -9.538 -6.236 1.00 0.00 C ATOM 1514 O TYR A 96 -2.684 -10.518 -5.503 1.00 0.00 O ATOM 1515 CB TYR A 96 -1.194 -7.659 -6.530 1.00 0.00 C ATOM 1516 CG TYR A 96 -0.122 -7.000 -7.368 1.00 0.00 C ATOM 1517 CD1 TYR A 96 -0.455 -6.211 -8.462 1.00 0.00 C ATOM 1518 CD2 TYR A 96 1.223 -7.163 -7.063 1.00 0.00 C ATOM 1519 CE1 TYR A 96 0.523 -5.605 -9.229 1.00 0.00 C ATOM 1520 CE2 TYR A 96 2.207 -6.561 -7.825 1.00 0.00 C ATOM 1521 CZ TYR A 96 1.851 -5.783 -8.906 1.00 0.00 C ATOM 1522 OH TYR A 96 2.827 -5.181 -9.666 1.00 0.00 O ATOM 0 H TYR A 96 -2.400 -8.012 -8.743 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.821 -9.727 -6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.058 -6.996 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.822 -7.784 -5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.495 -6.069 -8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.505 -7.771 -6.216 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.248 -4.995 -10.077 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.248 -6.699 -7.575 1.00 0.00 H new ATOM 0 HH TYR A 96 3.250 -4.464 -9.148 1.00 0.00 H new ATOM 1532 N THR A 97 -3.960 -8.873 -6.355 1.00 0.00 N ATOM 1533 CA THR A 97 -5.155 -9.265 -5.616 1.00 0.00 C ATOM 1534 C THR A 97 -5.542 -10.709 -5.921 1.00 0.00 C ATOM 1535 O THR A 97 -6.165 -11.380 -5.099 1.00 0.00 O ATOM 1536 CB THR A 97 -6.318 -8.332 -5.957 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.571 -8.334 -7.350 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.077 -6.898 -5.537 1.00 0.00 C ATOM 0 H THR A 97 -4.085 -8.059 -6.957 1.00 0.00 H new ATOM 0 HA THR A 97 -4.932 -9.188 -4.552 1.00 0.00 H new ATOM 0 HB THR A 97 -7.171 -8.719 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.319 -7.733 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.940 -6.290 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.927 -6.855 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.190 -6.515 -6.042 1.00 0.00 H new ATOM 1546 N LYS A 98 -5.169 -11.182 -7.106 1.00 0.00 N ATOM 1547 CA LYS A 98 -5.480 -12.547 -7.517 1.00 0.00 C ATOM 1548 C LYS A 98 -4.935 -13.557 -6.512 1.00 0.00 C ATOM 1549 O LYS A 98 -5.573 -14.572 -6.229 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.898 -12.828 -8.905 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.544 -14.011 -9.606 1.00 0.00 C ATOM 1552 CD LYS A 98 -4.621 -14.606 -10.657 1.00 0.00 C ATOM 1553 CE LYS A 98 -5.407 -15.252 -11.787 1.00 0.00 C ATOM 1554 NZ LYS A 98 -5.531 -16.726 -11.606 1.00 0.00 N ATOM 0 H LYS A 98 -4.651 -10.641 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.564 -12.650 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.015 -11.940 -9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.828 -13.012 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.801 -14.774 -8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.475 -13.693 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.976 -13.825 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.971 -15.348 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.401 -14.808 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.915 -15.043 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.073 -17.128 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.583 -17.154 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.023 -16.926 -10.712 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.754 -13.274 -5.974 1.00 0.00 N ATOM 1569 CA ASN A 99 -3.126 -14.159 -4.999 1.00 0.00 C ATOM 1570 C ASN A 99 -3.231 -13.583 -3.589 1.00 0.00 C ATOM 1571 O ASN A 99 -2.408 -13.880 -2.725 1.00 0.00 O ATOM 1572 CB ASN A 99 -1.657 -14.389 -5.359 1.00 0.00 C ATOM 1573 CG ASN A 99 -1.470 -14.770 -6.814 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -1.652 -15.927 -7.193 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -1.105 -13.796 -7.639 1.00 0.00 N ATOM 0 H ASN A 99 -3.212 -12.439 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.653 -15.113 -5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.088 -13.484 -5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.250 -15.177 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.964 -13.993 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.965 -12.851 -7.282 1.00 0.00 H new ATOM 1582 N VAL A 100 -4.250 -12.759 -3.365 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.463 -12.144 -2.060 1.00 0.00 C ATOM 1584 C VAL A 100 -5.950 -12.016 -1.750 1.00 0.00 C ATOM 1585 O VAL A 100 -6.745 -11.654 -2.618 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.810 -10.750 -1.983 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.906 -10.191 -0.572 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.362 -10.814 -2.442 1.00 0.00 C ATOM 0 H VAL A 100 -4.941 -12.502 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.996 -12.796 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.350 -10.079 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.439 -9.206 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.954 -10.106 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.393 -10.859 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.917 -9.821 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.807 -11.500 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.322 -11.167 -3.473 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.318 -12.315 -0.510 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.712 -12.233 -0.087 1.00 0.00 C ATOM 1600 C ASN A 101 -8.229 -10.799 -0.189 1.00 0.00 C ATOM 1601 O ASN A 101 -7.633 -9.877 0.366 1.00 0.00 O ATOM 1602 CB ASN A 101 -7.859 -12.740 1.349 1.00 0.00 C ATOM 1603 CG ASN A 101 -7.213 -14.097 1.554 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -6.440 -14.294 2.490 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -7.530 -15.040 0.674 1.00 0.00 N ATOM 0 H ASN A 101 -5.672 -12.616 0.220 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.306 -12.861 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.410 -12.020 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.917 -12.803 1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.127 -15.973 0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.176 -14.831 -0.087 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.352 -10.589 -0.903 1.00 0.00 N ATOM 1613 CA PRO A 102 -9.940 -9.256 -1.070 1.00 0.00 C ATOM 1614 C PRO A 102 -10.617 -8.749 0.201 1.00 0.00 C ATOM 1615 O PRO A 102 -10.991 -7.579 0.291 1.00 0.00 O ATOM 1616 CB PRO A 102 -10.974 -9.464 -2.177 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.366 -10.895 -2.058 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.133 -11.628 -1.603 1.00 0.00 C ATOM 0 HA PRO A 102 -9.184 -8.506 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.833 -8.805 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.553 -9.248 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.179 -11.018 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.720 -11.283 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.381 -12.458 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.581 -12.046 -2.445 1.00 0.00 H new ATOM 1626 N ASN A 103 -10.773 -9.634 1.183 1.00 0.00 N ATOM 1627 CA ASN A 103 -11.407 -9.270 2.445 1.00 0.00 C ATOM 1628 C ASN A 103 -10.362 -8.952 3.511 1.00 0.00 C ATOM 1629 O ASN A 103 -10.602 -9.140 4.704 1.00 0.00 O ATOM 1630 CB ASN A 103 -12.317 -10.400 2.928 1.00 0.00 C ATOM 1631 CG ASN A 103 -11.629 -11.752 2.895 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -11.024 -12.129 1.891 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -11.721 -12.489 3.995 1.00 0.00 N ATOM 0 H ASN A 103 -10.469 -10.606 1.128 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.007 -8.376 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.646 -10.188 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -13.210 -10.435 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.280 -13.408 4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -12.233 -12.136 4.804 1.00 0.00 H new ATOM 1640 N TRP A 104 -9.203 -8.471 3.074 1.00 0.00 N ATOM 1641 CA TRP A 104 -8.124 -8.127 3.991 1.00 0.00 C ATOM 1642 C TRP A 104 -8.543 -6.999 4.931 1.00 0.00 C ATOM 1643 O TRP A 104 -8.027 -6.883 6.042 1.00 0.00 O ATOM 1644 CB TRP A 104 -6.871 -7.718 3.212 1.00 0.00 C ATOM 1645 CG TRP A 104 -7.111 -6.606 2.237 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.606 -6.720 0.969 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.864 -5.210 2.448 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.683 -5.481 0.380 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -7.233 -4.539 1.267 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.368 -4.464 3.521 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -7.122 -3.157 1.130 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -6.258 -3.093 3.383 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.632 -2.452 2.196 1.00 0.00 C ATOM 0 H TRP A 104 -8.987 -8.311 2.090 1.00 0.00 H new ATOM 0 HA TRP A 104 -7.899 -9.009 4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -6.098 -7.412 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -6.487 -8.585 2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.895 -7.648 0.498 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -8.020 -5.293 -0.564 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -6.076 -4.950 4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.412 -2.660 0.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.877 -2.506 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.532 -1.379 2.120 1.00 0.00 H new ATOM 1664 N SER A 105 -9.481 -6.173 4.479 1.00 0.00 N ATOM 1665 CA SER A 105 -9.966 -5.057 5.283 1.00 0.00 C ATOM 1666 C SER A 105 -11.217 -5.452 6.066 1.00 0.00 C ATOM 1667 O SER A 105 -12.197 -4.709 6.111 1.00 0.00 O ATOM 1668 CB SER A 105 -10.259 -3.849 4.387 1.00 0.00 C ATOM 1669 OG SER A 105 -9.307 -2.821 4.592 1.00 0.00 O ATOM 0 H SER A 105 -9.920 -6.255 3.562 1.00 0.00 H new ATOM 0 HA SER A 105 -9.189 -4.787 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.248 -4.156 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.259 -3.470 4.597 1.00 0.00 H new ATOM 0 HG SER A 105 -8.455 -3.077 4.181 1.00 0.00 H new