USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=20 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 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.0272 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.186 K(o=-0.19,f=-3.2!) 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 -176:sc= -4.1! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 101:sc= 0.0488 USER MOD Single : A 50 SER OG : rot 14:sc= -0.0986 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.05 X(o=-2,f=-1.7) USER MOD Single : A 57 GLN : amide:sc=-0.00459 X(o=-0.0046,f=-0.013) 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 180:sc= 0.203 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 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 35:sc= -1.87 USER MOD Single : A 87 SER OG : rot 180:sc= -1.94! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.24 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= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= 0.928 K(o=0.93,f=-0.061) USER MOD Single : A 105 SER OG : rot 45:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.126 4.860 11.346 1.00 0.00 N ATOM 113 CA ALA A 10 -6.975 4.325 10.629 1.00 0.00 C ATOM 114 C ALA A 10 -7.384 3.772 9.268 1.00 0.00 C ATOM 115 O ALA A 10 -8.134 2.799 9.182 1.00 0.00 O ATOM 116 CB ALA A 10 -6.292 3.247 11.457 1.00 0.00 C ATOM 0 HA ALA A 10 -6.271 5.140 10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.434 2.856 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.956 3.673 12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.996 2.438 11.653 1.00 0.00 H new ATOM 122 N LYS A 11 -6.888 4.398 8.206 1.00 0.00 N ATOM 123 CA LYS A 11 -7.202 3.967 6.849 1.00 0.00 C ATOM 124 C LYS A 11 -6.348 2.768 6.448 1.00 0.00 C ATOM 125 O LYS A 11 -5.140 2.892 6.249 1.00 0.00 O ATOM 126 CB LYS A 11 -6.986 5.119 5.864 1.00 0.00 C ATOM 127 CG LYS A 11 -8.280 5.742 5.365 1.00 0.00 C ATOM 128 CD LYS A 11 -8.610 7.021 6.116 1.00 0.00 C ATOM 129 CE LYS A 11 -7.828 8.205 5.570 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.644 9.451 5.557 1.00 0.00 N ATOM 0 H LYS A 11 -6.267 5.205 8.259 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.250 3.667 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.383 5.889 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.415 4.754 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.194 5.956 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.097 5.029 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.678 7.223 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.384 6.891 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.936 8.362 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.490 7.982 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.075 10.235 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.482 9.311 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.945 9.679 6.526 1.00 0.00 H new ATOM 144 N LYS A 12 -6.986 1.608 6.330 1.00 0.00 N ATOM 145 CA LYS A 12 -6.285 0.386 5.952 1.00 0.00 C ATOM 146 C LYS A 12 -5.884 0.422 4.481 1.00 0.00 C ATOM 147 O LYS A 12 -6.733 0.552 3.599 1.00 0.00 O ATOM 148 CB LYS A 12 -7.166 -0.836 6.222 1.00 0.00 C ATOM 149 CG LYS A 12 -7.288 -1.182 7.698 1.00 0.00 C ATOM 150 CD LYS A 12 -6.438 -2.390 8.060 1.00 0.00 C ATOM 151 CE LYS A 12 -6.061 -2.383 9.533 1.00 0.00 C ATOM 152 NZ LYS A 12 -5.215 -3.554 9.895 1.00 0.00 N ATOM 0 H LYS A 12 -7.986 1.488 6.490 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.380 0.314 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.161 -0.653 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.757 -1.694 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.981 -0.327 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.331 -1.384 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.984 -3.304 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.534 -2.396 7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.526 -1.463 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.967 -2.388 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.980 -3.513 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.735 -4.433 9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.339 -3.536 9.335 1.00 0.00 H new ATOM 166 N VAL A 13 -4.585 0.306 4.224 1.00 0.00 N ATOM 167 CA VAL A 13 -4.072 0.325 2.860 1.00 0.00 C ATOM 168 C VAL A 13 -2.941 -0.683 2.684 1.00 0.00 C ATOM 169 O VAL A 13 -2.033 -0.762 3.511 1.00 0.00 O ATOM 170 CB VAL A 13 -3.561 1.725 2.471 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.722 2.695 2.321 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.561 2.234 3.499 1.00 0.00 C ATOM 0 H VAL A 13 -3.869 0.198 4.943 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.902 0.055 2.207 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.053 1.651 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.341 3.679 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.397 2.337 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.261 2.766 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.211 3.224 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.041 2.292 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.713 1.551 3.551 1.00 0.00 H new ATOM 182 N ARG A 14 -3.003 -1.451 1.601 1.00 0.00 N ATOM 183 CA ARG A 14 -1.983 -2.454 1.316 1.00 0.00 C ATOM 184 C ARG A 14 -1.018 -1.960 0.244 1.00 0.00 C ATOM 185 O ARG A 14 -1.438 -1.490 -0.814 1.00 0.00 O ATOM 186 CB ARG A 14 -2.637 -3.762 0.868 1.00 0.00 C ATOM 187 CG ARG A 14 -1.858 -5.002 1.277 1.00 0.00 C ATOM 188 CD ARG A 14 -2.786 -6.126 1.708 1.00 0.00 C ATOM 189 NE ARG A 14 -2.072 -7.181 2.424 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.639 -8.314 2.832 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.925 -8.543 2.597 1.00 0.00 N ATOM 192 NH2 ARG A 14 -1.918 -9.221 3.476 1.00 0.00 N ATOM 0 H ARG A 14 -3.748 -1.398 0.907 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.418 -2.633 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.641 -3.819 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.745 -3.752 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.242 -5.337 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.181 -4.754 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.572 -5.723 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.274 -6.550 0.830 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.081 -7.041 2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.484 -7.849 2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.354 -9.413 2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.929 -9.051 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.352 -10.089 3.789 1.00 0.00 H new ATOM 206 N PHE A 15 0.276 -2.069 0.524 1.00 0.00 N ATOM 207 CA PHE A 15 1.302 -1.633 -0.417 1.00 0.00 C ATOM 208 C PHE A 15 2.083 -2.825 -0.960 1.00 0.00 C ATOM 209 O PHE A 15 2.586 -3.650 -0.197 1.00 0.00 O ATOM 210 CB PHE A 15 2.258 -0.648 0.258 1.00 0.00 C ATOM 211 CG PHE A 15 1.629 0.679 0.574 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.031 1.432 -0.424 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.636 1.173 1.868 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.451 2.653 -0.136 1.00 0.00 C ATOM 215 CE2 PHE A 15 1.059 2.394 2.162 1.00 0.00 C ATOM 216 CZ PHE A 15 0.466 3.135 1.158 1.00 0.00 C ATOM 0 H PHE A 15 0.640 -2.456 1.395 1.00 0.00 H new ATOM 0 HA PHE A 15 0.807 -1.135 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.632 -1.092 1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.119 -0.487 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.018 1.061 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.098 0.597 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.014 3.230 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.072 2.768 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.015 4.090 1.385 1.00 0.00 H new ATOM 226 N TYR A 16 2.181 -2.909 -2.283 1.00 0.00 N ATOM 227 CA TYR A 16 2.902 -3.999 -2.929 1.00 0.00 C ATOM 228 C TYR A 16 4.175 -3.490 -3.597 1.00 0.00 C ATOM 229 O TYR A 16 4.449 -2.290 -3.598 1.00 0.00 O ATOM 230 CB TYR A 16 2.009 -4.686 -3.963 1.00 0.00 C ATOM 231 CG TYR A 16 0.699 -5.187 -3.396 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.677 -6.115 -2.363 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.515 -4.730 -3.894 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.517 -6.575 -1.843 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.714 -5.185 -3.378 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.710 -6.107 -2.353 1.00 0.00 C ATOM 237 OH TYR A 16 -2.901 -6.562 -1.838 1.00 0.00 O ATOM 0 H TYR A 16 1.770 -2.235 -2.929 1.00 0.00 H new ATOM 0 HA TYR A 16 3.181 -4.722 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.801 -3.987 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.551 -5.525 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.609 -6.483 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.522 -4.008 -4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.516 -7.298 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.649 -4.820 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.646 -6.132 -2.308 1.00 0.00 H new ATOM 247 N ARG A 17 4.949 -4.409 -4.163 1.00 0.00 N ATOM 248 CA ARG A 17 6.193 -4.052 -4.835 1.00 0.00 C ATOM 249 C ARG A 17 5.989 -3.955 -6.343 1.00 0.00 C ATOM 250 O ARG A 17 5.498 -4.890 -6.975 1.00 0.00 O ATOM 251 CB ARG A 17 7.281 -5.081 -4.520 1.00 0.00 C ATOM 252 CG ARG A 17 8.653 -4.465 -4.292 1.00 0.00 C ATOM 253 CD ARG A 17 9.089 -4.588 -2.841 1.00 0.00 C ATOM 254 NE ARG A 17 9.476 -5.955 -2.500 1.00 0.00 N ATOM 255 CZ ARG A 17 10.208 -6.275 -1.436 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.634 -5.331 -0.606 1.00 0.00 N ATOM 257 NH2 ARG A 17 10.516 -7.543 -1.200 1.00 0.00 N ATOM 0 H ARG A 17 4.737 -5.407 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 17 6.508 -3.076 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.992 -5.643 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.344 -5.794 -5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.384 -4.956 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.632 -3.413 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.928 -3.917 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.276 -4.268 -2.190 1.00 0.00 H new ATOM 0 HE ARG A 17 9.167 -6.709 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.401 -4.354 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.195 -5.583 0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.192 -8.273 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.077 -7.788 -0.384 1.00 0.00 H new ATOM 271 N ASN A 18 6.369 -2.816 -6.914 1.00 0.00 N ATOM 272 CA ASN A 18 6.228 -2.597 -8.349 1.00 0.00 C ATOM 273 C ASN A 18 7.023 -3.631 -9.138 1.00 0.00 C ATOM 274 O ASN A 18 8.250 -3.563 -9.210 1.00 0.00 O ATOM 275 CB ASN A 18 6.694 -1.187 -8.718 1.00 0.00 C ATOM 276 CG ASN A 18 5.950 -0.627 -9.915 1.00 0.00 C ATOM 277 OD1 ASN A 18 4.835 -1.048 -10.220 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.568 0.329 -10.600 1.00 0.00 N ATOM 0 H ASN A 18 6.776 -2.031 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 18 5.174 -2.703 -8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.552 -0.525 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.762 -1.205 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.118 0.745 -11.415 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.493 0.647 -10.311 1.00 0.00 H new ATOM 285 N GLY A 19 6.316 -4.589 -9.729 1.00 0.00 N ATOM 286 CA GLY A 19 6.974 -5.624 -10.505 1.00 0.00 C ATOM 287 C GLY A 19 7.260 -6.869 -9.687 1.00 0.00 C ATOM 288 O GLY A 19 8.327 -7.470 -9.812 1.00 0.00 O ATOM 0 H GLY A 19 5.300 -4.667 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.348 -5.889 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.909 -5.234 -10.906 1.00 0.00 H new ATOM 292 N ASP A 20 6.304 -7.255 -8.848 1.00 0.00 N ATOM 293 CA ASP A 20 6.458 -8.436 -8.007 1.00 0.00 C ATOM 294 C ASP A 20 5.099 -8.984 -7.582 1.00 0.00 C ATOM 295 O ASP A 20 4.429 -8.411 -6.722 1.00 0.00 O ATOM 296 CB ASP A 20 7.298 -8.102 -6.772 1.00 0.00 C ATOM 297 CG ASP A 20 8.395 -9.119 -6.525 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.475 -8.987 -7.138 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.173 -10.048 -5.721 1.00 0.00 O ATOM 0 H ASP A 20 5.415 -6.768 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 20 6.970 -9.202 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.743 -7.115 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.649 -8.052 -5.898 1.00 0.00 H new ATOM 304 N ARG A 21 4.698 -10.095 -8.191 1.00 0.00 N ATOM 305 CA ARG A 21 3.419 -10.720 -7.875 1.00 0.00 C ATOM 306 C ARG A 21 3.568 -11.716 -6.729 1.00 0.00 C ATOM 307 O ARG A 21 2.637 -11.927 -5.952 1.00 0.00 O ATOM 308 CB ARG A 21 2.854 -11.426 -9.109 1.00 0.00 C ATOM 309 CG ARG A 21 3.779 -12.492 -9.678 1.00 0.00 C ATOM 310 CD ARG A 21 4.180 -12.186 -11.114 1.00 0.00 C ATOM 311 NE ARG A 21 3.684 -13.194 -12.047 1.00 0.00 N ATOM 312 CZ ARG A 21 2.420 -13.266 -12.458 1.00 0.00 C ATOM 313 NH1 ARG A 21 1.521 -12.392 -12.021 1.00 0.00 N ATOM 314 NH2 ARG A 21 2.052 -14.215 -13.309 1.00 0.00 N ATOM 0 H ARG A 21 5.240 -10.581 -8.906 1.00 0.00 H new ATOM 0 HA ARG A 21 2.728 -9.937 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.900 -11.885 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.651 -10.684 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.673 -12.565 -9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.283 -13.462 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.793 -11.207 -11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.266 -12.131 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 21 4.345 -13.883 -12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.797 -11.660 -11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.554 -12.453 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.738 -14.890 -13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.083 -14.270 -13.624 1.00 0.00 H new ATOM 328 N TYR A 22 4.745 -12.325 -6.631 1.00 0.00 N ATOM 329 CA TYR A 22 5.015 -13.299 -5.580 1.00 0.00 C ATOM 330 C TYR A 22 4.865 -12.667 -4.200 1.00 0.00 C ATOM 331 O TYR A 22 4.424 -13.318 -3.253 1.00 0.00 O ATOM 332 CB TYR A 22 6.424 -13.875 -5.740 1.00 0.00 C ATOM 333 CG TYR A 22 6.539 -14.893 -6.851 1.00 0.00 C ATOM 334 CD1 TYR A 22 6.516 -14.501 -8.184 1.00 0.00 C ATOM 335 CD2 TYR A 22 6.671 -16.247 -6.568 1.00 0.00 C ATOM 336 CE1 TYR A 22 6.620 -15.429 -9.203 1.00 0.00 C ATOM 337 CE2 TYR A 22 6.777 -17.181 -7.582 1.00 0.00 C ATOM 338 CZ TYR A 22 6.751 -16.767 -8.896 1.00 0.00 C ATOM 339 OH TYR A 22 6.856 -17.693 -9.908 1.00 0.00 O ATOM 0 H TYR A 22 5.526 -12.161 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 22 4.287 -14.105 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.121 -13.059 -5.932 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.727 -14.339 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.415 -13.454 -8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.691 -16.575 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.599 -15.108 -10.234 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.880 -18.230 -7.345 1.00 0.00 H new ATOM 0 HH TYR A 22 6.943 -18.590 -9.523 1.00 0.00 H new ATOM 349 N PHE A 23 5.234 -11.395 -4.094 1.00 0.00 N ATOM 350 CA PHE A 23 5.140 -10.675 -2.830 1.00 0.00 C ATOM 351 C PHE A 23 3.694 -10.607 -2.350 1.00 0.00 C ATOM 352 O PHE A 23 2.791 -10.269 -3.116 1.00 0.00 O ATOM 353 CB PHE A 23 5.707 -9.262 -2.980 1.00 0.00 C ATOM 354 CG PHE A 23 6.008 -8.594 -1.669 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.794 -9.226 -0.719 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.504 -7.334 -1.386 1.00 0.00 C ATOM 357 CE1 PHE A 23 7.072 -8.614 0.489 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.779 -6.717 -0.181 1.00 0.00 C ATOM 359 CZ PHE A 23 6.564 -7.358 0.758 1.00 0.00 C ATOM 0 H PHE A 23 5.601 -10.842 -4.868 1.00 0.00 H new ATOM 0 HA PHE A 23 5.726 -11.217 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.620 -9.307 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.995 -8.651 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.194 -10.208 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.889 -6.829 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.686 -9.117 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.381 -5.735 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.780 -6.878 1.701 1.00 0.00 H new ATOM 369 N LYS A 24 3.481 -10.931 -1.079 1.00 0.00 N ATOM 370 CA LYS A 24 2.144 -10.907 -0.498 1.00 0.00 C ATOM 371 C LYS A 24 1.690 -9.476 -0.232 1.00 0.00 C ATOM 372 O LYS A 24 0.500 -9.168 -0.298 1.00 0.00 O ATOM 373 CB LYS A 24 2.115 -11.714 0.801 1.00 0.00 C ATOM 374 CG LYS A 24 2.254 -13.213 0.589 1.00 0.00 C ATOM 375 CD LYS A 24 2.235 -13.966 1.910 1.00 0.00 C ATOM 376 CE LYS A 24 3.593 -13.932 2.591 1.00 0.00 C ATOM 377 NZ LYS A 24 3.940 -15.243 3.206 1.00 0.00 N ATOM 0 H LYS A 24 4.217 -11.213 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 24 1.457 -11.359 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.921 -11.371 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.179 -11.514 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.442 -13.569 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.185 -13.422 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.485 -13.528 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.940 -15.001 1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.357 -13.659 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.594 -13.159 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.873 -15.177 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.225 -15.492 3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.964 -15.977 2.469 1.00 0.00 H new ATOM 391 N GLY A 25 2.647 -8.604 0.070 1.00 0.00 N ATOM 392 CA GLY A 25 2.325 -7.215 0.343 1.00 0.00 C ATOM 393 C GLY A 25 2.334 -6.898 1.825 1.00 0.00 C ATOM 394 O GLY A 25 2.387 -7.802 2.660 1.00 0.00 O ATOM 0 H GLY A 25 3.639 -8.834 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.042 -6.572 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.342 -6.986 -0.068 1.00 0.00 H new ATOM 398 N ILE A 26 2.282 -5.611 2.154 1.00 0.00 N ATOM 399 CA ILE A 26 2.285 -5.178 3.546 1.00 0.00 C ATOM 400 C ILE A 26 1.148 -4.197 3.816 1.00 0.00 C ATOM 401 O ILE A 26 0.981 -3.210 3.099 1.00 0.00 O ATOM 402 CB ILE A 26 3.627 -4.518 3.926 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.646 -4.165 5.415 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.871 -3.279 3.078 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.037 -3.917 5.958 1.00 0.00 C ATOM 0 H ILE A 26 2.237 -4.851 1.476 1.00 0.00 H new ATOM 0 HA ILE A 26 2.144 -6.069 4.158 1.00 0.00 H new ATOM 0 HB ILE A 26 4.430 -5.229 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.037 -3.276 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.183 -4.975 5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.822 -2.827 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.900 -3.559 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.066 -2.562 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.975 -3.672 7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.644 -4.813 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.495 -3.087 5.420 1.00 0.00 H new ATOM 417 N VAL A 27 0.368 -4.476 4.856 1.00 0.00 N ATOM 418 CA VAL A 27 -0.753 -3.619 5.222 1.00 0.00 C ATOM 419 C VAL A 27 -0.273 -2.361 5.937 1.00 0.00 C ATOM 420 O VAL A 27 0.824 -2.334 6.497 1.00 0.00 O ATOM 421 CB VAL A 27 -1.754 -4.360 6.128 1.00 0.00 C ATOM 422 CG1 VAL A 27 -3.008 -3.525 6.333 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.100 -5.720 5.541 1.00 0.00 C ATOM 0 H VAL A 27 0.492 -5.289 5.460 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.252 -3.338 4.295 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.288 -4.518 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.704 -4.065 6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.742 -2.578 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.479 -3.333 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.808 -6.229 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.546 -5.588 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.194 -6.319 5.452 1.00 0.00 H new ATOM 433 N TYR A 28 -1.100 -1.322 5.916 1.00 0.00 N ATOM 434 CA TYR A 28 -0.760 -0.060 6.563 1.00 0.00 C ATOM 435 C TYR A 28 -2.015 0.651 7.059 1.00 0.00 C ATOM 436 O TYR A 28 -3.000 0.775 6.331 1.00 0.00 O ATOM 437 CB TYR A 28 0.006 0.843 5.595 1.00 0.00 C ATOM 438 CG TYR A 28 1.506 0.796 5.779 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.141 1.642 6.680 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.286 -0.095 5.053 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.512 1.601 6.851 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.658 -0.142 5.219 1.00 0.00 C ATOM 443 CZ TYR A 28 4.265 0.708 6.119 1.00 0.00 C ATOM 444 OH TYR A 28 5.630 0.665 6.287 1.00 0.00 O ATOM 0 H TYR A 28 -2.011 -1.329 5.458 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.125 -0.279 7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.235 0.552 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.335 1.870 5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.554 2.342 7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.813 -0.762 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.991 2.265 7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.251 -0.841 4.647 1.00 0.00 H new ATOM 0 HH TYR A 28 6.011 -0.019 5.697 1.00 0.00 H new ATOM 454 N ALA A 29 -1.972 1.118 8.303 1.00 0.00 N ATOM 455 CA ALA A 29 -3.105 1.817 8.897 1.00 0.00 C ATOM 456 C ALA A 29 -2.796 3.298 9.087 1.00 0.00 C ATOM 457 O ALA A 29 -2.060 3.677 9.998 1.00 0.00 O ATOM 458 CB ALA A 29 -3.481 1.179 10.225 1.00 0.00 C ATOM 0 H ALA A 29 -1.164 1.025 8.919 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.951 1.734 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.328 1.711 10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.752 0.136 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.633 1.232 10.907 1.00 0.00 H new ATOM 464 N ILE A 30 -3.363 4.132 8.221 1.00 0.00 N ATOM 465 CA ILE A 30 -3.147 5.572 8.293 1.00 0.00 C ATOM 466 C ILE A 30 -4.049 6.211 9.344 1.00 0.00 C ATOM 467 O ILE A 30 -5.209 6.521 9.074 1.00 0.00 O ATOM 468 CB ILE A 30 -3.405 6.249 6.933 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.701 5.481 5.813 1.00 0.00 C ATOM 470 CG2 ILE A 30 -2.938 7.697 6.966 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.199 5.405 5.984 1.00 0.00 C ATOM 0 H ILE A 30 -3.975 3.835 7.461 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.104 5.721 8.572 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.477 6.237 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.105 4.470 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.926 5.958 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.127 8.162 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.482 8.237 7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.870 7.730 7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.766 4.847 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.783 6.412 6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.965 4.901 6.922 1.00 0.00 H new ATOM 483 N SER A 31 -3.508 6.406 10.542 1.00 0.00 N ATOM 484 CA SER A 31 -4.264 7.010 11.634 1.00 0.00 C ATOM 485 C SER A 31 -3.706 8.387 11.986 1.00 0.00 C ATOM 486 O SER A 31 -2.509 8.637 11.839 1.00 0.00 O ATOM 487 CB SER A 31 -4.234 6.102 12.866 1.00 0.00 C ATOM 488 OG SER A 31 -5.436 5.361 12.983 1.00 0.00 O ATOM 0 H SER A 31 -2.549 6.155 10.782 1.00 0.00 H new ATOM 0 HA SER A 31 -5.296 7.130 11.306 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.387 5.419 12.798 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.086 6.705 13.762 1.00 0.00 H new ATOM 0 HG SER A 31 -5.417 4.836 13.810 1.00 0.00 H new ATOM 494 N PRO A 32 -4.569 9.302 12.458 1.00 0.00 N ATOM 495 CA PRO A 32 -4.156 10.659 12.832 1.00 0.00 C ATOM 496 C PRO A 32 -3.000 10.657 13.827 1.00 0.00 C ATOM 497 O PRO A 32 -2.094 11.486 13.742 1.00 0.00 O ATOM 498 CB PRO A 32 -5.412 11.253 13.474 1.00 0.00 C ATOM 499 CG PRO A 32 -6.541 10.477 12.892 1.00 0.00 C ATOM 500 CD PRO A 32 -6.014 9.087 12.665 1.00 0.00 C ATOM 0 HA PRO A 32 -3.794 11.225 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.384 11.157 14.559 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.506 12.316 13.250 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.396 10.465 13.568 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.880 10.923 11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.206 8.439 13.520 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.479 8.617 11.798 1.00 0.00 H new ATOM 508 N ASP A 33 -3.039 9.721 14.769 1.00 0.00 N ATOM 509 CA ASP A 33 -1.995 9.612 15.781 1.00 0.00 C ATOM 510 C ASP A 33 -0.969 8.551 15.392 1.00 0.00 C ATOM 511 O ASP A 33 -0.499 7.788 16.237 1.00 0.00 O ATOM 512 CB ASP A 33 -2.607 9.273 17.141 1.00 0.00 C ATOM 513 CG ASP A 33 -3.213 10.486 17.820 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.445 11.304 18.368 1.00 0.00 O ATOM 515 OD2 ASP A 33 -4.455 10.617 17.803 1.00 0.00 O ATOM 0 H ASP A 33 -3.782 9.027 14.853 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.488 10.574 15.849 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.375 8.511 17.011 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.839 8.845 17.785 1.00 0.00 H new ATOM 520 N ARG A 34 -0.626 8.509 14.109 1.00 0.00 N ATOM 521 CA ARG A 34 0.345 7.543 13.609 1.00 0.00 C ATOM 522 C ARG A 34 1.266 8.183 12.575 1.00 0.00 C ATOM 523 O ARG A 34 2.489 8.134 12.704 1.00 0.00 O ATOM 524 CB ARG A 34 -0.374 6.337 12.999 1.00 0.00 C ATOM 525 CG ARG A 34 -0.135 5.041 13.756 1.00 0.00 C ATOM 526 CD ARG A 34 -1.005 3.913 13.223 1.00 0.00 C ATOM 527 NE ARG A 34 -1.662 3.174 14.298 1.00 0.00 N ATOM 528 CZ ARG A 34 -2.706 2.369 14.114 1.00 0.00 C ATOM 529 NH1 ARG A 34 -3.212 2.195 12.899 1.00 0.00 N ATOM 530 NH2 ARG A 34 -3.244 1.735 15.147 1.00 0.00 N ATOM 0 H ARG A 34 -1.006 9.133 13.397 1.00 0.00 H new ATOM 0 HA ARG A 34 0.954 7.206 14.448 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.445 6.539 12.970 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.045 6.212 11.967 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.915 4.760 13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.344 5.193 14.815 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.759 4.323 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.392 3.230 12.635 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.300 3.281 15.245 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.801 2.679 12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.012 1.577 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.858 1.864 16.082 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.044 1.118 15.006 1.00 0.00 H new ATOM 544 N PHE A 35 0.670 8.783 11.549 1.00 0.00 N ATOM 545 CA PHE A 35 1.438 9.433 10.492 1.00 0.00 C ATOM 546 C PHE A 35 1.164 10.933 10.466 1.00 0.00 C ATOM 547 O PHE A 35 0.061 11.367 10.133 1.00 0.00 O ATOM 548 CB PHE A 35 1.099 8.816 9.134 1.00 0.00 C ATOM 549 CG PHE A 35 1.628 7.421 8.960 1.00 0.00 C ATOM 550 CD1 PHE A 35 2.989 7.194 8.827 1.00 0.00 C ATOM 551 CD2 PHE A 35 0.765 6.337 8.929 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.479 5.912 8.666 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.249 5.053 8.768 1.00 0.00 C ATOM 554 CZ PHE A 35 2.608 4.840 8.637 1.00 0.00 C ATOM 0 H PHE A 35 -0.341 8.833 11.427 1.00 0.00 H new ATOM 0 HA PHE A 35 2.497 9.279 10.698 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.016 8.803 9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.503 9.450 8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.674 8.029 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.298 6.498 9.032 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.542 5.748 8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.566 4.217 8.745 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.989 3.837 8.512 1.00 0.00 H new ATOM 564 N ARG A 36 2.175 11.720 10.819 1.00 0.00 N ATOM 565 CA ARG A 36 2.043 13.172 10.835 1.00 0.00 C ATOM 566 C ARG A 36 1.935 13.725 9.417 1.00 0.00 C ATOM 567 O ARG A 36 0.943 14.362 9.062 1.00 0.00 O ATOM 568 CB ARG A 36 3.237 13.805 11.554 1.00 0.00 C ATOM 569 CG ARG A 36 2.942 14.197 12.993 1.00 0.00 C ATOM 570 CD ARG A 36 4.221 14.437 13.778 1.00 0.00 C ATOM 571 NE ARG A 36 4.599 15.849 13.792 1.00 0.00 N ATOM 572 CZ ARG A 36 4.027 16.762 14.574 1.00 0.00 C ATOM 573 NH1 ARG A 36 3.053 16.417 15.406 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.432 18.024 14.524 1.00 0.00 N ATOM 0 H ARG A 36 3.094 11.377 11.098 1.00 0.00 H new ATOM 0 HA ARG A 36 1.129 13.423 11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.072 13.104 11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.555 14.690 11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.330 15.099 13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.361 13.410 13.474 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.089 14.087 14.802 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.029 13.850 13.342 1.00 0.00 H new ATOM 0 HE ARG A 36 5.345 16.153 13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.738 15.448 15.449 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.619 17.121 16.003 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.181 18.294 13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.994 18.724 15.123 1.00 0.00 H new ATOM 588 N SER A 37 2.961 13.477 8.610 1.00 0.00 N ATOM 589 CA SER A 37 2.981 13.949 7.231 1.00 0.00 C ATOM 590 C SER A 37 3.358 12.823 6.275 1.00 0.00 C ATOM 591 O SER A 37 3.560 11.682 6.692 1.00 0.00 O ATOM 592 CB SER A 37 3.965 15.111 7.082 1.00 0.00 C ATOM 593 OG SER A 37 5.230 14.781 7.629 1.00 0.00 O ATOM 0 H SER A 37 3.790 12.951 8.888 1.00 0.00 H new ATOM 0 HA SER A 37 1.979 14.295 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.076 15.365 6.028 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.568 15.994 7.582 1.00 0.00 H new ATOM 0 HG SER A 37 5.841 15.539 7.520 1.00 0.00 H new ATOM 599 N PHE A 38 3.453 13.150 4.990 1.00 0.00 N ATOM 600 CA PHE A 38 3.806 12.166 3.974 1.00 0.00 C ATOM 601 C PHE A 38 5.239 11.677 4.164 1.00 0.00 C ATOM 602 O PHE A 38 5.564 10.536 3.836 1.00 0.00 O ATOM 603 CB PHE A 38 3.641 12.765 2.576 1.00 0.00 C ATOM 604 CG PHE A 38 3.610 11.736 1.482 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.502 10.922 1.308 1.00 0.00 C ATOM 606 CD2 PHE A 38 4.690 11.582 0.627 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.471 9.975 0.303 1.00 0.00 C ATOM 608 CE2 PHE A 38 4.665 10.636 -0.380 1.00 0.00 C ATOM 609 CZ PHE A 38 3.554 9.832 -0.543 1.00 0.00 C ATOM 0 H PHE A 38 3.290 14.090 4.628 1.00 0.00 H new ATOM 0 HA PHE A 38 3.134 11.314 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.719 13.345 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.460 13.459 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.652 11.029 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.561 12.209 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.601 9.347 0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.514 10.525 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.532 9.093 -1.330 1.00 0.00 H new ATOM 619 N GLU A 39 6.091 12.548 4.695 1.00 0.00 N ATOM 620 CA GLU A 39 7.489 12.205 4.928 1.00 0.00 C ATOM 621 C GLU A 39 7.605 11.004 5.862 1.00 0.00 C ATOM 622 O GLU A 39 8.507 10.178 5.718 1.00 0.00 O ATOM 623 CB GLU A 39 8.238 13.403 5.518 1.00 0.00 C ATOM 624 CG GLU A 39 9.175 14.080 4.530 1.00 0.00 C ATOM 625 CD GLU A 39 10.571 14.274 5.088 1.00 0.00 C ATOM 626 OE1 GLU A 39 10.990 13.460 5.937 1.00 0.00 O ATOM 627 OE2 GLU A 39 11.246 15.241 4.676 1.00 0.00 O ATOM 0 H GLU A 39 5.838 13.496 4.972 1.00 0.00 H new ATOM 0 HA GLU A 39 7.939 11.942 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.513 14.133 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.813 13.072 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.231 13.482 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.762 15.049 4.249 1.00 0.00 H new ATOM 634 N ALA A 40 6.687 10.913 6.819 1.00 0.00 N ATOM 635 CA ALA A 40 6.687 9.814 7.776 1.00 0.00 C ATOM 636 C ALA A 40 6.270 8.507 7.110 1.00 0.00 C ATOM 637 O ALA A 40 6.769 7.436 7.456 1.00 0.00 O ATOM 638 CB ALA A 40 5.764 10.132 8.943 1.00 0.00 C ATOM 0 H ALA A 40 5.934 11.588 6.952 1.00 0.00 H new ATOM 0 HA ALA A 40 7.703 9.692 8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.773 9.303 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.107 11.038 9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.750 10.283 8.574 1.00 0.00 H new ATOM 644 N LEU A 41 5.353 8.602 6.153 1.00 0.00 N ATOM 645 CA LEU A 41 4.869 7.427 5.438 1.00 0.00 C ATOM 646 C LEU A 41 5.931 6.898 4.478 1.00 0.00 C ATOM 647 O LEU A 41 6.021 5.694 4.239 1.00 0.00 O ATOM 648 CB LEU A 41 3.591 7.763 4.667 1.00 0.00 C ATOM 649 CG LEU A 41 2.879 6.563 4.039 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.224 5.709 5.113 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.848 7.029 3.023 1.00 0.00 C ATOM 0 H LEU A 41 4.930 9.481 5.855 1.00 0.00 H new ATOM 0 HA LEU A 41 4.649 6.652 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.898 8.264 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.837 8.474 3.878 1.00 0.00 H new ATOM 0 HG LEU A 41 3.620 5.954 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.723 4.860 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.985 5.346 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.494 6.307 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.351 6.163 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.110 7.660 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.344 7.598 2.237 1.00 0.00 H new ATOM 663 N LEU A 42 6.732 7.807 3.931 1.00 0.00 N ATOM 664 CA LEU A 42 7.787 7.432 2.997 1.00 0.00 C ATOM 665 C LEU A 42 8.944 6.757 3.726 1.00 0.00 C ATOM 666 O LEU A 42 9.582 5.849 3.194 1.00 0.00 O ATOM 667 CB LEU A 42 8.292 8.664 2.243 1.00 0.00 C ATOM 668 CG LEU A 42 7.268 9.320 1.316 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.815 10.622 0.753 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.882 8.370 0.192 1.00 0.00 C ATOM 0 H LEU A 42 6.670 8.808 4.118 1.00 0.00 H new ATOM 0 HA LEU A 42 7.370 6.724 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.628 9.404 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.163 8.378 1.653 1.00 0.00 H new ATOM 0 HG LEU A 42 6.373 9.547 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.073 11.075 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.040 11.306 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.725 10.420 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.153 8.853 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.769 8.112 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.448 7.464 0.614 1.00 0.00 H new ATOM 682 N ALA A 43 9.211 7.208 4.948 1.00 0.00 N ATOM 683 CA ALA A 43 10.291 6.648 5.750 1.00 0.00 C ATOM 684 C ALA A 43 9.996 5.203 6.135 1.00 0.00 C ATOM 685 O ALA A 43 10.867 4.337 6.053 1.00 0.00 O ATOM 686 CB ALA A 43 10.516 7.493 6.995 1.00 0.00 C ATOM 0 H ALA A 43 8.694 7.960 5.404 1.00 0.00 H new ATOM 0 HA ALA A 43 11.200 6.658 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.326 7.063 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.780 8.509 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.604 7.513 7.591 1.00 0.00 H new ATOM 692 N ASP A 44 8.762 4.949 6.557 1.00 0.00 N ATOM 693 CA ASP A 44 8.351 3.608 6.955 1.00 0.00 C ATOM 694 C ASP A 44 8.308 2.672 5.751 1.00 0.00 C ATOM 695 O ASP A 44 8.772 1.534 5.819 1.00 0.00 O ATOM 696 CB ASP A 44 6.980 3.653 7.636 1.00 0.00 C ATOM 697 CG ASP A 44 7.035 3.194 9.080 1.00 0.00 C ATOM 698 OD1 ASP A 44 7.860 3.737 9.844 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.255 2.290 9.446 1.00 0.00 O ATOM 0 H ASP A 44 8.029 5.654 6.632 1.00 0.00 H new ATOM 0 HA ASP A 44 9.086 3.224 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.591 4.670 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.283 3.023 7.084 1.00 0.00 H new ATOM 704 N LEU A 45 7.747 3.161 4.649 1.00 0.00 N ATOM 705 CA LEU A 45 7.643 2.369 3.429 1.00 0.00 C ATOM 706 C LEU A 45 9.023 1.956 2.927 1.00 0.00 C ATOM 707 O LEU A 45 9.208 0.845 2.432 1.00 0.00 O ATOM 708 CB LEU A 45 6.908 3.159 2.344 1.00 0.00 C ATOM 709 CG LEU A 45 5.383 3.047 2.382 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.747 4.137 1.534 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.939 1.672 1.908 1.00 0.00 C ATOM 0 H LEU A 45 7.358 4.101 4.576 1.00 0.00 H new ATOM 0 HA LEU A 45 7.076 1.467 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.182 4.210 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.258 2.820 1.369 1.00 0.00 H new ATOM 0 HG LEU A 45 5.053 3.178 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.662 4.042 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.039 5.114 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.083 4.038 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.851 1.609 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.281 1.512 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.366 0.908 2.557 1.00 0.00 H new ATOM 723 N THR A 46 9.989 2.859 3.060 1.00 0.00 N ATOM 724 CA THR A 46 11.353 2.589 2.620 1.00 0.00 C ATOM 725 C THR A 46 12.035 1.587 3.546 1.00 0.00 C ATOM 726 O THR A 46 12.885 0.808 3.116 1.00 0.00 O ATOM 727 CB THR A 46 12.162 3.887 2.571 1.00 0.00 C ATOM 728 OG1 THR A 46 11.492 4.865 1.795 1.00 0.00 O ATOM 729 CG2 THR A 46 13.546 3.707 1.987 1.00 0.00 C ATOM 0 H THR A 46 9.853 3.784 3.469 1.00 0.00 H new ATOM 0 HA THR A 46 11.307 2.159 1.619 1.00 0.00 H new ATOM 0 HB THR A 46 12.262 4.206 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.039 5.500 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.066 4.665 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.106 2.994 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.464 3.332 0.967 1.00 0.00 H new ATOM 737 N ARG A 47 11.657 1.615 4.820 1.00 0.00 N ATOM 738 CA ARG A 47 12.233 0.709 5.807 1.00 0.00 C ATOM 739 C ARG A 47 11.884 -0.741 5.486 1.00 0.00 C ATOM 740 O ARG A 47 12.645 -1.657 5.799 1.00 0.00 O ATOM 741 CB ARG A 47 11.736 1.068 7.210 1.00 0.00 C ATOM 742 CG ARG A 47 12.820 0.997 8.275 1.00 0.00 C ATOM 743 CD ARG A 47 12.496 -0.042 9.337 1.00 0.00 C ATOM 744 NE ARG A 47 13.355 0.089 10.511 1.00 0.00 N ATOM 745 CZ ARG A 47 13.215 1.042 11.430 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.251 1.948 11.314 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.039 1.090 12.467 1.00 0.00 N ATOM 0 H ARG A 47 10.955 2.254 5.193 1.00 0.00 H new ATOM 0 HA ARG A 47 13.317 0.817 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.320 2.075 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.925 0.393 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.774 0.755 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.934 1.974 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.453 0.060 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.610 -1.040 8.914 1.00 0.00 H new ATOM 0 HE ARG A 47 14.106 -0.590 10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.614 1.916 10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.148 2.676 12.021 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.781 0.397 12.561 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.931 1.820 13.171 1.00 0.00 H new ATOM 761 N THR A 48 10.729 -0.943 4.860 1.00 0.00 N ATOM 762 CA THR A 48 10.281 -2.283 4.497 1.00 0.00 C ATOM 763 C THR A 48 10.423 -2.518 2.997 1.00 0.00 C ATOM 764 O THR A 48 11.141 -3.419 2.565 1.00 0.00 O ATOM 765 CB THR A 48 8.826 -2.489 4.921 1.00 0.00 C ATOM 766 OG1 THR A 48 8.006 -1.447 4.423 1.00 0.00 O ATOM 767 CG2 THR A 48 8.642 -2.540 6.423 1.00 0.00 C ATOM 0 H THR A 48 10.087 -0.197 4.594 1.00 0.00 H new ATOM 0 HA THR A 48 10.911 -3.003 5.020 1.00 0.00 H new ATOM 0 HB THR A 48 8.537 -3.453 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.079 -1.598 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.587 -2.688 6.656 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.223 -3.366 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.983 -1.603 6.863 1.00 0.00 H new ATOM 775 N LEU A 49 9.733 -1.701 2.207 1.00 0.00 N ATOM 776 CA LEU A 49 9.782 -1.821 0.754 1.00 0.00 C ATOM 777 C LEU A 49 10.928 -0.997 0.177 1.00 0.00 C ATOM 778 O LEU A 49 10.743 0.158 -0.207 1.00 0.00 O ATOM 779 CB LEU A 49 8.454 -1.373 0.140 1.00 0.00 C ATOM 780 CG LEU A 49 7.212 -2.059 0.710 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.962 -1.589 -0.017 1.00 0.00 C ATOM 782 CD2 LEU A 49 7.349 -3.571 0.615 1.00 0.00 C ATOM 0 H LEU A 49 9.134 -0.949 2.548 1.00 0.00 H new ATOM 0 HA LEU A 49 9.954 -2.869 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.352 -0.297 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.489 -1.553 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 49 7.120 -1.787 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.088 -2.088 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.856 -0.511 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.045 -1.831 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.457 -4.044 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.466 -3.861 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.223 -3.893 1.181 1.00 0.00 H new ATOM 794 N SER A 50 12.112 -1.598 0.118 1.00 0.00 N ATOM 795 CA SER A 50 13.288 -0.920 -0.413 1.00 0.00 C ATOM 796 C SER A 50 14.490 -1.859 -0.444 1.00 0.00 C ATOM 797 O SER A 50 14.998 -2.267 0.600 1.00 0.00 O ATOM 798 CB SER A 50 13.614 0.317 0.426 1.00 0.00 C ATOM 799 OG SER A 50 14.547 1.153 -0.237 1.00 0.00 O ATOM 0 H SER A 50 12.282 -2.554 0.432 1.00 0.00 H new ATOM 0 HA SER A 50 13.066 -0.609 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.700 0.875 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.018 0.010 1.391 1.00 0.00 H new ATOM 0 HG SER A 50 14.616 0.885 -1.177 1.00 0.00 H new ATOM 805 N ASP A 51 14.939 -2.198 -1.648 1.00 0.00 N ATOM 806 CA ASP A 51 16.082 -3.089 -1.815 1.00 0.00 C ATOM 807 C ASP A 51 16.817 -2.792 -3.118 1.00 0.00 C ATOM 808 O ASP A 51 16.334 -2.031 -3.956 1.00 0.00 O ATOM 809 CB ASP A 51 15.623 -4.549 -1.792 1.00 0.00 C ATOM 810 CG ASP A 51 15.885 -5.217 -0.456 1.00 0.00 C ATOM 811 OD1 ASP A 51 16.109 -4.492 0.537 1.00 0.00 O ATOM 812 OD2 ASP A 51 15.866 -6.464 -0.402 1.00 0.00 O ATOM 0 H ASP A 51 14.529 -1.869 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 51 16.770 -2.919 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.557 -4.595 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.138 -5.101 -2.578 1.00 0.00 H new ATOM 817 N ASN A 52 17.988 -3.399 -3.282 1.00 0.00 N ATOM 818 CA ASN A 52 18.790 -3.201 -4.483 1.00 0.00 C ATOM 819 C ASN A 52 18.098 -3.799 -5.704 1.00 0.00 C ATOM 820 O ASN A 52 18.251 -3.304 -6.821 1.00 0.00 O ATOM 821 CB ASN A 52 20.174 -3.829 -4.305 1.00 0.00 C ATOM 822 CG ASN A 52 21.285 -2.937 -4.824 1.00 0.00 C ATOM 823 OD1 ASN A 52 22.053 -2.368 -4.049 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.375 -2.811 -6.143 1.00 0.00 N ATOM 0 H ASN A 52 18.402 -4.032 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 52 18.904 -2.129 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.342 -4.037 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.206 -4.785 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.103 -2.224 -6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.717 -3.301 -6.748 1.00 0.00 H new ATOM 831 N VAL A 53 17.336 -4.866 -5.484 1.00 0.00 N ATOM 832 CA VAL A 53 16.621 -5.530 -6.566 1.00 0.00 C ATOM 833 C VAL A 53 15.317 -4.809 -6.888 1.00 0.00 C ATOM 834 O VAL A 53 14.882 -4.776 -8.039 1.00 0.00 O ATOM 835 CB VAL A 53 16.310 -6.997 -6.216 1.00 0.00 C ATOM 836 CG1 VAL A 53 15.745 -7.727 -7.426 1.00 0.00 C ATOM 837 CG2 VAL A 53 17.555 -7.697 -5.695 1.00 0.00 C ATOM 0 H VAL A 53 17.198 -5.289 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 53 17.273 -5.502 -7.439 1.00 0.00 H new ATOM 0 HB VAL A 53 15.557 -7.012 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.531 -8.762 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.826 -7.238 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.473 -7.704 -8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.316 -8.733 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.332 -7.673 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.911 -7.188 -4.799 1.00 0.00 H new ATOM 847 N ASN A 54 14.697 -4.233 -5.863 1.00 0.00 N ATOM 848 CA ASN A 54 13.441 -3.512 -6.038 1.00 0.00 C ATOM 849 C ASN A 54 13.478 -2.170 -5.312 1.00 0.00 C ATOM 850 O ASN A 54 13.533 -2.119 -4.083 1.00 0.00 O ATOM 851 CB ASN A 54 12.270 -4.355 -5.524 1.00 0.00 C ATOM 852 CG ASN A 54 11.222 -4.601 -6.592 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.877 -3.701 -7.358 1.00 0.00 O ATOM 854 ND2 ASN A 54 10.710 -5.825 -6.648 1.00 0.00 N ATOM 0 H ASN A 54 15.043 -4.251 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 54 13.303 -3.323 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.646 -5.311 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.808 -3.851 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.001 -6.050 -7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.026 -6.540 -5.993 1.00 0.00 H new ATOM 861 N LEU A 55 13.448 -1.086 -6.081 1.00 0.00 N ATOM 862 CA LEU A 55 13.478 0.256 -5.511 1.00 0.00 C ATOM 863 C LEU A 55 14.750 0.474 -4.694 1.00 0.00 C ATOM 864 O LEU A 55 14.737 0.357 -3.469 1.00 0.00 O ATOM 865 CB LEU A 55 12.247 0.488 -4.632 1.00 0.00 C ATOM 866 CG LEU A 55 10.920 0.039 -5.246 1.00 0.00 C ATOM 867 CD1 LEU A 55 9.970 -0.449 -4.164 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.290 1.174 -6.039 1.00 0.00 C ATOM 0 H LEU A 55 13.403 -1.111 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 55 13.469 0.972 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.389 -0.037 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.181 1.551 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 55 11.117 -0.789 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.031 -0.764 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.419 -1.291 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.777 0.359 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.347 0.838 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.106 2.021 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.965 1.478 -6.839 1.00 0.00 H new ATOM 880 N PRO A 56 15.869 0.796 -5.366 1.00 0.00 N ATOM 881 CA PRO A 56 17.152 1.030 -4.696 1.00 0.00 C ATOM 882 C PRO A 56 17.160 2.330 -3.899 1.00 0.00 C ATOM 883 O PRO A 56 17.706 2.392 -2.798 1.00 0.00 O ATOM 884 CB PRO A 56 18.148 1.106 -5.854 1.00 0.00 C ATOM 885 CG PRO A 56 17.339 1.553 -7.021 1.00 0.00 C ATOM 886 CD PRO A 56 15.971 0.957 -6.829 1.00 0.00 C ATOM 0 HA PRO A 56 17.381 0.250 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.953 1.808 -5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.612 0.138 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.288 2.641 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.784 1.215 -7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.190 1.611 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.873 0.002 -7.346 1.00 0.00 H new ATOM 894 N GLN A 57 16.551 3.368 -4.464 1.00 0.00 N ATOM 895 CA GLN A 57 16.488 4.668 -3.807 1.00 0.00 C ATOM 896 C GLN A 57 15.452 4.661 -2.686 1.00 0.00 C ATOM 897 O GLN A 57 15.660 5.262 -1.632 1.00 0.00 O ATOM 898 CB GLN A 57 16.155 5.762 -4.826 1.00 0.00 C ATOM 899 CG GLN A 57 17.250 6.806 -4.976 1.00 0.00 C ATOM 900 CD GLN A 57 18.493 6.254 -5.645 1.00 0.00 C ATOM 901 OE1 GLN A 57 19.418 5.790 -4.977 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.523 6.301 -6.972 1.00 0.00 N ATOM 0 H GLN A 57 16.094 3.334 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 57 17.465 4.876 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.970 5.300 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.231 6.257 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.870 7.645 -5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.513 7.195 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.735 6.694 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 57 19.334 5.944 -7.477 1.00 0.00 H new ATOM 911 N GLY A 58 14.337 3.978 -2.922 1.00 0.00 N ATOM 912 CA GLY A 58 13.287 3.906 -1.924 1.00 0.00 C ATOM 913 C GLY A 58 11.905 4.087 -2.521 1.00 0.00 C ATOM 914 O GLY A 58 11.639 3.637 -3.636 1.00 0.00 O ATOM 0 H GLY A 58 14.142 3.473 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.337 2.942 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.456 4.673 -1.168 1.00 0.00 H new ATOM 918 N VAL A 59 11.023 4.748 -1.778 1.00 0.00 N ATOM 919 CA VAL A 59 9.661 4.988 -2.240 1.00 0.00 C ATOM 920 C VAL A 59 9.372 6.482 -2.342 1.00 0.00 C ATOM 921 O VAL A 59 9.814 7.269 -1.504 1.00 0.00 O ATOM 922 CB VAL A 59 8.627 4.333 -1.302 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.722 4.922 0.098 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.221 4.491 -1.861 1.00 0.00 C ATOM 0 H VAL A 59 11.227 5.127 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 59 9.576 4.538 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 59 8.849 3.268 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.984 4.446 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.721 4.748 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.529 5.994 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.506 4.022 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.986 5.551 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.162 4.013 -2.839 1.00 0.00 H new ATOM 934 N ARG A 60 8.628 6.867 -3.373 1.00 0.00 N ATOM 935 CA ARG A 60 8.280 8.267 -3.585 1.00 0.00 C ATOM 936 C ARG A 60 6.884 8.397 -4.186 1.00 0.00 C ATOM 937 O ARG A 60 6.063 9.181 -3.710 1.00 0.00 O ATOM 938 CB ARG A 60 9.307 8.937 -4.500 1.00 0.00 C ATOM 939 CG ARG A 60 10.484 9.542 -3.754 1.00 0.00 C ATOM 940 CD ARG A 60 11.513 10.121 -4.712 1.00 0.00 C ATOM 941 NE ARG A 60 12.881 9.868 -4.264 1.00 0.00 N ATOM 942 CZ ARG A 60 13.406 10.389 -3.158 1.00 0.00 C ATOM 943 NH1 ARG A 60 12.684 11.191 -2.386 1.00 0.00 N ATOM 944 NH2 ARG A 60 14.658 10.108 -2.823 1.00 0.00 N ATOM 0 H ARG A 60 8.254 6.229 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 60 8.286 8.767 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.679 8.202 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.812 9.719 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.128 10.325 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.953 8.779 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.370 9.689 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.356 11.195 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 60 13.467 9.257 -4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.721 11.411 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.092 11.587 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.218 9.493 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.061 10.507 -1.975 1.00 0.00 H new ATOM 958 N THR A 61 6.623 7.623 -5.234 1.00 0.00 N ATOM 959 CA THR A 61 5.326 7.652 -5.901 1.00 0.00 C ATOM 960 C THR A 61 4.579 6.338 -5.695 1.00 0.00 C ATOM 961 O THR A 61 5.053 5.274 -6.093 1.00 0.00 O ATOM 962 CB THR A 61 5.504 7.922 -7.396 1.00 0.00 C ATOM 963 OG1 THR A 61 6.733 8.581 -7.644 1.00 0.00 O ATOM 964 CG2 THR A 61 4.399 8.771 -7.986 1.00 0.00 C ATOM 0 H THR A 61 7.292 6.968 -5.640 1.00 0.00 H new ATOM 0 HA THR A 61 4.737 8.457 -5.461 1.00 0.00 H new ATOM 0 HB THR A 61 5.480 6.942 -7.872 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.829 8.743 -8.606 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.586 8.925 -9.049 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.442 8.265 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.371 9.736 -7.479 1.00 0.00 H new ATOM 972 N ILE A 62 3.409 6.421 -5.069 1.00 0.00 N ATOM 973 CA ILE A 62 2.596 5.239 -4.810 1.00 0.00 C ATOM 974 C ILE A 62 1.299 5.278 -5.610 1.00 0.00 C ATOM 975 O ILE A 62 0.363 5.995 -5.258 1.00 0.00 O ATOM 976 CB ILE A 62 2.258 5.108 -3.312 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.523 5.259 -2.465 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.585 3.772 -3.036 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.242 5.558 -1.009 1.00 0.00 C ATOM 0 H ILE A 62 3.003 7.294 -4.732 1.00 0.00 H new ATOM 0 HA ILE A 62 3.185 4.376 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 62 1.565 5.905 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.108 4.342 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.136 6.059 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.352 3.694 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.664 3.702 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.255 2.961 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.184 5.652 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.684 6.491 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.656 4.747 -0.578 1.00 0.00 H new ATOM 991 N TYR A 63 1.251 4.501 -6.687 1.00 0.00 N ATOM 992 CA TYR A 63 0.067 4.447 -7.537 1.00 0.00 C ATOM 993 C TYR A 63 -0.951 3.453 -6.989 1.00 0.00 C ATOM 994 O TYR A 63 -0.670 2.719 -6.042 1.00 0.00 O ATOM 995 CB TYR A 63 0.456 4.062 -8.965 1.00 0.00 C ATOM 996 CG TYR A 63 1.413 5.034 -9.616 1.00 0.00 C ATOM 997 CD1 TYR A 63 0.958 6.230 -10.157 1.00 0.00 C ATOM 998 CD2 TYR A 63 2.772 4.756 -9.689 1.00 0.00 C ATOM 999 CE1 TYR A 63 1.830 7.121 -10.753 1.00 0.00 C ATOM 1000 CE2 TYR A 63 3.651 5.643 -10.282 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.175 6.823 -10.813 1.00 0.00 C ATOM 1002 OH TYR A 63 4.047 7.708 -11.405 1.00 0.00 O ATOM 0 H TYR A 63 2.017 3.901 -6.992 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.388 5.437 -7.547 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.910 3.071 -8.954 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.447 3.993 -9.572 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.095 6.467 -10.111 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.148 3.832 -9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.460 8.046 -11.170 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.705 5.413 -10.329 1.00 0.00 H new ATOM 0 HH TYR A 63 4.957 7.348 -11.363 1.00 0.00 H new ATOM 1012 N THR A 64 -2.135 3.435 -7.592 1.00 0.00 N ATOM 1013 CA THR A 64 -3.196 2.530 -7.165 1.00 0.00 C ATOM 1014 C THR A 64 -3.001 1.142 -7.764 1.00 0.00 C ATOM 1015 O THR A 64 -2.055 0.906 -8.516 1.00 0.00 O ATOM 1016 CB THR A 64 -4.562 3.086 -7.570 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.704 3.087 -8.979 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.800 4.500 -7.084 1.00 0.00 C ATOM 0 H THR A 64 -2.384 4.036 -8.377 1.00 0.00 H new ATOM 0 HA THR A 64 -3.153 2.446 -6.079 1.00 0.00 H new ATOM 0 HB THR A 64 -5.293 2.429 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.584 3.444 -9.219 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.787 4.834 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.745 4.525 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.040 5.161 -7.501 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.902 0.225 -7.427 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.828 -1.141 -7.932 1.00 0.00 C ATOM 1028 C ILE A 65 -4.183 -1.197 -9.415 1.00 0.00 C ATOM 1029 O ILE A 65 -3.616 -1.987 -10.170 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.766 -2.082 -7.148 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.583 -3.530 -7.613 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.216 -1.645 -7.308 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -4.380 -4.507 -6.475 1.00 0.00 C ATOM 0 H ILE A 65 -4.692 0.403 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.800 -1.476 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.507 -2.026 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.458 -3.832 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.726 -3.582 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.863 -2.320 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.334 -0.630 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.490 -1.671 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.257 -5.513 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.489 -4.230 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.248 -4.483 -5.816 1.00 0.00 H new ATOM 1045 N ASP A 66 -5.126 -0.355 -9.825 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.557 -0.309 -11.218 1.00 0.00 C ATOM 1047 C ASP A 66 -4.559 0.468 -12.070 1.00 0.00 C ATOM 1048 O ASP A 66 -4.385 0.182 -13.255 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.943 0.329 -11.324 1.00 0.00 C ATOM 1050 CG ASP A 66 -8.057 -0.697 -11.266 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -8.045 -1.535 -10.340 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.942 -0.664 -12.147 1.00 0.00 O ATOM 0 H ASP A 66 -5.606 0.305 -9.213 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.607 -1.332 -11.591 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.072 1.048 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.013 0.885 -12.259 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.906 1.451 -11.460 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.933 2.254 -12.178 1.00 0.00 C ATOM 1059 C GLY A 67 -3.573 3.400 -12.937 1.00 0.00 C ATOM 1060 O GLY A 67 -3.242 3.646 -14.097 1.00 0.00 O ATOM 0 H GLY A 67 -4.033 1.706 -10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.204 2.652 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.387 1.619 -12.877 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.491 4.102 -12.281 1.00 0.00 N ATOM 1065 CA LEU A 68 -5.179 5.229 -12.901 1.00 0.00 C ATOM 1066 C LEU A 68 -4.754 6.546 -12.260 1.00 0.00 C ATOM 1067 O LEU A 68 -4.434 7.511 -12.953 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.695 5.056 -12.783 1.00 0.00 C ATOM 1069 CG LEU A 68 -7.217 3.662 -13.136 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.399 3.294 -12.252 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -7.608 3.597 -14.605 1.00 0.00 C ATOM 0 H LEU A 68 -4.776 3.911 -11.320 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.904 5.254 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.994 5.291 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.180 5.784 -13.433 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.419 2.941 -12.959 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.756 2.299 -12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.088 3.301 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.201 4.018 -12.396 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.977 2.599 -14.839 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.390 4.329 -14.806 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.738 3.816 -15.223 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.754 6.578 -10.931 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.369 7.777 -10.195 1.00 0.00 C ATOM 1085 C LYS A 69 -3.101 7.531 -9.381 1.00 0.00 C ATOM 1086 O LYS A 69 -2.636 6.397 -9.265 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.507 8.221 -9.272 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.927 9.668 -9.477 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.304 10.330 -8.162 1.00 0.00 C ATOM 1090 CE LYS A 69 -6.775 11.760 -8.373 1.00 0.00 C ATOM 1091 NZ LYS A 69 -7.843 12.142 -7.409 1.00 0.00 N ATOM 0 H LYS A 69 -5.016 5.788 -10.342 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.167 8.569 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.369 7.574 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.198 8.084 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.112 10.222 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.774 9.709 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.092 9.754 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.445 10.324 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.930 12.440 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.148 11.873 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.136 13.124 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.660 11.510 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.480 12.060 -6.438 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.547 8.601 -8.821 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.334 8.502 -8.018 1.00 0.00 C ATOM 1107 C LYS A 70 -1.508 9.209 -6.678 1.00 0.00 C ATOM 1108 O LYS A 70 -2.069 10.302 -6.610 1.00 0.00 O ATOM 1109 CB LYS A 70 -0.147 9.103 -8.774 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.347 10.560 -9.161 1.00 0.00 C ATOM 1111 CD LYS A 70 0.940 11.358 -9.017 1.00 0.00 C ATOM 1112 CE LYS A 70 1.630 11.550 -10.357 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.341 12.888 -10.945 1.00 0.00 N ATOM 0 H LYS A 70 -2.919 9.547 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.139 7.446 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.747 9.019 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.033 8.518 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.699 10.619 -10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.122 11.001 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.719 12.331 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.613 10.844 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.706 11.434 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.304 10.772 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.830 12.979 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.316 12.990 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.675 13.631 -10.298 1.00 0.00 H new ATOM 1127 N ILE A 71 -1.022 8.578 -5.614 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.123 9.147 -4.276 1.00 0.00 C ATOM 1129 C ILE A 71 -0.010 10.158 -4.025 1.00 0.00 C ATOM 1130 O ILE A 71 1.146 9.923 -4.374 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.061 8.053 -3.193 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.022 6.912 -3.532 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.387 8.640 -1.828 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.477 7.327 -3.530 1.00 0.00 C ATOM 0 H ILE A 71 -0.554 7.672 -5.653 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.088 9.650 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.048 7.651 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.768 6.513 -4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.882 6.104 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.339 7.855 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.666 9.420 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.390 9.066 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.101 6.468 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.748 7.698 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.632 8.114 -4.268 1.00 0.00 H new ATOM 1146 N SER A 72 -0.368 11.286 -3.419 1.00 0.00 N ATOM 1147 CA SER A 72 0.602 12.334 -3.122 1.00 0.00 C ATOM 1148 C SER A 72 0.583 12.692 -1.640 1.00 0.00 C ATOM 1149 O SER A 72 1.632 12.842 -1.014 1.00 0.00 O ATOM 1150 CB SER A 72 0.310 13.579 -3.963 1.00 0.00 C ATOM 1151 OG SER A 72 1.487 14.338 -4.176 1.00 0.00 O ATOM 0 H SER A 72 -1.321 11.497 -3.124 1.00 0.00 H new ATOM 0 HA SER A 72 1.594 11.957 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.114 13.282 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.437 14.194 -3.461 1.00 0.00 H new ATOM 0 HG SER A 72 1.274 15.127 -4.717 1.00 0.00 H new ATOM 1157 N SER A 73 -0.617 12.828 -1.084 1.00 0.00 N ATOM 1158 CA SER A 73 -0.772 13.170 0.326 1.00 0.00 C ATOM 1159 C SER A 73 -1.419 12.024 1.097 1.00 0.00 C ATOM 1160 O SER A 73 -1.675 10.955 0.543 1.00 0.00 O ATOM 1161 CB SER A 73 -1.614 14.439 0.475 1.00 0.00 C ATOM 1162 OG SER A 73 -0.996 15.540 -0.168 1.00 0.00 O ATOM 0 H SER A 73 -1.496 12.707 -1.588 1.00 0.00 H new ATOM 0 HA SER A 73 0.220 13.349 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.604 14.274 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.755 14.664 1.532 1.00 0.00 H new ATOM 0 HG SER A 73 -1.555 16.338 -0.060 1.00 0.00 H new ATOM 1168 N LEU A 74 -1.679 12.255 2.380 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.296 11.243 3.231 1.00 0.00 C ATOM 1170 C LEU A 74 -3.821 11.317 3.164 1.00 0.00 C ATOM 1171 O LEU A 74 -4.512 10.389 3.584 1.00 0.00 O ATOM 1172 CB LEU A 74 -1.830 11.413 4.678 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.325 11.251 4.897 1.00 0.00 C ATOM 1174 CD1 LEU A 74 0.056 11.667 6.310 1.00 0.00 C ATOM 1175 CD2 LEU A 74 0.100 9.816 4.629 1.00 0.00 C ATOM 0 H LEU A 74 -1.472 13.134 2.854 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.986 10.264 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.128 12.402 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.352 10.686 5.300 1.00 0.00 H new ATOM 0 HG LEU A 74 0.198 11.901 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.130 11.545 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.214 12.711 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.475 11.043 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.174 9.719 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.430 9.147 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.138 9.552 3.599 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.342 12.423 2.637 1.00 0.00 N ATOM 1188 CA ASP A 75 -5.784 12.607 2.522 1.00 0.00 C ATOM 1189 C ASP A 75 -6.279 12.213 1.133 1.00 0.00 C ATOM 1190 O ASP A 75 -7.281 12.740 0.649 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.158 14.061 2.815 1.00 0.00 C ATOM 1192 CG ASP A 75 -5.943 14.431 4.270 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -5.998 13.525 5.127 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -5.720 15.628 4.551 1.00 0.00 O ATOM 0 H ASP A 75 -3.787 13.203 2.284 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.265 11.959 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.563 14.721 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.203 14.225 2.552 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.573 11.284 0.496 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.943 10.821 -0.836 1.00 0.00 C ATOM 1201 C GLN A 76 -6.334 9.347 -0.810 1.00 0.00 C ATOM 1202 O GLN A 76 -7.237 8.921 -1.531 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.787 11.037 -1.814 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.435 12.500 -2.026 1.00 0.00 C ATOM 1205 CD GLN A 76 -5.020 13.061 -3.307 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -6.199 12.866 -3.602 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -4.196 13.762 -4.077 1.00 0.00 N ATOM 0 H GLN A 76 -4.741 10.837 0.881 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.804 11.401 -1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.907 10.510 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.046 10.591 -2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.797 13.083 -1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.351 12.609 -2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.226 13.899 -3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.533 14.164 -4.952 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.648 8.573 0.024 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.923 7.145 0.145 1.00 0.00 C ATOM 1218 C LEU A 77 -7.364 6.903 0.582 1.00 0.00 C ATOM 1219 O LEU A 77 -8.087 7.840 0.921 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.959 6.504 1.146 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.482 6.570 0.755 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.610 6.735 1.990 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.080 5.325 -0.021 1.00 0.00 C ATOM 0 H LEU A 77 -4.897 8.910 0.627 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.779 6.687 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.085 6.992 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.238 5.459 1.278 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.334 7.438 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.562 6.780 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.881 7.656 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.761 5.887 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.026 5.389 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.243 4.442 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.683 5.250 -0.926 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.775 5.639 0.572 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.130 5.272 0.968 1.00 0.00 C ATOM 1237 C VAL A 78 -9.121 4.075 1.912 1.00 0.00 C ATOM 1238 O VAL A 78 -8.175 3.288 1.924 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.002 4.939 -0.257 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.454 4.754 0.155 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.874 6.024 -1.315 1.00 0.00 C ATOM 0 H VAL A 78 -7.189 4.852 0.294 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.554 6.134 1.483 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.649 4.002 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.055 4.519 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.527 3.937 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.823 5.673 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.497 5.771 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.199 6.978 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.834 6.102 -1.632 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.182 3.943 2.702 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.297 2.841 3.649 1.00 0.00 C ATOM 1253 C GLU A 79 -10.539 1.522 2.921 1.00 0.00 C ATOM 1254 O GLU A 79 -11.533 1.366 2.213 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.432 3.108 4.639 1.00 0.00 C ATOM 1256 CG GLU A 79 -11.104 2.697 6.066 1.00 0.00 C ATOM 1257 CD GLU A 79 -12.075 3.276 7.077 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -13.251 2.855 7.080 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.658 4.150 7.866 1.00 0.00 O ATOM 0 H GLU A 79 -10.974 4.586 2.705 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.358 2.765 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.675 4.170 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.323 2.572 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.115 1.609 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.093 3.023 6.311 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.622 0.576 3.101 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.755 -0.716 2.454 1.00 0.00 C ATOM 1268 C GLY A 80 -9.423 -0.660 0.976 1.00 0.00 C ATOM 1269 O GLY A 80 -10.297 -0.845 0.129 1.00 0.00 O ATOM 0 H GLY A 80 -8.791 0.681 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.097 -1.434 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.775 -1.079 2.581 1.00 0.00 H new ATOM 1273 N GLU A 81 -8.157 -0.403 0.665 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.712 -0.323 -0.722 1.00 0.00 C ATOM 1275 C GLU A 81 -6.264 -0.785 -0.856 1.00 0.00 C ATOM 1276 O GLU A 81 -5.572 -0.991 0.141 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.854 1.110 -1.242 1.00 0.00 C ATOM 1278 CG GLU A 81 -9.135 1.347 -2.025 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.199 0.529 -3.300 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.724 1.021 -4.345 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -9.723 -0.603 -3.253 1.00 0.00 O ATOM 0 H GLU A 81 -7.421 -0.247 1.354 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.341 -0.983 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.821 1.799 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.000 1.343 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.991 1.101 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.215 2.406 -2.272 1.00 0.00 H new ATOM 1288 N SER A 82 -5.813 -0.946 -2.096 1.00 0.00 N ATOM 1289 CA SER A 82 -4.447 -1.384 -2.361 1.00 0.00 C ATOM 1290 C SER A 82 -3.720 -0.386 -3.255 1.00 0.00 C ATOM 1291 O SER A 82 -4.336 0.285 -4.084 1.00 0.00 O ATOM 1292 CB SER A 82 -4.452 -2.766 -3.019 1.00 0.00 C ATOM 1293 OG SER A 82 -5.401 -3.620 -2.404 1.00 0.00 O ATOM 0 H SER A 82 -6.373 -0.780 -2.932 1.00 0.00 H new ATOM 0 HA SER A 82 -3.919 -1.443 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.681 -2.666 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.459 -3.210 -2.948 1.00 0.00 H new ATOM 0 HG SER A 82 -5.386 -4.496 -2.843 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.405 -0.292 -3.082 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.593 0.625 -3.873 1.00 0.00 C ATOM 1301 C TYR A 83 -0.216 0.031 -4.151 1.00 0.00 C ATOM 1302 O TYR A 83 0.274 -0.806 -3.392 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.447 1.965 -3.150 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.768 2.626 -2.826 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.467 2.298 -1.671 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.316 3.579 -3.676 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.674 2.900 -1.372 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.522 4.186 -3.383 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.197 3.843 -2.231 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.399 4.445 -1.937 1.00 0.00 O ATOM 0 H TYR A 83 -1.880 -0.840 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.098 0.788 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.891 1.810 -2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.855 2.639 -3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.060 1.560 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.791 3.849 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.205 2.633 -0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.934 4.926 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.625 5.086 -2.643 1.00 0.00 H new ATOM 1320 N VAL A 84 0.403 0.469 -5.241 1.00 0.00 N ATOM 1321 CA VAL A 84 1.724 -0.019 -5.618 1.00 0.00 C ATOM 1322 C VAL A 84 2.791 1.043 -5.376 1.00 0.00 C ATOM 1323 O VAL A 84 2.629 2.200 -5.762 1.00 0.00 O ATOM 1324 CB VAL A 84 1.766 -0.443 -7.098 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.083 -1.132 -7.420 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.588 -1.348 -7.428 1.00 0.00 C ATOM 0 H VAL A 84 0.011 1.161 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 84 1.930 -0.888 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 84 1.691 0.452 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.094 -1.424 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.909 -0.448 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.192 -2.019 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.634 -1.637 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.629 -2.240 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.344 -0.815 -7.239 1.00 0.00 H new ATOM 1336 N CYS A 85 3.883 0.641 -4.733 1.00 0.00 N ATOM 1337 CA CYS A 85 4.978 1.559 -4.439 1.00 0.00 C ATOM 1338 C CYS A 85 5.954 1.634 -5.608 1.00 0.00 C ATOM 1339 O CYS A 85 6.590 0.642 -5.963 1.00 0.00 O ATOM 1340 CB CYS A 85 5.714 1.118 -3.172 1.00 0.00 C ATOM 1341 SG CYS A 85 4.806 1.439 -1.642 1.00 0.00 S ATOM 0 H CYS A 85 4.033 -0.313 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 85 4.555 2.551 -4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.925 0.051 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.675 1.630 -3.126 1.00 0.00 H new ATOM 0 HG CYS A 85 3.533 1.277 -1.851 1.00 0.00 H new ATOM 1347 N GLY A 86 6.066 2.817 -6.203 1.00 0.00 N ATOM 1348 CA GLY A 86 6.966 2.999 -7.327 1.00 0.00 C ATOM 1349 C GLY A 86 8.131 3.911 -6.995 1.00 0.00 C ATOM 1350 O GLY A 86 8.253 4.388 -5.866 1.00 0.00 O ATOM 0 H GLY A 86 5.550 3.653 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.347 2.028 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.412 3.414 -8.169 1.00 0.00 H new ATOM 1354 N SER A 87 8.990 4.153 -7.980 1.00 0.00 N ATOM 1355 CA SER A 87 10.151 5.014 -7.787 1.00 0.00 C ATOM 1356 C SER A 87 10.661 5.547 -9.122 1.00 0.00 C ATOM 1357 O SER A 87 10.491 6.724 -9.437 1.00 0.00 O ATOM 1358 CB SER A 87 11.266 4.249 -7.072 1.00 0.00 C ATOM 1359 OG SER A 87 12.430 5.047 -6.940 1.00 0.00 O ATOM 0 H SER A 87 8.904 3.765 -8.919 1.00 0.00 H new ATOM 0 HA SER A 87 9.846 5.860 -7.171 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.922 3.936 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.504 3.343 -7.629 1.00 0.00 H new ATOM 0 HG SER A 87 13.127 4.535 -6.478 1.00 0.00 H new ATOM 1365 N ILE A 88 11.286 4.672 -9.903 1.00 0.00 N ATOM 1366 CA ILE A 88 11.821 5.054 -11.204 1.00 0.00 C ATOM 1367 C ILE A 88 11.175 4.244 -12.323 1.00 0.00 C ATOM 1368 O ILE A 88 10.769 4.794 -13.347 1.00 0.00 O ATOM 1369 CB ILE A 88 13.348 4.862 -11.263 1.00 0.00 C ATOM 1370 CG1 ILE A 88 14.012 5.489 -10.036 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.909 5.465 -12.543 1.00 0.00 C ATOM 1372 CD1 ILE A 88 14.298 4.496 -8.930 1.00 0.00 C ATOM 0 H ILE A 88 11.434 3.693 -9.657 1.00 0.00 H new ATOM 0 HA ILE A 88 11.590 6.110 -11.343 1.00 0.00 H new ATOM 0 HB ILE A 88 13.565 3.794 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.946 5.961 -10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.368 6.278 -9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.989 5.321 -12.570 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.456 4.975 -13.405 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.684 6.531 -12.572 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.769 5.010 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.364 4.042 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.967 3.720 -9.302 1.00 0.00 H new ATOM 1384 N GLU A 89 11.083 2.934 -12.121 1.00 0.00 N ATOM 1385 CA GLU A 89 10.486 2.047 -13.114 1.00 0.00 C ATOM 1386 C GLU A 89 9.018 2.396 -13.343 1.00 0.00 C ATOM 1387 O GLU A 89 8.333 2.862 -12.433 1.00 0.00 O ATOM 1388 CB GLU A 89 10.613 0.589 -12.668 1.00 0.00 C ATOM 1389 CG GLU A 89 10.193 0.355 -11.226 1.00 0.00 C ATOM 1390 CD GLU A 89 11.375 0.141 -10.301 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.160 1.093 -10.110 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.515 -0.980 -9.767 1.00 0.00 O ATOM 0 H GLU A 89 11.414 2.463 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 89 11.023 2.180 -14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.004 -0.036 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.647 0.268 -12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.614 1.210 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.538 -0.515 -11.179 1.00 0.00 H new ATOM 1399 N PRO A 90 8.513 2.172 -14.568 1.00 0.00 N ATOM 1400 CA PRO A 90 7.118 2.465 -14.913 1.00 0.00 C ATOM 1401 C PRO A 90 6.143 1.498 -14.249 1.00 0.00 C ATOM 1402 O PRO A 90 6.519 0.394 -13.856 1.00 0.00 O ATOM 1403 CB PRO A 90 7.085 2.296 -16.433 1.00 0.00 C ATOM 1404 CG PRO A 90 8.189 1.343 -16.732 1.00 0.00 C ATOM 1405 CD PRO A 90 9.261 1.617 -15.713 1.00 0.00 C ATOM 0 HA PRO A 90 6.813 3.455 -14.574 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.124 1.906 -16.767 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.236 3.249 -16.941 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.843 0.312 -16.666 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.567 1.488 -17.744 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.797 0.708 -15.440 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.001 2.323 -16.089 1.00 0.00 H new ATOM 1413 N PHE A 91 4.889 1.921 -14.127 1.00 0.00 N ATOM 1414 CA PHE A 91 3.860 1.093 -13.511 1.00 0.00 C ATOM 1415 C PHE A 91 3.676 -0.210 -14.281 1.00 0.00 C ATOM 1416 O PHE A 91 3.743 -0.231 -15.510 1.00 0.00 O ATOM 1417 CB PHE A 91 2.533 1.853 -13.449 1.00 0.00 C ATOM 1418 CG PHE A 91 1.507 1.199 -12.567 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.489 1.444 -11.204 1.00 0.00 C ATOM 1420 CD2 PHE A 91 0.561 0.340 -13.103 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.547 0.844 -10.390 1.00 0.00 C ATOM 1422 CE2 PHE A 91 -0.384 -0.263 -12.295 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.391 -0.011 -10.937 1.00 0.00 C ATOM 0 H PHE A 91 4.561 2.833 -14.447 1.00 0.00 H new ATOM 0 HA PHE A 91 4.182 0.853 -12.498 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.719 2.864 -13.088 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.129 1.944 -14.457 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.220 2.112 -10.772 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.562 0.140 -14.164 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.544 1.043 -9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.116 -0.930 -12.725 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.128 -0.481 -10.303 1.00 0.00 H new ATOM 1433 N LYS A 92 3.445 -1.297 -13.551 1.00 0.00 N ATOM 1434 CA LYS A 92 3.253 -2.605 -14.166 1.00 0.00 C ATOM 1435 C LYS A 92 1.893 -3.187 -13.793 1.00 0.00 C ATOM 1436 O LYS A 92 1.517 -3.209 -12.621 1.00 0.00 O ATOM 1437 CB LYS A 92 4.366 -3.562 -13.737 1.00 0.00 C ATOM 1438 CG LYS A 92 5.764 -3.029 -14.005 1.00 0.00 C ATOM 1439 CD LYS A 92 6.804 -4.136 -13.938 1.00 0.00 C ATOM 1440 CE LYS A 92 7.876 -3.958 -15.001 1.00 0.00 C ATOM 1441 NZ LYS A 92 7.635 -4.831 -16.184 1.00 0.00 N ATOM 0 H LYS A 92 3.386 -1.297 -12.533 1.00 0.00 H new ATOM 0 HA LYS A 92 3.290 -2.479 -15.248 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.264 -3.771 -12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.241 -4.510 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.793 -2.560 -14.988 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.006 -2.256 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.266 -4.143 -12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.317 -5.102 -14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.903 -2.916 -15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.852 -4.187 -14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.387 -4.680 -16.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.634 -5.827 -15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.715 -4.596 -16.607 1.00 0.00 H new ATOM 1455 N LYS A 93 1.160 -3.657 -14.797 1.00 0.00 N ATOM 1456 CA LYS A 93 -0.158 -4.240 -14.574 1.00 0.00 C ATOM 1457 C LYS A 93 -0.044 -5.715 -14.201 1.00 0.00 C ATOM 1458 O LYS A 93 0.222 -6.562 -15.053 1.00 0.00 O ATOM 1459 CB LYS A 93 -1.027 -4.079 -15.824 1.00 0.00 C ATOM 1460 CG LYS A 93 -2.226 -3.168 -15.617 1.00 0.00 C ATOM 1461 CD LYS A 93 -3.274 -3.374 -16.699 1.00 0.00 C ATOM 1462 CE LYS A 93 -4.683 -3.302 -16.131 1.00 0.00 C ATOM 1463 NZ LYS A 93 -5.584 -4.312 -16.751 1.00 0.00 N ATOM 0 H LYS A 93 1.456 -3.646 -15.773 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.628 -3.712 -13.745 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.415 -3.682 -16.634 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.378 -5.061 -16.142 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.667 -3.362 -14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.899 -2.128 -15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.153 -2.616 -17.473 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.122 -4.343 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.648 -3.460 -15.053 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.090 -2.304 -16.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.534 -4.230 -16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.638 -4.146 -17.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.210 -5.266 -16.574 1.00 0.00 H new ATOM 1477 N LEU A 94 -0.246 -6.014 -12.922 1.00 0.00 N ATOM 1478 CA LEU A 94 -0.166 -7.386 -12.436 1.00 0.00 C ATOM 1479 C LEU A 94 -1.359 -7.718 -11.546 1.00 0.00 C ATOM 1480 O LEU A 94 -1.936 -6.837 -10.909 1.00 0.00 O ATOM 1481 CB LEU A 94 1.137 -7.601 -11.664 1.00 0.00 C ATOM 1482 CG LEU A 94 2.392 -7.055 -12.347 1.00 0.00 C ATOM 1483 CD1 LEU A 94 3.604 -7.214 -11.443 1.00 0.00 C ATOM 1484 CD2 LEU A 94 2.621 -7.755 -13.678 1.00 0.00 C ATOM 0 H LEU A 94 -0.466 -5.324 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.183 -8.052 -13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.042 -7.133 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.269 -8.670 -11.495 1.00 0.00 H new ATOM 0 HG LEU A 94 2.245 -5.992 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.487 -6.820 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.440 -6.666 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.755 -8.270 -11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.518 -7.354 -14.150 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.747 -8.825 -13.510 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.763 -7.588 -14.329 1.00 0.00 H new ATOM 1496 N GLU A 95 -1.725 -8.996 -11.506 1.00 0.00 N ATOM 1497 CA GLU A 95 -2.849 -9.444 -10.694 1.00 0.00 C ATOM 1498 C GLU A 95 -2.396 -9.783 -9.277 1.00 0.00 C ATOM 1499 O GLU A 95 -1.976 -10.906 -9.001 1.00 0.00 O ATOM 1500 CB GLU A 95 -3.516 -10.662 -11.338 1.00 0.00 C ATOM 1501 CG GLU A 95 -5.025 -10.530 -11.470 1.00 0.00 C ATOM 1502 CD GLU A 95 -5.521 -10.875 -12.861 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -4.852 -10.491 -13.843 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -6.580 -11.530 -12.968 1.00 0.00 O ATOM 0 H GLU A 95 -1.259 -9.739 -12.027 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.573 -8.631 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.086 -10.821 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.287 -11.547 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.508 -11.183 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.319 -9.509 -11.226 1.00 0.00 H new ATOM 1511 N TYR A 96 -2.485 -8.804 -8.382 1.00 0.00 N ATOM 1512 CA TYR A 96 -2.085 -8.999 -6.994 1.00 0.00 C ATOM 1513 C TYR A 96 -3.204 -9.656 -6.193 1.00 0.00 C ATOM 1514 O TYR A 96 -2.960 -10.554 -5.387 1.00 0.00 O ATOM 1515 CB TYR A 96 -1.705 -7.661 -6.358 1.00 0.00 C ATOM 1516 CG TYR A 96 -0.570 -6.954 -7.064 1.00 0.00 C ATOM 1517 CD1 TYR A 96 0.753 -7.253 -6.765 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.822 -5.989 -8.031 1.00 0.00 C ATOM 1519 CE1 TYR A 96 1.793 -6.609 -7.409 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.212 -5.341 -8.679 1.00 0.00 C ATOM 1521 CZ TYR A 96 1.517 -5.655 -8.364 1.00 0.00 C ATOM 1522 OH TYR A 96 2.550 -5.012 -9.008 1.00 0.00 O ATOM 0 H TYR A 96 -2.831 -7.868 -8.594 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.217 -9.659 -6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.579 -7.010 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -1.426 -7.829 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.973 -8.001 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.843 -5.741 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.816 -6.852 -7.165 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.001 -4.593 -9.428 1.00 0.00 H new ATOM 0 HH TYR A 96 2.185 -4.370 -9.652 1.00 0.00 H new ATOM 1532 N THR A 97 -4.433 -9.203 -6.421 1.00 0.00 N ATOM 1533 CA THR A 97 -5.591 -9.747 -5.721 1.00 0.00 C ATOM 1534 C THR A 97 -5.752 -11.239 -6.002 1.00 0.00 C ATOM 1535 O THR A 97 -6.330 -11.971 -5.200 1.00 0.00 O ATOM 1536 CB THR A 97 -6.859 -8.999 -6.135 1.00 0.00 C ATOM 1537 OG1 THR A 97 -7.049 -9.071 -7.537 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.845 -7.536 -5.748 1.00 0.00 C ATOM 0 H THR A 97 -4.652 -8.461 -7.085 1.00 0.00 H new ATOM 0 HA THR A 97 -5.430 -9.615 -4.651 1.00 0.00 H new ATOM 0 HB THR A 97 -7.671 -9.491 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.866 -8.588 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.773 -7.065 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.750 -7.447 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.001 -7.041 -6.228 1.00 0.00 H new ATOM 1546 N LYS A 98 -5.239 -11.683 -7.146 1.00 0.00 N ATOM 1547 CA LYS A 98 -5.329 -13.087 -7.530 1.00 0.00 C ATOM 1548 C LYS A 98 -4.703 -13.988 -6.469 1.00 0.00 C ATOM 1549 O LYS A 98 -5.116 -15.134 -6.293 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.641 -13.313 -8.878 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.363 -14.311 -9.770 1.00 0.00 C ATOM 1552 CD LYS A 98 -4.565 -14.613 -11.028 1.00 0.00 C ATOM 1553 CE LYS A 98 -5.463 -14.691 -12.252 1.00 0.00 C ATOM 1554 NZ LYS A 98 -4.680 -14.676 -13.518 1.00 0.00 N ATOM 0 H LYS A 98 -4.757 -11.091 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.384 -13.344 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.564 -12.360 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.624 -13.664 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.537 -15.235 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.341 -13.915 -10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.812 -13.839 -11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.033 -15.556 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.061 -15.601 -12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.159 -13.852 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.329 -14.731 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.129 -13.796 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.034 -15.491 -13.536 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.704 -13.463 -5.766 1.00 0.00 N ATOM 1569 CA ASN A 99 -3.022 -14.222 -4.724 1.00 0.00 C ATOM 1570 C ASN A 99 -3.230 -13.582 -3.355 1.00 0.00 C ATOM 1571 O ASN A 99 -2.382 -13.696 -2.470 1.00 0.00 O ATOM 1572 CB ASN A 99 -1.527 -14.320 -5.031 1.00 0.00 C ATOM 1573 CG ASN A 99 -1.257 -14.765 -6.455 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -1.125 -15.958 -6.730 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -1.173 -13.806 -7.370 1.00 0.00 N ATOM 0 H ASN A 99 -3.349 -12.516 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.450 -15.224 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.060 -13.350 -4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.062 -15.023 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.993 -14.046 -8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.289 -12.830 -7.098 1.00 0.00 H new ATOM 1582 N VAL A 100 -4.364 -12.909 -3.186 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.683 -12.252 -1.924 1.00 0.00 C ATOM 1584 C VAL A 100 -6.188 -12.234 -1.681 1.00 0.00 C ATOM 1585 O VAL A 100 -6.657 -12.595 -0.602 1.00 0.00 O ATOM 1586 CB VAL A 100 -4.150 -10.807 -1.891 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -4.359 -10.189 -0.517 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.680 -10.771 -2.281 1.00 0.00 C ATOM 0 H VAL A 100 -5.077 -12.805 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.197 -12.827 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.710 -10.218 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.976 -9.169 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.423 -10.177 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.828 -10.777 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.321 -9.742 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.103 -11.376 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.561 -11.168 -3.289 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.940 -11.811 -2.692 1.00 0.00 N ATOM 1599 CA ASN A 101 -8.394 -11.744 -2.593 1.00 0.00 C ATOM 1600 C ASN A 101 -8.822 -10.756 -1.510 1.00 0.00 C ATOM 1601 O ASN A 101 -8.162 -10.629 -0.479 1.00 0.00 O ATOM 1602 CB ASN A 101 -8.971 -13.129 -2.294 1.00 0.00 C ATOM 1603 CG ASN A 101 -8.692 -14.124 -3.404 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -7.940 -15.081 -3.220 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -9.297 -13.901 -4.564 1.00 0.00 N ATOM 0 H ASN A 101 -6.566 -11.509 -3.591 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.782 -11.396 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -8.548 -13.502 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.048 -13.047 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -9.147 -14.536 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.912 -13.095 -4.672 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.939 -10.040 -1.731 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.451 -9.061 -0.768 1.00 0.00 C ATOM 1614 C PRO A 102 -11.102 -9.724 0.442 1.00 0.00 C ATOM 1615 O PRO A 102 -12.299 -10.010 0.436 1.00 0.00 O ATOM 1616 CB PRO A 102 -11.491 -8.286 -1.576 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.970 -9.257 -2.599 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.789 -10.127 -2.935 1.00 0.00 C ATOM 0 HA PRO A 102 -9.657 -8.437 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.309 -7.941 -0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.054 -7.403 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.796 -9.854 -2.213 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -12.337 -8.740 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -11.093 -11.154 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.266 -9.768 -3.822 1.00 0.00 H new ATOM 1626 N ASN A 103 -10.305 -9.966 1.478 1.00 0.00 N ATOM 1627 CA ASN A 103 -10.805 -10.595 2.696 1.00 0.00 C ATOM 1628 C ASN A 103 -9.907 -10.272 3.885 1.00 0.00 C ATOM 1629 O ASN A 103 -9.776 -11.071 4.812 1.00 0.00 O ATOM 1630 CB ASN A 103 -10.897 -12.111 2.510 1.00 0.00 C ATOM 1631 CG ASN A 103 -12.042 -12.721 3.295 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -13.046 -13.144 2.723 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -11.896 -12.768 4.614 1.00 0.00 N ATOM 0 H ASN A 103 -9.311 -9.736 1.499 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.800 -10.198 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -11.025 -12.337 1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.960 -12.570 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.634 -13.167 5.195 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.046 -12.405 5.046 1.00 0.00 H new ATOM 1640 N TRP A 104 -9.289 -9.095 3.853 1.00 0.00 N ATOM 1641 CA TRP A 104 -8.404 -8.666 4.929 1.00 0.00 C ATOM 1642 C TRP A 104 -8.982 -7.461 5.665 1.00 0.00 C ATOM 1643 O TRP A 104 -8.800 -7.314 6.873 1.00 0.00 O ATOM 1644 CB TRP A 104 -7.019 -8.325 4.375 1.00 0.00 C ATOM 1645 CG TRP A 104 -7.050 -7.304 3.279 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.436 -7.502 1.985 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.678 -5.925 3.381 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.328 -6.331 1.275 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.865 -5.348 2.110 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.206 -5.121 4.423 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.595 -4.005 1.855 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.939 -3.789 4.168 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.135 -3.243 2.894 1.00 0.00 C ATOM 0 H TRP A 104 -9.385 -8.422 3.093 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.311 -9.489 5.637 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -6.392 -7.956 5.187 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -6.552 -9.236 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.777 -8.443 1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.555 -6.213 0.288 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -6.053 -5.533 5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.743 -3.581 0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.573 -3.159 4.965 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -5.918 -2.198 2.728 1.00 0.00 H new ATOM 1664 N SER A 105 -9.680 -6.602 4.929 1.00 0.00 N ATOM 1665 CA SER A 105 -10.285 -5.411 5.513 1.00 0.00 C ATOM 1666 C SER A 105 -11.778 -5.620 5.751 1.00 0.00 C ATOM 1667 O SER A 105 -12.565 -4.676 5.686 1.00 0.00 O ATOM 1668 CB SER A 105 -10.067 -4.203 4.600 1.00 0.00 C ATOM 1669 OG SER A 105 -8.688 -3.908 4.466 1.00 0.00 O ATOM 0 H SER A 105 -9.840 -6.709 3.927 1.00 0.00 H new ATOM 0 HA SER A 105 -9.805 -5.224 6.473 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.496 -4.403 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.590 -3.337 5.006 1.00 0.00 H new ATOM 0 HG SER A 105 -8.189 -4.738 4.316 1.00 0.00 H new