USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 548 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 56 GLN : amide:sc= 0.479 K(o=1,f=-1.9) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 135:sc= 0.536 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00194 K(o=-0.0019,f=-1) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 66:sc= 0.0849 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -98:sc= 1.3 USER MOD Single : A 29 GLN : amide:sc= -0.0716 X(o=-0.072,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.424 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.848 K(o=0.85,f=-0.24) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.192 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.113 K(o=0.11,f=-7.8!) USER MOD Single : A 55 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0022) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.154) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.140 1.705 -10.075 1.00 0.00 N ATOM 152 CA GLU A 13 -8.026 2.567 -9.674 1.00 0.00 C ATOM 153 C GLU A 13 -7.353 2.072 -8.392 1.00 0.00 C ATOM 154 O GLU A 13 -6.149 1.831 -8.407 1.00 0.00 O ATOM 155 CB GLU A 13 -8.508 4.024 -9.506 1.00 0.00 C ATOM 156 CG GLU A 13 -7.987 4.935 -10.622 1.00 0.00 C ATOM 157 CD GLU A 13 -8.368 4.416 -12.002 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.575 4.174 -12.236 1.00 0.00 O ATOM 159 OE2 GLU A 13 -7.445 4.221 -12.829 1.00 0.00 O ATOM 0 HA GLU A 13 -7.280 2.530 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.598 4.046 -9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.175 4.407 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.389 5.939 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.902 5.013 -10.550 1.00 0.00 H new ATOM 166 N VAL A 14 -8.111 1.925 -7.298 1.00 0.00 N ATOM 167 CA VAL A 14 -7.596 1.476 -6.004 1.00 0.00 C ATOM 168 C VAL A 14 -6.858 0.155 -6.202 1.00 0.00 C ATOM 169 O VAL A 14 -5.659 0.099 -5.949 1.00 0.00 O ATOM 170 CB VAL A 14 -8.742 1.457 -4.967 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.458 0.677 -3.683 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.023 2.889 -4.507 1.00 0.00 C ATOM 0 H VAL A 14 -9.113 2.118 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.860 2.165 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.567 0.971 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.327 0.728 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.250 -0.364 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.595 1.110 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.831 2.884 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.125 3.308 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.314 3.496 -5.364 1.00 0.00 H new ATOM 182 N GLY A 15 -7.530 -0.874 -6.718 1.00 0.00 N ATOM 183 CA GLY A 15 -6.924 -2.157 -7.012 1.00 0.00 C ATOM 184 C GLY A 15 -5.666 -2.038 -7.853 1.00 0.00 C ATOM 185 O GLY A 15 -4.658 -2.629 -7.486 1.00 0.00 O ATOM 0 H GLY A 15 -8.524 -0.831 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.683 -2.662 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.647 -2.783 -7.535 1.00 0.00 H new ATOM 189 N LYS A 16 -5.679 -1.239 -8.924 1.00 0.00 N ATOM 190 CA LYS A 16 -4.526 -1.095 -9.802 1.00 0.00 C ATOM 191 C LYS A 16 -3.345 -0.590 -8.997 1.00 0.00 C ATOM 192 O LYS A 16 -2.291 -1.213 -9.028 1.00 0.00 O ATOM 193 CB LYS A 16 -4.856 -0.178 -10.989 1.00 0.00 C ATOM 194 CG LYS A 16 -3.771 -0.241 -12.073 1.00 0.00 C ATOM 195 CD LYS A 16 -4.340 0.224 -13.421 1.00 0.00 C ATOM 196 CE LYS A 16 -3.285 0.187 -14.529 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.480 1.423 -14.587 1.00 0.00 N ATOM 0 H LYS A 16 -6.486 -0.680 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.261 -2.065 -10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.816 -0.468 -11.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.961 0.849 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.927 0.388 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.394 -1.260 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.181 -0.412 -13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.727 1.238 -13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.625 -0.665 -14.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.777 0.033 -15.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.781 1.346 -15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.104 2.235 -14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.987 1.559 -13.681 1.00 0.00 H new ATOM 211 N VAL A 17 -3.517 0.512 -8.271 1.00 0.00 N ATOM 212 CA VAL A 17 -2.462 1.102 -7.466 1.00 0.00 C ATOM 213 C VAL A 17 -2.018 0.129 -6.361 1.00 0.00 C ATOM 214 O VAL A 17 -0.834 0.108 -6.034 1.00 0.00 O ATOM 215 CB VAL A 17 -2.942 2.469 -6.932 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.900 3.076 -5.987 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.199 3.461 -8.086 1.00 0.00 C ATOM 0 H VAL A 17 -4.400 1.021 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.574 1.284 -8.071 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.874 2.295 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.257 4.039 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.739 2.405 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.961 3.217 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.536 4.414 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.277 3.612 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.966 3.058 -8.748 1.00 0.00 H new ATOM 227 N ILE A 18 -2.909 -0.692 -5.799 1.00 0.00 N ATOM 228 CA ILE A 18 -2.559 -1.702 -4.799 1.00 0.00 C ATOM 229 C ILE A 18 -1.675 -2.759 -5.461 1.00 0.00 C ATOM 230 O ILE A 18 -0.541 -2.956 -5.031 1.00 0.00 O ATOM 231 CB ILE A 18 -3.829 -2.288 -4.130 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.487 -1.190 -3.275 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.490 -3.481 -3.211 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.947 -1.454 -2.908 1.00 0.00 C ATOM 0 H ILE A 18 -3.903 -0.673 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.989 -1.252 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.498 -2.636 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.912 -1.070 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.427 -0.244 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.405 -3.865 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.016 -4.269 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.809 -3.153 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.326 -0.628 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.541 -1.542 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.017 -2.380 -2.338 1.00 0.00 H new ATOM 246 N GLN A 19 -2.175 -3.421 -6.502 1.00 0.00 N ATOM 247 CA GLN A 19 -1.517 -4.478 -7.253 1.00 0.00 C ATOM 248 C GLN A 19 -0.124 -4.023 -7.697 1.00 0.00 C ATOM 249 O GLN A 19 0.863 -4.745 -7.548 1.00 0.00 O ATOM 250 CB GLN A 19 -2.402 -4.779 -8.471 1.00 0.00 C ATOM 251 CG GLN A 19 -2.056 -6.085 -9.199 1.00 0.00 C ATOM 252 CD GLN A 19 -2.860 -6.237 -10.491 1.00 0.00 C ATOM 253 OE1 GLN A 19 -3.360 -5.268 -11.062 1.00 0.00 O ATOM 254 NE2 GLN A 19 -2.988 -7.443 -11.015 1.00 0.00 N ATOM 0 H GLN A 19 -3.107 -3.218 -6.863 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.388 -5.371 -6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.442 -4.822 -8.147 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.322 -3.952 -9.176 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.991 -6.104 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.256 -6.932 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.576 -8.249 -10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.499 -7.568 -11.889 1.00 0.00 H new ATOM 263 N GLN A 20 -0.054 -2.812 -8.254 1.00 0.00 N ATOM 264 CA GLN A 20 1.161 -2.131 -8.645 1.00 0.00 C ATOM 265 C GLN A 20 2.055 -1.921 -7.429 1.00 0.00 C ATOM 266 O GLN A 20 3.129 -2.503 -7.361 1.00 0.00 O ATOM 267 CB GLN A 20 0.781 -0.797 -9.290 1.00 0.00 C ATOM 268 CG GLN A 20 0.346 -0.907 -10.747 1.00 0.00 C ATOM 269 CD GLN A 20 0.149 0.473 -11.364 1.00 0.00 C ATOM 270 OE1 GLN A 20 -0.348 1.399 -10.722 1.00 0.00 O ATOM 271 NE2 GLN A 20 0.573 0.661 -12.600 1.00 0.00 N ATOM 0 H GLN A 20 -0.890 -2.261 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 20 1.719 -2.731 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.027 -0.346 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.633 -0.120 -9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.096 -1.459 -11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.583 -1.474 -10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.983 -0.114 -13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.491 1.581 -13.033 1.00 0.00 H new ATOM 280 N GLY A 21 1.637 -1.100 -6.468 1.00 0.00 N ATOM 281 CA GLY A 21 2.474 -0.652 -5.370 1.00 0.00 C ATOM 282 C GLY A 21 2.938 -1.787 -4.463 1.00 0.00 C ATOM 283 O GLY A 21 4.000 -1.659 -3.849 1.00 0.00 O ATOM 0 H GLY A 21 0.689 -0.724 -6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.347 -0.139 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.922 0.076 -4.776 1.00 0.00 H new ATOM 287 N ARG A 22 2.188 -2.890 -4.386 1.00 0.00 N ATOM 288 CA ARG A 22 2.651 -4.147 -3.825 1.00 0.00 C ATOM 289 C ARG A 22 3.878 -4.608 -4.589 1.00 0.00 C ATOM 290 O ARG A 22 4.961 -4.715 -4.020 1.00 0.00 O ATOM 291 CB ARG A 22 1.548 -5.215 -3.929 1.00 0.00 C ATOM 292 CG ARG A 22 0.556 -5.141 -2.785 1.00 0.00 C ATOM 293 CD ARG A 22 -0.354 -6.365 -2.590 1.00 0.00 C ATOM 294 NE ARG A 22 -1.049 -6.832 -3.803 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.604 -7.726 -4.693 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.616 -8.255 -4.592 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.393 -8.114 -5.686 1.00 0.00 N ATOM 0 H ARG A 22 1.225 -2.927 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 22 2.900 -4.002 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.018 -5.094 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.005 -6.204 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.111 -4.977 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.076 -4.266 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.247 -7.185 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.101 -6.125 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.969 -6.430 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.229 -7.979 -3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.936 -8.935 -5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.335 -7.731 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.058 -8.795 -6.367 1.00 0.00 H new ATOM 311 N GLN A 23 3.706 -4.907 -5.872 1.00 0.00 N ATOM 312 CA GLN A 23 4.716 -5.449 -6.751 1.00 0.00 C ATOM 313 C GLN A 23 5.840 -4.451 -7.087 1.00 0.00 C ATOM 314 O GLN A 23 6.868 -4.864 -7.631 1.00 0.00 O ATOM 315 CB GLN A 23 3.985 -5.967 -7.991 1.00 0.00 C ATOM 316 CG GLN A 23 3.134 -7.207 -7.651 1.00 0.00 C ATOM 317 CD GLN A 23 2.571 -7.912 -8.883 1.00 0.00 C ATOM 318 OE1 GLN A 23 2.691 -9.134 -9.024 1.00 0.00 O ATOM 319 NE2 GLN A 23 1.919 -7.174 -9.764 1.00 0.00 N ATOM 0 H GLN A 23 2.812 -4.768 -6.343 1.00 0.00 H new ATOM 0 HA GLN A 23 5.246 -6.261 -6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.346 -5.182 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.709 -6.219 -8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.742 -7.912 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.309 -6.907 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.835 -6.167 -9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.500 -7.611 -10.585 1.00 0.00 H new ATOM 328 N SER A 24 5.722 -3.177 -6.713 1.00 0.00 N ATOM 329 CA SER A 24 6.826 -2.222 -6.639 1.00 0.00 C ATOM 330 C SER A 24 7.805 -2.552 -5.498 1.00 0.00 C ATOM 331 O SER A 24 8.914 -2.017 -5.492 1.00 0.00 O ATOM 332 CB SER A 24 6.277 -0.798 -6.472 1.00 0.00 C ATOM 333 OG SER A 24 5.523 -0.401 -7.604 1.00 0.00 O ATOM 0 H SER A 24 4.826 -2.769 -6.445 1.00 0.00 H new ATOM 0 HA SER A 24 7.383 -2.292 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.652 -0.749 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.103 -0.103 -6.320 1.00 0.00 H new ATOM 0 HG SER A 24 4.718 -0.955 -7.671 1.00 0.00 H new ATOM 339 N LYS A 25 7.446 -3.433 -4.556 1.00 0.00 N ATOM 340 CA LYS A 25 8.305 -3.978 -3.498 1.00 0.00 C ATOM 341 C LYS A 25 8.148 -5.504 -3.375 1.00 0.00 C ATOM 342 O LYS A 25 8.542 -6.091 -2.366 1.00 0.00 O ATOM 343 CB LYS A 25 7.985 -3.266 -2.174 1.00 0.00 C ATOM 344 CG LYS A 25 8.411 -1.792 -2.160 1.00 0.00 C ATOM 345 CD LYS A 25 8.077 -1.160 -0.804 1.00 0.00 C ATOM 346 CE LYS A 25 8.316 0.352 -0.864 1.00 0.00 C ATOM 347 NZ LYS A 25 8.319 0.983 0.470 1.00 0.00 N ATOM 0 H LYS A 25 6.497 -3.805 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 25 9.348 -3.795 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.913 -3.329 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.484 -3.789 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.481 -1.713 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.902 -1.251 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.038 -1.363 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.694 -1.604 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.270 0.545 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.542 0.814 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.485 2.005 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.400 0.825 0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.074 0.565 1.050 1.00 0.00 H new ATOM 361 N GLY A 26 7.506 -6.149 -4.351 1.00 0.00 N ATOM 362 CA GLY A 26 7.191 -7.575 -4.355 1.00 0.00 C ATOM 363 C GLY A 26 6.199 -8.017 -3.271 1.00 0.00 C ATOM 364 O GLY A 26 5.939 -9.210 -3.142 1.00 0.00 O ATOM 0 H GLY A 26 7.180 -5.672 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.784 -7.840 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.116 -8.138 -4.232 1.00 0.00 H new ATOM 368 N LEU A 27 5.633 -7.100 -2.479 1.00 0.00 N ATOM 369 CA LEU A 27 4.939 -7.446 -1.239 1.00 0.00 C ATOM 370 C LEU A 27 3.676 -8.240 -1.568 1.00 0.00 C ATOM 371 O LEU A 27 2.848 -7.807 -2.377 1.00 0.00 O ATOM 372 CB LEU A 27 4.630 -6.199 -0.390 1.00 0.00 C ATOM 373 CG LEU A 27 5.901 -5.439 0.050 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.578 -3.996 0.452 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.624 -6.150 1.200 1.00 0.00 C ATOM 0 H LEU A 27 5.644 -6.100 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 27 5.595 -8.070 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.991 -5.526 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.068 -6.498 0.494 1.00 0.00 H new ATOM 0 HG LEU A 27 6.567 -5.422 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.494 -3.489 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.138 -3.472 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.872 -3.999 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.512 -5.582 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.957 -6.224 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.918 -7.150 0.882 1.00 0.00 H new ATOM 387 N THR A 28 3.534 -9.419 -0.967 1.00 0.00 N ATOM 388 CA THR A 28 2.363 -10.259 -1.182 1.00 0.00 C ATOM 389 C THR A 28 1.111 -9.577 -0.621 1.00 0.00 C ATOM 390 O THR A 28 1.185 -8.603 0.138 1.00 0.00 O ATOM 391 CB THR A 28 2.575 -11.653 -0.567 1.00 0.00 C ATOM 392 OG1 THR A 28 2.672 -11.571 0.838 1.00 0.00 O ATOM 393 CG2 THR A 28 3.813 -12.345 -1.138 1.00 0.00 C ATOM 0 H THR A 28 4.220 -9.814 -0.324 1.00 0.00 H new ATOM 0 HA THR A 28 2.217 -10.394 -2.254 1.00 0.00 H new ATOM 0 HB THR A 28 1.704 -12.254 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.616 -11.577 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.926 -13.326 -0.677 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.700 -12.461 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.696 -11.742 -0.928 1.00 0.00 H new ATOM 401 N GLN A 29 -0.062 -10.119 -0.944 1.00 0.00 N ATOM 402 CA GLN A 29 -1.304 -9.652 -0.341 1.00 0.00 C ATOM 403 C GLN A 29 -1.312 -9.927 1.168 1.00 0.00 C ATOM 404 O GLN A 29 -1.811 -9.107 1.934 1.00 0.00 O ATOM 405 CB GLN A 29 -2.500 -10.292 -1.052 1.00 0.00 C ATOM 406 CG GLN A 29 -2.561 -9.832 -2.519 1.00 0.00 C ATOM 407 CD GLN A 29 -3.677 -10.511 -3.296 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.847 -11.722 -3.208 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.423 -9.770 -4.087 1.00 0.00 N ATOM 0 H GLN A 29 -0.176 -10.878 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.382 -8.572 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.419 -11.378 -1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.423 -10.020 -0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.705 -8.752 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.607 -10.042 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.263 -8.764 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.161 -10.201 -4.643 1.00 0.00 H new ATOM 418 N LYS A 30 -0.713 -11.036 1.617 1.00 0.00 N ATOM 419 CA LYS A 30 -0.492 -11.306 3.036 1.00 0.00 C ATOM 420 C LYS A 30 0.397 -10.245 3.659 1.00 0.00 C ATOM 421 O LYS A 30 0.087 -9.764 4.742 1.00 0.00 O ATOM 422 CB LYS A 30 0.097 -12.705 3.207 1.00 0.00 C ATOM 423 CG LYS A 30 -1.005 -13.783 3.167 1.00 0.00 C ATOM 424 CD LYS A 30 -0.459 -15.083 2.584 1.00 0.00 C ATOM 425 CE LYS A 30 0.585 -15.703 3.512 1.00 0.00 C ATOM 426 NZ LYS A 30 1.521 -16.569 2.777 1.00 0.00 N ATOM 0 H LYS A 30 -0.368 -11.772 1.001 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.448 -11.269 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.824 -12.895 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.632 -12.764 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.386 -13.960 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.844 -13.432 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.276 -15.787 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.014 -14.890 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.140 -14.912 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.084 -16.283 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.214 -16.972 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.994 -17.339 2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.017 -16.009 2.054 1.00 0.00 H new ATOM 440 N ASP A 31 1.480 -9.860 2.993 1.00 0.00 N ATOM 441 CA ASP A 31 2.409 -8.881 3.544 1.00 0.00 C ATOM 442 C ASP A 31 1.738 -7.519 3.661 1.00 0.00 C ATOM 443 O ASP A 31 1.975 -6.799 4.634 1.00 0.00 O ATOM 444 CB ASP A 31 3.686 -8.818 2.697 1.00 0.00 C ATOM 445 CG ASP A 31 4.489 -10.111 2.839 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.570 -10.660 3.962 1.00 0.00 O ATOM 447 OD2 ASP A 31 4.938 -10.640 1.794 1.00 0.00 O ATOM 0 H ASP A 31 1.736 -10.211 2.070 1.00 0.00 H new ATOM 0 HA ASP A 31 2.698 -9.192 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.427 -8.657 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.295 -7.969 3.009 1.00 0.00 H new ATOM 452 N LEU A 32 0.895 -7.145 2.692 1.00 0.00 N ATOM 453 CA LEU A 32 0.060 -5.949 2.776 1.00 0.00 C ATOM 454 C LEU A 32 -0.845 -6.061 4.003 1.00 0.00 C ATOM 455 O LEU A 32 -0.845 -5.163 4.842 1.00 0.00 O ATOM 456 CB LEU A 32 -0.768 -5.775 1.484 1.00 0.00 C ATOM 457 CG LEU A 32 -1.188 -4.326 1.154 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.766 -3.525 2.324 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.000 -3.547 0.584 1.00 0.00 C ATOM 0 H LEU A 32 0.775 -7.668 1.825 1.00 0.00 H new ATOM 0 HA LEU A 32 0.691 -5.066 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.190 -6.167 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.667 -6.386 1.564 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.993 -4.439 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.028 -2.523 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.658 -4.025 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.024 -3.456 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.310 -2.527 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.807 -3.526 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.350 -4.033 -0.327 1.00 0.00 H new ATOM 471 N ALA A 33 -1.570 -7.178 4.134 1.00 0.00 N ATOM 472 CA ALA A 33 -2.515 -7.420 5.214 1.00 0.00 C ATOM 473 C ALA A 33 -1.832 -7.221 6.565 1.00 0.00 C ATOM 474 O ALA A 33 -2.336 -6.490 7.413 1.00 0.00 O ATOM 475 CB ALA A 33 -3.105 -8.827 5.084 1.00 0.00 C ATOM 0 H ALA A 33 -1.510 -7.953 3.473 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.334 -6.704 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.811 -9.002 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.621 -8.918 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.303 -9.564 5.136 1.00 0.00 H new ATOM 481 N THR A 34 -0.658 -7.820 6.754 1.00 0.00 N ATOM 482 CA THR A 34 0.166 -7.650 7.938 1.00 0.00 C ATOM 483 C THR A 34 0.525 -6.176 8.162 1.00 0.00 C ATOM 484 O THR A 34 0.359 -5.692 9.284 1.00 0.00 O ATOM 485 CB THR A 34 1.396 -8.548 7.774 1.00 0.00 C ATOM 486 OG1 THR A 34 0.959 -9.878 7.596 1.00 0.00 O ATOM 487 CG2 THR A 34 2.332 -8.536 8.983 1.00 0.00 C ATOM 0 H THR A 34 -0.247 -8.452 6.067 1.00 0.00 H new ATOM 0 HA THR A 34 -0.377 -7.948 8.835 1.00 0.00 H new ATOM 0 HB THR A 34 1.951 -8.162 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.753 -10.031 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.180 -9.195 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.692 -7.522 9.154 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.793 -8.883 9.864 1.00 0.00 H new ATOM 495 N LYS A 35 0.952 -5.439 7.129 1.00 0.00 N ATOM 496 CA LYS A 35 1.287 -4.015 7.239 1.00 0.00 C ATOM 497 C LYS A 35 0.122 -3.144 7.723 1.00 0.00 C ATOM 498 O LYS A 35 0.373 -2.055 8.246 1.00 0.00 O ATOM 499 CB LYS A 35 1.842 -3.488 5.898 1.00 0.00 C ATOM 500 CG LYS A 35 3.377 -3.386 5.897 1.00 0.00 C ATOM 501 CD LYS A 35 3.860 -2.503 4.737 1.00 0.00 C ATOM 502 CE LYS A 35 5.333 -2.718 4.382 1.00 0.00 C ATOM 503 NZ LYS A 35 6.241 -1.941 5.249 1.00 0.00 N ATOM 0 H LYS A 35 1.075 -5.816 6.189 1.00 0.00 H new ATOM 0 HA LYS A 35 2.057 -3.940 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.524 -4.149 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.415 -2.506 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.720 -2.970 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.813 -4.381 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.249 -2.705 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.706 -1.456 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.573 -3.778 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.498 -2.436 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.226 -2.120 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.032 -0.927 5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.105 -2.228 6.239 1.00 0.00 H new ATOM 517 N ILE A 36 -1.127 -3.578 7.575 1.00 0.00 N ATOM 518 CA ILE A 36 -2.312 -2.848 8.030 1.00 0.00 C ATOM 519 C ILE A 36 -3.037 -3.581 9.172 1.00 0.00 C ATOM 520 O ILE A 36 -4.089 -3.128 9.627 1.00 0.00 O ATOM 521 CB ILE A 36 -3.200 -2.496 6.832 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.769 -3.732 6.126 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.450 -1.600 5.829 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.940 -3.304 5.258 1.00 0.00 C ATOM 0 H ILE A 36 -1.351 -4.466 7.126 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.005 -1.901 8.475 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.048 -1.942 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.000 -4.206 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.093 -4.470 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.105 -1.366 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.148 -0.676 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.566 -2.123 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.354 -4.175 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.709 -2.849 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.599 -2.580 4.518 1.00 0.00 H new ATOM 536 N ASN A 37 -2.456 -4.676 9.675 1.00 0.00 N ATOM 537 CA ASN A 37 -3.023 -5.569 10.684 1.00 0.00 C ATOM 538 C ASN A 37 -4.452 -5.989 10.312 1.00 0.00 C ATOM 539 O ASN A 37 -5.373 -5.897 11.123 1.00 0.00 O ATOM 540 CB ASN A 37 -2.904 -4.958 12.095 1.00 0.00 C ATOM 541 CG ASN A 37 -1.476 -4.934 12.611 1.00 0.00 C ATOM 542 OD1 ASN A 37 -1.043 -5.861 13.287 1.00 0.00 O ATOM 543 ND2 ASN A 37 -0.697 -3.909 12.318 1.00 0.00 N ATOM 0 H ASN A 37 -1.530 -4.976 9.371 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.439 -6.489 10.706 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.296 -3.941 12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.525 -5.528 12.786 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.266 -3.888 12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.058 -3.138 11.756 1.00 0.00 H new ATOM 550 N GLU A 38 -4.659 -6.422 9.071 1.00 0.00 N ATOM 551 CA GLU A 38 -5.923 -6.870 8.508 1.00 0.00 C ATOM 552 C GLU A 38 -5.725 -8.259 7.873 1.00 0.00 C ATOM 553 O GLU A 38 -4.704 -8.914 8.116 1.00 0.00 O ATOM 554 CB GLU A 38 -6.394 -5.806 7.513 1.00 0.00 C ATOM 555 CG GLU A 38 -7.902 -5.756 7.320 1.00 0.00 C ATOM 556 CD GLU A 38 -8.631 -5.078 8.480 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.833 -5.739 9.523 1.00 0.00 O ATOM 558 OE2 GLU A 38 -9.030 -3.900 8.336 1.00 0.00 O ATOM 0 H GLU A 38 -3.899 -6.471 8.392 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.698 -6.984 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.050 -4.829 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.922 -5.992 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.127 -5.223 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.282 -6.771 7.203 1.00 0.00 H new ATOM 565 N LYS A 39 -6.713 -8.783 7.138 1.00 0.00 N ATOM 566 CA LYS A 39 -6.703 -10.132 6.579 1.00 0.00 C ATOM 567 C LYS A 39 -6.406 -10.106 5.077 1.00 0.00 C ATOM 568 O LYS A 39 -6.865 -9.205 4.384 1.00 0.00 O ATOM 569 CB LYS A 39 -8.075 -10.762 6.786 1.00 0.00 C ATOM 570 CG LYS A 39 -8.624 -10.707 8.212 1.00 0.00 C ATOM 571 CD LYS A 39 -7.851 -11.496 9.279 1.00 0.00 C ATOM 572 CE LYS A 39 -6.707 -10.703 9.920 1.00 0.00 C ATOM 573 NZ LYS A 39 -6.199 -11.368 11.136 1.00 0.00 N ATOM 0 H LYS A 39 -7.561 -8.264 6.912 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.926 -10.707 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.785 -10.266 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.025 -11.806 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.662 -9.663 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.651 -11.072 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.544 -11.812 10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.446 -12.401 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.896 -10.589 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.054 -9.701 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.426 -10.804 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.968 -11.455 11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.845 -12.315 10.892 1.00 0.00 H new ATOM 587 N PRO A 40 -5.708 -11.112 4.534 1.00 0.00 N ATOM 588 CA PRO A 40 -5.351 -11.143 3.123 1.00 0.00 C ATOM 589 C PRO A 40 -6.523 -11.445 2.187 1.00 0.00 C ATOM 590 O PRO A 40 -6.434 -11.125 0.999 1.00 0.00 O ATOM 591 CB PRO A 40 -4.254 -12.189 3.013 1.00 0.00 C ATOM 592 CG PRO A 40 -4.454 -13.109 4.218 1.00 0.00 C ATOM 593 CD PRO A 40 -5.133 -12.225 5.263 1.00 0.00 C ATOM 0 HA PRO A 40 -5.021 -10.157 2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.331 -12.743 2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.267 -11.727 3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.073 -13.969 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.503 -13.497 4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.903 -12.778 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.415 -11.876 6.005 1.00 0.00 H new ATOM 601 N GLN A 41 -7.622 -12.022 2.689 1.00 0.00 N ATOM 602 CA GLN A 41 -8.857 -12.096 1.920 1.00 0.00 C ATOM 603 C GLN A 41 -9.291 -10.678 1.554 1.00 0.00 C ATOM 604 O GLN A 41 -9.518 -10.416 0.375 1.00 0.00 O ATOM 605 CB GLN A 41 -9.943 -12.848 2.703 1.00 0.00 C ATOM 606 CG GLN A 41 -11.298 -12.893 1.983 1.00 0.00 C ATOM 607 CD GLN A 41 -11.333 -13.770 0.735 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.701 -14.825 0.656 1.00 0.00 O ATOM 609 NE2 GLN A 41 -12.066 -13.359 -0.281 1.00 0.00 N ATOM 0 H GLN A 41 -7.675 -12.440 3.618 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.692 -12.659 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.605 -13.868 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.073 -12.373 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.053 -13.251 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.579 -11.877 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.588 -12.485 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.111 -13.915 -1.135 1.00 0.00 H new ATOM 618 N VAL A 42 -9.391 -9.769 2.533 1.00 0.00 N ATOM 619 CA VAL A 42 -9.899 -8.440 2.239 1.00 0.00 C ATOM 620 C VAL A 42 -8.940 -7.683 1.318 1.00 0.00 C ATOM 621 O VAL A 42 -9.417 -6.905 0.510 1.00 0.00 O ATOM 622 CB VAL A 42 -10.336 -7.645 3.488 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.305 -8.460 4.360 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.208 -7.138 4.387 1.00 0.00 C ATOM 0 H VAL A 42 -9.133 -9.930 3.506 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.831 -8.568 1.689 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.818 -6.765 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.593 -7.872 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.194 -8.710 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.816 -9.377 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.632 -6.595 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.627 -7.984 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.559 -6.473 3.817 1.00 0.00 H new ATOM 634 N ILE A 43 -7.624 -7.944 1.345 1.00 0.00 N ATOM 635 CA ILE A 43 -6.678 -7.336 0.402 1.00 0.00 C ATOM 636 C ILE A 43 -7.025 -7.743 -1.034 1.00 0.00 C ATOM 637 O ILE A 43 -7.127 -6.891 -1.918 1.00 0.00 O ATOM 638 CB ILE A 43 -5.221 -7.710 0.757 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.825 -7.248 2.170 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.199 -7.182 -0.269 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.943 -5.749 2.443 1.00 0.00 C ATOM 0 H ILE A 43 -7.190 -8.578 2.016 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.762 -6.252 0.478 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.194 -8.799 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.446 -7.778 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.794 -7.550 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.194 -7.476 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.419 -7.601 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.260 -6.095 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.638 -5.541 3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.299 -5.202 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.977 -5.434 2.301 1.00 0.00 H new ATOM 653 N ALA A 44 -7.206 -9.042 -1.272 1.00 0.00 N ATOM 654 CA ALA A 44 -7.569 -9.551 -2.587 1.00 0.00 C ATOM 655 C ALA A 44 -8.938 -9.033 -3.033 1.00 0.00 C ATOM 656 O ALA A 44 -9.172 -8.857 -4.233 1.00 0.00 O ATOM 657 CB ALA A 44 -7.547 -11.079 -2.555 1.00 0.00 C ATOM 0 H ALA A 44 -7.105 -9.765 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.842 -9.192 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.818 -11.467 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.547 -11.423 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.261 -11.438 -1.813 1.00 0.00 H new ATOM 663 N ASP A 45 -9.853 -8.804 -2.091 1.00 0.00 N ATOM 664 CA ASP A 45 -11.174 -8.258 -2.384 1.00 0.00 C ATOM 665 C ASP A 45 -11.085 -6.752 -2.634 1.00 0.00 C ATOM 666 O ASP A 45 -11.797 -6.243 -3.495 1.00 0.00 O ATOM 667 CB ASP A 45 -12.166 -8.611 -1.260 1.00 0.00 C ATOM 668 CG ASP A 45 -12.610 -10.077 -1.316 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.533 -10.704 -2.396 1.00 0.00 O ATOM 670 OD2 ASP A 45 -13.036 -10.647 -0.284 1.00 0.00 O ATOM 0 H ASP A 45 -9.696 -8.993 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.555 -8.713 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.703 -8.410 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.041 -7.965 -1.335 1.00 0.00 H new ATOM 675 N TYR A 46 -10.178 -6.038 -1.962 1.00 0.00 N ATOM 676 CA TYR A 46 -9.837 -4.645 -2.215 1.00 0.00 C ATOM 677 C TYR A 46 -9.372 -4.476 -3.652 1.00 0.00 C ATOM 678 O TYR A 46 -9.767 -3.494 -4.275 1.00 0.00 O ATOM 679 CB TYR A 46 -8.714 -4.172 -1.277 1.00 0.00 C ATOM 680 CG TYR A 46 -9.099 -3.157 -0.226 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.542 -3.589 1.034 1.00 0.00 C ATOM 682 CD2 TYR A 46 -8.930 -1.783 -0.477 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.819 -2.665 2.050 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.202 -0.846 0.532 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.657 -1.283 1.797 1.00 0.00 C ATOM 686 OH TYR A 46 -9.941 -0.369 2.761 1.00 0.00 O ATOM 0 H TYR A 46 -9.640 -6.438 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.730 -4.046 -2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.299 -5.045 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.916 -3.747 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.671 -4.645 1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.591 -1.449 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.154 -3.005 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.064 0.208 0.342 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.772 0.533 2.417 1.00 0.00 H new ATOM 696 N GLU A 47 -8.530 -5.384 -4.157 1.00 0.00 N ATOM 697 CA GLU A 47 -8.021 -5.354 -5.525 1.00 0.00 C ATOM 698 C GLU A 47 -9.193 -5.435 -6.507 1.00 0.00 C ATOM 699 O GLU A 47 -9.449 -4.478 -7.243 1.00 0.00 O ATOM 700 CB GLU A 47 -6.934 -6.429 -5.730 1.00 0.00 C ATOM 701 CG GLU A 47 -5.543 -5.829 -5.442 1.00 0.00 C ATOM 702 CD GLU A 47 -4.422 -6.869 -5.404 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.151 -7.577 -6.400 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.767 -7.025 -4.350 1.00 0.00 O ATOM 0 H GLU A 47 -8.179 -6.173 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.518 -4.408 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.118 -7.276 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.972 -6.807 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.312 -5.086 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.573 -5.305 -4.487 1.00 0.00 H new ATOM 711 N SER A 48 -10.006 -6.493 -6.435 1.00 0.00 N ATOM 712 CA SER A 48 -11.160 -6.632 -7.321 1.00 0.00 C ATOM 713 C SER A 48 -12.260 -5.579 -7.086 1.00 0.00 C ATOM 714 O SER A 48 -13.197 -5.517 -7.889 1.00 0.00 O ATOM 715 CB SER A 48 -11.771 -8.032 -7.182 1.00 0.00 C ATOM 716 OG SER A 48 -11.576 -8.814 -8.353 1.00 0.00 O ATOM 0 H SER A 48 -9.885 -7.261 -5.775 1.00 0.00 H new ATOM 0 HA SER A 48 -10.777 -6.473 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.324 -8.540 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.838 -7.944 -6.978 1.00 0.00 H new ATOM 0 HG SER A 48 -11.977 -9.699 -8.226 1.00 0.00 H new ATOM 722 N GLY A 49 -12.197 -4.771 -6.024 1.00 0.00 N ATOM 723 CA GLY A 49 -13.207 -3.757 -5.745 1.00 0.00 C ATOM 724 C GLY A 49 -14.354 -4.265 -4.875 1.00 0.00 C ATOM 725 O GLY A 49 -15.284 -3.512 -4.585 1.00 0.00 O ATOM 0 H GLY A 49 -11.444 -4.804 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.733 -2.910 -5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.612 -3.389 -6.688 1.00 0.00 H new ATOM 729 N ARG A 50 -14.307 -5.537 -4.476 1.00 0.00 N ATOM 730 CA ARG A 50 -15.343 -6.206 -3.706 1.00 0.00 C ATOM 731 C ARG A 50 -15.385 -5.688 -2.279 1.00 0.00 C ATOM 732 O ARG A 50 -16.480 -5.445 -1.778 1.00 0.00 O ATOM 733 CB ARG A 50 -15.130 -7.723 -3.738 1.00 0.00 C ATOM 734 CG ARG A 50 -15.415 -8.253 -5.147 1.00 0.00 C ATOM 735 CD ARG A 50 -15.557 -9.776 -5.131 1.00 0.00 C ATOM 736 NE ARG A 50 -16.048 -10.294 -6.421 1.00 0.00 N ATOM 737 CZ ARG A 50 -17.299 -10.162 -6.882 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.226 -9.514 -6.181 1.00 0.00 N ATOM 739 NH2 ARG A 50 -17.636 -10.675 -8.057 1.00 0.00 N ATOM 0 H ARG A 50 -13.517 -6.146 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.308 -5.985 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.107 -7.963 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.787 -8.208 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.329 -7.801 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.608 -7.965 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.592 -10.229 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.244 -10.069 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.381 -10.793 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.989 -9.107 -5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.173 -9.424 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.942 -11.173 -8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.590 -10.572 -8.404 1.00 0.00 H new ATOM 753 N ALA A 51 -14.232 -5.513 -1.629 1.00 0.00 N ATOM 754 CA ALA A 51 -14.206 -4.898 -0.310 1.00 0.00 C ATOM 755 C ALA A 51 -14.695 -3.456 -0.452 1.00 0.00 C ATOM 756 O ALA A 51 -14.319 -2.766 -1.405 1.00 0.00 O ATOM 757 CB ALA A 51 -12.797 -4.948 0.291 1.00 0.00 C ATOM 0 H ALA A 51 -13.319 -5.786 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.858 -5.445 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.805 -4.482 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.477 -5.986 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.105 -4.412 -0.358 1.00 0.00 H new ATOM 763 N ILE A 52 -15.507 -2.995 0.500 1.00 0.00 N ATOM 764 CA ILE A 52 -15.839 -1.582 0.618 1.00 0.00 C ATOM 765 C ILE A 52 -14.589 -0.910 1.198 1.00 0.00 C ATOM 766 O ILE A 52 -14.176 -1.286 2.299 1.00 0.00 O ATOM 767 CB ILE A 52 -17.084 -1.364 1.492 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.314 -2.127 0.957 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.384 0.141 1.598 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.797 -1.743 -0.445 1.00 0.00 C ATOM 0 H ILE A 52 -15.948 -3.588 1.203 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.099 -1.147 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.871 -1.764 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.083 -3.192 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.138 -1.979 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.267 0.293 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.532 0.651 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.565 0.547 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.665 -2.347 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.071 -0.688 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.999 -1.920 -1.166 1.00 0.00 H new ATOM 782 N PRO A 53 -13.930 0.017 0.486 1.00 0.00 N ATOM 783 CA PRO A 53 -12.652 0.533 0.927 1.00 0.00 C ATOM 784 C PRO A 53 -12.882 1.539 2.058 1.00 0.00 C ATOM 785 O PRO A 53 -13.486 2.596 1.878 1.00 0.00 O ATOM 786 CB PRO A 53 -12.004 1.111 -0.327 1.00 0.00 C ATOM 787 CG PRO A 53 -13.195 1.577 -1.158 1.00 0.00 C ATOM 788 CD PRO A 53 -14.305 0.585 -0.799 1.00 0.00 C ATOM 0 HA PRO A 53 -11.983 -0.214 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.333 1.936 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.414 0.363 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.478 2.600 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.971 1.557 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.272 1.085 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.395 -0.192 -1.558 1.00 0.00 H new ATOM 796 N ASN A 54 -12.400 1.198 3.245 1.00 0.00 N ATOM 797 CA ASN A 54 -12.589 1.934 4.486 1.00 0.00 C ATOM 798 C ASN A 54 -11.576 3.074 4.510 1.00 0.00 C ATOM 799 O ASN A 54 -10.398 2.819 4.264 1.00 0.00 O ATOM 800 CB ASN A 54 -12.352 0.920 5.615 1.00 0.00 C ATOM 801 CG ASN A 54 -12.343 1.476 7.032 1.00 0.00 C ATOM 802 OD1 ASN A 54 -12.190 2.666 7.266 1.00 0.00 O ATOM 803 ND2 ASN A 54 -12.437 0.610 8.023 1.00 0.00 N ATOM 0 H ASN A 54 -11.838 0.357 3.374 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.581 2.372 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.124 0.153 5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.397 0.426 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.382 0.933 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.565 -0.382 7.823 1.00 0.00 H new ATOM 810 N ASN A 55 -11.991 4.310 4.805 1.00 0.00 N ATOM 811 CA ASN A 55 -11.113 5.488 4.862 1.00 0.00 C ATOM 812 C ASN A 55 -9.921 5.305 5.806 1.00 0.00 C ATOM 813 O ASN A 55 -8.842 5.823 5.515 1.00 0.00 O ATOM 814 CB ASN A 55 -11.888 6.755 5.263 1.00 0.00 C ATOM 815 CG ASN A 55 -12.328 6.752 6.722 1.00 0.00 C ATOM 816 OD1 ASN A 55 -13.073 5.870 7.132 1.00 0.00 O ATOM 817 ND2 ASN A 55 -11.911 7.713 7.532 1.00 0.00 N ATOM 0 H ASN A 55 -12.965 4.526 5.015 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.724 5.605 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.263 7.629 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.767 6.853 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.210 7.724 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.291 8.443 7.181 1.00 0.00 H new ATOM 824 N GLN A 56 -10.084 4.565 6.905 1.00 0.00 N ATOM 825 CA GLN A 56 -9.003 4.214 7.817 1.00 0.00 C ATOM 826 C GLN A 56 -7.960 3.403 7.047 1.00 0.00 C ATOM 827 O GLN A 56 -6.811 3.811 6.874 1.00 0.00 O ATOM 828 CB GLN A 56 -9.578 3.396 8.993 1.00 0.00 C ATOM 829 CG GLN A 56 -8.556 3.210 10.120 1.00 0.00 C ATOM 830 CD GLN A 56 -8.821 1.934 10.910 1.00 0.00 C ATOM 831 OE1 GLN A 56 -8.008 1.010 10.890 1.00 0.00 O ATOM 832 NE2 GLN A 56 -9.923 1.864 11.626 1.00 0.00 N ATOM 0 H GLN A 56 -10.989 4.188 7.187 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.530 5.110 8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.462 3.898 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.900 2.419 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.551 3.176 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.592 4.068 10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.581 2.643 11.626 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.119 1.031 12.181 1.00 0.00 H new ATOM 841 N VAL A 57 -8.378 2.228 6.584 1.00 0.00 N ATOM 842 CA VAL A 57 -7.532 1.245 5.938 1.00 0.00 C ATOM 843 C VAL A 57 -6.912 1.829 4.682 1.00 0.00 C ATOM 844 O VAL A 57 -5.722 1.637 4.484 1.00 0.00 O ATOM 845 CB VAL A 57 -8.335 -0.030 5.689 1.00 0.00 C ATOM 846 CG1 VAL A 57 -7.519 -1.001 4.843 1.00 0.00 C ATOM 847 CG2 VAL A 57 -8.669 -0.661 7.043 1.00 0.00 C ATOM 0 H VAL A 57 -9.351 1.930 6.654 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.698 0.973 6.586 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.254 0.204 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.098 -1.908 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.277 -0.536 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.597 -1.254 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.243 -1.574 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.746 -0.899 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.256 0.040 7.636 1.00 0.00 H new ATOM 857 N LEU A 58 -7.655 2.591 3.884 1.00 0.00 N ATOM 858 CA LEU A 58 -7.153 3.249 2.686 1.00 0.00 C ATOM 859 C LEU A 58 -5.847 3.981 2.984 1.00 0.00 C ATOM 860 O LEU A 58 -4.884 3.800 2.250 1.00 0.00 O ATOM 861 CB LEU A 58 -8.220 4.208 2.127 1.00 0.00 C ATOM 862 CG LEU A 58 -9.204 3.540 1.153 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.394 4.478 0.929 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.550 3.229 -0.197 1.00 0.00 C ATOM 0 H LEU A 58 -8.644 2.771 4.058 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.942 2.495 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.780 4.637 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.723 5.033 1.618 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.528 2.597 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.099 4.014 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.890 4.670 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.041 5.419 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.280 2.758 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.196 4.154 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.708 2.553 -0.046 1.00 0.00 H new ATOM 876 N GLY A 59 -5.775 4.739 4.081 1.00 0.00 N ATOM 877 CA GLY A 59 -4.558 5.446 4.468 1.00 0.00 C ATOM 878 C GLY A 59 -3.456 4.525 4.988 1.00 0.00 C ATOM 879 O GLY A 59 -2.273 4.770 4.755 1.00 0.00 O ATOM 0 H GLY A 59 -6.557 4.878 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.181 6.001 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.802 6.178 5.238 1.00 0.00 H new ATOM 883 N LYS A 60 -3.817 3.437 5.668 1.00 0.00 N ATOM 884 CA LYS A 60 -2.853 2.426 6.103 1.00 0.00 C ATOM 885 C LYS A 60 -2.226 1.759 4.881 1.00 0.00 C ATOM 886 O LYS A 60 -1.025 1.506 4.884 1.00 0.00 O ATOM 887 CB LYS A 60 -3.538 1.395 7.012 1.00 0.00 C ATOM 888 CG LYS A 60 -4.058 2.039 8.302 1.00 0.00 C ATOM 889 CD LYS A 60 -5.087 1.162 9.011 1.00 0.00 C ATOM 890 CE LYS A 60 -4.587 -0.137 9.604 1.00 0.00 C ATOM 891 NZ LYS A 60 -5.396 -0.546 10.770 1.00 0.00 N ATOM 0 H LYS A 60 -4.781 3.232 5.932 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.061 2.902 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.366 0.930 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.833 0.601 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.221 2.229 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.506 3.005 8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.539 1.748 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.880 0.928 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.617 -0.920 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.545 -0.024 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.615 -1.560 10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.862 -0.365 11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.282 -0.001 10.786 1.00 0.00 H new ATOM 905 N ILE A 61 -3.023 1.484 3.846 1.00 0.00 N ATOM 906 CA ILE A 61 -2.567 0.960 2.564 1.00 0.00 C ATOM 907 C ILE A 61 -1.654 1.995 1.907 1.00 0.00 C ATOM 908 O ILE A 61 -0.653 1.602 1.313 1.00 0.00 O ATOM 909 CB ILE A 61 -3.743 0.553 1.647 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.576 -0.577 2.292 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.245 0.080 0.263 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.799 -0.959 1.457 1.00 0.00 C ATOM 0 H ILE A 61 -4.033 1.625 3.882 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.002 0.043 2.734 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.365 1.438 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.945 -1.455 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.902 -0.262 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.099 -0.198 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.694 0.887 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.590 -0.783 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.347 -1.757 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.447 -0.090 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.476 -1.302 0.474 1.00 0.00 H new ATOM 924 N GLU A 62 -1.927 3.299 2.037 1.00 0.00 N ATOM 925 CA GLU A 62 -0.989 4.286 1.503 1.00 0.00 C ATOM 926 C GLU A 62 0.391 4.087 2.116 1.00 0.00 C ATOM 927 O GLU A 62 1.364 3.941 1.383 1.00 0.00 O ATOM 928 CB GLU A 62 -1.402 5.760 1.691 1.00 0.00 C ATOM 929 CG GLU A 62 -2.742 6.132 1.071 1.00 0.00 C ATOM 930 CD GLU A 62 -3.025 7.625 1.086 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.905 8.277 2.153 1.00 0.00 O ATOM 932 OE2 GLU A 62 -3.466 8.141 0.032 1.00 0.00 O ATOM 0 H GLU A 62 -2.757 3.682 2.489 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.985 4.104 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.438 5.979 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.629 6.397 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.768 5.776 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.537 5.614 1.607 1.00 0.00 H new ATOM 939 N ARG A 63 0.486 4.015 3.446 1.00 0.00 N ATOM 940 CA ARG A 63 1.763 3.737 4.108 1.00 0.00 C ATOM 941 C ARG A 63 2.295 2.356 3.741 1.00 0.00 C ATOM 942 O ARG A 63 3.508 2.157 3.750 1.00 0.00 O ATOM 943 CB ARG A 63 1.641 3.897 5.629 1.00 0.00 C ATOM 944 CG ARG A 63 1.165 5.308 5.991 1.00 0.00 C ATOM 945 CD ARG A 63 1.369 5.626 7.475 1.00 0.00 C ATOM 946 NE ARG A 63 0.622 6.833 7.852 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.667 6.889 8.206 1.00 0.00 C ATOM 948 NH1 ARG A 63 -1.365 5.775 8.429 1.00 0.00 N ATOM 949 NH2 ARG A 63 -1.244 8.079 8.315 1.00 0.00 N ATOM 0 H ARG A 63 -0.301 4.144 4.082 1.00 0.00 H new ATOM 0 HA ARG A 63 2.485 4.471 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.940 3.160 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.605 3.702 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.705 6.037 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.109 5.408 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.039 4.783 8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.430 5.770 7.679 1.00 0.00 H new ATOM 0 HE ARG A 63 1.136 7.714 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.917 4.864 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.347 5.834 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.706 8.926 8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.226 8.147 8.583 1.00 0.00 H new ATOM 963 N ALA A 64 1.419 1.409 3.405 1.00 0.00 N ATOM 964 CA ALA A 64 1.792 0.059 3.018 1.00 0.00 C ATOM 965 C ALA A 64 2.652 0.037 1.744 1.00 0.00 C ATOM 966 O ALA A 64 3.583 -0.767 1.672 1.00 0.00 O ATOM 967 CB ALA A 64 0.549 -0.832 2.875 1.00 0.00 C ATOM 0 H ALA A 64 0.411 1.568 3.396 1.00 0.00 H new ATOM 0 HA ALA A 64 2.410 -0.349 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.854 -1.838 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.020 -0.874 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.110 -0.418 2.112 1.00 0.00 H new ATOM 973 N ILE A 65 2.374 0.897 0.754 1.00 0.00 N ATOM 974 CA ILE A 65 3.082 0.915 -0.538 1.00 0.00 C ATOM 975 C ILE A 65 3.814 2.240 -0.811 1.00 0.00 C ATOM 976 O ILE A 65 4.574 2.344 -1.776 1.00 0.00 O ATOM 977 CB ILE A 65 2.096 0.579 -1.676 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.964 1.622 -1.801 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.510 -0.826 -1.464 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.283 1.577 -3.165 1.00 0.00 C ATOM 0 H ILE A 65 1.645 1.607 0.826 1.00 0.00 H new ATOM 0 HA ILE A 65 3.859 0.152 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 65 2.655 0.604 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.223 1.446 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.372 2.619 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.815 -1.056 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.316 -1.560 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.983 -0.860 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.505 2.329 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.017 1.781 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.150 0.589 -3.323 1.00 0.00 H new ATOM 992 N GLY A 66 3.587 3.254 0.017 1.00 0.00 N ATOM 993 CA GLY A 66 4.114 4.607 -0.103 1.00 0.00 C ATOM 994 C GLY A 66 3.634 5.333 -1.353 1.00 0.00 C ATOM 995 O GLY A 66 4.408 6.110 -1.913 1.00 0.00 O ATOM 0 H GLY A 66 2.994 3.146 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.823 5.182 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.203 4.566 -0.111 1.00 0.00 H new ATOM 999 N LEU A 67 2.384 5.120 -1.774 1.00 0.00 N ATOM 1000 CA LEU A 67 1.694 5.896 -2.807 1.00 0.00 C ATOM 1001 C LEU A 67 0.296 6.241 -2.290 1.00 0.00 C ATOM 1002 O LEU A 67 -0.156 5.668 -1.302 1.00 0.00 O ATOM 1003 CB LEU A 67 1.565 5.126 -4.135 1.00 0.00 C ATOM 1004 CG LEU A 67 2.867 4.670 -4.815 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.518 3.824 -6.043 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.777 5.835 -5.244 1.00 0.00 C ATOM 0 H LEU A 67 1.804 4.374 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 67 2.281 6.792 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.951 4.243 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.020 5.755 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 67 3.425 4.092 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.436 3.496 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.941 2.953 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.929 4.420 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.676 5.439 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.245 6.471 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.055 6.421 -4.368 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.386 7.183 -2.940 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.725 7.643 -2.605 1.00 0.00 C ATOM 1020 C LYS A 68 -2.746 6.615 -3.064 1.00 0.00 C ATOM 1021 O LYS A 68 -2.622 6.104 -4.175 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.000 8.989 -3.295 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.359 10.157 -2.536 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.622 11.480 -3.266 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.207 12.701 -2.432 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.154 12.971 -1.328 1.00 0.00 N ATOM 0 H LYS A 68 0.001 7.666 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.802 7.772 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.614 8.961 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.076 9.148 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.762 10.206 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.285 9.993 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.077 11.486 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.682 11.553 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.210 12.537 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.146 13.577 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.844 13.813 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.104 13.137 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.181 12.153 -0.686 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.798 6.403 -2.272 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.914 5.483 -2.536 1.00 0.00 C ATOM 1042 C LEU A 69 -6.247 6.245 -2.621 1.00 0.00 C ATOM 1043 O LEU A 69 -7.310 5.632 -2.603 1.00 0.00 O ATOM 1044 CB LEU A 69 -4.975 4.380 -1.456 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.030 3.180 -1.632 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.464 2.268 -2.772 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.559 3.491 -1.877 1.00 0.00 C ATOM 0 H LEU A 69 -3.904 6.891 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.741 5.006 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.764 4.839 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.997 4.003 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.111 2.705 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.766 1.435 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.464 1.884 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.473 2.831 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.003 2.560 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.459 4.080 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.161 4.056 -1.034 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.221 7.579 -2.681 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.389 8.437 -2.830 1.00 0.00 C ATOM 1061 C ARG A 70 -7.027 9.579 -3.786 1.00 0.00 C ATOM 1062 O ARG A 70 -5.837 9.806 -4.035 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.845 9.001 -1.471 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.657 8.133 -0.213 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.137 8.921 1.024 1.00 0.00 C ATOM 1066 NE ARG A 70 -7.444 8.542 2.272 1.00 0.00 N ATOM 1067 CZ ARG A 70 -6.169 8.837 2.570 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -5.396 9.475 1.705 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -5.638 8.484 3.734 1.00 0.00 N ATOM 0 H ARG A 70 -5.350 8.107 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.217 7.854 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.316 9.940 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.905 9.242 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.221 7.205 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.608 7.858 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.990 9.986 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.208 8.764 1.151 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.977 8.014 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.767 9.750 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.429 9.691 1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.201 7.980 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.667 8.717 3.943 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.032 10.329 -4.244 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.918 11.373 -5.257 1.00 0.00 C ATOM 1085 C GLY A 71 -7.718 10.772 -6.649 1.00 0.00 C ATOM 1086 O GLY A 71 -7.485 9.570 -6.784 1.00 0.00 O ATOM 0 H GLY A 71 -8.987 10.218 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.816 11.990 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.080 12.027 -5.016 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.779 11.592 -7.704 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.293 11.185 -9.030 1.00 0.00 C ATOM 1092 C LYS A 72 -5.757 11.242 -9.072 1.00 0.00 C ATOM 1093 O LYS A 72 -5.135 10.717 -9.995 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.930 12.057 -10.130 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.910 11.358 -11.502 1.00 0.00 C ATOM 1096 CD LYS A 72 -8.074 12.281 -12.721 1.00 0.00 C ATOM 1097 CE LYS A 72 -9.517 12.583 -13.151 1.00 0.00 C ATOM 1098 NZ LYS A 72 -10.292 13.331 -12.146 1.00 0.00 N ATOM 0 H LYS A 72 -8.158 12.538 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.592 10.154 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.959 12.291 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.395 13.004 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.968 10.819 -11.601 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.707 10.614 -11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.576 13.226 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.552 11.831 -13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.498 13.153 -14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.027 11.644 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.191 13.645 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.486 12.717 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.747 14.160 -11.834 1.00 0.00 H new ATOM 1112 N ASP A 73 -5.109 11.870 -8.086 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.661 11.788 -7.866 1.00 0.00 C ATOM 1114 C ASP A 73 -3.292 10.416 -7.249 1.00 0.00 C ATOM 1115 O ASP A 73 -2.222 10.289 -6.662 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.126 12.967 -7.008 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.222 14.358 -7.652 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -2.269 14.776 -8.351 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -4.215 15.084 -7.393 1.00 0.00 O ATOM 0 H ASP A 73 -5.585 12.461 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.171 11.874 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.674 12.985 -6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.082 12.771 -6.765 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.146 9.384 -7.331 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.828 8.028 -6.901 1.00 0.00 C ATOM 1126 C ILE A 74 -2.541 7.537 -7.572 1.00 0.00 C ATOM 1127 O ILE A 74 -2.244 7.912 -8.713 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.036 7.105 -7.188 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.135 6.032 -6.101 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.153 6.655 -8.655 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.321 5.077 -6.250 1.00 0.00 C ATOM 0 H ILE A 74 -5.090 9.478 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.642 8.013 -5.827 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.960 7.678 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.214 5.449 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.201 6.523 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.025 6.012 -8.770 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.260 7.530 -9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.256 6.104 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.309 4.352 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.251 5.644 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.249 4.553 -7.203 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.776 6.694 -6.880 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.513 6.156 -7.371 1.00 0.00 C ATOM 1145 C GLY A 75 0.589 7.211 -7.506 1.00 0.00 C ATOM 1146 O GLY A 75 1.720 6.876 -7.854 1.00 0.00 O ATOM 0 H GLY A 75 -2.022 6.362 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.174 5.372 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.679 5.689 -8.342 1.00 0.00 H new ATOM 1150 N LYS A 76 0.322 8.489 -7.209 1.00 0.00 N ATOM 1151 CA LYS A 76 1.376 9.442 -6.912 1.00 0.00 C ATOM 1152 C LYS A 76 1.897 9.109 -5.521 1.00 0.00 C ATOM 1153 O LYS A 76 1.149 8.557 -4.721 1.00 0.00 O ATOM 1154 CB LYS A 76 0.844 10.877 -6.930 1.00 0.00 C ATOM 1155 CG LYS A 76 0.361 11.253 -8.331 1.00 0.00 C ATOM 1156 CD LYS A 76 1.486 11.819 -9.189 1.00 0.00 C ATOM 1157 CE LYS A 76 1.388 11.414 -10.665 1.00 0.00 C ATOM 1158 NZ LYS A 76 0.133 11.863 -11.300 1.00 0.00 N ATOM 0 H LYS A 76 -0.620 8.879 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 76 2.163 9.375 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.025 10.976 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.627 11.565 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.059 10.373 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.441 11.988 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.476 12.907 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.443 11.482 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.235 11.833 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.462 10.329 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.121 11.562 -12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.678 11.444 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.071 12.900 -11.251 1.00 0.00 H new ATOM 1172 N PRO A 77 3.140 9.461 -5.200 1.00 0.00 N ATOM 1173 CA PRO A 77 3.706 9.231 -3.887 1.00 0.00 C ATOM 1174 C PRO A 77 2.884 9.883 -2.770 1.00 0.00 C ATOM 1175 O PRO A 77 2.213 10.903 -2.975 1.00 0.00 O ATOM 1176 CB PRO A 77 5.131 9.779 -3.955 1.00 0.00 C ATOM 1177 CG PRO A 77 5.449 9.924 -5.445 1.00 0.00 C ATOM 1178 CD PRO A 77 4.091 9.998 -6.142 1.00 0.00 C ATOM 0 HA PRO A 77 3.700 8.170 -3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.206 10.739 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.834 9.103 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.038 10.821 -5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.031 9.077 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.842 11.026 -6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.094 9.422 -7.067 1.00 0.00 H new ATOM 1186 N ILE A 78 3.039 9.335 -1.565 1.00 0.00 N ATOM 1187 CA ILE A 78 2.828 10.055 -0.316 1.00 0.00 C ATOM 1188 C ILE A 78 4.220 10.431 0.184 1.00 0.00 C ATOM 1189 O ILE A 78 5.177 9.715 -0.131 1.00 0.00 O ATOM 1190 CB ILE A 78 2.095 9.191 0.742 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.798 7.851 1.060 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.663 8.902 0.289 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.302 7.142 2.325 1.00 0.00 C ATOM 0 H ILE A 78 3.319 8.363 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 78 2.195 10.927 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 78 2.105 9.781 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.668 7.180 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.868 8.034 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.159 8.294 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.125 9.841 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.683 8.364 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.855 6.213 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.458 7.788 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.240 6.920 2.225 1.00 0.00 H new