USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 57 ASN : amide:sc= 0.565 K(o=0.74,f=-1.4) USER MOD Set 1.2: A 104 ASN : amide:sc= 0.176 K(o=0.74,f=-2.8!) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.0418 K(o=1.5,f=-5.5!) USER MOD Set 2.2: A 37 SER OG : rot 83:sc= 0.189 USER MOD Set 2.3: A 93 ASN : amide:sc= 1.32 K(o=1.5,f=-1.4) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 120:sc= -2.9! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.551 K(o=0.55,f=-3.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 28 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0014) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 41 THR OG1 : rot 176:sc= -0.829 USER MOD Single : A 42 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.15 USER MOD Single : A 48 SER OG : rot 53:sc= 0.143 USER MOD Single : A 60 SER OG : rot 56:sc= -0.0824 USER MOD Single : A 62 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 65 SER OG : rot 83:sc= 0.117 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= 0.885 (180deg=-0.355!) USER MOD Single : A 71 SER OG : rot 132:sc= 1.42 USER MOD Single : A 75 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.7) USER MOD Single : A 84 HIS : no HE2:sc= 0.0665 X(o=0.067,f=-0.33) USER MOD Single : A 85 THR OG1 : rot 106:sc= 1.29 USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= 1.15 (180deg=0.266) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.148 USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 12 9.642 2.562 3.776 1.00 0.00 N ATOM 157 CA LEU A 12 9.528 1.603 2.696 1.00 0.00 C ATOM 158 C LEU A 12 10.439 2.002 1.544 1.00 0.00 C ATOM 159 O LEU A 12 10.057 2.790 0.675 1.00 0.00 O ATOM 160 CB LEU A 12 8.072 1.456 2.222 1.00 0.00 C ATOM 161 CG LEU A 12 7.242 2.741 2.201 1.00 0.00 C ATOM 162 CD1 LEU A 12 6.272 2.725 1.027 1.00 0.00 C ATOM 163 CD2 LEU A 12 6.495 2.923 3.517 1.00 0.00 C ATOM 0 HA LEU A 12 9.844 0.630 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.079 1.034 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.572 0.734 2.867 1.00 0.00 H new ATOM 0 HG LEU A 12 7.918 3.587 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.688 3.645 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.831 2.648 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.602 1.870 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.911 3.843 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.828 2.076 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.211 2.980 4.337 1.00 0.00 H new ATOM 175 N ALA A 13 11.669 1.491 1.591 1.00 0.00 N ATOM 176 CA ALA A 13 12.664 1.724 0.545 1.00 0.00 C ATOM 177 C ALA A 13 12.965 3.212 0.415 1.00 0.00 C ATOM 178 O ALA A 13 12.732 3.815 -0.633 1.00 0.00 O ATOM 179 CB ALA A 13 12.202 1.144 -0.791 1.00 0.00 C ATOM 0 H ALA A 13 12.003 0.904 2.355 1.00 0.00 H new ATOM 0 HA ALA A 13 13.583 1.212 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.961 1.331 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.049 0.070 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.266 1.617 -1.089 1.00 0.00 H new ATOM 185 N THR A 14 13.455 3.790 1.510 1.00 0.00 N ATOM 186 CA THR A 14 13.765 5.217 1.590 1.00 0.00 C ATOM 187 C THR A 14 12.496 6.056 1.752 1.00 0.00 C ATOM 188 O THR A 14 12.426 6.902 2.641 1.00 0.00 O ATOM 189 CB THR A 14 14.582 5.701 0.367 1.00 0.00 C ATOM 190 OG1 THR A 14 15.805 4.955 0.291 1.00 0.00 O ATOM 191 CG2 THR A 14 14.905 7.187 0.459 1.00 0.00 C ATOM 0 H THR A 14 13.649 3.279 2.371 1.00 0.00 H new ATOM 0 HA THR A 14 14.382 5.355 2.478 1.00 0.00 H new ATOM 0 HB THR A 14 13.980 5.541 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.325 5.257 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 15.479 7.489 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.978 7.759 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.489 7.377 1.359 1.00 0.00 H new ATOM 199 N SER A 15 11.492 5.798 0.908 1.00 0.00 N ATOM 200 CA SER A 15 10.217 6.515 0.966 1.00 0.00 C ATOM 201 C SER A 15 10.426 8.022 0.822 1.00 0.00 C ATOM 202 O SER A 15 9.784 8.808 1.516 1.00 0.00 O ATOM 203 CB SER A 15 9.508 6.225 2.289 1.00 0.00 C ATOM 204 OG SER A 15 9.365 4.837 2.488 1.00 0.00 O ATOM 0 H SER A 15 11.540 5.093 0.172 1.00 0.00 H new ATOM 0 HA SER A 15 9.601 6.167 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.075 6.658 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.527 6.700 2.293 1.00 0.00 H new ATOM 0 HG SER A 15 9.830 4.575 3.310 1.00 0.00 H new ATOM 210 N ALA A 16 11.319 8.418 -0.084 1.00 0.00 N ATOM 211 CA ALA A 16 11.702 9.822 -0.223 1.00 0.00 C ATOM 212 C ALA A 16 10.487 10.707 -0.455 1.00 0.00 C ATOM 213 O ALA A 16 10.293 11.702 0.238 1.00 0.00 O ATOM 214 CB ALA A 16 12.717 9.995 -1.343 1.00 0.00 C ATOM 0 H ALA A 16 11.790 7.787 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 16 12.166 10.134 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.988 11.047 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.608 9.408 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.283 9.654 -2.283 1.00 0.00 H new ATOM 220 N ALA A 17 9.654 10.329 -1.409 1.00 0.00 N ATOM 221 CA ALA A 17 8.458 11.099 -1.693 1.00 0.00 C ATOM 222 C ALA A 17 7.260 10.551 -0.922 1.00 0.00 C ATOM 223 O ALA A 17 6.266 11.250 -0.730 1.00 0.00 O ATOM 224 CB ALA A 17 8.176 11.124 -3.182 1.00 0.00 C ATOM 0 H ALA A 17 9.782 9.503 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 17 8.630 12.123 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.275 11.707 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.018 11.578 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.032 10.105 -3.542 1.00 0.00 H new ATOM 230 N PHE A 18 7.364 9.305 -0.464 1.00 0.00 N ATOM 231 CA PHE A 18 6.297 8.701 0.328 1.00 0.00 C ATOM 232 C PHE A 18 6.230 9.355 1.699 1.00 0.00 C ATOM 233 O PHE A 18 5.188 9.359 2.346 1.00 0.00 O ATOM 234 CB PHE A 18 6.507 7.190 0.473 1.00 0.00 C ATOM 235 CG PHE A 18 5.251 6.453 0.858 1.00 0.00 C ATOM 236 CD1 PHE A 18 4.222 6.299 -0.055 1.00 0.00 C ATOM 237 CD2 PHE A 18 5.095 5.924 2.133 1.00 0.00 C ATOM 238 CE1 PHE A 18 3.063 5.632 0.290 1.00 0.00 C ATOM 239 CE2 PHE A 18 3.931 5.255 2.484 1.00 0.00 C ATOM 240 CZ PHE A 18 2.917 5.110 1.560 1.00 0.00 C ATOM 0 H PHE A 18 8.169 8.700 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 18 5.353 8.864 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.882 6.789 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.274 7.006 1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.327 6.706 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.888 6.035 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.270 5.519 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.819 4.849 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.010 4.589 1.830 1.00 0.00 H new ATOM 250 N ALA A 19 7.349 9.917 2.129 1.00 0.00 N ATOM 251 CA ALA A 19 7.412 10.648 3.385 1.00 0.00 C ATOM 252 C ALA A 19 6.541 11.896 3.326 1.00 0.00 C ATOM 253 O ALA A 19 5.881 12.251 4.301 1.00 0.00 O ATOM 254 CB ALA A 19 8.853 11.007 3.700 1.00 0.00 C ATOM 0 H ALA A 19 8.233 9.880 1.622 1.00 0.00 H new ATOM 0 HA ALA A 19 7.028 10.012 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.894 11.554 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.445 10.096 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.256 11.629 2.901 1.00 0.00 H new ATOM 260 N LYS A 20 6.516 12.540 2.166 1.00 0.00 N ATOM 261 CA LYS A 20 5.681 13.711 1.954 1.00 0.00 C ATOM 262 C LYS A 20 4.221 13.288 1.918 1.00 0.00 C ATOM 263 O LYS A 20 3.329 14.015 2.357 1.00 0.00 O ATOM 264 CB LYS A 20 6.061 14.397 0.640 1.00 0.00 C ATOM 265 CG LYS A 20 6.005 15.914 0.697 1.00 0.00 C ATOM 266 CD LYS A 20 6.433 16.527 -0.625 1.00 0.00 C ATOM 267 CE LYS A 20 5.330 17.381 -1.232 1.00 0.00 C ATOM 268 NZ LYS A 20 5.617 18.835 -1.107 1.00 0.00 N ATOM 0 H LYS A 20 7.069 12.267 1.354 1.00 0.00 H new ATOM 0 HA LYS A 20 5.834 14.416 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.069 14.091 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.392 14.048 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.992 16.235 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.653 16.275 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.323 17.137 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.705 15.735 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.211 17.124 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.384 17.155 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.841 19.380 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.705 19.086 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.506 19.057 -1.599 1.00 0.00 H new ATOM 282 N GLN A 21 4.001 12.092 1.398 1.00 0.00 N ATOM 283 CA GLN A 21 2.678 11.492 1.346 1.00 0.00 C ATOM 284 C GLN A 21 2.199 11.132 2.751 1.00 0.00 C ATOM 285 O GLN A 21 1.029 11.314 3.093 1.00 0.00 O ATOM 286 CB GLN A 21 2.730 10.233 0.477 1.00 0.00 C ATOM 287 CG GLN A 21 1.622 10.154 -0.561 1.00 0.00 C ATOM 288 CD GLN A 21 1.353 8.732 -1.015 1.00 0.00 C ATOM 289 OE1 GLN A 21 1.962 8.244 -1.968 1.00 0.00 O ATOM 290 NE2 GLN A 21 0.439 8.055 -0.335 1.00 0.00 N ATOM 0 H GLN A 21 4.736 11.508 0.999 1.00 0.00 H new ATOM 0 HA GLN A 21 1.978 12.208 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.694 10.194 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.674 9.356 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.708 10.579 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.893 10.763 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.043 8.495 0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.218 7.094 -0.595 1.00 0.00 H new ATOM 299 N ALA A 22 3.130 10.641 3.564 1.00 0.00 N ATOM 300 CA ALA A 22 2.838 10.209 4.925 1.00 0.00 C ATOM 301 C ALA A 22 2.505 11.387 5.832 1.00 0.00 C ATOM 302 O ALA A 22 1.960 11.207 6.923 1.00 0.00 O ATOM 303 CB ALA A 22 4.023 9.438 5.489 1.00 0.00 C ATOM 0 H ALA A 22 4.108 10.532 3.297 1.00 0.00 H new ATOM 0 HA ALA A 22 1.963 9.561 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.798 9.118 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.217 8.563 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.904 10.080 5.497 1.00 0.00 H new ATOM 309 N GLU A 23 2.841 12.586 5.383 1.00 0.00 N ATOM 310 CA GLU A 23 2.570 13.788 6.156 1.00 0.00 C ATOM 311 C GLU A 23 1.345 14.518 5.612 1.00 0.00 C ATOM 312 O GLU A 23 0.957 15.568 6.129 1.00 0.00 O ATOM 313 CB GLU A 23 3.787 14.713 6.151 1.00 0.00 C ATOM 314 CG GLU A 23 4.792 14.370 7.236 1.00 0.00 C ATOM 315 CD GLU A 23 5.743 15.508 7.544 1.00 0.00 C ATOM 316 OE1 GLU A 23 5.297 16.675 7.555 1.00 0.00 O ATOM 317 OE2 GLU A 23 6.939 15.234 7.787 1.00 0.00 O ATOM 0 H GLU A 23 3.301 12.753 4.488 1.00 0.00 H new ATOM 0 HA GLU A 23 2.363 13.491 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.276 14.657 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.455 15.743 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.257 14.095 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.367 13.497 6.928 1.00 0.00 H new ATOM 324 N GLY A 24 0.734 13.953 4.573 1.00 0.00 N ATOM 325 CA GLY A 24 -0.463 14.545 3.998 1.00 0.00 C ATOM 326 C GLY A 24 -1.667 14.380 4.903 1.00 0.00 C ATOM 327 O GLY A 24 -2.559 15.227 4.936 1.00 0.00 O ATOM 0 H GLY A 24 1.047 13.095 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.291 15.605 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.669 14.083 3.033 1.00 0.00 H new ATOM 331 N THR A 25 -1.689 13.277 5.631 1.00 0.00 N ATOM 332 CA THR A 25 -2.742 12.993 6.595 1.00 0.00 C ATOM 333 C THR A 25 -2.157 12.210 7.763 1.00 0.00 C ATOM 334 O THR A 25 -1.092 11.604 7.629 1.00 0.00 O ATOM 335 CB THR A 25 -3.904 12.196 5.958 1.00 0.00 C ATOM 336 OG1 THR A 25 -3.759 12.171 4.533 1.00 0.00 O ATOM 337 CG2 THR A 25 -5.246 12.817 6.313 1.00 0.00 C ATOM 0 H THR A 25 -0.976 12.550 5.571 1.00 0.00 H new ATOM 0 HA THR A 25 -3.147 13.943 6.945 1.00 0.00 H new ATOM 0 HB THR A 25 -3.871 11.179 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.498 11.663 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.047 12.239 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.372 12.816 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.281 13.842 5.945 1.00 0.00 H new ATOM 345 N THR A 26 -2.827 12.231 8.907 1.00 0.00 N ATOM 346 CA THR A 26 -2.306 11.575 10.095 1.00 0.00 C ATOM 347 C THR A 26 -2.397 10.054 9.983 1.00 0.00 C ATOM 348 O THR A 26 -3.420 9.451 10.305 1.00 0.00 O ATOM 349 CB THR A 26 -3.066 12.052 11.344 1.00 0.00 C ATOM 350 OG1 THR A 26 -3.827 13.228 11.016 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.100 12.352 12.484 1.00 0.00 C ATOM 0 H THR A 26 -3.727 12.693 9.036 1.00 0.00 H new ATOM 0 HA THR A 26 -1.254 11.845 10.185 1.00 0.00 H new ATOM 0 HB THR A 26 -3.739 11.260 11.672 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.314 13.534 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.660 12.688 13.357 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.543 11.450 12.736 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.405 13.134 12.176 1.00 0.00 H new ATOM 359 N CYS A 27 -1.302 9.445 9.550 1.00 0.00 N ATOM 360 CA CYS A 27 -1.192 7.995 9.457 1.00 0.00 C ATOM 361 C CYS A 27 0.254 7.587 9.709 1.00 0.00 C ATOM 362 O CYS A 27 1.173 8.360 9.428 1.00 0.00 O ATOM 363 CB CYS A 27 -1.642 7.500 8.074 1.00 0.00 C ATOM 364 SG CYS A 27 -3.418 7.740 7.708 1.00 0.00 S ATOM 0 H CYS A 27 -0.463 9.943 9.253 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.841 7.542 10.207 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.057 8.015 7.312 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.410 6.438 7.991 1.00 0.00 H new ATOM 369 N ASN A 28 0.460 6.397 10.251 1.00 0.00 N ATOM 370 CA ASN A 28 1.808 5.913 10.532 1.00 0.00 C ATOM 371 C ASN A 28 1.840 4.396 10.438 1.00 0.00 C ATOM 372 O ASN A 28 0.920 3.792 9.891 1.00 0.00 O ATOM 373 CB ASN A 28 2.271 6.375 11.920 1.00 0.00 C ATOM 374 CG ASN A 28 3.498 7.267 11.860 1.00 0.00 C ATOM 375 OD1 ASN A 28 4.516 6.989 12.490 1.00 0.00 O ATOM 376 ND2 ASN A 28 3.405 8.345 11.097 1.00 0.00 N ATOM 0 H ASN A 28 -0.285 5.748 10.505 1.00 0.00 H new ATOM 0 HA ASN A 28 2.492 6.329 9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.459 6.913 12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.491 5.502 12.535 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.197 8.982 11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.541 8.538 10.591 1.00 0.00 H new ATOM 383 N VAL A 29 2.896 3.784 10.959 1.00 0.00 N ATOM 384 CA VAL A 29 3.020 2.330 10.934 1.00 0.00 C ATOM 385 C VAL A 29 1.823 1.680 11.620 1.00 0.00 C ATOM 386 O VAL A 29 1.463 2.034 12.745 1.00 0.00 O ATOM 387 CB VAL A 29 4.335 1.851 11.596 1.00 0.00 C ATOM 388 CG1 VAL A 29 4.577 2.571 12.916 1.00 0.00 C ATOM 389 CG2 VAL A 29 4.315 0.341 11.803 1.00 0.00 C ATOM 0 H VAL A 29 3.676 4.268 11.402 1.00 0.00 H new ATOM 0 HA VAL A 29 3.044 2.025 9.888 1.00 0.00 H new ATOM 0 HB VAL A 29 5.158 2.095 10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.507 2.215 13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.647 3.644 12.738 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.750 2.370 13.597 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.248 0.025 12.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.478 0.073 12.448 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.204 -0.157 10.840 1.00 0.00 H new ATOM 399 N GLY A 30 1.193 0.754 10.917 1.00 0.00 N ATOM 400 CA GLY A 30 0.025 0.088 11.446 1.00 0.00 C ATOM 401 C GLY A 30 -1.251 0.558 10.781 1.00 0.00 C ATOM 402 O GLY A 30 -2.210 -0.204 10.661 1.00 0.00 O ATOM 0 H GLY A 30 1.472 0.451 9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.129 -0.988 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.039 0.268 12.519 1.00 0.00 H new ATOM 406 N SER A 31 -1.268 1.812 10.348 1.00 0.00 N ATOM 407 CA SER A 31 -2.452 2.368 9.715 1.00 0.00 C ATOM 408 C SER A 31 -2.157 2.925 8.321 1.00 0.00 C ATOM 409 O SER A 31 -3.074 3.237 7.568 1.00 0.00 O ATOM 410 CB SER A 31 -3.050 3.463 10.595 1.00 0.00 C ATOM 411 OG SER A 31 -2.048 4.349 11.074 1.00 0.00 O ATOM 0 H SER A 31 -0.481 2.457 10.423 1.00 0.00 H new ATOM 0 HA SER A 31 -3.169 1.555 9.598 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.792 4.024 10.027 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.571 3.010 11.439 1.00 0.00 H new ATOM 0 HG SER A 31 -2.462 5.040 11.633 1.00 0.00 H new ATOM 417 N ILE A 32 -0.890 3.046 7.968 1.00 0.00 N ATOM 418 CA ILE A 32 -0.532 3.619 6.679 1.00 0.00 C ATOM 419 C ILE A 32 -0.606 2.560 5.575 1.00 0.00 C ATOM 420 O ILE A 32 -0.038 1.470 5.690 1.00 0.00 O ATOM 421 CB ILE A 32 0.862 4.305 6.720 1.00 0.00 C ATOM 422 CG1 ILE A 32 0.942 5.402 5.658 1.00 0.00 C ATOM 423 CG2 ILE A 32 2.000 3.307 6.552 1.00 0.00 C ATOM 424 CD1 ILE A 32 1.853 6.547 6.050 1.00 0.00 C ATOM 0 H ILE A 32 -0.099 2.760 8.546 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.260 4.397 6.448 1.00 0.00 H new ATOM 0 HB ILE A 32 0.977 4.755 7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.296 4.968 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.059 5.791 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.954 3.833 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.961 2.572 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.901 2.800 5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.865 7.291 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.487 7.005 6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.863 6.170 6.210 1.00 0.00 H new ATOM 436 N ALA A 33 -1.366 2.865 4.530 1.00 0.00 N ATOM 437 CA ALA A 33 -1.535 1.948 3.416 1.00 0.00 C ATOM 438 C ALA A 33 -1.788 2.703 2.120 1.00 0.00 C ATOM 439 O ALA A 33 -1.857 3.933 2.104 1.00 0.00 O ATOM 440 CB ALA A 33 -2.681 0.990 3.696 1.00 0.00 C ATOM 0 H ALA A 33 -1.875 3.744 4.433 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.613 1.378 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.799 0.307 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.465 0.419 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.602 1.556 3.836 1.00 0.00 H new ATOM 446 N CYS A 34 -1.920 1.958 1.039 1.00 0.00 N ATOM 447 CA CYS A 34 -2.299 2.522 -0.240 1.00 0.00 C ATOM 448 C CYS A 34 -3.515 1.780 -0.774 1.00 0.00 C ATOM 449 O CYS A 34 -3.590 0.556 -0.663 1.00 0.00 O ATOM 450 CB CYS A 34 -1.135 2.441 -1.229 1.00 0.00 C ATOM 451 SG CYS A 34 0.064 3.799 -1.057 1.00 0.00 S ATOM 0 H CYS A 34 -1.768 0.949 1.024 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.552 3.574 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.618 1.491 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.531 2.444 -2.244 1.00 0.00 H new ATOM 456 N CYS A 35 -4.473 2.509 -1.329 1.00 0.00 N ATOM 457 CA CYS A 35 -5.712 1.902 -1.802 1.00 0.00 C ATOM 458 C CYS A 35 -5.815 1.993 -3.322 1.00 0.00 C ATOM 459 O CYS A 35 -5.190 2.854 -3.946 1.00 0.00 O ATOM 460 CB CYS A 35 -6.912 2.576 -1.145 1.00 0.00 C ATOM 461 SG CYS A 35 -7.586 1.656 0.277 1.00 0.00 S ATOM 0 H CYS A 35 -4.418 3.519 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.706 0.848 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.621 3.573 -0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.698 2.703 -1.889 1.00 0.00 H new ATOM 466 N ASN A 36 -6.589 1.095 -3.919 1.00 0.00 N ATOM 467 CA ASN A 36 -6.714 1.043 -5.371 1.00 0.00 C ATOM 468 C ASN A 36 -8.141 0.728 -5.791 1.00 0.00 C ATOM 469 O ASN A 36 -8.934 0.205 -5.003 1.00 0.00 O ATOM 470 CB ASN A 36 -5.766 -0.009 -5.954 1.00 0.00 C ATOM 471 CG ASN A 36 -5.370 0.297 -7.383 1.00 0.00 C ATOM 472 OD1 ASN A 36 -5.763 1.320 -7.937 1.00 0.00 O ATOM 473 ND2 ASN A 36 -4.587 -0.584 -7.990 1.00 0.00 N ATOM 0 H ASN A 36 -7.139 0.394 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.446 2.026 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.870 -0.068 -5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.245 -0.987 -5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.289 -0.424 -8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.282 -1.422 -7.495 1.00 0.00 H new ATOM 480 N SER A 37 -8.459 1.068 -7.029 1.00 0.00 N ATOM 481 CA SER A 37 -9.746 0.757 -7.615 1.00 0.00 C ATOM 482 C SER A 37 -9.892 -0.751 -7.782 1.00 0.00 C ATOM 483 O SER A 37 -8.949 -1.424 -8.200 1.00 0.00 O ATOM 484 CB SER A 37 -9.852 1.460 -8.966 1.00 0.00 C ATOM 485 OG SER A 37 -8.699 2.255 -9.203 1.00 0.00 O ATOM 0 H SER A 37 -7.828 1.569 -7.655 1.00 0.00 H new ATOM 0 HA SER A 37 -10.547 1.105 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.961 0.721 -9.760 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.744 2.086 -8.988 1.00 0.00 H new ATOM 0 HG SER A 37 -7.981 1.692 -9.560 1.00 0.00 H new ATOM 491 N PRO A 38 -11.082 -1.302 -7.478 1.00 0.00 N ATOM 492 CA PRO A 38 -11.321 -2.755 -7.495 1.00 0.00 C ATOM 493 C PRO A 38 -10.964 -3.398 -8.834 1.00 0.00 C ATOM 494 O PRO A 38 -10.467 -4.519 -8.874 1.00 0.00 O ATOM 495 CB PRO A 38 -12.828 -2.889 -7.225 1.00 0.00 C ATOM 496 CG PRO A 38 -13.394 -1.527 -7.445 1.00 0.00 C ATOM 497 CD PRO A 38 -12.295 -0.563 -7.104 1.00 0.00 C ATOM 0 HA PRO A 38 -10.698 -3.265 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.284 -3.617 -7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.016 -3.232 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.717 -1.401 -8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.268 -1.361 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.388 0.369 -7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.300 -0.303 -6.045 1.00 0.00 H new ATOM 505 N ALA A 39 -11.186 -2.669 -9.925 1.00 0.00 N ATOM 506 CA ALA A 39 -10.916 -3.183 -11.267 1.00 0.00 C ATOM 507 C ALA A 39 -9.416 -3.350 -11.515 1.00 0.00 C ATOM 508 O ALA A 39 -8.997 -3.913 -12.532 1.00 0.00 O ATOM 509 CB ALA A 39 -11.522 -2.261 -12.315 1.00 0.00 C ATOM 0 H ALA A 39 -11.553 -1.718 -9.907 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.378 -4.167 -11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.314 -2.655 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.600 -2.201 -12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.086 -1.266 -12.220 1.00 0.00 H new ATOM 515 N GLU A 40 -8.620 -2.857 -10.580 1.00 0.00 N ATOM 516 CA GLU A 40 -7.171 -2.966 -10.654 1.00 0.00 C ATOM 517 C GLU A 40 -6.691 -3.971 -9.615 1.00 0.00 C ATOM 518 O GLU A 40 -5.950 -4.906 -9.920 1.00 0.00 O ATOM 519 CB GLU A 40 -6.523 -1.602 -10.390 1.00 0.00 C ATOM 520 CG GLU A 40 -6.162 -0.818 -11.643 1.00 0.00 C ATOM 521 CD GLU A 40 -5.238 0.355 -11.351 1.00 0.00 C ATOM 522 OE1 GLU A 40 -4.236 0.165 -10.632 1.00 0.00 O ATOM 523 OE2 GLU A 40 -5.523 1.475 -11.831 1.00 0.00 O ATOM 0 H GLU A 40 -8.959 -2.371 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.887 -3.302 -11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.204 -1.002 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.620 -1.752 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.682 -1.485 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.074 -0.450 -12.112 1.00 0.00 H new ATOM 530 N THR A 41 -7.158 -3.775 -8.387 1.00 0.00 N ATOM 531 CA THR A 41 -6.804 -4.629 -7.262 1.00 0.00 C ATOM 532 C THR A 41 -7.253 -6.072 -7.486 1.00 0.00 C ATOM 533 O THR A 41 -6.581 -7.022 -7.090 1.00 0.00 O ATOM 534 CB THR A 41 -7.474 -4.095 -5.983 1.00 0.00 C ATOM 535 OG1 THR A 41 -7.712 -2.688 -6.110 1.00 0.00 O ATOM 536 CG2 THR A 41 -6.619 -4.350 -4.763 1.00 0.00 C ATOM 0 H THR A 41 -7.795 -3.016 -8.144 1.00 0.00 H new ATOM 0 HA THR A 41 -5.719 -4.617 -7.163 1.00 0.00 H new ATOM 0 HB THR A 41 -8.419 -4.623 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.204 -2.367 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.122 -3.960 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.460 -5.422 -4.648 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.657 -3.852 -4.882 1.00 0.00 H new ATOM 544 N ASN A 42 -8.392 -6.221 -8.142 1.00 0.00 N ATOM 545 CA ASN A 42 -9.035 -7.518 -8.284 1.00 0.00 C ATOM 546 C ASN A 42 -8.841 -8.090 -9.678 1.00 0.00 C ATOM 547 O ASN A 42 -9.545 -9.015 -10.087 1.00 0.00 O ATOM 548 CB ASN A 42 -10.521 -7.387 -7.994 1.00 0.00 C ATOM 549 CG ASN A 42 -10.873 -7.722 -6.560 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.614 -8.666 -6.291 1.00 0.00 O ATOM 551 ND2 ASN A 42 -10.354 -6.942 -5.626 1.00 0.00 N ATOM 0 H ASN A 42 -8.894 -5.453 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.572 -8.200 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.840 -6.368 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.076 -8.045 -8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.564 -7.114 -4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.743 -6.168 -5.889 1.00 0.00 H new ATOM 558 N ASN A 43 -7.895 -7.520 -10.409 1.00 0.00 N ATOM 559 CA ASN A 43 -7.629 -7.931 -11.786 1.00 0.00 C ATOM 560 C ASN A 43 -7.258 -9.412 -11.859 1.00 0.00 C ATOM 561 O ASN A 43 -7.511 -10.075 -12.863 1.00 0.00 O ATOM 562 CB ASN A 43 -6.508 -7.078 -12.385 1.00 0.00 C ATOM 563 CG ASN A 43 -6.530 -7.071 -13.902 1.00 0.00 C ATOM 564 OD1 ASN A 43 -5.913 -7.919 -14.551 1.00 0.00 O ATOM 565 ND2 ASN A 43 -7.234 -6.108 -14.478 1.00 0.00 N ATOM 0 H ASN A 43 -7.294 -6.768 -10.073 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.541 -7.781 -12.364 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.599 -6.055 -12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.545 -7.455 -12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.280 -6.049 -15.495 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.730 -5.426 -13.904 1.00 0.00 H new ATOM 572 N ASP A 44 -6.677 -9.929 -10.788 1.00 0.00 N ATOM 573 CA ASP A 44 -6.280 -11.329 -10.739 1.00 0.00 C ATOM 574 C ASP A 44 -6.950 -12.024 -9.563 1.00 0.00 C ATOM 575 O ASP A 44 -7.165 -11.412 -8.517 1.00 0.00 O ATOM 576 CB ASP A 44 -4.762 -11.448 -10.618 1.00 0.00 C ATOM 577 CG ASP A 44 -4.274 -12.861 -10.841 1.00 0.00 C ATOM 578 OD1 ASP A 44 -4.215 -13.633 -9.865 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.963 -13.212 -11.996 1.00 0.00 O ATOM 0 H ASP A 44 -6.469 -9.401 -9.940 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.597 -11.811 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.290 -10.785 -11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.452 -11.112 -9.629 1.00 0.00 H new ATOM 584 N SER A 45 -7.275 -13.300 -9.744 1.00 0.00 N ATOM 585 CA SER A 45 -7.951 -14.084 -8.718 1.00 0.00 C ATOM 586 C SER A 45 -7.029 -14.389 -7.536 1.00 0.00 C ATOM 587 O SER A 45 -7.497 -14.672 -6.432 1.00 0.00 O ATOM 588 CB SER A 45 -8.472 -15.382 -9.334 1.00 0.00 C ATOM 589 OG SER A 45 -8.185 -15.437 -10.724 1.00 0.00 O ATOM 0 H SER A 45 -7.078 -13.817 -10.601 1.00 0.00 H new ATOM 0 HA SER A 45 -8.785 -13.497 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.017 -16.235 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.548 -15.456 -9.178 1.00 0.00 H new ATOM 0 HG SER A 45 -8.526 -16.277 -11.096 1.00 0.00 H new ATOM 595 N LEU A 46 -5.724 -14.341 -7.765 1.00 0.00 N ATOM 596 CA LEU A 46 -4.765 -14.584 -6.703 1.00 0.00 C ATOM 597 C LEU A 46 -4.405 -13.279 -6.008 1.00 0.00 C ATOM 598 O LEU A 46 -4.061 -13.271 -4.825 1.00 0.00 O ATOM 599 CB LEU A 46 -3.505 -15.251 -7.255 1.00 0.00 C ATOM 600 CG LEU A 46 -2.731 -16.106 -6.251 1.00 0.00 C ATOM 601 CD1 LEU A 46 -3.536 -17.338 -5.865 1.00 0.00 C ATOM 602 CD2 LEU A 46 -1.384 -16.510 -6.825 1.00 0.00 C ATOM 0 H LEU A 46 -5.309 -14.137 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.222 -15.256 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.785 -15.877 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.840 -14.476 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.560 -15.512 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.969 -17.934 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.479 -17.030 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.738 -17.934 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.846 -17.118 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.535 -17.086 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.802 -15.616 -7.052 1.00 0.00 H new ATOM 614 N LEU A 47 -4.504 -12.175 -6.747 1.00 0.00 N ATOM 615 CA LEU A 47 -4.192 -10.854 -6.207 1.00 0.00 C ATOM 616 C LEU A 47 -5.072 -10.544 -5.008 1.00 0.00 C ATOM 617 O LEU A 47 -4.605 -10.016 -4.002 1.00 0.00 O ATOM 618 CB LEU A 47 -4.374 -9.767 -7.271 1.00 0.00 C ATOM 619 CG LEU A 47 -3.266 -9.706 -8.326 1.00 0.00 C ATOM 620 CD1 LEU A 47 -3.439 -8.473 -9.200 1.00 0.00 C ATOM 621 CD2 LEU A 47 -1.890 -9.709 -7.672 1.00 0.00 C ATOM 0 H LEU A 47 -4.799 -12.170 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.148 -10.865 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.327 -9.928 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.436 -8.799 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.342 -10.594 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.645 -8.441 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.406 -8.515 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.390 -7.578 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.121 -9.665 -8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.797 -8.843 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.767 -10.621 -7.088 1.00 0.00 H new ATOM 633 N SER A 48 -6.339 -10.916 -5.116 1.00 0.00 N ATOM 634 CA SER A 48 -7.316 -10.654 -4.074 1.00 0.00 C ATOM 635 C SER A 48 -6.972 -11.419 -2.790 1.00 0.00 C ATOM 636 O SER A 48 -7.361 -11.016 -1.692 1.00 0.00 O ATOM 637 CB SER A 48 -8.703 -11.038 -4.585 1.00 0.00 C ATOM 638 OG SER A 48 -8.604 -12.016 -5.612 1.00 0.00 O ATOM 0 H SER A 48 -6.716 -11.407 -5.927 1.00 0.00 H new ATOM 0 HA SER A 48 -7.303 -9.592 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.305 -11.425 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.214 -10.154 -4.965 1.00 0.00 H new ATOM 0 HG SER A 48 -8.070 -12.773 -5.292 1.00 0.00 H new ATOM 644 N GLY A 49 -6.233 -12.517 -2.936 1.00 0.00 N ATOM 645 CA GLY A 49 -5.795 -13.284 -1.784 1.00 0.00 C ATOM 646 C GLY A 49 -4.441 -12.831 -1.287 1.00 0.00 C ATOM 647 O GLY A 49 -4.056 -13.117 -0.156 1.00 0.00 O ATOM 0 H GLY A 49 -5.929 -12.889 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.527 -13.186 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.750 -14.341 -2.047 1.00 0.00 H new ATOM 651 N LEU A 50 -3.718 -12.119 -2.138 1.00 0.00 N ATOM 652 CA LEU A 50 -2.415 -11.578 -1.775 1.00 0.00 C ATOM 653 C LEU A 50 -2.588 -10.293 -0.977 1.00 0.00 C ATOM 654 O LEU A 50 -1.671 -9.838 -0.298 1.00 0.00 O ATOM 655 CB LEU A 50 -1.582 -11.305 -3.030 1.00 0.00 C ATOM 656 CG LEU A 50 -0.383 -12.236 -3.223 1.00 0.00 C ATOM 657 CD1 LEU A 50 -0.724 -13.358 -4.190 1.00 0.00 C ATOM 658 CD2 LEU A 50 0.824 -11.454 -3.716 1.00 0.00 C ATOM 0 H LEU A 50 -4.013 -11.901 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.892 -12.311 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.230 -11.385 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.223 -10.277 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.136 -12.680 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.142 -14.008 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.559 -13.937 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.000 -12.935 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.668 -12.132 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.586 -10.981 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.085 -10.688 -2.985 1.00 0.00 H new ATOM 670 N LEU A 51 -3.777 -9.716 -1.080 1.00 0.00 N ATOM 671 CA LEU A 51 -4.128 -8.519 -0.329 1.00 0.00 C ATOM 672 C LEU A 51 -4.210 -8.823 1.160 1.00 0.00 C ATOM 673 O LEU A 51 -3.730 -8.058 1.999 1.00 0.00 O ATOM 674 CB LEU A 51 -5.479 -7.974 -0.805 1.00 0.00 C ATOM 675 CG LEU A 51 -5.425 -6.810 -1.801 1.00 0.00 C ATOM 676 CD1 LEU A 51 -4.050 -6.164 -1.831 1.00 0.00 C ATOM 677 CD2 LEU A 51 -5.825 -7.283 -3.189 1.00 0.00 C ATOM 0 H LEU A 51 -4.523 -10.063 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.351 -7.774 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.036 -8.791 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.046 -7.652 0.069 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.136 -6.053 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.049 -5.343 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.806 -5.781 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.307 -6.904 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.782 -6.445 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.140 -8.064 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.840 -7.679 -3.160 1.00 0.00 H new ATOM 689 N GLY A 52 -4.826 -9.948 1.479 1.00 0.00 N ATOM 690 CA GLY A 52 -5.039 -10.307 2.859 1.00 0.00 C ATOM 691 C GLY A 52 -4.095 -11.385 3.338 1.00 0.00 C ATOM 692 O GLY A 52 -4.424 -12.570 3.292 1.00 0.00 O ATOM 0 H GLY A 52 -5.184 -10.621 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.918 -9.421 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.066 -10.648 2.986 1.00 0.00 H new ATOM 696 N ALA A 53 -2.921 -10.979 3.802 1.00 0.00 N ATOM 697 CA ALA A 53 -1.983 -11.916 4.400 1.00 0.00 C ATOM 698 C ALA A 53 -2.390 -12.195 5.843 1.00 0.00 C ATOM 699 O ALA A 53 -1.681 -11.845 6.790 1.00 0.00 O ATOM 700 CB ALA A 53 -0.559 -11.374 4.330 1.00 0.00 C ATOM 0 H ALA A 53 -2.598 -10.012 3.776 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.008 -12.851 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.126 -12.091 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.281 -11.215 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.503 -10.428 4.869 1.00 0.00 H new ATOM 706 N GLY A 54 -3.553 -12.807 5.996 1.00 0.00 N ATOM 707 CA GLY A 54 -4.116 -13.044 7.305 1.00 0.00 C ATOM 708 C GLY A 54 -5.570 -12.632 7.346 1.00 0.00 C ATOM 709 O GLY A 54 -6.376 -13.117 6.554 1.00 0.00 O ATOM 0 H GLY A 54 -4.124 -13.148 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.025 -14.100 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.554 -12.486 8.054 1.00 0.00 H new ATOM 713 N LEU A 55 -5.907 -11.712 8.236 1.00 0.00 N ATOM 714 CA LEU A 55 -7.274 -11.225 8.337 1.00 0.00 C ATOM 715 C LEU A 55 -7.374 -9.766 7.893 1.00 0.00 C ATOM 716 O LEU A 55 -7.981 -8.937 8.569 1.00 0.00 O ATOM 717 CB LEU A 55 -7.801 -11.381 9.767 1.00 0.00 C ATOM 718 CG LEU A 55 -8.903 -12.430 9.934 1.00 0.00 C ATOM 719 CD1 LEU A 55 -9.256 -12.609 11.400 1.00 0.00 C ATOM 720 CD2 LEU A 55 -10.134 -12.033 9.135 1.00 0.00 C ATOM 0 H LEU A 55 -5.255 -11.289 8.897 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.891 -11.827 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.968 -11.642 10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.182 -10.418 10.106 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.533 -13.382 9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.041 -13.359 11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.373 -12.935 11.950 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.607 -11.661 11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.910 -12.788 9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.503 -11.070 9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.873 -11.956 8.079 1.00 0.00 H new ATOM 732 N LEU A 56 -6.780 -9.458 6.751 1.00 0.00 N ATOM 733 CA LEU A 56 -6.841 -8.107 6.213 1.00 0.00 C ATOM 734 C LEU A 56 -8.121 -7.916 5.416 1.00 0.00 C ATOM 735 O LEU A 56 -8.584 -8.831 4.734 1.00 0.00 O ATOM 736 CB LEU A 56 -5.629 -7.814 5.330 1.00 0.00 C ATOM 737 CG LEU A 56 -4.922 -6.494 5.633 1.00 0.00 C ATOM 738 CD1 LEU A 56 -3.713 -6.733 6.516 1.00 0.00 C ATOM 739 CD2 LEU A 56 -4.517 -5.799 4.343 1.00 0.00 C ATOM 0 H LEU A 56 -6.253 -10.120 6.181 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.833 -7.409 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.912 -8.628 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.949 -7.808 4.288 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.614 -5.844 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.220 -5.783 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.032 -7.188 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.017 -7.400 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.015 -4.860 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.840 -6.442 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.405 -5.596 3.745 1.00 0.00 H new ATOM 751 N ASN A 57 -8.685 -6.725 5.506 1.00 0.00 N ATOM 752 CA ASN A 57 -9.951 -6.436 4.858 1.00 0.00 C ATOM 753 C ASN A 57 -9.783 -5.346 3.812 1.00 0.00 C ATOM 754 O ASN A 57 -8.673 -4.861 3.578 1.00 0.00 O ATOM 755 CB ASN A 57 -10.997 -6.028 5.889 1.00 0.00 C ATOM 756 CG ASN A 57 -12.034 -7.104 6.128 1.00 0.00 C ATOM 757 OD1 ASN A 57 -11.790 -8.291 5.906 1.00 0.00 O ATOM 758 ND2 ASN A 57 -13.202 -6.697 6.583 1.00 0.00 N ATOM 0 H ASN A 57 -8.285 -5.941 6.022 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.293 -7.342 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.500 -5.793 6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.495 -5.118 5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.943 -7.374 6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.365 -5.705 6.754 1.00 0.00 H new ATOM 765 N GLY A 58 -10.886 -4.963 3.189 1.00 0.00 N ATOM 766 CA GLY A 58 -10.825 -4.033 2.079 1.00 0.00 C ATOM 767 C GLY A 58 -11.318 -2.649 2.451 1.00 0.00 C ATOM 768 O GLY A 58 -11.080 -2.173 3.560 1.00 0.00 O ATOM 0 H GLY A 58 -11.825 -5.280 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.797 -3.965 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.424 -4.418 1.254 1.00 0.00 H new ATOM 772 N LEU A 59 -12.012 -2.007 1.518 1.00 0.00 N ATOM 773 CA LEU A 59 -12.547 -0.667 1.730 1.00 0.00 C ATOM 774 C LEU A 59 -13.640 -0.673 2.794 1.00 0.00 C ATOM 775 O LEU A 59 -14.291 -1.694 3.027 1.00 0.00 O ATOM 776 CB LEU A 59 -13.108 -0.113 0.415 1.00 0.00 C ATOM 777 CG LEU A 59 -12.526 1.229 -0.039 1.00 0.00 C ATOM 778 CD1 LEU A 59 -13.147 2.379 0.741 1.00 0.00 C ATOM 779 CD2 LEU A 59 -11.014 1.232 0.110 1.00 0.00 C ATOM 0 H LEU A 59 -12.219 -2.398 0.599 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.734 -0.029 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.936 -0.848 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.188 -0.004 0.518 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.767 1.367 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.719 3.322 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -14.225 2.390 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.943 2.250 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.618 2.193 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.751 1.068 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.587 0.437 -0.501 1.00 0.00 H new ATOM 791 N SER A 60 -13.824 0.472 3.443 1.00 0.00 N ATOM 792 CA SER A 60 -14.856 0.642 4.452 1.00 0.00 C ATOM 793 C SER A 60 -16.249 0.591 3.822 1.00 0.00 C ATOM 794 O SER A 60 -16.788 1.611 3.390 1.00 0.00 O ATOM 795 CB SER A 60 -14.636 1.975 5.176 1.00 0.00 C ATOM 796 OG SER A 60 -14.276 2.998 4.259 1.00 0.00 O ATOM 0 H SER A 60 -13.260 1.307 3.282 1.00 0.00 H new ATOM 0 HA SER A 60 -14.791 -0.174 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.545 2.260 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.853 1.861 5.925 1.00 0.00 H new ATOM 0 HG SER A 60 -14.965 3.073 3.566 1.00 0.00 H new ATOM 802 N GLY A 61 -16.806 -0.609 3.737 1.00 0.00 N ATOM 803 CA GLY A 61 -18.134 -0.784 3.182 1.00 0.00 C ATOM 804 C GLY A 61 -18.104 -1.279 1.748 1.00 0.00 C ATOM 805 O GLY A 61 -18.837 -2.203 1.388 1.00 0.00 O ATOM 0 H GLY A 61 -16.358 -1.472 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.690 -1.492 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.670 0.164 3.224 1.00 0.00 H new ATOM 809 N ASN A 62 -17.240 -0.676 0.936 1.00 0.00 N ATOM 810 CA ASN A 62 -17.145 -1.018 -0.480 1.00 0.00 C ATOM 811 C ASN A 62 -16.425 -2.342 -0.675 1.00 0.00 C ATOM 812 O ASN A 62 -15.229 -2.457 -0.413 1.00 0.00 O ATOM 813 CB ASN A 62 -16.412 0.077 -1.252 1.00 0.00 C ATOM 814 CG ASN A 62 -16.833 0.158 -2.708 1.00 0.00 C ATOM 815 OD1 ASN A 62 -17.355 1.177 -3.156 1.00 0.00 O ATOM 816 ND2 ASN A 62 -16.595 -0.906 -3.461 1.00 0.00 N ATOM 0 H ASN A 62 -16.594 0.054 1.236 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.161 -1.109 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.596 1.038 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.339 -0.105 -1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.847 -0.898 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.160 -1.733 -3.052 1.00 0.00 H new ATOM 823 N THR A 63 -17.157 -3.329 -1.151 1.00 0.00 N ATOM 824 CA THR A 63 -16.603 -4.642 -1.420 1.00 0.00 C ATOM 825 C THR A 63 -15.914 -4.670 -2.784 1.00 0.00 C ATOM 826 O THR A 63 -16.555 -4.487 -3.818 1.00 0.00 O ATOM 827 CB THR A 63 -17.707 -5.713 -1.376 1.00 0.00 C ATOM 828 OG1 THR A 63 -18.916 -5.141 -0.845 1.00 0.00 O ATOM 829 CG2 THR A 63 -17.279 -6.896 -0.521 1.00 0.00 C ATOM 0 H THR A 63 -18.151 -3.244 -1.362 1.00 0.00 H new ATOM 0 HA THR A 63 -15.865 -4.859 -0.648 1.00 0.00 H new ATOM 0 HB THR A 63 -17.885 -6.068 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.618 -5.825 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 63 -18.075 -7.640 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.376 -7.340 -0.940 1.00 0.00 H new ATOM 0 HG23 THR A 63 -17.079 -6.557 0.495 1.00 0.00 H new ATOM 837 N GLY A 64 -14.603 -4.861 -2.781 1.00 0.00 N ATOM 838 CA GLY A 64 -13.864 -4.927 -4.023 1.00 0.00 C ATOM 839 C GLY A 64 -12.563 -4.166 -3.941 1.00 0.00 C ATOM 840 O GLY A 64 -11.498 -4.707 -4.233 1.00 0.00 O ATOM 0 H GLY A 64 -14.038 -4.971 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.661 -5.969 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.473 -4.520 -4.831 1.00 0.00 H new ATOM 844 N SER A 65 -12.648 -2.909 -3.538 1.00 0.00 N ATOM 845 CA SER A 65 -11.471 -2.087 -3.351 1.00 0.00 C ATOM 846 C SER A 65 -10.738 -2.522 -2.089 1.00 0.00 C ATOM 847 O SER A 65 -11.364 -2.788 -1.062 1.00 0.00 O ATOM 848 CB SER A 65 -11.887 -0.620 -3.250 1.00 0.00 C ATOM 849 OG SER A 65 -13.285 -0.473 -3.464 1.00 0.00 O ATOM 0 H SER A 65 -13.528 -2.436 -3.334 1.00 0.00 H new ATOM 0 HA SER A 65 -10.800 -2.205 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.623 -0.230 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.339 -0.031 -3.985 1.00 0.00 H new ATOM 0 HG SER A 65 -13.765 -0.656 -2.629 1.00 0.00 H new ATOM 855 N ALA A 66 -9.419 -2.614 -2.170 1.00 0.00 N ATOM 856 CA ALA A 66 -8.619 -3.044 -1.037 1.00 0.00 C ATOM 857 C ALA A 66 -7.476 -2.072 -0.791 1.00 0.00 C ATOM 858 O ALA A 66 -7.180 -1.223 -1.637 1.00 0.00 O ATOM 859 CB ALA A 66 -8.080 -4.448 -1.269 1.00 0.00 C ATOM 0 H ALA A 66 -8.882 -2.396 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.256 -3.059 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.483 -4.755 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.912 -5.140 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.459 -4.456 -2.165 1.00 0.00 H new ATOM 865 N CYS A 67 -6.833 -2.205 0.359 1.00 0.00 N ATOM 866 CA CYS A 67 -5.703 -1.361 0.701 1.00 0.00 C ATOM 867 C CYS A 67 -4.497 -2.217 1.056 1.00 0.00 C ATOM 868 O CYS A 67 -4.598 -3.139 1.866 1.00 0.00 O ATOM 869 CB CYS A 67 -6.059 -0.443 1.869 1.00 0.00 C ATOM 870 SG CYS A 67 -5.980 1.337 1.481 1.00 0.00 S ATOM 0 H CYS A 67 -7.077 -2.892 1.072 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.455 -0.745 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.066 -0.684 2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.383 -0.652 2.698 1.00 0.00 H new ATOM 875 N ALA A 68 -3.362 -1.914 0.454 1.00 0.00 N ATOM 876 CA ALA A 68 -2.149 -2.670 0.693 1.00 0.00 C ATOM 877 C ALA A 68 -1.205 -1.876 1.571 1.00 0.00 C ATOM 878 O ALA A 68 -1.025 -0.672 1.377 1.00 0.00 O ATOM 879 CB ALA A 68 -1.473 -3.037 -0.618 1.00 0.00 C ATOM 0 H ALA A 68 -3.256 -1.145 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.414 -3.594 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.565 -3.604 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.151 -3.643 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.218 -2.128 -1.163 1.00 0.00 H new ATOM 885 N LYS A 69 -0.617 -2.542 2.540 1.00 0.00 N ATOM 886 CA LYS A 69 0.273 -1.886 3.478 1.00 0.00 C ATOM 887 C LYS A 69 1.716 -2.154 3.101 1.00 0.00 C ATOM 888 O LYS A 69 2.020 -3.151 2.447 1.00 0.00 O ATOM 889 CB LYS A 69 -0.004 -2.365 4.903 1.00 0.00 C ATOM 890 CG LYS A 69 -1.344 -3.061 5.060 1.00 0.00 C ATOM 891 CD LYS A 69 -2.405 -2.113 5.588 1.00 0.00 C ATOM 892 CE LYS A 69 -2.979 -2.617 6.895 1.00 0.00 C ATOM 893 NZ LYS A 69 -4.322 -3.232 6.720 1.00 0.00 N ATOM 0 H LYS A 69 -0.739 -3.542 2.701 1.00 0.00 H new ATOM 0 HA LYS A 69 0.094 -0.812 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.789 -3.048 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.034 -1.510 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.661 -3.464 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.239 -3.906 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.973 -1.123 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.203 -2.008 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.299 -3.350 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.049 -1.790 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.823 -3.237 7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.869 -2.681 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.215 -4.208 6.378 1.00 0.00 H new ATOM 907 N ALA A 70 2.602 -1.266 3.520 1.00 0.00 N ATOM 908 CA ALA A 70 4.017 -1.382 3.198 1.00 0.00 C ATOM 909 C ALA A 70 4.632 -2.609 3.860 1.00 0.00 C ATOM 910 O ALA A 70 5.625 -3.155 3.380 1.00 0.00 O ATOM 911 CB ALA A 70 4.752 -0.124 3.624 1.00 0.00 C ATOM 0 H ALA A 70 2.366 -0.452 4.087 1.00 0.00 H new ATOM 0 HA ALA A 70 4.114 -1.501 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.810 -0.220 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.335 0.736 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.640 0.017 4.699 1.00 0.00 H new ATOM 917 N SER A 71 4.006 -3.061 4.940 1.00 0.00 N ATOM 918 CA SER A 71 4.474 -4.220 5.677 1.00 0.00 C ATOM 919 C SER A 71 4.104 -5.481 4.912 1.00 0.00 C ATOM 920 O SER A 71 4.772 -6.511 4.994 1.00 0.00 O ATOM 921 CB SER A 71 3.821 -4.226 7.060 1.00 0.00 C ATOM 922 OG SER A 71 2.835 -3.207 7.146 1.00 0.00 O ATOM 0 H SER A 71 3.164 -2.634 5.325 1.00 0.00 H new ATOM 0 HA SER A 71 5.557 -4.182 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.366 -5.198 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.579 -4.073 7.828 1.00 0.00 H new ATOM 0 HG SER A 71 2.009 -3.581 7.518 1.00 0.00 H new ATOM 928 N LEU A 72 3.038 -5.367 4.141 1.00 0.00 N ATOM 929 CA LEU A 72 2.539 -6.464 3.345 1.00 0.00 C ATOM 930 C LEU A 72 3.194 -6.460 1.970 1.00 0.00 C ATOM 931 O LEU A 72 3.305 -7.494 1.319 1.00 0.00 O ATOM 932 CB LEU A 72 1.024 -6.345 3.216 1.00 0.00 C ATOM 933 CG LEU A 72 0.275 -7.641 3.477 1.00 0.00 C ATOM 934 CD1 LEU A 72 -1.125 -7.369 4.002 1.00 0.00 C ATOM 935 CD2 LEU A 72 0.232 -8.464 2.208 1.00 0.00 C ATOM 0 H LEU A 72 2.496 -4.508 4.052 1.00 0.00 H new ATOM 0 HA LEU A 72 2.783 -7.407 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.669 -5.586 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.782 -5.994 2.213 1.00 0.00 H new ATOM 0 HG LEU A 72 0.803 -8.205 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.637 -8.315 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.061 -6.810 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.682 -6.787 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.305 -9.394 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.278 -7.901 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.249 -8.691 1.887 1.00 0.00 H new ATOM 947 N ILE A 73 3.642 -5.290 1.544 1.00 0.00 N ATOM 948 CA ILE A 73 4.304 -5.160 0.258 1.00 0.00 C ATOM 949 C ILE A 73 5.598 -5.979 0.251 1.00 0.00 C ATOM 950 O ILE A 73 5.907 -6.661 -0.726 1.00 0.00 O ATOM 951 CB ILE A 73 4.579 -3.673 -0.091 1.00 0.00 C ATOM 952 CG1 ILE A 73 3.418 -3.108 -0.914 1.00 0.00 C ATOM 953 CG2 ILE A 73 5.890 -3.503 -0.856 1.00 0.00 C ATOM 954 CD1 ILE A 73 2.906 -1.771 -0.421 1.00 0.00 C ATOM 0 H ILE A 73 3.559 -4.419 2.069 1.00 0.00 H new ATOM 0 HA ILE A 73 3.639 -5.552 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 73 4.668 -3.123 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.738 -3.003 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.597 -3.825 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.046 -2.448 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.717 -3.870 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.845 -4.070 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.085 -1.439 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.553 -1.873 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.711 -1.037 -0.456 1.00 0.00 H new ATOM 966 N ASP A 74 6.319 -5.951 1.375 1.00 0.00 N ATOM 967 CA ASP A 74 7.565 -6.711 1.520 1.00 0.00 C ATOM 968 C ASP A 74 7.277 -8.186 1.806 1.00 0.00 C ATOM 969 O ASP A 74 8.188 -9.012 1.873 1.00 0.00 O ATOM 970 CB ASP A 74 8.431 -6.122 2.648 1.00 0.00 C ATOM 971 CG ASP A 74 9.785 -6.807 2.780 1.00 0.00 C ATOM 972 OD1 ASP A 74 10.447 -7.035 1.743 1.00 0.00 O ATOM 973 OD2 ASP A 74 10.187 -7.127 3.919 1.00 0.00 O ATOM 0 H ASP A 74 6.061 -5.409 2.200 1.00 0.00 H new ATOM 0 HA ASP A 74 8.110 -6.638 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.585 -5.059 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.894 -6.207 3.593 1.00 0.00 H new ATOM 978 N GLN A 75 6.003 -8.526 1.937 1.00 0.00 N ATOM 979 CA GLN A 75 5.621 -9.863 2.337 1.00 0.00 C ATOM 980 C GLN A 75 5.651 -10.807 1.151 1.00 0.00 C ATOM 981 O GLN A 75 6.081 -11.953 1.274 1.00 0.00 O ATOM 982 CB GLN A 75 4.229 -9.849 2.975 1.00 0.00 C ATOM 983 CG GLN A 75 4.138 -10.673 4.248 1.00 0.00 C ATOM 984 CD GLN A 75 5.328 -10.451 5.158 1.00 0.00 C ATOM 985 OE1 GLN A 75 5.939 -11.399 5.649 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.666 -9.192 5.387 1.00 0.00 N ATOM 0 H GLN A 75 5.221 -7.892 1.771 1.00 0.00 H new ATOM 0 HA GLN A 75 6.340 -10.220 3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.950 -8.819 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.504 -10.227 2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.222 -10.416 4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.071 -11.730 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.132 -8.435 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.460 -8.979 5.991 1.00 0.00 H new ATOM 995 N LEU A 76 5.212 -10.319 0.001 1.00 0.00 N ATOM 996 CA LEU A 76 5.123 -11.156 -1.186 1.00 0.00 C ATOM 997 C LEU A 76 5.469 -10.379 -2.451 1.00 0.00 C ATOM 998 O LEU A 76 5.191 -10.839 -3.557 1.00 0.00 O ATOM 999 CB LEU A 76 3.713 -11.735 -1.306 1.00 0.00 C ATOM 1000 CG LEU A 76 3.278 -12.609 -0.132 1.00 0.00 C ATOM 1001 CD1 LEU A 76 2.076 -12.007 0.576 1.00 0.00 C ATOM 1002 CD2 LEU A 76 2.973 -14.014 -0.609 1.00 0.00 C ATOM 0 H LEU A 76 4.913 -9.353 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 76 5.848 -11.963 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.005 -10.913 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.654 -12.324 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 76 4.098 -12.657 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.785 -12.648 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.334 -11.017 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.245 -11.923 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.664 -14.627 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.170 -13.982 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.865 -14.446 -1.063 1.00 0.00 H new ATOM 1014 N GLY A 77 6.076 -9.207 -2.290 1.00 0.00 N ATOM 1015 CA GLY A 77 6.389 -8.381 -3.439 1.00 0.00 C ATOM 1016 C GLY A 77 5.130 -7.934 -4.147 1.00 0.00 C ATOM 1017 O GLY A 77 5.044 -7.978 -5.375 1.00 0.00 O ATOM 0 H GLY A 77 6.355 -8.817 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.959 -7.509 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.020 -8.939 -4.131 1.00 0.00 H new ATOM 1021 N LEU A 78 4.152 -7.511 -3.350 1.00 0.00 N ATOM 1022 CA LEU A 78 2.843 -7.121 -3.856 1.00 0.00 C ATOM 1023 C LEU A 78 2.968 -6.078 -4.951 1.00 0.00 C ATOM 1024 O LEU A 78 3.618 -5.051 -4.773 1.00 0.00 O ATOM 1025 CB LEU A 78 1.978 -6.586 -2.713 1.00 0.00 C ATOM 1026 CG LEU A 78 0.970 -7.589 -2.153 1.00 0.00 C ATOM 1027 CD1 LEU A 78 1.669 -8.616 -1.278 1.00 0.00 C ATOM 1028 CD2 LEU A 78 -0.113 -6.872 -1.368 1.00 0.00 C ATOM 0 H LEU A 78 4.246 -7.430 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 78 2.366 -8.003 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.631 -6.257 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.438 -5.707 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 78 0.503 -8.110 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.935 -9.322 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.411 -9.153 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.163 -8.111 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.822 -7.601 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.339 -6.325 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.635 -6.174 -2.022 1.00 0.00 H new ATOM 1040 N LEU A 79 2.359 -6.361 -6.092 1.00 0.00 N ATOM 1041 CA LEU A 79 2.412 -5.452 -7.220 1.00 0.00 C ATOM 1042 C LEU A 79 1.015 -4.969 -7.591 1.00 0.00 C ATOM 1043 O LEU A 79 0.848 -4.154 -8.491 1.00 0.00 O ATOM 1044 CB LEU A 79 3.056 -6.153 -8.420 1.00 0.00 C ATOM 1045 CG LEU A 79 2.250 -7.321 -9.002 1.00 0.00 C ATOM 1046 CD1 LEU A 79 2.128 -7.185 -10.510 1.00 0.00 C ATOM 1047 CD2 LEU A 79 2.887 -8.653 -8.631 1.00 0.00 C ATOM 0 H LEU A 79 1.823 -7.213 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 79 3.013 -4.587 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.218 -5.416 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.037 -6.522 -8.122 1.00 0.00 H new ATOM 0 HG LEU A 79 1.248 -7.293 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.553 -8.022 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.621 -6.251 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.122 -7.184 -10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.299 -9.468 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.902 -8.694 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.917 -8.752 -7.546 1.00 0.00 H new ATOM 1059 N ALA A 80 0.016 -5.468 -6.876 1.00 0.00 N ATOM 1060 CA ALA A 80 -1.377 -5.181 -7.199 1.00 0.00 C ATOM 1061 C ALA A 80 -1.811 -3.811 -6.688 1.00 0.00 C ATOM 1062 O ALA A 80 -2.935 -3.377 -6.941 1.00 0.00 O ATOM 1063 CB ALA A 80 -2.279 -6.251 -6.603 1.00 0.00 C ATOM 0 H ALA A 80 0.144 -6.075 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.466 -5.179 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.318 -6.030 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.009 -7.224 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.158 -6.267 -5.520 1.00 0.00 H new ATOM 1069 N LEU A 81 -0.930 -3.130 -5.965 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.320 -1.891 -5.317 1.00 0.00 C ATOM 1071 C LEU A 81 -0.139 -0.959 -5.064 1.00 0.00 C ATOM 1072 O LEU A 81 -0.093 -0.267 -4.046 1.00 0.00 O ATOM 1073 CB LEU A 81 -2.021 -2.201 -4.002 1.00 0.00 C ATOM 1074 CG LEU A 81 -3.413 -1.600 -3.881 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -4.190 -2.274 -2.769 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -3.306 -0.106 -3.647 1.00 0.00 C ATOM 0 H LEU A 81 0.040 -3.410 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.997 -1.372 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.093 -3.283 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.406 -1.834 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.957 -1.767 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.183 -1.830 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.283 -3.339 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.664 -2.139 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.305 0.321 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.751 0.079 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.784 0.357 -4.485 1.00 0.00 H new ATOM 1088 N VAL A 82 0.810 -0.931 -5.981 1.00 0.00 N ATOM 1089 CA VAL A 82 1.921 0.005 -5.877 1.00 0.00 C ATOM 1090 C VAL A 82 2.263 0.566 -7.236 1.00 0.00 C ATOM 1091 O VAL A 82 2.282 -0.156 -8.234 1.00 0.00 O ATOM 1092 CB VAL A 82 3.198 -0.623 -5.271 1.00 0.00 C ATOM 1093 CG1 VAL A 82 3.674 0.188 -4.073 1.00 0.00 C ATOM 1094 CG2 VAL A 82 2.969 -2.074 -4.880 1.00 0.00 C ATOM 0 H VAL A 82 0.837 -1.538 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 82 1.584 0.792 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 82 3.975 -0.604 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.573 -0.268 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.896 1.207 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.893 0.206 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.885 -2.486 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.171 -2.130 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.686 -2.648 -5.762 1.00 0.00 H new ATOM 1104 N ASP A 83 2.521 1.855 -7.265 1.00 0.00 N ATOM 1105 CA ASP A 83 2.994 2.510 -8.467 1.00 0.00 C ATOM 1106 C ASP A 83 4.450 2.889 -8.252 1.00 0.00 C ATOM 1107 O ASP A 83 4.901 2.982 -7.107 1.00 0.00 O ATOM 1108 CB ASP A 83 2.137 3.738 -8.791 1.00 0.00 C ATOM 1109 CG ASP A 83 1.951 3.944 -10.285 1.00 0.00 C ATOM 1110 OD1 ASP A 83 2.936 3.815 -11.043 1.00 0.00 O ATOM 1111 OD2 ASP A 83 0.807 4.225 -10.712 1.00 0.00 O ATOM 0 H ASP A 83 2.410 2.476 -6.463 1.00 0.00 H new ATOM 0 HA ASP A 83 2.913 1.837 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.161 3.630 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.602 4.625 -8.361 1.00 0.00 H new ATOM 1116 N HIS A 84 5.198 3.093 -9.318 1.00 0.00 N ATOM 1117 CA HIS A 84 6.636 3.255 -9.168 1.00 0.00 C ATOM 1118 C HIS A 84 7.145 4.548 -9.770 1.00 0.00 C ATOM 1119 O HIS A 84 7.090 4.754 -10.983 1.00 0.00 O ATOM 1120 CB HIS A 84 7.386 2.073 -9.779 1.00 0.00 C ATOM 1121 CG HIS A 84 8.433 1.524 -8.863 1.00 0.00 C ATOM 1122 ND1 HIS A 84 9.538 2.242 -8.459 1.00 0.00 N ATOM 1123 CD2 HIS A 84 8.519 0.323 -8.247 1.00 0.00 C ATOM 1124 CE1 HIS A 84 10.256 1.509 -7.629 1.00 0.00 C ATOM 1125 NE2 HIS A 84 9.659 0.337 -7.485 1.00 0.00 N ATOM 0 H HIS A 84 4.849 3.150 -10.275 1.00 0.00 H new ATOM 0 HA HIS A 84 6.828 3.292 -8.096 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.675 1.285 -10.027 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.853 2.386 -10.713 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.765 3.191 -8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.820 -0.495 -8.338 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.174 1.814 -7.149 1.00 0.00 H new ATOM 1134 N THR A 85 7.648 5.411 -8.907 1.00 0.00 N ATOM 1135 CA THR A 85 8.329 6.613 -9.342 1.00 0.00 C ATOM 1136 C THR A 85 9.832 6.476 -9.088 1.00 0.00 C ATOM 1137 O THR A 85 10.301 5.389 -8.740 1.00 0.00 O ATOM 1138 CB THR A 85 7.777 7.850 -8.619 1.00 0.00 C ATOM 1139 OG1 THR A 85 7.371 7.494 -7.291 1.00 0.00 O ATOM 1140 CG2 THR A 85 6.591 8.423 -9.377 1.00 0.00 C ATOM 0 H THR A 85 7.596 5.299 -7.894 1.00 0.00 H new ATOM 0 HA THR A 85 8.155 6.743 -10.410 1.00 0.00 H new ATOM 0 HB THR A 85 8.562 8.605 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.020 7.844 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.212 9.299 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.905 8.710 -10.381 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.804 7.671 -9.444 1.00 0.00 H new ATOM 1148 N GLU A 86 10.579 7.565 -9.239 1.00 0.00 N ATOM 1149 CA GLU A 86 12.036 7.515 -9.120 1.00 0.00 C ATOM 1150 C GLU A 86 12.483 7.556 -7.657 1.00 0.00 C ATOM 1151 O GLU A 86 13.663 7.372 -7.354 1.00 0.00 O ATOM 1152 CB GLU A 86 12.667 8.677 -9.896 1.00 0.00 C ATOM 1153 CG GLU A 86 12.344 8.666 -11.385 1.00 0.00 C ATOM 1154 CD GLU A 86 12.408 10.051 -12.005 1.00 0.00 C ATOM 1155 OE1 GLU A 86 12.781 11.008 -11.297 1.00 0.00 O ATOM 1156 OE2 GLU A 86 12.087 10.192 -13.205 1.00 0.00 O ATOM 0 H GLU A 86 10.203 8.491 -9.443 1.00 0.00 H new ATOM 0 HA GLU A 86 12.374 6.570 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.324 9.618 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.749 8.643 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.044 8.008 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.347 8.251 -11.534 1.00 0.00 H new ATOM 1163 N GLU A 87 11.537 7.785 -6.754 1.00 0.00 N ATOM 1164 CA GLU A 87 11.843 7.887 -5.331 1.00 0.00 C ATOM 1165 C GLU A 87 11.417 6.622 -4.594 1.00 0.00 C ATOM 1166 O GLU A 87 11.354 6.598 -3.359 1.00 0.00 O ATOM 1167 CB GLU A 87 11.154 9.110 -4.712 1.00 0.00 C ATOM 1168 CG GLU A 87 10.791 10.190 -5.717 1.00 0.00 C ATOM 1169 CD GLU A 87 9.441 9.950 -6.357 1.00 0.00 C ATOM 1170 OE1 GLU A 87 8.617 9.223 -5.762 1.00 0.00 O ATOM 1171 OE2 GLU A 87 9.194 10.476 -7.455 1.00 0.00 O ATOM 0 H GLU A 87 10.550 7.904 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 87 12.922 8.005 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.248 8.784 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.810 9.539 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.787 11.160 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.556 10.233 -6.493 1.00 0.00 H new ATOM 1178 N GLY A 88 11.111 5.578 -5.356 1.00 0.00 N ATOM 1179 CA GLY A 88 10.751 4.305 -4.764 1.00 0.00 C ATOM 1180 C GLY A 88 9.319 3.907 -5.064 1.00 0.00 C ATOM 1181 O GLY A 88 8.686 4.483 -5.955 1.00 0.00 O ATOM 0 H GLY A 88 11.106 5.592 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.424 3.532 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.891 4.358 -3.684 1.00 0.00 H new ATOM 1185 N PRO A 89 8.787 2.904 -4.353 1.00 0.00 N ATOM 1186 CA PRO A 89 7.399 2.473 -4.487 1.00 0.00 C ATOM 1187 C PRO A 89 6.457 3.388 -3.712 1.00 0.00 C ATOM 1188 O PRO A 89 6.743 3.765 -2.575 1.00 0.00 O ATOM 1189 CB PRO A 89 7.388 1.057 -3.881 1.00 0.00 C ATOM 1190 CG PRO A 89 8.798 0.774 -3.459 1.00 0.00 C ATOM 1191 CD PRO A 89 9.491 2.103 -3.353 1.00 0.00 C ATOM 0 HA PRO A 89 7.059 2.498 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.708 1.002 -3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.045 0.324 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.818 0.249 -2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.298 0.133 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.401 2.530 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.556 2.025 -3.571 1.00 0.00 H new ATOM 1199 N VAL A 90 5.343 3.748 -4.332 1.00 0.00 N ATOM 1200 CA VAL A 90 4.414 4.697 -3.741 1.00 0.00 C ATOM 1201 C VAL A 90 2.970 4.285 -3.990 1.00 0.00 C ATOM 1202 O VAL A 90 2.705 3.188 -4.490 1.00 0.00 O ATOM 1203 CB VAL A 90 4.642 6.114 -4.300 1.00 0.00 C ATOM 1204 CG1 VAL A 90 5.721 6.828 -3.500 1.00 0.00 C ATOM 1205 CG2 VAL A 90 5.009 6.056 -5.775 1.00 0.00 C ATOM 0 H VAL A 90 5.061 3.396 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 90 4.600 4.701 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 90 3.714 6.679 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.872 7.828 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.412 6.902 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.653 6.266 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.166 7.067 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.924 5.476 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.201 5.583 -6.333 1.00 0.00 H new ATOM 1215 N CYS A 91 2.040 5.174 -3.661 1.00 0.00 N ATOM 1216 CA CYS A 91 0.623 4.878 -3.803 1.00 0.00 C ATOM 1217 C CYS A 91 0.248 4.726 -5.266 1.00 0.00 C ATOM 1218 O CYS A 91 0.608 5.552 -6.103 1.00 0.00 O ATOM 1219 CB CYS A 91 -0.228 5.969 -3.153 1.00 0.00 C ATOM 1220 SG CYS A 91 -0.993 5.454 -1.581 1.00 0.00 S ATOM 0 H CYS A 91 2.243 6.104 -3.295 1.00 0.00 H new ATOM 0 HA CYS A 91 0.426 3.935 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.394 6.846 -2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -1.012 6.270 -3.848 1.00 0.00 H new ATOM 1225 N LYS A 92 -0.474 3.658 -5.567 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.825 3.333 -6.935 1.00 0.00 C ATOM 1227 C LYS A 92 -1.921 4.253 -7.462 1.00 0.00 C ATOM 1228 O LYS A 92 -1.929 4.611 -8.640 1.00 0.00 O ATOM 1229 CB LYS A 92 -1.273 1.874 -7.014 1.00 0.00 C ATOM 1230 CG LYS A 92 -1.899 1.499 -8.342 1.00 0.00 C ATOM 1231 CD LYS A 92 -0.847 1.112 -9.366 1.00 0.00 C ATOM 1232 CE LYS A 92 -1.283 1.486 -10.770 1.00 0.00 C ATOM 1233 NZ LYS A 92 -1.486 2.953 -10.911 1.00 0.00 N ATOM 0 H LYS A 92 -0.829 2.999 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 92 0.056 3.478 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.413 1.229 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.990 1.680 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.590 0.668 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.484 2.338 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.094 1.609 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.662 0.039 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.531 1.152 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.209 0.965 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.276 3.133 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.703 3.364 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.620 3.389 -11.288 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.841 4.632 -6.587 1.00 0.00 N ATOM 1248 CA ASN A 93 -3.981 5.437 -6.995 1.00 0.00 C ATOM 1249 C ASN A 93 -4.547 6.239 -5.830 1.00 0.00 C ATOM 1250 O ASN A 93 -4.338 7.442 -5.734 1.00 0.00 O ATOM 1251 CB ASN A 93 -5.075 4.542 -7.580 1.00 0.00 C ATOM 1252 CG ASN A 93 -5.094 4.542 -9.098 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -4.929 5.581 -9.742 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -5.302 3.370 -9.682 1.00 0.00 N ATOM 0 H ASN A 93 -2.820 4.396 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.634 6.138 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.931 3.522 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.045 4.875 -7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.330 3.305 -10.700 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.434 2.533 -9.114 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.247 5.556 -4.929 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.978 6.223 -3.855 1.00 0.00 C ATOM 1263 C ILE A 94 -5.188 6.203 -2.547 1.00 0.00 C ATOM 1264 O ILE A 94 -4.578 5.190 -2.190 1.00 0.00 O ATOM 1265 CB ILE A 94 -7.360 5.552 -3.643 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -8.238 5.737 -4.883 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -8.065 6.108 -2.412 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -8.587 4.439 -5.581 1.00 0.00 C ATOM 0 H ILE A 94 -5.324 4.539 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.123 7.262 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.192 4.487 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.159 6.242 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.724 6.391 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.030 5.616 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.453 5.925 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.217 7.181 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.211 4.649 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.672 3.942 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.130 3.791 -4.893 1.00 0.00 H new ATOM 1280 N VAL A 95 -5.199 7.326 -1.838 1.00 0.00 N ATOM 1281 CA VAL A 95 -4.521 7.429 -0.557 1.00 0.00 C ATOM 1282 C VAL A 95 -5.515 7.210 0.576 1.00 0.00 C ATOM 1283 O VAL A 95 -6.478 7.963 0.726 1.00 0.00 O ATOM 1284 CB VAL A 95 -3.848 8.807 -0.383 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -3.008 8.839 0.888 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -2.995 9.143 -1.596 1.00 0.00 C ATOM 0 H VAL A 95 -5.673 8.180 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.748 6.661 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.631 9.560 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.542 9.819 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.646 8.647 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.234 8.074 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.529 10.118 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.221 8.385 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.623 9.167 -2.487 1.00 0.00 H new ATOM 1296 N ALA A 96 -5.290 6.176 1.371 1.00 0.00 N ATOM 1297 CA ALA A 96 -6.218 5.822 2.430 1.00 0.00 C ATOM 1298 C ALA A 96 -5.476 5.304 3.655 1.00 0.00 C ATOM 1299 O ALA A 96 -4.322 4.888 3.562 1.00 0.00 O ATOM 1300 CB ALA A 96 -7.206 4.778 1.934 1.00 0.00 C ATOM 0 H ALA A 96 -4.473 5.569 1.302 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.765 6.720 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.897 4.520 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.765 5.179 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.665 3.885 1.620 1.00 0.00 H new ATOM 1306 N CYS A 97 -6.146 5.325 4.796 1.00 0.00 N ATOM 1307 CA CYS A 97 -5.564 4.823 6.033 1.00 0.00 C ATOM 1308 C CYS A 97 -6.200 3.483 6.389 1.00 0.00 C ATOM 1309 O CYS A 97 -7.422 3.364 6.491 1.00 0.00 O ATOM 1310 CB CYS A 97 -5.742 5.840 7.166 1.00 0.00 C ATOM 1311 SG CYS A 97 -4.295 5.994 8.273 1.00 0.00 S ATOM 0 H CYS A 97 -7.096 5.685 4.892 1.00 0.00 H new ATOM 0 HA CYS A 97 -4.494 4.674 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.958 6.816 6.732 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -6.611 5.556 7.760 1.00 0.00 H new ATOM 1316 N CYS A 98 -5.361 2.473 6.567 1.00 0.00 N ATOM 1317 CA CYS A 98 -5.822 1.109 6.745 1.00 0.00 C ATOM 1318 C CYS A 98 -5.064 0.420 7.873 1.00 0.00 C ATOM 1319 O CYS A 98 -3.851 0.247 7.793 1.00 0.00 O ATOM 1320 CB CYS A 98 -5.621 0.334 5.446 1.00 0.00 C ATOM 1321 SG CYS A 98 -6.287 -1.361 5.467 1.00 0.00 S ATOM 0 H CYS A 98 -4.347 2.578 6.592 1.00 0.00 H new ATOM 0 HA CYS A 98 -6.880 1.131 7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.092 0.886 4.632 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.554 0.289 5.226 1.00 0.00 H new ATOM 1326 N PRO A 99 -5.772 0.012 8.932 1.00 0.00 N ATOM 1327 CA PRO A 99 -5.164 -0.656 10.085 1.00 0.00 C ATOM 1328 C PRO A 99 -4.819 -2.115 9.787 1.00 0.00 C ATOM 1329 O PRO A 99 -5.578 -2.819 9.116 1.00 0.00 O ATOM 1330 CB PRO A 99 -6.262 -0.562 11.146 1.00 0.00 C ATOM 1331 CG PRO A 99 -7.533 -0.572 10.368 1.00 0.00 C ATOM 1332 CD PRO A 99 -7.233 0.162 9.085 1.00 0.00 C ATOM 0 HA PRO A 99 -4.220 -0.201 10.385 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -6.215 -1.400 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.166 0.348 11.738 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.861 -1.592 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.334 -0.082 10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.771 -0.270 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.524 1.211 9.146 1.00 0.00 H new ATOM 1340 N GLU A 100 -3.658 -2.564 10.238 1.00 0.00 N ATOM 1341 CA GLU A 100 -3.283 -3.959 10.064 1.00 0.00 C ATOM 1342 C GLU A 100 -3.841 -4.808 11.199 1.00 0.00 C ATOM 1343 O GLU A 100 -3.844 -4.390 12.356 1.00 0.00 O ATOM 1344 CB GLU A 100 -1.763 -4.120 9.982 1.00 0.00 C ATOM 1345 CG GLU A 100 -1.327 -5.131 8.929 1.00 0.00 C ATOM 1346 CD GLU A 100 0.110 -4.941 8.491 1.00 0.00 C ATOM 1347 OE1 GLU A 100 0.372 -4.021 7.693 1.00 0.00 O ATOM 1348 OE2 GLU A 100 0.978 -5.716 8.945 1.00 0.00 O ATOM 0 H GLU A 100 -2.966 -1.991 10.722 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.711 -4.303 9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.312 -3.153 9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.383 -4.431 10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.450 -6.138 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.980 -5.049 8.061 1.00 0.00 H new ATOM 1355 N GLY A 101 -4.329 -5.992 10.854 1.00 0.00 N ATOM 1356 CA GLY A 101 -4.901 -6.879 11.844 1.00 0.00 C ATOM 1357 C GLY A 101 -6.276 -7.356 11.434 1.00 0.00 C ATOM 1358 O GLY A 101 -6.491 -8.546 11.227 1.00 0.00 O ATOM 0 H GLY A 101 -4.338 -6.354 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.245 -7.738 11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.965 -6.363 12.802 1.00 0.00 H new ATOM 1362 N THR A 102 -7.208 -6.415 11.323 1.00 0.00 N ATOM 1363 CA THR A 102 -8.576 -6.707 10.903 1.00 0.00 C ATOM 1364 C THR A 102 -9.311 -5.415 10.570 1.00 0.00 C ATOM 1365 O THR A 102 -8.761 -4.322 10.752 1.00 0.00 O ATOM 1366 CB THR A 102 -9.369 -7.476 11.990 1.00 0.00 C ATOM 1367 OG1 THR A 102 -8.543 -7.731 13.137 1.00 0.00 O ATOM 1368 CG2 THR A 102 -9.894 -8.793 11.442 1.00 0.00 C ATOM 0 H THR A 102 -7.038 -5.429 11.521 1.00 0.00 H new ATOM 0 HA THR A 102 -8.510 -7.341 10.019 1.00 0.00 H new ATOM 0 HB THR A 102 -10.212 -6.853 12.289 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.062 -8.216 13.812 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.448 -9.317 12.221 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.554 -8.598 10.597 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.057 -9.410 11.114 1.00 0.00 H new ATOM 1376 N THR A 103 -10.550 -5.551 10.096 1.00 0.00 N ATOM 1377 CA THR A 103 -11.415 -4.417 9.778 1.00 0.00 C ATOM 1378 C THR A 103 -10.987 -3.708 8.494 1.00 0.00 C ATOM 1379 O THR A 103 -9.896 -3.931 7.964 1.00 0.00 O ATOM 1380 CB THR A 103 -11.496 -3.402 10.944 1.00 0.00 C ATOM 1381 OG1 THR A 103 -11.356 -4.080 12.198 1.00 0.00 O ATOM 1382 CG2 THR A 103 -12.817 -2.644 10.928 1.00 0.00 C ATOM 0 H THR A 103 -10.983 -6.458 9.921 1.00 0.00 H new ATOM 0 HA THR A 103 -12.410 -4.834 9.620 1.00 0.00 H new ATOM 0 HB THR A 103 -10.683 -2.687 10.817 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.407 -3.429 12.929 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.842 -1.939 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.913 -2.100 9.988 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.642 -3.349 11.025 1.00 0.00 H new ATOM 1390 N ASN A 104 -11.884 -2.868 8.002 1.00 0.00 N ATOM 1391 CA ASN A 104 -11.719 -2.191 6.724 1.00 0.00 C ATOM 1392 C ASN A 104 -10.782 -0.993 6.823 1.00 0.00 C ATOM 1393 O ASN A 104 -10.361 -0.592 7.912 1.00 0.00 O ATOM 1394 CB ASN A 104 -13.074 -1.705 6.198 1.00 0.00 C ATOM 1395 CG ASN A 104 -14.165 -2.760 6.245 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -13.906 -3.956 6.108 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -15.400 -2.321 6.449 1.00 0.00 N ATOM 0 H ASN A 104 -12.754 -2.635 8.481 1.00 0.00 H new ATOM 0 HA ASN A 104 -11.282 -2.919 6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.391 -0.842 6.783 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.953 -1.366 5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -16.175 -2.982 6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.575 -1.322 6.558 1.00 0.00 H new ATOM 1404 N CYS A 105 -10.479 -0.420 5.670 1.00 0.00 N ATOM 1405 CA CYS A 105 -9.681 0.789 5.582 1.00 0.00 C ATOM 1406 C CYS A 105 -10.541 1.938 5.059 1.00 0.00 C ATOM 1407 O CYS A 105 -11.388 1.735 4.191 1.00 0.00 O ATOM 1408 CB CYS A 105 -8.497 0.553 4.648 1.00 0.00 C ATOM 1409 SG CYS A 105 -8.040 -1.205 4.458 1.00 0.00 S ATOM 0 H CYS A 105 -10.781 -0.783 4.766 1.00 0.00 H new ATOM 0 HA CYS A 105 -9.307 1.050 6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -8.734 0.964 3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.635 1.103 5.025 1.00 0.00 H new ATOM 1414 N VAL A 106 -10.321 3.140 5.575 1.00 0.00 N ATOM 1415 CA VAL A 106 -11.144 4.287 5.209 1.00 0.00 C ATOM 1416 C VAL A 106 -10.416 5.197 4.219 1.00 0.00 C ATOM 1417 O VAL A 106 -9.195 5.384 4.302 1.00 0.00 O ATOM 1418 CB VAL A 106 -11.593 5.094 6.463 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -11.648 4.195 7.692 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -10.685 6.294 6.723 1.00 0.00 C ATOM 0 H VAL A 106 -9.582 3.347 6.247 1.00 0.00 H new ATOM 0 HA VAL A 106 -12.039 3.898 4.723 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.594 5.475 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.964 4.779 8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.359 3.387 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.660 3.774 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.033 6.829 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.664 5.949 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.708 6.961 5.862 1.00 0.00 H new ATOM 1430 N ALA A 107 -11.164 5.737 3.267 1.00 0.00 N ATOM 1431 CA ALA A 107 -10.617 6.664 2.290 1.00 0.00 C ATOM 1432 C ALA A 107 -11.087 8.080 2.584 1.00 0.00 C ATOM 1433 O ALA A 107 -12.291 8.347 2.650 1.00 0.00 O ATOM 1434 CB ALA A 107 -11.010 6.253 0.881 1.00 0.00 C ATOM 0 H ALA A 107 -12.159 5.546 3.151 1.00 0.00 H new ATOM 0 HA ALA A 107 -9.530 6.638 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.590 6.960 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.626 5.255 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.096 6.249 0.793 1.00 0.00 H new ATOM 1440 N VAL A 108 -10.133 8.980 2.771 1.00 0.00 N ATOM 1441 CA VAL A 108 -10.443 10.361 3.121 1.00 0.00 C ATOM 1442 C VAL A 108 -9.736 11.331 2.185 1.00 0.00 C ATOM 1443 O VAL A 108 -9.608 12.519 2.485 1.00 0.00 O ATOM 1444 CB VAL A 108 -10.045 10.698 4.578 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -11.274 10.696 5.476 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -9.001 9.724 5.100 1.00 0.00 C ATOM 0 H VAL A 108 -9.136 8.780 2.686 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.523 10.468 3.021 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.606 11.696 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.978 10.935 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -11.986 11.441 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.739 9.711 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.740 9.985 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.403 8.711 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.110 9.776 4.475 1.00 0.00 H new ATOM 1456 N ASP A 109 -9.291 10.819 1.050 1.00 0.00 N ATOM 1457 CA ASP A 109 -8.558 11.622 0.078 1.00 0.00 C ATOM 1458 C ASP A 109 -9.516 12.338 -0.866 1.00 0.00 C ATOM 1459 O ASP A 109 -9.329 13.515 -1.178 1.00 0.00 O ATOM 1460 CB ASP A 109 -7.591 10.737 -0.724 1.00 0.00 C ATOM 1461 CG ASP A 109 -8.304 9.732 -1.613 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -9.296 9.118 -1.152 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -7.884 9.566 -2.774 1.00 0.00 O ATOM 0 H ASP A 109 -9.424 9.846 0.775 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.984 12.373 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.954 11.371 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.938 10.204 -0.033 1.00 0.00 H new