USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=18 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=-0.00225 X(o=1.3,f=0.99) USER MOD Set 1.2: A 60 SER OG : rot 52:sc= 1.09 USER MOD Set 1.3: A 104 ASN : amide:sc= 0.203 K(o=1.3,f=-0.11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 15 SER OG : rot -103:sc= 0.546 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.00632 X(o=0.0063,f=-0.15) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 28 ASN : amide:sc= -0.193 K(o=-0.19,f=-2!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0396 USER MOD Single : A 36 ASN : amide:sc= 1.3 K(o=1.3,f=-3.9!) USER MOD Single : A 37 SER OG : rot 91:sc= 0.0959 USER MOD Single : A 41 THR OG1 : rot -113:sc= 0.151 USER MOD Single : A 42 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.026) USER MOD Single : A 43 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 45 SER OG : rot 95:sc= 0.117 USER MOD Single : A 48 SER OG : rot 180:sc= 0.107 USER MOD Single : A 62 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.6!) USER MOD Single : A 63 THR OG1 : rot 81:sc= 0.0616 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0.3 (180deg=0.167) USER MOD Single : A 71 SER OG : rot -132:sc= 1.23 USER MOD Single : A 75 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.29) USER MOD Single : A 84 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-0.27) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 92 LYS NZ :NH3+ -102:sc= 1.17 (180deg=-0.653) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 12 10.278 2.675 3.558 1.00 0.00 N ATOM 157 CA LEU A 12 9.942 1.787 2.456 1.00 0.00 C ATOM 158 C LEU A 12 11.111 1.683 1.482 1.00 0.00 C ATOM 159 O LEU A 12 10.927 1.785 0.271 1.00 0.00 O ATOM 160 CB LEU A 12 8.697 2.299 1.727 1.00 0.00 C ATOM 161 CG LEU A 12 7.363 1.929 2.374 1.00 0.00 C ATOM 162 CD1 LEU A 12 6.923 3.016 3.345 1.00 0.00 C ATOM 163 CD2 LEU A 12 6.299 1.706 1.309 1.00 0.00 C ATOM 0 HA LEU A 12 9.734 0.796 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.759 3.385 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.708 1.912 0.708 1.00 0.00 H new ATOM 0 HG LEU A 12 7.495 1.001 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.971 2.737 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.675 3.133 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.807 3.958 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.355 1.443 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.169 2.619 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.609 0.896 0.649 1.00 0.00 H new ATOM 175 N ALA A 13 12.319 1.528 2.041 1.00 0.00 N ATOM 176 CA ALA A 13 13.568 1.408 1.269 1.00 0.00 C ATOM 177 C ALA A 13 13.945 2.724 0.586 1.00 0.00 C ATOM 178 O ALA A 13 15.062 2.888 0.100 1.00 0.00 O ATOM 179 CB ALA A 13 13.479 0.277 0.249 1.00 0.00 C ATOM 0 H ALA A 13 12.460 1.482 3.050 1.00 0.00 H new ATOM 0 HA ALA A 13 14.360 1.168 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.415 0.213 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.298 -0.665 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.660 0.475 -0.443 1.00 0.00 H new ATOM 185 N THR A 14 13.001 3.647 0.546 1.00 0.00 N ATOM 186 CA THR A 14 13.216 4.970 -0.025 1.00 0.00 C ATOM 187 C THR A 14 12.100 5.900 0.424 1.00 0.00 C ATOM 188 O THR A 14 12.350 6.936 1.036 1.00 0.00 O ATOM 189 CB THR A 14 13.250 4.940 -1.570 1.00 0.00 C ATOM 190 OG1 THR A 14 13.084 3.597 -2.051 1.00 0.00 O ATOM 191 CG2 THR A 14 14.557 5.512 -2.097 1.00 0.00 C ATOM 0 H THR A 14 12.059 3.502 0.909 1.00 0.00 H new ATOM 0 HA THR A 14 14.184 5.326 0.327 1.00 0.00 H new ATOM 0 HB THR A 14 12.427 5.555 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.106 3.595 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.555 5.479 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.662 6.545 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.391 4.922 -1.718 1.00 0.00 H new ATOM 199 N SER A 15 10.861 5.480 0.154 1.00 0.00 N ATOM 200 CA SER A 15 9.664 6.244 0.510 1.00 0.00 C ATOM 201 C SER A 15 9.708 7.649 -0.100 1.00 0.00 C ATOM 202 O SER A 15 9.357 7.818 -1.265 1.00 0.00 O ATOM 203 CB SER A 15 9.494 6.303 2.034 1.00 0.00 C ATOM 204 OG SER A 15 10.355 5.380 2.684 1.00 0.00 O ATOM 0 H SER A 15 10.660 4.599 -0.319 1.00 0.00 H new ATOM 0 HA SER A 15 8.796 5.732 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.706 7.312 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.459 6.084 2.296 1.00 0.00 H new ATOM 0 HG SER A 15 9.838 4.600 2.975 1.00 0.00 H new ATOM 210 N ALA A 16 10.151 8.636 0.694 1.00 0.00 N ATOM 211 CA ALA A 16 10.253 10.032 0.253 1.00 0.00 C ATOM 212 C ALA A 16 8.926 10.538 -0.321 1.00 0.00 C ATOM 213 O ALA A 16 8.076 11.038 0.421 1.00 0.00 O ATOM 214 CB ALA A 16 11.389 10.190 -0.747 1.00 0.00 C ATOM 0 H ALA A 16 10.448 8.487 1.658 1.00 0.00 H new ATOM 0 HA ALA A 16 10.478 10.648 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.452 11.231 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.329 9.896 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.201 9.557 -1.614 1.00 0.00 H new ATOM 220 N ALA A 17 8.752 10.407 -1.634 1.00 0.00 N ATOM 221 CA ALA A 17 7.490 10.739 -2.288 1.00 0.00 C ATOM 222 C ALA A 17 6.325 9.999 -1.631 1.00 0.00 C ATOM 223 O ALA A 17 5.239 10.554 -1.452 1.00 0.00 O ATOM 224 CB ALA A 17 7.562 10.409 -3.775 1.00 0.00 C ATOM 0 H ALA A 17 9.475 10.071 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 17 7.317 11.809 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.614 10.662 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.364 10.984 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.759 9.345 -3.902 1.00 0.00 H new ATOM 230 N PHE A 18 6.562 8.746 -1.253 1.00 0.00 N ATOM 231 CA PHE A 18 5.548 7.954 -0.565 1.00 0.00 C ATOM 232 C PHE A 18 5.385 8.427 0.870 1.00 0.00 C ATOM 233 O PHE A 18 4.275 8.447 1.400 1.00 0.00 O ATOM 234 CB PHE A 18 5.903 6.463 -0.579 1.00 0.00 C ATOM 235 CG PHE A 18 4.811 5.577 -0.033 1.00 0.00 C ATOM 236 CD1 PHE A 18 3.750 5.191 -0.832 1.00 0.00 C ATOM 237 CD2 PHE A 18 4.840 5.139 1.285 1.00 0.00 C ATOM 238 CE1 PHE A 18 2.741 4.385 -0.338 1.00 0.00 C ATOM 239 CE2 PHE A 18 3.833 4.330 1.785 1.00 0.00 C ATOM 240 CZ PHE A 18 2.783 3.954 0.972 1.00 0.00 C ATOM 0 H PHE A 18 7.444 8.259 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 18 4.607 8.090 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.127 6.161 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.810 6.309 0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.709 5.525 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.657 5.433 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.921 4.093 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.869 3.994 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.996 3.324 1.360 1.00 0.00 H new ATOM 250 N ALA A 19 6.492 8.843 1.476 1.00 0.00 N ATOM 251 CA ALA A 19 6.507 9.211 2.884 1.00 0.00 C ATOM 252 C ALA A 19 5.651 10.437 3.150 1.00 0.00 C ATOM 253 O ALA A 19 5.216 10.652 4.275 1.00 0.00 O ATOM 254 CB ALA A 19 7.929 9.447 3.353 1.00 0.00 C ATOM 0 H ALA A 19 7.394 8.933 1.009 1.00 0.00 H new ATOM 0 HA ALA A 19 6.081 8.381 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.923 9.721 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.513 8.536 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.375 10.253 2.771 1.00 0.00 H new ATOM 260 N LYS A 20 5.395 11.222 2.103 1.00 0.00 N ATOM 261 CA LYS A 20 4.533 12.399 2.202 1.00 0.00 C ATOM 262 C LYS A 20 3.185 12.043 2.827 1.00 0.00 C ATOM 263 O LYS A 20 2.511 12.895 3.406 1.00 0.00 O ATOM 264 CB LYS A 20 4.306 13.004 0.818 1.00 0.00 C ATOM 265 CG LYS A 20 5.345 14.035 0.425 1.00 0.00 C ATOM 266 CD LYS A 20 5.860 13.785 -0.979 1.00 0.00 C ATOM 267 CE LYS A 20 7.330 14.139 -1.100 1.00 0.00 C ATOM 268 NZ LYS A 20 7.536 15.401 -1.859 1.00 0.00 N ATOM 0 H LYS A 20 5.776 11.062 1.170 1.00 0.00 H new ATOM 0 HA LYS A 20 5.033 13.126 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.303 12.204 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.320 13.467 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.911 15.033 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.175 14.006 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.714 12.737 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.282 14.375 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.762 14.239 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.859 13.326 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.553 15.608 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.146 15.297 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.052 16.182 -1.372 1.00 0.00 H new ATOM 282 N GLN A 21 2.810 10.776 2.707 1.00 0.00 N ATOM 283 CA GLN A 21 1.562 10.282 3.267 1.00 0.00 C ATOM 284 C GLN A 21 1.578 10.365 4.793 1.00 0.00 C ATOM 285 O GLN A 21 0.547 10.584 5.422 1.00 0.00 O ATOM 286 CB GLN A 21 1.333 8.832 2.830 1.00 0.00 C ATOM 287 CG GLN A 21 0.131 8.651 1.919 1.00 0.00 C ATOM 288 CD GLN A 21 -0.320 7.207 1.832 1.00 0.00 C ATOM 289 OE1 GLN A 21 -1.276 6.804 2.484 1.00 0.00 O ATOM 290 NE2 GLN A 21 0.365 6.417 1.017 1.00 0.00 N ATOM 0 H GLN A 21 3.360 10.067 2.222 1.00 0.00 H new ATOM 0 HA GLN A 21 0.749 10.907 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.224 8.472 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.203 8.211 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.693 9.264 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.378 9.012 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.155 6.789 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.102 5.437 0.916 1.00 0.00 H new ATOM 299 N ALA A 22 2.761 10.214 5.376 1.00 0.00 N ATOM 300 CA ALA A 22 2.910 10.192 6.826 1.00 0.00 C ATOM 301 C ALA A 22 3.156 11.591 7.376 1.00 0.00 C ATOM 302 O ALA A 22 3.006 11.838 8.576 1.00 0.00 O ATOM 303 CB ALA A 22 4.048 9.260 7.222 1.00 0.00 C ATOM 0 H ALA A 22 3.636 10.104 4.863 1.00 0.00 H new ATOM 0 HA ALA A 22 1.980 9.821 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.150 9.251 8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.832 8.251 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.978 9.609 6.773 1.00 0.00 H new ATOM 309 N GLU A 23 3.545 12.508 6.501 1.00 0.00 N ATOM 310 CA GLU A 23 3.824 13.874 6.919 1.00 0.00 C ATOM 311 C GLU A 23 2.621 14.774 6.670 1.00 0.00 C ATOM 312 O GLU A 23 2.231 15.562 7.535 1.00 0.00 O ATOM 313 CB GLU A 23 5.052 14.445 6.195 1.00 0.00 C ATOM 314 CG GLU A 23 5.791 13.438 5.331 1.00 0.00 C ATOM 315 CD GLU A 23 7.180 13.116 5.844 1.00 0.00 C ATOM 316 OE1 GLU A 23 8.057 14.007 5.816 1.00 0.00 O ATOM 317 OE2 GLU A 23 7.410 11.967 6.269 1.00 0.00 O ATOM 0 H GLU A 23 3.674 12.333 5.504 1.00 0.00 H new ATOM 0 HA GLU A 23 4.035 13.846 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.735 15.280 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.743 14.846 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.208 12.518 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.867 13.827 4.316 1.00 0.00 H new ATOM 324 N GLY A 24 2.025 14.648 5.493 1.00 0.00 N ATOM 325 CA GLY A 24 0.903 15.492 5.139 1.00 0.00 C ATOM 326 C GLY A 24 -0.398 15.004 5.741 1.00 0.00 C ATOM 327 O GLY A 24 -1.234 15.803 6.161 1.00 0.00 O ATOM 0 H GLY A 24 2.299 13.976 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.097 16.510 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.807 15.528 4.054 1.00 0.00 H new ATOM 331 N THR A 25 -0.566 13.691 5.801 1.00 0.00 N ATOM 332 CA THR A 25 -1.797 13.105 6.309 1.00 0.00 C ATOM 333 C THR A 25 -1.551 12.367 7.622 1.00 0.00 C ATOM 334 O THR A 25 -0.438 11.915 7.894 1.00 0.00 O ATOM 335 CB THR A 25 -2.408 12.140 5.276 1.00 0.00 C ATOM 336 OG1 THR A 25 -1.935 12.487 3.969 1.00 0.00 O ATOM 337 CG2 THR A 25 -3.930 12.200 5.303 1.00 0.00 C ATOM 0 H THR A 25 0.135 13.012 5.504 1.00 0.00 H new ATOM 0 HA THR A 25 -2.499 13.918 6.493 1.00 0.00 H new ATOM 0 HB THR A 25 -2.103 11.124 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.320 11.874 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.335 11.509 4.564 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.288 11.921 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.258 13.213 5.070 1.00 0.00 H new ATOM 345 N THR A 26 -2.586 12.269 8.442 1.00 0.00 N ATOM 346 CA THR A 26 -2.489 11.575 9.711 1.00 0.00 C ATOM 347 C THR A 26 -2.808 10.093 9.549 1.00 0.00 C ATOM 348 O THR A 26 -3.973 9.697 9.512 1.00 0.00 O ATOM 349 CB THR A 26 -3.447 12.195 10.741 1.00 0.00 C ATOM 350 OG1 THR A 26 -4.018 13.402 10.208 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.721 12.501 12.043 1.00 0.00 C ATOM 0 H THR A 26 -3.506 12.664 8.247 1.00 0.00 H new ATOM 0 HA THR A 26 -1.464 11.678 10.066 1.00 0.00 H new ATOM 0 HB THR A 26 -4.240 11.477 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.629 13.793 10.867 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.420 12.939 12.755 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.311 11.579 12.456 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.911 13.204 11.851 1.00 0.00 H new ATOM 359 N CYS A 27 -1.765 9.283 9.448 1.00 0.00 N ATOM 360 CA CYS A 27 -1.918 7.840 9.361 1.00 0.00 C ATOM 361 C CYS A 27 -0.908 7.158 10.280 1.00 0.00 C ATOM 362 O CYS A 27 -0.011 7.808 10.820 1.00 0.00 O ATOM 363 CB CYS A 27 -1.756 7.356 7.914 1.00 0.00 C ATOM 364 SG CYS A 27 -3.338 7.114 7.037 1.00 0.00 S ATOM 0 H CYS A 27 -0.797 9.604 9.424 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.924 7.574 9.685 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.153 8.079 7.364 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.204 6.416 7.915 1.00 0.00 H new ATOM 369 N ASN A 28 -1.046 5.850 10.455 1.00 0.00 N ATOM 370 CA ASN A 28 -0.220 5.121 11.413 1.00 0.00 C ATOM 371 C ASN A 28 0.751 4.191 10.701 1.00 0.00 C ATOM 372 O ASN A 28 0.584 3.904 9.517 1.00 0.00 O ATOM 373 CB ASN A 28 -1.103 4.319 12.370 1.00 0.00 C ATOM 374 CG ASN A 28 -0.699 4.497 13.816 1.00 0.00 C ATOM 375 OD1 ASN A 28 0.363 5.043 14.118 1.00 0.00 O ATOM 376 ND2 ASN A 28 -1.547 4.036 14.721 1.00 0.00 N ATOM 0 H ASN A 28 -1.718 5.273 9.950 1.00 0.00 H new ATOM 0 HA ASN A 28 0.357 5.849 11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.141 4.627 12.246 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.050 3.262 12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.332 4.126 15.714 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.416 3.590 14.426 1.00 0.00 H new ATOM 383 N VAL A 29 1.757 3.712 11.431 1.00 0.00 N ATOM 384 CA VAL A 29 2.771 2.828 10.858 1.00 0.00 C ATOM 385 C VAL A 29 2.146 1.535 10.333 1.00 0.00 C ATOM 386 O VAL A 29 2.570 1.003 9.310 1.00 0.00 O ATOM 387 CB VAL A 29 3.894 2.514 11.881 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.608 1.246 12.679 1.00 0.00 C ATOM 389 CG2 VAL A 29 5.237 2.416 11.169 1.00 0.00 C ATOM 0 H VAL A 29 1.892 3.921 12.420 1.00 0.00 H new ATOM 0 HA VAL A 29 3.221 3.355 10.016 1.00 0.00 H new ATOM 0 HB VAL A 29 3.929 3.336 12.596 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.422 1.067 13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.674 1.364 13.228 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.524 0.399 11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.019 2.195 11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.197 1.620 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.457 3.363 10.675 1.00 0.00 H new ATOM 399 N GLY A 30 1.123 1.052 11.027 1.00 0.00 N ATOM 400 CA GLY A 30 0.419 -0.130 10.579 1.00 0.00 C ATOM 401 C GLY A 30 -0.940 0.230 10.033 1.00 0.00 C ATOM 402 O GLY A 30 -1.925 -0.482 10.242 1.00 0.00 O ATOM 0 H GLY A 30 0.769 1.459 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.002 -0.636 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.309 -0.829 11.408 1.00 0.00 H new ATOM 406 N SER A 31 -1.002 1.377 9.374 1.00 0.00 N ATOM 407 CA SER A 31 -2.242 1.863 8.798 1.00 0.00 C ATOM 408 C SER A 31 -1.989 2.620 7.500 1.00 0.00 C ATOM 409 O SER A 31 -2.925 2.934 6.776 1.00 0.00 O ATOM 410 CB SER A 31 -2.986 2.745 9.801 1.00 0.00 C ATOM 411 OG SER A 31 -3.127 2.076 11.044 1.00 0.00 O ATOM 0 H SER A 31 -0.201 1.991 9.225 1.00 0.00 H new ATOM 0 HA SER A 31 -2.866 1.000 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.444 3.680 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.969 3.004 9.407 1.00 0.00 H new ATOM 0 HG SER A 31 -3.604 2.655 11.675 1.00 0.00 H new ATOM 417 N ILE A 32 -0.729 2.892 7.188 1.00 0.00 N ATOM 418 CA ILE A 32 -0.410 3.591 5.958 1.00 0.00 C ATOM 419 C ILE A 32 -0.416 2.591 4.802 1.00 0.00 C ATOM 420 O ILE A 32 0.216 1.533 4.867 1.00 0.00 O ATOM 421 CB ILE A 32 0.930 4.373 6.067 1.00 0.00 C ATOM 422 CG1 ILE A 32 0.729 5.801 5.568 1.00 0.00 C ATOM 423 CG2 ILE A 32 2.067 3.700 5.307 1.00 0.00 C ATOM 424 CD1 ILE A 32 1.453 6.839 6.396 1.00 0.00 C ATOM 0 H ILE A 32 0.076 2.642 7.762 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.171 4.347 5.765 1.00 0.00 H new ATOM 0 HB ILE A 32 1.220 4.383 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.072 5.868 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.337 6.029 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.977 4.289 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.231 2.700 5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.807 3.629 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.265 7.830 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.093 6.800 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.524 6.636 6.379 1.00 0.00 H new ATOM 436 N ALA A 33 -1.188 2.900 3.775 1.00 0.00 N ATOM 437 CA ALA A 33 -1.455 1.937 2.722 1.00 0.00 C ATOM 438 C ALA A 33 -1.672 2.608 1.377 1.00 0.00 C ATOM 439 O ALA A 33 -1.589 3.832 1.250 1.00 0.00 O ATOM 440 CB ALA A 33 -2.678 1.112 3.091 1.00 0.00 C ATOM 0 H ALA A 33 -1.639 3.806 3.648 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.581 1.293 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.880 0.388 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.493 0.586 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.539 1.770 3.209 1.00 0.00 H new ATOM 446 N CYS A 34 -1.934 1.788 0.375 1.00 0.00 N ATOM 447 CA CYS A 34 -2.321 2.269 -0.932 1.00 0.00 C ATOM 448 C CYS A 34 -3.465 1.421 -1.455 1.00 0.00 C ATOM 449 O CYS A 34 -3.500 0.207 -1.239 1.00 0.00 O ATOM 450 CB CYS A 34 -1.144 2.227 -1.905 1.00 0.00 C ATOM 451 SG CYS A 34 -1.372 3.278 -3.379 1.00 0.00 S ATOM 0 H CYS A 34 -1.884 0.772 0.448 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.642 3.307 -0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.241 2.541 -1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.985 1.197 -2.225 1.00 0.00 H new ATOM 456 N CYS A 35 -4.407 2.067 -2.109 1.00 0.00 N ATOM 457 CA CYS A 35 -5.572 1.392 -2.647 1.00 0.00 C ATOM 458 C CYS A 35 -5.667 1.629 -4.143 1.00 0.00 C ATOM 459 O CYS A 35 -5.201 2.648 -4.651 1.00 0.00 O ATOM 460 CB CYS A 35 -6.847 1.895 -1.963 1.00 0.00 C ATOM 461 SG CYS A 35 -7.458 0.822 -0.625 1.00 0.00 S ATOM 0 H CYS A 35 -4.388 3.072 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.469 0.323 -2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.659 2.889 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.630 2.000 -2.714 1.00 0.00 H new ATOM 466 N ASN A 36 -6.260 0.687 -4.845 1.00 0.00 N ATOM 467 CA ASN A 36 -6.470 0.831 -6.275 1.00 0.00 C ATOM 468 C ASN A 36 -7.880 0.390 -6.629 1.00 0.00 C ATOM 469 O ASN A 36 -8.495 -0.360 -5.868 1.00 0.00 O ATOM 470 CB ASN A 36 -5.446 0.010 -7.066 1.00 0.00 C ATOM 471 CG ASN A 36 -5.171 0.600 -8.439 1.00 0.00 C ATOM 472 OD1 ASN A 36 -5.771 1.597 -8.833 1.00 0.00 O ATOM 473 ND2 ASN A 36 -4.254 -0.012 -9.173 1.00 0.00 N ATOM 0 H ASN A 36 -6.606 -0.188 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.339 1.880 -6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.514 -0.044 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.811 -1.011 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.024 0.342 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.778 -0.838 -8.810 1.00 0.00 H new ATOM 480 N SER A 37 -8.384 0.883 -7.757 1.00 0.00 N ATOM 481 CA SER A 37 -9.705 0.512 -8.257 1.00 0.00 C ATOM 482 C SER A 37 -9.903 -1.002 -8.204 1.00 0.00 C ATOM 483 O SER A 37 -9.010 -1.764 -8.576 1.00 0.00 O ATOM 484 CB SER A 37 -9.875 1.027 -9.690 1.00 0.00 C ATOM 485 OG SER A 37 -9.152 2.237 -9.879 1.00 0.00 O ATOM 0 H SER A 37 -7.889 1.550 -8.350 1.00 0.00 H new ATOM 0 HA SER A 37 -10.462 0.969 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.525 0.274 -10.396 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.932 1.193 -9.899 1.00 0.00 H new ATOM 0 HG SER A 37 -8.248 2.032 -10.198 1.00 0.00 H new ATOM 491 N PRO A 38 -11.083 -1.447 -7.731 1.00 0.00 N ATOM 492 CA PRO A 38 -11.385 -2.867 -7.506 1.00 0.00 C ATOM 493 C PRO A 38 -11.058 -3.757 -8.699 1.00 0.00 C ATOM 494 O PRO A 38 -10.560 -4.870 -8.534 1.00 0.00 O ATOM 495 CB PRO A 38 -12.893 -2.874 -7.253 1.00 0.00 C ATOM 496 CG PRO A 38 -13.191 -1.523 -6.708 1.00 0.00 C ATOM 497 CD PRO A 38 -12.222 -0.581 -7.367 1.00 0.00 C ATOM 0 HA PRO A 38 -10.785 -3.268 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.448 -3.061 -8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.172 -3.656 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.220 -1.235 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.074 -1.506 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.660 -0.106 -8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.917 0.218 -6.691 1.00 0.00 H new ATOM 505 N ALA A 39 -11.321 -3.259 -9.902 1.00 0.00 N ATOM 506 CA ALA A 39 -11.094 -4.033 -11.118 1.00 0.00 C ATOM 507 C ALA A 39 -9.604 -4.216 -11.400 1.00 0.00 C ATOM 508 O ALA A 39 -9.216 -4.981 -12.281 1.00 0.00 O ATOM 509 CB ALA A 39 -11.775 -3.356 -12.297 1.00 0.00 C ATOM 0 H ALA A 39 -11.692 -2.322 -10.062 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.525 -5.024 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.601 -3.939 -13.201 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.847 -3.289 -12.109 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.366 -2.354 -12.427 1.00 0.00 H new ATOM 515 N GLU A 40 -8.775 -3.517 -10.639 1.00 0.00 N ATOM 516 CA GLU A 40 -7.332 -3.593 -10.806 1.00 0.00 C ATOM 517 C GLU A 40 -6.706 -4.335 -9.631 1.00 0.00 C ATOM 518 O GLU A 40 -5.735 -5.072 -9.795 1.00 0.00 O ATOM 519 CB GLU A 40 -6.725 -2.191 -10.938 1.00 0.00 C ATOM 520 CG GLU A 40 -7.440 -1.300 -11.944 1.00 0.00 C ATOM 521 CD GLU A 40 -7.036 -1.594 -13.376 1.00 0.00 C ATOM 522 OE1 GLU A 40 -7.413 -2.662 -13.904 1.00 0.00 O ATOM 523 OE2 GLU A 40 -6.341 -0.752 -13.988 1.00 0.00 O ATOM 0 H GLU A 40 -9.079 -2.888 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.119 -4.143 -11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.741 -1.706 -9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.679 -2.285 -11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.517 -1.433 -11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.224 -0.256 -11.717 1.00 0.00 H new ATOM 530 N THR A 41 -7.271 -4.147 -8.444 1.00 0.00 N ATOM 531 CA THR A 41 -6.822 -4.871 -7.266 1.00 0.00 C ATOM 532 C THR A 41 -7.159 -6.345 -7.395 1.00 0.00 C ATOM 533 O THR A 41 -6.355 -7.220 -7.079 1.00 0.00 O ATOM 534 CB THR A 41 -7.490 -4.330 -5.993 1.00 0.00 C ATOM 535 OG1 THR A 41 -8.416 -3.287 -6.327 1.00 0.00 O ATOM 536 CG2 THR A 41 -6.445 -3.814 -5.030 1.00 0.00 C ATOM 0 H THR A 41 -8.040 -3.499 -8.274 1.00 0.00 H new ATOM 0 HA THR A 41 -5.743 -4.736 -7.192 1.00 0.00 H new ATOM 0 HB THR A 41 -8.035 -5.142 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.087 -2.433 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.933 -3.434 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.768 -4.624 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.879 -3.011 -5.503 1.00 0.00 H new ATOM 544 N ASN A 42 -8.361 -6.597 -7.885 1.00 0.00 N ATOM 545 CA ASN A 42 -8.869 -7.947 -8.050 1.00 0.00 C ATOM 546 C ASN A 42 -8.625 -8.438 -9.464 1.00 0.00 C ATOM 547 O ASN A 42 -9.229 -9.412 -9.915 1.00 0.00 O ATOM 548 CB ASN A 42 -10.359 -7.987 -7.729 1.00 0.00 C ATOM 549 CG ASN A 42 -10.627 -8.525 -6.338 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.200 -9.601 -6.168 1.00 0.00 O ATOM 551 ND2 ASN A 42 -10.210 -7.776 -5.329 1.00 0.00 N ATOM 0 H ASN A 42 -9.013 -5.870 -8.180 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.340 -8.605 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.775 -6.983 -7.816 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.871 -8.609 -8.463 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.360 -8.085 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.739 -6.890 -5.512 1.00 0.00 H new ATOM 558 N ASN A 43 -7.747 -7.731 -10.169 1.00 0.00 N ATOM 559 CA ASN A 43 -7.384 -8.091 -11.535 1.00 0.00 C ATOM 560 C ASN A 43 -6.812 -9.499 -11.564 1.00 0.00 C ATOM 561 O ASN A 43 -6.988 -10.237 -12.534 1.00 0.00 O ATOM 562 CB ASN A 43 -6.364 -7.099 -12.099 1.00 0.00 C ATOM 563 CG ASN A 43 -6.459 -6.951 -13.608 1.00 0.00 C ATOM 564 OD1 ASN A 43 -5.702 -7.568 -14.355 1.00 0.00 O ATOM 565 ND2 ASN A 43 -7.376 -6.114 -14.067 1.00 0.00 N ATOM 0 H ASN A 43 -7.272 -6.901 -9.814 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.280 -8.056 -12.155 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.515 -6.125 -11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.359 -7.427 -11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.472 -5.963 -15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.987 -5.620 -13.416 1.00 0.00 H new ATOM 572 N ASP A 44 -6.141 -9.865 -10.482 1.00 0.00 N ATOM 573 CA ASP A 44 -5.634 -11.215 -10.328 1.00 0.00 C ATOM 574 C ASP A 44 -6.448 -11.951 -9.272 1.00 0.00 C ATOM 575 O ASP A 44 -6.745 -11.399 -8.215 1.00 0.00 O ATOM 576 CB ASP A 44 -4.160 -11.198 -9.933 1.00 0.00 C ATOM 577 CG ASP A 44 -3.611 -12.593 -9.728 1.00 0.00 C ATOM 578 OD1 ASP A 44 -3.786 -13.442 -10.624 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.009 -12.851 -8.670 1.00 0.00 O ATOM 0 H ASP A 44 -5.936 -9.244 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.726 -11.733 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.583 -10.692 -10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.037 -10.622 -9.016 1.00 0.00 H new ATOM 584 N SER A 45 -6.804 -13.196 -9.557 1.00 0.00 N ATOM 585 CA SER A 45 -7.639 -13.979 -8.657 1.00 0.00 C ATOM 586 C SER A 45 -6.905 -14.315 -7.359 1.00 0.00 C ATOM 587 O SER A 45 -7.531 -14.548 -6.324 1.00 0.00 O ATOM 588 CB SER A 45 -8.088 -15.252 -9.367 1.00 0.00 C ATOM 589 OG SER A 45 -8.005 -15.087 -10.772 1.00 0.00 O ATOM 0 H SER A 45 -6.526 -13.687 -10.407 1.00 0.00 H new ATOM 0 HA SER A 45 -8.512 -13.385 -8.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.464 -16.090 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.112 -15.493 -9.082 1.00 0.00 H new ATOM 0 HG SER A 45 -7.147 -15.436 -11.092 1.00 0.00 H new ATOM 595 N LEU A 46 -5.580 -14.345 -7.419 1.00 0.00 N ATOM 596 CA LEU A 46 -4.778 -14.613 -6.235 1.00 0.00 C ATOM 597 C LEU A 46 -4.396 -13.316 -5.530 1.00 0.00 C ATOM 598 O LEU A 46 -4.101 -13.319 -4.335 1.00 0.00 O ATOM 599 CB LEU A 46 -3.519 -15.395 -6.602 1.00 0.00 C ATOM 600 CG LEU A 46 -2.915 -16.227 -5.467 1.00 0.00 C ATOM 601 CD1 LEU A 46 -3.622 -17.568 -5.353 1.00 0.00 C ATOM 602 CD2 LEU A 46 -1.423 -16.426 -5.687 1.00 0.00 C ATOM 0 H LEU A 46 -5.041 -14.188 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.381 -15.214 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.753 -16.060 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.765 -14.693 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.055 -15.685 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.179 -18.145 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.680 -17.405 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.515 -18.117 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.011 -17.019 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.261 -16.946 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.927 -15.456 -5.717 1.00 0.00 H new ATOM 614 N LEU A 47 -4.407 -12.217 -6.278 1.00 0.00 N ATOM 615 CA LEU A 47 -4.032 -10.905 -5.758 1.00 0.00 C ATOM 616 C LEU A 47 -4.867 -10.534 -4.543 1.00 0.00 C ATOM 617 O LEU A 47 -4.332 -10.092 -3.528 1.00 0.00 O ATOM 618 CB LEU A 47 -4.193 -9.833 -6.842 1.00 0.00 C ATOM 619 CG LEU A 47 -3.020 -8.853 -6.975 1.00 0.00 C ATOM 620 CD1 LEU A 47 -2.748 -8.145 -5.655 1.00 0.00 C ATOM 621 CD2 LEU A 47 -1.769 -9.577 -7.456 1.00 0.00 C ATOM 0 H LEU A 47 -4.676 -12.210 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.986 -10.956 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.341 -10.329 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.099 -9.263 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.293 -8.100 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.912 -7.456 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.635 -7.589 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.502 -8.882 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.948 -8.865 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.500 -10.354 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.962 -10.030 -8.428 1.00 0.00 H new ATOM 633 N SER A 48 -6.174 -10.732 -4.646 1.00 0.00 N ATOM 634 CA SER A 48 -7.091 -10.407 -3.568 1.00 0.00 C ATOM 635 C SER A 48 -6.787 -11.228 -2.310 1.00 0.00 C ATOM 636 O SER A 48 -7.099 -10.816 -1.192 1.00 0.00 O ATOM 637 CB SER A 48 -8.517 -10.652 -4.047 1.00 0.00 C ATOM 638 OG SER A 48 -8.517 -11.457 -5.216 1.00 0.00 O ATOM 0 H SER A 48 -6.624 -11.120 -5.475 1.00 0.00 H new ATOM 0 HA SER A 48 -6.970 -9.358 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.092 -11.142 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.006 -9.700 -4.254 1.00 0.00 H new ATOM 0 HG SER A 48 -9.440 -11.607 -5.510 1.00 0.00 H new ATOM 644 N GLY A 49 -6.156 -12.378 -2.494 1.00 0.00 N ATOM 645 CA GLY A 49 -5.784 -13.203 -1.364 1.00 0.00 C ATOM 646 C GLY A 49 -4.352 -12.960 -0.940 1.00 0.00 C ATOM 647 O GLY A 49 -3.897 -13.490 0.070 1.00 0.00 O ATOM 0 H GLY A 49 -5.895 -12.754 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.451 -12.996 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.913 -14.254 -1.623 1.00 0.00 H new ATOM 651 N LEU A 50 -3.646 -12.151 -1.718 1.00 0.00 N ATOM 652 CA LEU A 50 -2.257 -11.822 -1.431 1.00 0.00 C ATOM 653 C LEU A 50 -2.184 -10.675 -0.430 1.00 0.00 C ATOM 654 O LEU A 50 -1.270 -10.612 0.391 1.00 0.00 O ATOM 655 CB LEU A 50 -1.526 -11.437 -2.722 1.00 0.00 C ATOM 656 CG LEU A 50 -0.251 -12.228 -3.018 1.00 0.00 C ATOM 657 CD1 LEU A 50 -0.576 -13.698 -3.221 1.00 0.00 C ATOM 658 CD2 LEU A 50 0.449 -11.660 -4.244 1.00 0.00 C ATOM 0 H LEU A 50 -4.016 -11.708 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.773 -12.699 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.213 -11.562 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.273 -10.378 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 50 0.421 -12.140 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.341 -14.248 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.039 -14.096 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.264 -13.806 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.355 -12.232 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.217 -11.723 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.711 -10.617 -4.063 1.00 0.00 H new ATOM 670 N LEU A 51 -3.150 -9.768 -0.513 1.00 0.00 N ATOM 671 CA LEU A 51 -3.221 -8.638 0.407 1.00 0.00 C ATOM 672 C LEU A 51 -3.692 -9.101 1.780 1.00 0.00 C ATOM 673 O LEU A 51 -3.278 -8.564 2.806 1.00 0.00 O ATOM 674 CB LEU A 51 -4.158 -7.548 -0.133 1.00 0.00 C ATOM 675 CG LEU A 51 -5.412 -8.060 -0.837 1.00 0.00 C ATOM 676 CD1 LEU A 51 -6.647 -7.777 0.000 1.00 0.00 C ATOM 677 CD2 LEU A 51 -5.544 -7.431 -2.216 1.00 0.00 C ATOM 0 H LEU A 51 -3.896 -9.793 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.221 -8.215 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.461 -6.909 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.599 -6.923 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.321 -9.139 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.531 -8.149 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.555 -8.276 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.743 -6.702 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.443 -7.808 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.612 -6.348 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.672 -7.687 -2.817 1.00 0.00 H new ATOM 689 N GLY A 52 -4.543 -10.117 1.797 1.00 0.00 N ATOM 690 CA GLY A 52 -5.053 -10.627 3.049 1.00 0.00 C ATOM 691 C GLY A 52 -4.116 -11.637 3.673 1.00 0.00 C ATOM 692 O GLY A 52 -4.431 -12.824 3.740 1.00 0.00 O ATOM 0 H GLY A 52 -4.888 -10.596 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.207 -9.800 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.026 -11.089 2.883 1.00 0.00 H new ATOM 696 N ALA A 53 -2.962 -11.168 4.135 1.00 0.00 N ATOM 697 CA ALA A 53 -1.982 -12.043 4.765 1.00 0.00 C ATOM 698 C ALA A 53 -2.354 -12.268 6.226 1.00 0.00 C ATOM 699 O ALA A 53 -1.567 -12.012 7.134 1.00 0.00 O ATOM 700 CB ALA A 53 -0.583 -11.458 4.643 1.00 0.00 C ATOM 0 H ALA A 53 -2.683 -10.188 4.085 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.985 -13.005 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.134 -12.127 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.327 -11.343 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.552 -10.484 5.132 1.00 0.00 H new ATOM 706 N GLY A 54 -3.572 -12.740 6.430 1.00 0.00 N ATOM 707 CA GLY A 54 -4.107 -12.908 7.761 1.00 0.00 C ATOM 708 C GLY A 54 -5.571 -12.530 7.798 1.00 0.00 C ATOM 709 O GLY A 54 -6.400 -13.202 7.192 1.00 0.00 O ATOM 0 H GLY A 54 -4.209 -13.014 5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.985 -13.943 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.548 -12.290 8.464 1.00 0.00 H new ATOM 713 N LEU A 55 -5.898 -11.451 8.489 1.00 0.00 N ATOM 714 CA LEU A 55 -7.266 -10.954 8.514 1.00 0.00 C ATOM 715 C LEU A 55 -7.311 -9.509 8.026 1.00 0.00 C ATOM 716 O LEU A 55 -7.709 -8.603 8.756 1.00 0.00 O ATOM 717 CB LEU A 55 -7.858 -11.065 9.925 1.00 0.00 C ATOM 718 CG LEU A 55 -9.219 -11.769 10.016 1.00 0.00 C ATOM 719 CD1 LEU A 55 -10.176 -11.244 8.955 1.00 0.00 C ATOM 720 CD2 LEU A 55 -9.049 -13.273 9.879 1.00 0.00 C ATOM 0 H LEU A 55 -5.237 -10.902 9.040 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.869 -11.567 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.149 -11.600 10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.959 -10.061 10.338 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.647 -11.554 10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.133 -11.759 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.326 -10.174 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.756 -11.423 7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.023 -13.757 9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.596 -13.502 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.406 -13.641 10.678 1.00 0.00 H new ATOM 732 N LEU A 56 -6.882 -9.300 6.791 1.00 0.00 N ATOM 733 CA LEU A 56 -6.900 -7.972 6.203 1.00 0.00 C ATOM 734 C LEU A 56 -8.248 -7.704 5.556 1.00 0.00 C ATOM 735 O LEU A 56 -8.847 -8.599 4.960 1.00 0.00 O ATOM 736 CB LEU A 56 -5.782 -7.816 5.171 1.00 0.00 C ATOM 737 CG LEU A 56 -4.728 -6.748 5.493 1.00 0.00 C ATOM 738 CD1 LEU A 56 -4.384 -5.955 4.247 1.00 0.00 C ATOM 739 CD2 LEU A 56 -5.209 -5.811 6.593 1.00 0.00 C ATOM 0 H LEU A 56 -6.519 -10.031 6.179 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.735 -7.245 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.278 -8.776 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.232 -7.578 4.207 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.833 -7.258 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.635 -5.201 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.988 -6.627 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.281 -5.466 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.440 -5.066 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.122 -5.311 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.409 -6.385 7.498 1.00 0.00 H new ATOM 751 N ASN A 57 -8.719 -6.479 5.677 1.00 0.00 N ATOM 752 CA ASN A 57 -10.028 -6.113 5.164 1.00 0.00 C ATOM 753 C ASN A 57 -9.888 -5.163 3.984 1.00 0.00 C ATOM 754 O ASN A 57 -8.777 -4.835 3.568 1.00 0.00 O ATOM 755 CB ASN A 57 -10.868 -5.471 6.266 1.00 0.00 C ATOM 756 CG ASN A 57 -11.995 -6.366 6.751 1.00 0.00 C ATOM 757 OD1 ASN A 57 -11.830 -7.573 6.902 1.00 0.00 O ATOM 758 ND2 ASN A 57 -13.148 -5.771 7.017 1.00 0.00 N ATOM 0 H ASN A 57 -8.214 -5.716 6.128 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.533 -7.017 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.223 -5.220 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.288 -4.535 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.937 -6.319 7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.247 -4.765 6.879 1.00 0.00 H new ATOM 765 N GLY A 58 -11.016 -4.724 3.454 1.00 0.00 N ATOM 766 CA GLY A 58 -10.998 -3.883 2.271 1.00 0.00 C ATOM 767 C GLY A 58 -11.407 -2.460 2.577 1.00 0.00 C ATOM 768 O GLY A 58 -11.267 -2.000 3.706 1.00 0.00 O ATOM 0 H GLY A 58 -11.945 -4.933 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.997 -3.887 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.670 -4.299 1.521 1.00 0.00 H new ATOM 772 N LEU A 59 -11.911 -1.757 1.573 1.00 0.00 N ATOM 773 CA LEU A 59 -12.401 -0.400 1.768 1.00 0.00 C ATOM 774 C LEU A 59 -13.626 -0.396 2.678 1.00 0.00 C ATOM 775 O LEU A 59 -14.417 -1.342 2.676 1.00 0.00 O ATOM 776 CB LEU A 59 -12.746 0.240 0.420 1.00 0.00 C ATOM 777 CG LEU A 59 -12.146 1.630 0.168 1.00 0.00 C ATOM 778 CD1 LEU A 59 -12.944 2.705 0.892 1.00 0.00 C ATOM 779 CD2 LEU A 59 -10.683 1.675 0.591 1.00 0.00 C ATOM 0 H LEU A 59 -11.991 -2.103 0.617 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.613 0.183 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.413 -0.428 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.831 0.313 0.341 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.199 1.828 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.499 3.681 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.973 2.698 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.932 2.507 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.280 2.670 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.604 1.447 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.116 0.940 0.019 1.00 0.00 H new ATOM 791 N SER A 60 -13.759 0.658 3.469 1.00 0.00 N ATOM 792 CA SER A 60 -14.905 0.818 4.353 1.00 0.00 C ATOM 793 C SER A 60 -16.191 1.004 3.546 1.00 0.00 C ATOM 794 O SER A 60 -16.533 2.116 3.143 1.00 0.00 O ATOM 795 CB SER A 60 -14.666 2.005 5.292 1.00 0.00 C ATOM 796 OG SER A 60 -13.497 1.799 6.071 1.00 0.00 O ATOM 0 H SER A 60 -13.083 1.420 3.517 1.00 0.00 H new ATOM 0 HA SER A 60 -15.022 -0.085 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.565 2.921 4.710 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.527 2.137 5.947 1.00 0.00 H new ATOM 0 HG SER A 60 -12.746 1.575 5.482 1.00 0.00 H new ATOM 802 N GLY A 61 -16.878 -0.106 3.294 1.00 0.00 N ATOM 803 CA GLY A 61 -18.097 -0.075 2.513 1.00 0.00 C ATOM 804 C GLY A 61 -17.913 -0.720 1.153 1.00 0.00 C ATOM 805 O GLY A 61 -18.587 -1.695 0.821 1.00 0.00 O ATOM 0 H GLY A 61 -16.607 -1.033 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.889 -0.591 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.420 0.958 2.384 1.00 0.00 H new ATOM 809 N ASN A 62 -16.981 -0.185 0.378 1.00 0.00 N ATOM 810 CA ASN A 62 -16.699 -0.698 -0.960 1.00 0.00 C ATOM 811 C ASN A 62 -15.994 -2.046 -0.880 1.00 0.00 C ATOM 812 O ASN A 62 -14.782 -2.118 -0.659 1.00 0.00 O ATOM 813 CB ASN A 62 -15.830 0.297 -1.736 1.00 0.00 C ATOM 814 CG ASN A 62 -15.888 0.092 -3.241 1.00 0.00 C ATOM 815 OD1 ASN A 62 -16.123 -1.015 -3.731 1.00 0.00 O ATOM 816 ND2 ASN A 62 -15.665 1.165 -3.989 1.00 0.00 N ATOM 0 H ASN A 62 -16.403 0.609 0.653 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.646 -0.829 -1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.152 1.312 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.796 0.205 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.685 1.091 -5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.474 2.064 -3.547 1.00 0.00 H new ATOM 823 N THR A 63 -16.755 -3.118 -1.054 1.00 0.00 N ATOM 824 CA THR A 63 -16.189 -4.456 -1.020 1.00 0.00 C ATOM 825 C THR A 63 -15.563 -4.808 -2.366 1.00 0.00 C ATOM 826 O THR A 63 -16.070 -5.654 -3.110 1.00 0.00 O ATOM 827 CB THR A 63 -17.257 -5.501 -0.658 1.00 0.00 C ATOM 828 OG1 THR A 63 -18.517 -4.852 -0.436 1.00 0.00 O ATOM 829 CG2 THR A 63 -16.853 -6.274 0.590 1.00 0.00 C ATOM 0 H THR A 63 -17.761 -3.086 -1.219 1.00 0.00 H new ATOM 0 HA THR A 63 -15.416 -4.468 -0.251 1.00 0.00 H new ATOM 0 HB THR A 63 -17.349 -6.202 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 63 -18.948 -4.671 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.623 -7.008 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.907 -6.785 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.740 -5.583 1.425 1.00 0.00 H new ATOM 837 N GLY A 64 -14.453 -4.151 -2.662 1.00 0.00 N ATOM 838 CA GLY A 64 -13.750 -4.377 -3.902 1.00 0.00 C ATOM 839 C GLY A 64 -12.367 -3.767 -3.875 1.00 0.00 C ATOM 840 O GLY A 64 -11.372 -4.452 -4.123 1.00 0.00 O ATOM 0 H GLY A 64 -14.023 -3.455 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.673 -5.448 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.320 -3.951 -4.727 1.00 0.00 H new ATOM 844 N SER A 65 -12.305 -2.475 -3.574 1.00 0.00 N ATOM 845 CA SER A 65 -11.040 -1.788 -3.413 1.00 0.00 C ATOM 846 C SER A 65 -10.338 -2.291 -2.157 1.00 0.00 C ATOM 847 O SER A 65 -10.883 -2.212 -1.053 1.00 0.00 O ATOM 848 CB SER A 65 -11.276 -0.277 -3.332 1.00 0.00 C ATOM 849 OG SER A 65 -12.573 0.054 -3.808 1.00 0.00 O ATOM 0 H SER A 65 -13.125 -1.884 -3.437 1.00 0.00 H new ATOM 0 HA SER A 65 -10.403 -1.993 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.165 0.059 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.522 0.246 -3.921 1.00 0.00 H new ATOM 0 HG SER A 65 -12.706 1.023 -3.747 1.00 0.00 H new ATOM 855 N ALA A 66 -9.150 -2.838 -2.332 1.00 0.00 N ATOM 856 CA ALA A 66 -8.400 -3.383 -1.218 1.00 0.00 C ATOM 857 C ALA A 66 -7.116 -2.602 -1.007 1.00 0.00 C ATOM 858 O ALA A 66 -6.472 -2.180 -1.970 1.00 0.00 O ATOM 859 CB ALA A 66 -8.102 -4.855 -1.448 1.00 0.00 C ATOM 0 H ALA A 66 -8.684 -2.916 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.006 -3.293 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.538 -5.249 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.038 -5.405 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.516 -4.969 -2.360 1.00 0.00 H new ATOM 865 N CYS A 67 -6.751 -2.410 0.248 1.00 0.00 N ATOM 866 CA CYS A 67 -5.562 -1.650 0.584 1.00 0.00 C ATOM 867 C CYS A 67 -4.492 -2.560 1.163 1.00 0.00 C ATOM 868 O CYS A 67 -4.750 -3.327 2.093 1.00 0.00 O ATOM 869 CB CYS A 67 -5.909 -0.551 1.592 1.00 0.00 C ATOM 870 SG CYS A 67 -6.112 1.106 0.865 1.00 0.00 S ATOM 0 H CYS A 67 -7.263 -2.771 1.053 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.176 -1.193 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.831 -0.824 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.125 -0.508 2.348 1.00 0.00 H new ATOM 875 N ALA A 68 -3.291 -2.474 0.618 1.00 0.00 N ATOM 876 CA ALA A 68 -2.168 -3.231 1.143 1.00 0.00 C ATOM 877 C ALA A 68 -1.161 -2.285 1.773 1.00 0.00 C ATOM 878 O ALA A 68 -0.914 -1.191 1.258 1.00 0.00 O ATOM 879 CB ALA A 68 -1.522 -4.077 0.057 1.00 0.00 C ATOM 0 H ALA A 68 -3.069 -1.888 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.534 -3.914 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.684 -4.633 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.256 -4.776 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.162 -3.430 -0.743 1.00 0.00 H new ATOM 885 N LYS A 69 -0.595 -2.698 2.892 1.00 0.00 N ATOM 886 CA LYS A 69 0.300 -1.844 3.656 1.00 0.00 C ATOM 887 C LYS A 69 1.744 -2.114 3.270 1.00 0.00 C ATOM 888 O LYS A 69 2.021 -3.033 2.500 1.00 0.00 O ATOM 889 CB LYS A 69 0.105 -2.081 5.156 1.00 0.00 C ATOM 890 CG LYS A 69 -1.036 -1.279 5.765 1.00 0.00 C ATOM 891 CD LYS A 69 -2.381 -1.652 5.157 1.00 0.00 C ATOM 892 CE LYS A 69 -2.959 -2.909 5.785 1.00 0.00 C ATOM 893 NZ LYS A 69 -3.109 -2.765 7.251 1.00 0.00 N ATOM 0 H LYS A 69 -0.739 -3.624 3.295 1.00 0.00 H new ATOM 0 HA LYS A 69 0.065 -0.804 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.079 -3.142 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.030 -1.831 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.065 -1.449 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.852 -0.215 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.080 -0.826 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.265 -1.803 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.929 -3.126 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.310 -3.757 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.553 -3.621 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.173 -2.633 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.707 -1.940 7.459 1.00 0.00 H new ATOM 907 N ALA A 70 2.659 -1.323 3.815 1.00 0.00 N ATOM 908 CA ALA A 70 4.076 -1.490 3.527 1.00 0.00 C ATOM 909 C ALA A 70 4.574 -2.854 3.993 1.00 0.00 C ATOM 910 O ALA A 70 5.467 -3.437 3.383 1.00 0.00 O ATOM 911 CB ALA A 70 4.887 -0.380 4.170 1.00 0.00 C ATOM 0 H ALA A 70 2.445 -0.561 4.458 1.00 0.00 H new ATOM 0 HA ALA A 70 4.207 -1.434 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.943 -0.523 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.559 0.583 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.742 -0.402 5.250 1.00 0.00 H new ATOM 917 N SER A 71 3.975 -3.370 5.064 1.00 0.00 N ATOM 918 CA SER A 71 4.330 -4.686 5.572 1.00 0.00 C ATOM 919 C SER A 71 3.913 -5.753 4.564 1.00 0.00 C ATOM 920 O SER A 71 4.615 -6.743 4.362 1.00 0.00 O ATOM 921 CB SER A 71 3.663 -4.934 6.932 1.00 0.00 C ATOM 922 OG SER A 71 2.536 -5.785 6.807 1.00 0.00 O ATOM 0 H SER A 71 3.244 -2.895 5.593 1.00 0.00 H new ATOM 0 HA SER A 71 5.410 -4.736 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.384 -5.381 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.356 -3.983 7.368 1.00 0.00 H new ATOM 0 HG SER A 71 1.777 -5.395 7.289 1.00 0.00 H new ATOM 928 N LEU A 72 2.778 -5.518 3.914 1.00 0.00 N ATOM 929 CA LEU A 72 2.264 -6.430 2.904 1.00 0.00 C ATOM 930 C LEU A 72 3.060 -6.299 1.613 1.00 0.00 C ATOM 931 O LEU A 72 3.293 -7.284 0.910 1.00 0.00 O ATOM 932 CB LEU A 72 0.787 -6.148 2.638 1.00 0.00 C ATOM 933 CG LEU A 72 -0.163 -7.314 2.911 1.00 0.00 C ATOM 934 CD1 LEU A 72 0.486 -8.637 2.532 1.00 0.00 C ATOM 935 CD2 LEU A 72 -0.594 -7.326 4.374 1.00 0.00 C ATOM 0 H LEU A 72 2.194 -4.697 4.072 1.00 0.00 H new ATOM 0 HA LEU A 72 2.367 -7.449 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.480 -5.301 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.674 -5.846 1.597 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.052 -7.181 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.207 -9.453 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.737 -8.628 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.394 -8.778 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.270 -8.163 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.284 -7.430 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.105 -6.393 4.610 1.00 0.00 H new ATOM 947 N ILE A 73 3.472 -5.078 1.303 1.00 0.00 N ATOM 948 CA ILE A 73 4.316 -4.829 0.145 1.00 0.00 C ATOM 949 C ILE A 73 5.638 -5.577 0.303 1.00 0.00 C ATOM 950 O ILE A 73 6.129 -6.211 -0.630 1.00 0.00 O ATOM 951 CB ILE A 73 4.560 -3.312 -0.054 1.00 0.00 C ATOM 952 CG1 ILE A 73 3.388 -2.696 -0.822 1.00 0.00 C ATOM 953 CG2 ILE A 73 5.870 -3.049 -0.787 1.00 0.00 C ATOM 954 CD1 ILE A 73 2.926 -1.367 -0.267 1.00 0.00 C ATOM 0 H ILE A 73 3.234 -4.243 1.839 1.00 0.00 H new ATOM 0 HA ILE A 73 3.805 -5.196 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 73 4.633 -2.847 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.678 -2.563 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.551 -3.394 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.009 -1.975 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.699 -3.459 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.840 -3.525 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.093 -0.993 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.603 -1.497 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.748 -0.652 -0.303 1.00 0.00 H new ATOM 966 N ASP A 74 6.168 -5.538 1.518 1.00 0.00 N ATOM 967 CA ASP A 74 7.400 -6.247 1.857 1.00 0.00 C ATOM 968 C ASP A 74 7.138 -7.738 2.048 1.00 0.00 C ATOM 969 O ASP A 74 8.063 -8.532 2.209 1.00 0.00 O ATOM 970 CB ASP A 74 8.001 -5.652 3.133 1.00 0.00 C ATOM 971 CG ASP A 74 9.509 -5.790 3.190 1.00 0.00 C ATOM 972 OD1 ASP A 74 10.173 -5.575 2.155 1.00 0.00 O ATOM 973 OD2 ASP A 74 10.038 -6.100 4.280 1.00 0.00 O ATOM 0 H ASP A 74 5.760 -5.017 2.295 1.00 0.00 H new ATOM 0 HA ASP A 74 8.105 -6.130 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.734 -4.597 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.562 -6.145 4.000 1.00 0.00 H new ATOM 978 N GLN A 75 5.867 -8.110 2.032 1.00 0.00 N ATOM 979 CA GLN A 75 5.467 -9.488 2.264 1.00 0.00 C ATOM 980 C GLN A 75 5.285 -10.255 0.957 1.00 0.00 C ATOM 981 O GLN A 75 5.879 -11.312 0.763 1.00 0.00 O ATOM 982 CB GLN A 75 4.158 -9.523 3.054 1.00 0.00 C ATOM 983 CG GLN A 75 4.116 -10.589 4.134 1.00 0.00 C ATOM 984 CD GLN A 75 5.259 -10.469 5.124 1.00 0.00 C ATOM 985 OE1 GLN A 75 5.755 -11.474 5.632 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.671 -9.244 5.413 1.00 0.00 N ATOM 0 H GLN A 75 5.091 -7.471 1.859 1.00 0.00 H new ATOM 0 HA GLN A 75 6.263 -9.969 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.997 -8.548 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.332 -9.689 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.169 -10.520 4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.147 -11.574 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.230 -8.439 4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.429 -9.105 6.081 1.00 0.00 H new ATOM 995 N LEU A 76 4.457 -9.721 0.062 1.00 0.00 N ATOM 996 CA LEU A 76 4.100 -10.450 -1.156 1.00 0.00 C ATOM 997 C LEU A 76 4.436 -9.670 -2.425 1.00 0.00 C ATOM 998 O LEU A 76 4.299 -10.198 -3.528 1.00 0.00 O ATOM 999 CB LEU A 76 2.608 -10.798 -1.148 1.00 0.00 C ATOM 1000 CG LEU A 76 2.242 -12.146 -0.513 1.00 0.00 C ATOM 1001 CD1 LEU A 76 3.311 -13.197 -0.788 1.00 0.00 C ATOM 1002 CD2 LEU A 76 2.026 -11.986 0.983 1.00 0.00 C ATOM 0 H LEU A 76 4.026 -8.801 0.153 1.00 0.00 H new ATOM 0 HA LEU A 76 4.695 -11.363 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.073 -10.010 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.247 -10.792 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 76 1.312 -12.489 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.022 -14.140 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.414 -13.338 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.263 -12.866 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.767 -12.951 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.940 -11.613 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.216 -11.279 1.160 1.00 0.00 H new ATOM 1014 N GLY A 77 4.867 -8.423 -2.271 1.00 0.00 N ATOM 1015 CA GLY A 77 5.206 -7.608 -3.428 1.00 0.00 C ATOM 1016 C GLY A 77 3.998 -7.295 -4.294 1.00 0.00 C ATOM 1017 O GLY A 77 4.029 -7.482 -5.510 1.00 0.00 O ATOM 0 H GLY A 77 4.988 -7.961 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.659 -6.675 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.954 -8.127 -4.027 1.00 0.00 H new ATOM 1021 N LEU A 78 2.930 -6.822 -3.663 1.00 0.00 N ATOM 1022 CA LEU A 78 1.675 -6.544 -4.362 1.00 0.00 C ATOM 1023 C LEU A 78 1.798 -5.327 -5.267 1.00 0.00 C ATOM 1024 O LEU A 78 1.648 -4.190 -4.817 1.00 0.00 O ATOM 1025 CB LEU A 78 0.543 -6.308 -3.362 1.00 0.00 C ATOM 1026 CG LEU A 78 0.129 -7.530 -2.548 1.00 0.00 C ATOM 1027 CD1 LEU A 78 0.792 -7.504 -1.179 1.00 0.00 C ATOM 1028 CD2 LEU A 78 -1.385 -7.584 -2.414 1.00 0.00 C ATOM 0 H LEU A 78 2.905 -6.621 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 78 1.449 -7.416 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.846 -5.519 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.328 -5.940 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 78 0.460 -8.428 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.487 -8.382 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.875 -7.508 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.490 -6.603 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.668 -8.461 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.738 -6.684 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.836 -7.646 -3.404 1.00 0.00 H new ATOM 1040 N LEU A 79 2.038 -5.564 -6.547 1.00 0.00 N ATOM 1041 CA LEU A 79 2.170 -4.476 -7.509 1.00 0.00 C ATOM 1042 C LEU A 79 0.810 -4.063 -8.071 1.00 0.00 C ATOM 1043 O LEU A 79 0.727 -3.411 -9.112 1.00 0.00 O ATOM 1044 CB LEU A 79 3.109 -4.877 -8.650 1.00 0.00 C ATOM 1045 CG LEU A 79 3.345 -6.382 -8.814 1.00 0.00 C ATOM 1046 CD1 LEU A 79 2.566 -6.921 -10.004 1.00 0.00 C ATOM 1047 CD2 LEU A 79 4.832 -6.673 -8.976 1.00 0.00 C ATOM 0 H LEU A 79 2.145 -6.497 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 79 2.595 -3.621 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.704 -4.487 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.072 -4.391 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 79 2.989 -6.885 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.747 -7.991 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.501 -6.746 -9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.891 -6.413 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.982 -7.746 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.210 -6.157 -9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.369 -6.324 -8.094 1.00 0.00 H new ATOM 1059 N ALA A 80 -0.256 -4.436 -7.373 1.00 0.00 N ATOM 1060 CA ALA A 80 -1.603 -4.088 -7.799 1.00 0.00 C ATOM 1061 C ALA A 80 -1.954 -2.668 -7.382 1.00 0.00 C ATOM 1062 O ALA A 80 -2.779 -2.013 -8.014 1.00 0.00 O ATOM 1063 CB ALA A 80 -2.616 -5.073 -7.234 1.00 0.00 C ATOM 0 H ALA A 80 -0.212 -4.979 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.637 -4.143 -8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.617 -4.795 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.383 -6.077 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.575 -5.053 -6.145 1.00 0.00 H new ATOM 1069 N LEU A 81 -1.320 -2.192 -6.318 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.602 -0.856 -5.804 1.00 0.00 C ATOM 1071 C LEU A 81 -0.337 -0.024 -5.682 1.00 0.00 C ATOM 1072 O LEU A 81 -0.394 1.154 -5.340 1.00 0.00 O ATOM 1073 CB LEU A 81 -2.277 -0.940 -4.445 1.00 0.00 C ATOM 1074 CG LEU A 81 -1.925 -2.182 -3.637 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -1.272 -1.792 -2.323 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -3.174 -3.010 -3.413 1.00 0.00 C ATOM 0 H LEU A 81 -0.611 -2.707 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.269 -0.371 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.008 -0.057 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.357 -0.910 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.207 -2.786 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.027 -2.691 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.360 -1.229 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.960 -1.176 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.922 -3.899 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.910 -2.419 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.590 -3.309 -4.375 1.00 0.00 H new ATOM 1088 N VAL A 82 0.802 -0.631 -5.959 1.00 0.00 N ATOM 1089 CA VAL A 82 2.060 0.070 -5.825 1.00 0.00 C ATOM 1090 C VAL A 82 2.609 0.454 -7.189 1.00 0.00 C ATOM 1091 O VAL A 82 2.465 -0.285 -8.168 1.00 0.00 O ATOM 1092 CB VAL A 82 3.099 -0.757 -5.023 1.00 0.00 C ATOM 1093 CG1 VAL A 82 3.822 -1.765 -5.907 1.00 0.00 C ATOM 1094 CG2 VAL A 82 4.094 0.165 -4.337 1.00 0.00 C ATOM 0 H VAL A 82 0.880 -1.598 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 82 1.868 0.982 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 82 2.558 -1.320 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.541 -2.324 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.097 -2.454 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.346 -1.239 -6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.816 -0.430 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.616 0.759 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.564 0.828 -3.653 1.00 0.00 H new ATOM 1104 N ASP A 83 3.185 1.636 -7.252 1.00 0.00 N ATOM 1105 CA ASP A 83 3.814 2.120 -8.466 1.00 0.00 C ATOM 1106 C ASP A 83 5.215 2.610 -8.149 1.00 0.00 C ATOM 1107 O ASP A 83 5.616 2.649 -6.982 1.00 0.00 O ATOM 1108 CB ASP A 83 2.988 3.251 -9.085 1.00 0.00 C ATOM 1109 CG ASP A 83 3.091 3.294 -10.600 1.00 0.00 C ATOM 1110 OD1 ASP A 83 4.171 2.984 -11.142 1.00 0.00 O ATOM 1111 OD2 ASP A 83 2.083 3.633 -11.258 1.00 0.00 O ATOM 0 H ASP A 83 3.231 2.287 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 83 3.870 1.303 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.943 3.130 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.322 4.204 -8.675 1.00 0.00 H new ATOM 1116 N HIS A 84 5.957 2.987 -9.169 1.00 0.00 N ATOM 1117 CA HIS A 84 7.315 3.458 -8.979 1.00 0.00 C ATOM 1118 C HIS A 84 7.567 4.728 -9.770 1.00 0.00 C ATOM 1119 O HIS A 84 7.671 4.700 -10.994 1.00 0.00 O ATOM 1120 CB HIS A 84 8.329 2.384 -9.381 1.00 0.00 C ATOM 1121 CG HIS A 84 9.587 2.438 -8.573 1.00 0.00 C ATOM 1122 ND1 HIS A 84 9.866 1.554 -7.557 1.00 0.00 N ATOM 1123 CD2 HIS A 84 10.641 3.284 -8.631 1.00 0.00 C ATOM 1124 CE1 HIS A 84 11.027 1.861 -7.014 1.00 0.00 C ATOM 1125 NE2 HIS A 84 11.523 2.906 -7.646 1.00 0.00 N ATOM 0 H HIS A 84 5.643 2.977 -10.140 1.00 0.00 H new ATOM 0 HA HIS A 84 7.440 3.678 -7.919 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.873 1.401 -9.268 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.576 2.502 -10.436 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.766 4.104 -9.323 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.494 1.343 -6.189 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.413 3.359 -7.439 1.00 0.00 H new ATOM 1134 N THR A 85 7.665 5.839 -9.061 1.00 0.00 N ATOM 1135 CA THR A 85 8.034 7.103 -9.669 1.00 0.00 C ATOM 1136 C THR A 85 9.545 7.147 -9.853 1.00 0.00 C ATOM 1137 O THR A 85 10.221 6.130 -9.679 1.00 0.00 O ATOM 1138 CB THR A 85 7.586 8.279 -8.784 1.00 0.00 C ATOM 1139 OG1 THR A 85 7.966 8.027 -7.422 1.00 0.00 O ATOM 1140 CG2 THR A 85 6.079 8.470 -8.865 1.00 0.00 C ATOM 0 H THR A 85 7.493 5.890 -8.057 1.00 0.00 H new ATOM 0 HA THR A 85 7.539 7.190 -10.636 1.00 0.00 H new ATOM 0 HB THR A 85 8.071 9.188 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.682 8.777 -6.859 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.784 9.307 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.793 8.677 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.579 7.563 -8.525 1.00 0.00 H new ATOM 1148 N GLU A 86 10.090 8.307 -10.183 1.00 0.00 N ATOM 1149 CA GLU A 86 11.540 8.466 -10.245 1.00 0.00 C ATOM 1150 C GLU A 86 12.126 8.563 -8.837 1.00 0.00 C ATOM 1151 O GLU A 86 13.169 9.173 -8.624 1.00 0.00 O ATOM 1152 CB GLU A 86 11.918 9.704 -11.062 1.00 0.00 C ATOM 1153 CG GLU A 86 11.177 9.815 -12.385 1.00 0.00 C ATOM 1154 CD GLU A 86 10.018 10.785 -12.318 1.00 0.00 C ATOM 1155 OE1 GLU A 86 9.174 10.644 -11.407 1.00 0.00 O ATOM 1156 OE2 GLU A 86 9.953 11.700 -13.168 1.00 0.00 O ATOM 0 H GLU A 86 9.559 9.147 -10.411 1.00 0.00 H new ATOM 0 HA GLU A 86 11.957 7.589 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.717 10.595 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.990 9.686 -11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.871 10.136 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.808 8.831 -12.675 1.00 0.00 H new ATOM 1163 N GLU A 87 11.443 7.945 -7.883 1.00 0.00 N ATOM 1164 CA GLU A 87 11.864 7.938 -6.497 1.00 0.00 C ATOM 1165 C GLU A 87 11.939 6.500 -5.995 1.00 0.00 C ATOM 1166 O GLU A 87 12.887 5.774 -6.301 1.00 0.00 O ATOM 1167 CB GLU A 87 10.889 8.748 -5.643 1.00 0.00 C ATOM 1168 CG GLU A 87 11.046 10.249 -5.802 1.00 0.00 C ATOM 1169 CD GLU A 87 11.571 10.907 -4.546 1.00 0.00 C ATOM 1170 OE1 GLU A 87 10.792 11.057 -3.589 1.00 0.00 O ATOM 1171 OE2 GLU A 87 12.765 11.273 -4.515 1.00 0.00 O ATOM 0 H GLU A 87 10.578 7.433 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 87 12.850 8.396 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.869 8.468 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.032 8.485 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.725 10.455 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.083 10.687 -6.064 1.00 0.00 H new ATOM 1178 N GLY A 88 10.922 6.087 -5.255 1.00 0.00 N ATOM 1179 CA GLY A 88 10.867 4.732 -4.755 1.00 0.00 C ATOM 1180 C GLY A 88 9.486 4.140 -4.935 1.00 0.00 C ATOM 1181 O GLY A 88 8.722 4.615 -5.780 1.00 0.00 O ATOM 0 H GLY A 88 10.129 6.672 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.600 4.118 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.136 4.720 -3.699 1.00 0.00 H new ATOM 1185 N PRO A 89 9.138 3.098 -4.167 1.00 0.00 N ATOM 1186 CA PRO A 89 7.800 2.504 -4.204 1.00 0.00 C ATOM 1187 C PRO A 89 6.762 3.453 -3.620 1.00 0.00 C ATOM 1188 O PRO A 89 6.828 3.823 -2.445 1.00 0.00 O ATOM 1189 CB PRO A 89 7.922 1.239 -3.339 1.00 0.00 C ATOM 1190 CG PRO A 89 9.385 1.046 -3.111 1.00 0.00 C ATOM 1191 CD PRO A 89 10.011 2.410 -3.207 1.00 0.00 C ATOM 0 HA PRO A 89 7.474 2.288 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.391 1.358 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.487 0.376 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.571 0.601 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.809 0.371 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.030 2.916 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.041 2.359 -3.560 1.00 0.00 H new ATOM 1199 N VAL A 90 5.812 3.855 -4.443 1.00 0.00 N ATOM 1200 CA VAL A 90 4.851 4.861 -4.044 1.00 0.00 C ATOM 1201 C VAL A 90 3.421 4.410 -4.306 1.00 0.00 C ATOM 1202 O VAL A 90 3.183 3.382 -4.941 1.00 0.00 O ATOM 1203 CB VAL A 90 5.094 6.194 -4.776 1.00 0.00 C ATOM 1204 CG1 VAL A 90 6.231 6.971 -4.126 1.00 0.00 C ATOM 1205 CG2 VAL A 90 5.388 5.946 -6.249 1.00 0.00 C ATOM 0 H VAL A 90 5.687 3.500 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 90 4.988 5.007 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 90 4.188 6.795 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.383 7.908 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.979 7.183 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.145 6.379 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.557 6.898 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.278 5.323 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.540 5.439 -6.709 1.00 0.00 H new ATOM 1215 N CYS A 91 2.478 5.189 -3.799 1.00 0.00 N ATOM 1216 CA CYS A 91 1.065 4.924 -4.000 1.00 0.00 C ATOM 1217 C CYS A 91 0.696 5.128 -5.461 1.00 0.00 C ATOM 1218 O CYS A 91 0.844 6.228 -5.995 1.00 0.00 O ATOM 1219 CB CYS A 91 0.226 5.845 -3.114 1.00 0.00 C ATOM 1220 SG CYS A 91 -1.396 5.169 -2.637 1.00 0.00 S ATOM 0 H CYS A 91 2.671 6.019 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 91 0.860 3.889 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.791 6.070 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.072 6.789 -3.637 1.00 0.00 H new ATOM 1225 N LYS A 92 0.226 4.065 -6.095 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.142 4.108 -7.501 1.00 0.00 C ATOM 1227 C LYS A 92 -1.386 4.956 -7.716 1.00 0.00 C ATOM 1228 O LYS A 92 -1.552 5.570 -8.769 1.00 0.00 O ATOM 1229 CB LYS A 92 -0.405 2.694 -8.011 1.00 0.00 C ATOM 1230 CG LYS A 92 -0.517 2.591 -9.520 1.00 0.00 C ATOM 1231 CD LYS A 92 -0.086 1.223 -10.003 1.00 0.00 C ATOM 1232 CE LYS A 92 -0.411 1.029 -11.472 1.00 0.00 C ATOM 1233 NZ LYS A 92 0.429 1.889 -12.345 1.00 0.00 N ATOM 0 H LYS A 92 0.090 3.156 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 92 0.685 4.555 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.399 2.041 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.327 2.323 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.546 2.781 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.101 3.357 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.986 1.101 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.584 0.453 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.262 -0.017 -11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.463 1.256 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.125 2.711 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.261 2.216 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.740 1.343 -13.174 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.254 4.989 -6.716 1.00 0.00 N ATOM 1248 CA ASN A 93 -3.543 5.650 -6.863 1.00 0.00 C ATOM 1249 C ASN A 93 -4.074 6.167 -5.532 1.00 0.00 C ATOM 1250 O ASN A 93 -3.568 7.147 -4.981 1.00 0.00 O ATOM 1251 CB ASN A 93 -4.555 4.683 -7.479 1.00 0.00 C ATOM 1252 CG ASN A 93 -4.987 5.094 -8.871 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -5.957 5.832 -9.044 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -4.264 4.623 -9.872 1.00 0.00 N ATOM 0 H ASN A 93 -2.092 4.569 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.399 6.508 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.119 3.685 -7.519 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.432 4.623 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.502 4.869 -10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.468 4.014 -9.684 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.070 5.476 -5.008 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.844 5.959 -3.878 1.00 0.00 C ATOM 1263 C ILE A 94 -5.083 5.807 -2.564 1.00 0.00 C ATOM 1264 O ILE A 94 -4.612 4.723 -2.234 1.00 0.00 O ATOM 1265 CB ILE A 94 -7.184 5.198 -3.793 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -7.971 5.377 -5.091 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -8.007 5.661 -2.606 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -8.446 4.075 -5.688 1.00 0.00 C ATOM 0 H ILE A 94 -5.366 4.563 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.032 7.021 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.965 4.140 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.833 6.016 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.345 5.895 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.944 5.106 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.450 5.485 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.219 6.726 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.997 4.276 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.587 3.442 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.098 3.565 -4.978 1.00 0.00 H new ATOM 1280 N VAL A 95 -4.965 6.904 -1.824 1.00 0.00 N ATOM 1281 CA VAL A 95 -4.344 6.880 -0.503 1.00 0.00 C ATOM 1282 C VAL A 95 -5.418 6.648 0.558 1.00 0.00 C ATOM 1283 O VAL A 95 -6.475 7.288 0.537 1.00 0.00 O ATOM 1284 CB VAL A 95 -3.536 8.185 -0.210 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -3.824 9.260 -1.254 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -3.799 8.726 1.194 1.00 0.00 C ATOM 0 H VAL A 95 -5.292 7.825 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.627 6.059 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.481 7.916 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.247 10.156 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.544 8.893 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.887 9.501 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.215 9.633 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.859 8.954 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.511 7.978 1.932 1.00 0.00 H new ATOM 1296 N ALA A 96 -5.157 5.719 1.466 1.00 0.00 N ATOM 1297 CA ALA A 96 -6.131 5.351 2.478 1.00 0.00 C ATOM 1298 C ALA A 96 -5.442 4.822 3.732 1.00 0.00 C ATOM 1299 O ALA A 96 -4.296 4.378 3.675 1.00 0.00 O ATOM 1300 CB ALA A 96 -7.087 4.308 1.921 1.00 0.00 C ATOM 0 H ALA A 96 -4.277 5.207 1.521 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.695 6.242 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.815 4.037 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.606 4.717 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.526 3.422 1.623 1.00 0.00 H new ATOM 1306 N CYS A 97 -6.150 4.861 4.854 1.00 0.00 N ATOM 1307 CA CYS A 97 -5.609 4.379 6.117 1.00 0.00 C ATOM 1308 C CYS A 97 -6.244 3.043 6.480 1.00 0.00 C ATOM 1309 O CYS A 97 -7.456 2.953 6.692 1.00 0.00 O ATOM 1310 CB CYS A 97 -5.840 5.401 7.232 1.00 0.00 C ATOM 1311 SG CYS A 97 -4.346 5.791 8.206 1.00 0.00 S ATOM 0 H CYS A 97 -7.102 5.222 4.914 1.00 0.00 H new ATOM 0 HA CYS A 97 -4.534 4.240 6.003 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -6.225 6.321 6.793 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -6.610 5.022 7.904 1.00 0.00 H new ATOM 1316 N CYS A 98 -5.416 2.012 6.539 1.00 0.00 N ATOM 1317 CA CYS A 98 -5.884 0.649 6.739 1.00 0.00 C ATOM 1318 C CYS A 98 -5.123 -0.031 7.868 1.00 0.00 C ATOM 1319 O CYS A 98 -3.916 -0.230 7.768 1.00 0.00 O ATOM 1320 CB CYS A 98 -5.694 -0.147 5.450 1.00 0.00 C ATOM 1321 SG CYS A 98 -6.745 -1.630 5.322 1.00 0.00 S ATOM 0 H CYS A 98 -4.403 2.096 6.450 1.00 0.00 H new ATOM 0 HA CYS A 98 -6.940 0.684 7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.900 0.504 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.649 -0.449 5.374 1.00 0.00 H new ATOM 1326 N PRO A 99 -5.818 -0.414 8.944 1.00 0.00 N ATOM 1327 CA PRO A 99 -5.188 -1.042 10.111 1.00 0.00 C ATOM 1328 C PRO A 99 -4.768 -2.491 9.849 1.00 0.00 C ATOM 1329 O PRO A 99 -5.406 -3.201 9.070 1.00 0.00 O ATOM 1330 CB PRO A 99 -6.296 -0.986 11.164 1.00 0.00 C ATOM 1331 CG PRO A 99 -7.564 -1.021 10.381 1.00 0.00 C ATOM 1332 CD PRO A 99 -7.281 -0.275 9.107 1.00 0.00 C ATOM 0 HA PRO A 99 -4.267 -0.537 10.402 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -6.232 -1.829 11.852 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.226 -0.079 11.764 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.867 -2.047 10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.378 -0.554 10.935 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.821 -0.703 8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.579 0.771 9.179 1.00 0.00 H new ATOM 1340 N GLU A 100 -3.667 -2.916 10.458 1.00 0.00 N ATOM 1341 CA GLU A 100 -3.260 -4.316 10.393 1.00 0.00 C ATOM 1342 C GLU A 100 -3.888 -5.094 11.540 1.00 0.00 C ATOM 1343 O GLU A 100 -3.801 -4.685 12.695 1.00 0.00 O ATOM 1344 CB GLU A 100 -1.736 -4.449 10.449 1.00 0.00 C ATOM 1345 CG GLU A 100 -1.137 -5.168 9.246 1.00 0.00 C ATOM 1346 CD GLU A 100 -0.485 -4.203 8.278 1.00 0.00 C ATOM 1347 OE1 GLU A 100 -0.795 -3.000 8.356 1.00 0.00 O ATOM 1348 OE2 GLU A 100 0.311 -4.642 7.430 1.00 0.00 O ATOM 0 H GLU A 100 -3.044 -2.317 10.999 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.605 -4.726 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.296 -3.454 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.461 -4.987 11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.399 -5.894 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.919 -5.726 8.731 1.00 0.00 H new ATOM 1355 N GLY A 101 -4.526 -6.206 11.215 1.00 0.00 N ATOM 1356 CA GLY A 101 -5.171 -7.014 12.229 1.00 0.00 C ATOM 1357 C GLY A 101 -6.597 -7.354 11.857 1.00 0.00 C ATOM 1358 O GLY A 101 -6.950 -8.525 11.739 1.00 0.00 O ATOM 0 H GLY A 101 -4.609 -6.565 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.605 -7.934 12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.161 -6.480 13.179 1.00 0.00 H new ATOM 1362 N THR A 102 -7.418 -6.321 11.697 1.00 0.00 N ATOM 1363 CA THR A 102 -8.805 -6.469 11.261 1.00 0.00 C ATOM 1364 C THR A 102 -9.392 -5.105 10.924 1.00 0.00 C ATOM 1365 O THR A 102 -8.735 -4.079 11.130 1.00 0.00 O ATOM 1366 CB THR A 102 -9.702 -7.136 12.332 1.00 0.00 C ATOM 1367 OG1 THR A 102 -8.937 -7.511 13.487 1.00 0.00 O ATOM 1368 CG2 THR A 102 -10.397 -8.362 11.757 1.00 0.00 C ATOM 0 H THR A 102 -7.141 -5.354 11.866 1.00 0.00 H new ATOM 0 HA THR A 102 -8.787 -7.115 10.383 1.00 0.00 H new ATOM 0 HB THR A 102 -10.454 -6.407 12.636 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.527 -7.929 14.149 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.023 -8.818 12.524 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.017 -8.065 10.911 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.649 -9.082 11.424 1.00 0.00 H new ATOM 1376 N THR A 103 -10.622 -5.113 10.409 1.00 0.00 N ATOM 1377 CA THR A 103 -11.363 -3.893 10.092 1.00 0.00 C ATOM 1378 C THR A 103 -10.915 -3.282 8.770 1.00 0.00 C ATOM 1379 O THR A 103 -9.747 -3.352 8.387 1.00 0.00 O ATOM 1380 CB THR A 103 -11.264 -2.842 11.226 1.00 0.00 C ATOM 1381 OG1 THR A 103 -11.551 -3.459 12.488 1.00 0.00 O ATOM 1382 CG2 THR A 103 -12.224 -1.683 11.004 1.00 0.00 C ATOM 0 H THR A 103 -11.134 -5.970 10.199 1.00 0.00 H new ATOM 0 HA THR A 103 -12.407 -4.189 9.994 1.00 0.00 H new ATOM 0 HB THR A 103 -10.248 -2.448 11.223 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.485 -2.790 13.201 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.125 -0.967 11.820 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.989 -1.192 10.060 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.247 -2.059 10.973 1.00 0.00 H new ATOM 1390 N ASN A 104 -11.887 -2.710 8.071 1.00 0.00 N ATOM 1391 CA ASN A 104 -11.678 -2.106 6.765 1.00 0.00 C ATOM 1392 C ASN A 104 -10.873 -0.816 6.877 1.00 0.00 C ATOM 1393 O ASN A 104 -10.578 -0.343 7.973 1.00 0.00 O ATOM 1394 CB ASN A 104 -13.031 -1.820 6.097 1.00 0.00 C ATOM 1395 CG ASN A 104 -14.168 -1.703 7.095 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -14.715 -2.706 7.551 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -14.526 -0.478 7.443 1.00 0.00 N ATOM 0 H ASN A 104 -12.851 -2.653 8.399 1.00 0.00 H new ATOM 0 HA ASN A 104 -11.112 -2.809 6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.960 -0.895 5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.257 -2.617 5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.282 -0.339 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.046 0.327 7.041 1.00 0.00 H new ATOM 1404 N CYS A 105 -10.558 -0.231 5.735 1.00 0.00 N ATOM 1405 CA CYS A 105 -9.724 0.958 5.697 1.00 0.00 C ATOM 1406 C CYS A 105 -10.533 2.176 5.267 1.00 0.00 C ATOM 1407 O CYS A 105 -11.414 2.086 4.407 1.00 0.00 O ATOM 1408 CB CYS A 105 -8.564 0.740 4.723 1.00 0.00 C ATOM 1409 SG CYS A 105 -8.326 -0.995 4.217 1.00 0.00 S ATOM 0 H CYS A 105 -10.867 -0.560 4.820 1.00 0.00 H new ATOM 0 HA CYS A 105 -9.335 1.140 6.699 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -8.733 1.346 3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.645 1.101 5.184 1.00 0.00 H new ATOM 1414 N VAL A 106 -10.237 3.313 5.882 1.00 0.00 N ATOM 1415 CA VAL A 106 -10.887 4.568 5.542 1.00 0.00 C ATOM 1416 C VAL A 106 -10.135 5.264 4.412 1.00 0.00 C ATOM 1417 O VAL A 106 -8.911 5.171 4.323 1.00 0.00 O ATOM 1418 CB VAL A 106 -10.988 5.511 6.772 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -11.471 4.745 7.992 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -9.658 6.190 7.076 1.00 0.00 C ATOM 0 H VAL A 106 -9.544 3.390 6.626 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.900 4.336 5.212 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.712 6.288 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.536 5.421 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.455 4.321 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.770 3.942 8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.772 6.841 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.903 5.433 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.347 6.783 6.216 1.00 0.00 H new ATOM 1430 N ALA A 107 -10.864 5.951 3.552 1.00 0.00 N ATOM 1431 CA ALA A 107 -10.258 6.615 2.410 1.00 0.00 C ATOM 1432 C ALA A 107 -10.291 8.126 2.575 1.00 0.00 C ATOM 1433 O ALA A 107 -11.358 8.722 2.734 1.00 0.00 O ATOM 1434 CB ALA A 107 -10.959 6.203 1.126 1.00 0.00 C ATOM 0 H ALA A 107 -11.875 6.064 3.621 1.00 0.00 H new ATOM 0 HA ALA A 107 -9.214 6.307 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.494 6.708 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.875 5.124 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.012 6.481 1.181 1.00 0.00 H new ATOM 1440 N VAL A 108 -9.116 8.732 2.550 1.00 0.00 N ATOM 1441 CA VAL A 108 -8.989 10.181 2.649 1.00 0.00 C ATOM 1442 C VAL A 108 -8.626 10.755 1.287 1.00 0.00 C ATOM 1443 O VAL A 108 -7.966 11.789 1.180 1.00 0.00 O ATOM 1444 CB VAL A 108 -7.921 10.599 3.683 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -8.564 10.868 5.037 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -6.836 9.540 3.795 1.00 0.00 C ATOM 0 H VAL A 108 -8.227 8.240 2.461 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.949 10.575 2.983 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.454 11.522 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.796 11.161 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.295 11.671 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.062 9.965 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.094 9.855 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.280 8.596 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.355 9.408 2.826 1.00 0.00 H new ATOM 1456 N ASP A 109 -9.095 10.071 0.250 1.00 0.00 N ATOM 1457 CA ASP A 109 -8.773 10.400 -1.136 1.00 0.00 C ATOM 1458 C ASP A 109 -9.552 11.624 -1.614 1.00 0.00 C ATOM 1459 O ASP A 109 -9.271 12.178 -2.677 1.00 0.00 O ATOM 1460 CB ASP A 109 -9.067 9.195 -2.049 1.00 0.00 C ATOM 1461 CG ASP A 109 -10.483 8.643 -1.904 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -11.248 9.131 -1.047 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -10.832 7.702 -2.649 1.00 0.00 O ATOM 0 H ASP A 109 -9.714 9.266 0.347 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.710 10.638 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.906 9.489 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.353 8.401 -1.828 1.00 0.00 H new