USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 47 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.907) USER MOD Set 1.2: A 93 ASN : amide:sc= 0.0185 K(o=1.2,f=-3.6!) USER MOD Single : A 17 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.8!) USER MOD Single : A 18 ASN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 19 TYR OH : rot -166:sc= -0.15 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.195 F(o=-1.1!,f=-0.19) USER MOD Single : A 24 LYS NZ :NH3+ -101:sc= 2.35 (180deg=0.198) USER MOD Single : A 25 SER OG : rot 67:sc= 1.27 USER MOD Single : A 29 SER OG : rot 96:sc= 0.0378 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= 1.22 (180deg=1.12) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -34:sc= 1.28 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.1) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.11) USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 11.586 -2.207 -2.570 1.00 0.00 N ATOM 191 CA ILE A 16 10.639 -1.216 -3.069 1.00 0.00 C ATOM 192 C ILE A 16 9.346 -1.895 -3.518 1.00 0.00 C ATOM 193 O ILE A 16 8.249 -1.488 -3.130 1.00 0.00 O ATOM 194 CB ILE A 16 11.226 -0.402 -4.246 1.00 0.00 C ATOM 195 CG1 ILE A 16 12.648 0.063 -3.919 1.00 0.00 C ATOM 196 CG2 ILE A 16 10.335 0.793 -4.556 1.00 0.00 C ATOM 197 CD1 ILE A 16 13.446 0.484 -5.134 1.00 0.00 C ATOM 0 HA ILE A 16 10.429 -0.529 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 16 11.267 -1.044 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.596 0.900 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.176 -0.743 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.759 1.358 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.339 0.443 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.268 1.435 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.442 0.800 -4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.531 -0.356 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.941 1.312 -5.632 1.00 0.00 H new ATOM 209 N ASN A 17 9.485 -2.961 -4.299 1.00 0.00 N ATOM 210 CA ASN A 17 8.334 -3.732 -4.762 1.00 0.00 C ATOM 211 C ASN A 17 7.729 -4.509 -3.601 1.00 0.00 C ATOM 212 O ASN A 17 6.514 -4.693 -3.523 1.00 0.00 O ATOM 213 CB ASN A 17 8.712 -4.709 -5.895 1.00 0.00 C ATOM 214 CG ASN A 17 10.153 -4.596 -6.364 1.00 0.00 C ATOM 215 OD1 ASN A 17 10.640 -3.512 -6.680 1.00 0.00 O ATOM 216 ND2 ASN A 17 10.845 -5.724 -6.422 1.00 0.00 N ATOM 0 H ASN A 17 10.385 -3.312 -4.626 1.00 0.00 H new ATOM 0 HA ASN A 17 7.605 -3.025 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.532 -5.729 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.051 -4.535 -6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.815 -5.712 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.408 -6.605 -6.152 1.00 0.00 H new ATOM 223 N ASN A 18 8.592 -4.946 -2.693 1.00 0.00 N ATOM 224 CA ASN A 18 8.173 -5.691 -1.509 1.00 0.00 C ATOM 225 C ASN A 18 7.293 -4.830 -0.608 1.00 0.00 C ATOM 226 O ASN A 18 6.297 -5.305 -0.061 1.00 0.00 O ATOM 227 CB ASN A 18 9.402 -6.175 -0.736 1.00 0.00 C ATOM 228 CG ASN A 18 9.076 -7.266 0.265 1.00 0.00 C ATOM 229 OD1 ASN A 18 9.343 -7.128 1.460 1.00 0.00 O ATOM 230 ND2 ASN A 18 8.514 -8.361 -0.215 1.00 0.00 N ATOM 0 H ASN A 18 9.599 -4.796 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 18 7.590 -6.553 -1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.146 -6.546 -1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.852 -5.331 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.285 -9.133 0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.310 -8.434 -1.212 1.00 0.00 H new ATOM 237 N TYR A 19 7.657 -3.555 -0.480 1.00 0.00 N ATOM 238 CA TYR A 19 6.904 -2.606 0.335 1.00 0.00 C ATOM 239 C TYR A 19 5.461 -2.497 -0.143 1.00 0.00 C ATOM 240 O TYR A 19 4.539 -2.413 0.663 1.00 0.00 O ATOM 241 CB TYR A 19 7.564 -1.227 0.289 1.00 0.00 C ATOM 242 CG TYR A 19 7.733 -0.581 1.648 1.00 0.00 C ATOM 243 CD1 TYR A 19 8.765 -0.963 2.495 1.00 0.00 C ATOM 244 CD2 TYR A 19 6.865 0.416 2.080 1.00 0.00 C ATOM 245 CE1 TYR A 19 8.928 -0.371 3.732 1.00 0.00 C ATOM 246 CE2 TYR A 19 7.023 1.015 3.317 1.00 0.00 C ATOM 247 CZ TYR A 19 8.057 0.617 4.138 1.00 0.00 C ATOM 248 OH TYR A 19 8.226 1.210 5.369 1.00 0.00 O ATOM 0 H TYR A 19 8.477 -3.154 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 19 6.904 -2.974 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.542 -1.319 -0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.966 -0.570 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.451 -1.736 2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.054 0.728 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.735 -0.681 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.341 1.789 3.637 1.00 0.00 H new ATOM 0 HH TYR A 19 7.420 1.717 5.601 1.00 0.00 H new ATOM 258 N ALA A 20 5.276 -2.492 -1.459 1.00 0.00 N ATOM 259 CA ALA A 20 3.945 -2.383 -2.045 1.00 0.00 C ATOM 260 C ALA A 20 3.042 -3.524 -1.584 1.00 0.00 C ATOM 261 O ALA A 20 1.926 -3.296 -1.113 1.00 0.00 O ATOM 262 CB ALA A 20 4.039 -2.367 -3.562 1.00 0.00 C ATOM 0 H ALA A 20 6.032 -2.562 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 20 3.503 -1.446 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.039 -2.285 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.640 -1.515 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.506 -3.289 -3.907 1.00 0.00 H new ATOM 268 N GLY A 21 3.544 -4.748 -1.692 1.00 0.00 N ATOM 269 CA GLY A 21 2.781 -5.902 -1.255 1.00 0.00 C ATOM 270 C GLY A 21 2.621 -5.941 0.251 1.00 0.00 C ATOM 271 O GLY A 21 1.610 -6.422 0.766 1.00 0.00 O ATOM 0 H GLY A 21 4.465 -4.962 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.797 -5.884 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.277 -6.813 -1.590 1.00 0.00 H new ATOM 275 N GLN A 22 3.617 -5.427 0.958 1.00 0.00 N ATOM 276 CA GLN A 22 3.595 -5.396 2.409 1.00 0.00 C ATOM 277 C GLN A 22 2.571 -4.377 2.912 1.00 0.00 C ATOM 278 O GLN A 22 1.875 -4.622 3.897 1.00 0.00 O ATOM 279 CB GLN A 22 5.002 -5.093 2.933 1.00 0.00 C ATOM 280 CG GLN A 22 5.073 -4.000 3.980 1.00 0.00 C ATOM 281 CD GLN A 22 6.210 -4.219 4.959 1.00 0.00 C ATOM 282 OE1 GLN A 22 6.384 -5.460 5.388 1.00 0.00 O flip ATOM 283 NE2 GLN A 22 6.918 -3.287 5.330 1.00 0.00 N flip ATOM 0 H GLN A 22 4.457 -5.023 0.543 1.00 0.00 H new ATOM 0 HA GLN A 22 3.289 -6.371 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.421 -6.007 3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.634 -4.811 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.200 -3.036 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.130 -3.959 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.750 -2.346 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.674 -3.454 5.994 1.00 0.00 H new ATOM 292 N ILE A 23 2.413 -3.284 2.172 1.00 0.00 N ATOM 293 CA ILE A 23 1.394 -2.292 2.488 1.00 0.00 C ATOM 294 C ILE A 23 0.009 -2.900 2.288 1.00 0.00 C ATOM 295 O ILE A 23 -0.878 -2.746 3.131 1.00 0.00 O ATOM 296 CB ILE A 23 1.547 -1.021 1.615 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.747 -0.198 2.085 1.00 0.00 C ATOM 298 CG2 ILE A 23 0.282 -0.174 1.651 1.00 0.00 C ATOM 299 CD1 ILE A 23 3.142 0.905 1.125 1.00 0.00 C ATOM 0 H ILE A 23 2.977 -3.064 1.351 1.00 0.00 H new ATOM 0 HA ILE A 23 1.519 -1.996 3.529 1.00 0.00 H new ATOM 0 HB ILE A 23 1.714 -1.337 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.517 0.242 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.598 -0.863 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.419 0.711 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.557 -0.757 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.078 0.131 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.000 1.446 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.404 0.471 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.306 1.593 0.998 1.00 0.00 H new ATOM 311 N LYS A 24 -0.137 -3.664 1.209 1.00 0.00 N ATOM 312 CA LYS A 24 -1.378 -4.377 0.934 1.00 0.00 C ATOM 313 C LYS A 24 -1.654 -5.421 2.012 1.00 0.00 C ATOM 314 O LYS A 24 -2.794 -5.609 2.425 1.00 0.00 O ATOM 315 CB LYS A 24 -1.318 -5.043 -0.440 1.00 0.00 C ATOM 316 CG LYS A 24 -1.441 -4.059 -1.588 1.00 0.00 C ATOM 317 CD LYS A 24 -2.844 -4.054 -2.168 1.00 0.00 C ATOM 318 CE LYS A 24 -2.941 -4.935 -3.400 1.00 0.00 C ATOM 319 NZ LYS A 24 -3.437 -6.295 -3.070 1.00 0.00 N ATOM 0 H LYS A 24 0.592 -3.805 0.510 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.193 -3.653 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.376 -5.584 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.118 -5.780 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.187 -3.058 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.725 -4.317 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.551 -4.401 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.128 -3.034 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.609 -4.471 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.961 -5.010 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.636 -6.957 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.914 -6.276 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.109 -6.606 -3.800 1.00 0.00 H new ATOM 333 N SER A 25 -0.594 -6.050 2.511 1.00 0.00 N ATOM 334 CA SER A 25 -0.720 -7.018 3.592 1.00 0.00 C ATOM 335 C SER A 25 -1.167 -6.329 4.880 1.00 0.00 C ATOM 336 O SER A 25 -1.994 -6.852 5.619 1.00 0.00 O ATOM 337 CB SER A 25 0.610 -7.743 3.817 1.00 0.00 C ATOM 338 OG SER A 25 1.096 -8.321 2.611 1.00 0.00 O ATOM 0 H SER A 25 0.361 -5.906 2.183 1.00 0.00 H new ATOM 0 HA SER A 25 -1.476 -7.751 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.347 -7.042 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.479 -8.521 4.569 1.00 0.00 H new ATOM 0 HG SER A 25 1.334 -7.610 1.980 1.00 0.00 H new ATOM 344 N ALA A 26 -0.652 -5.128 5.112 1.00 0.00 N ATOM 345 CA ALA A 26 -1.036 -4.343 6.277 1.00 0.00 C ATOM 346 C ALA A 26 -2.521 -4.013 6.240 1.00 0.00 C ATOM 347 O ALA A 26 -3.176 -3.901 7.277 1.00 0.00 O ATOM 348 CB ALA A 26 -0.223 -3.058 6.340 1.00 0.00 C ATOM 0 H ALA A 26 0.034 -4.676 4.507 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.833 -4.937 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.521 -2.482 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.837 -3.301 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.402 -2.470 5.440 1.00 0.00 H new ATOM 354 N ILE A 27 -3.019 -3.799 5.036 1.00 0.00 N ATOM 355 CA ILE A 27 -4.400 -3.403 4.828 1.00 0.00 C ATOM 356 C ILE A 27 -5.337 -4.609 4.825 1.00 0.00 C ATOM 357 O ILE A 27 -6.379 -4.603 5.479 1.00 0.00 O ATOM 358 CB ILE A 27 -4.533 -2.637 3.490 1.00 0.00 C ATOM 359 CG1 ILE A 27 -3.980 -1.213 3.651 1.00 0.00 C ATOM 360 CG2 ILE A 27 -5.977 -2.627 2.996 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.358 -0.271 2.524 1.00 0.00 C ATOM 0 H ILE A 27 -2.479 -3.895 4.176 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.688 -2.754 5.655 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.945 -3.153 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.341 -0.799 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.893 -1.262 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.036 -2.081 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.316 -3.651 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.612 -2.141 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.929 0.713 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.974 -0.659 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.443 -0.189 2.467 1.00 0.00 H new ATOM 373 N GLU A 28 -5.051 -5.554 3.947 1.00 0.00 N ATOM 374 CA GLU A 28 -5.966 -6.650 3.687 1.00 0.00 C ATOM 375 C GLU A 28 -5.964 -7.691 4.800 1.00 0.00 C ATOM 376 O GLU A 28 -6.974 -8.352 5.029 1.00 0.00 O ATOM 377 CB GLU A 28 -5.639 -7.272 2.337 1.00 0.00 C ATOM 378 CG GLU A 28 -6.029 -6.362 1.182 1.00 0.00 C ATOM 379 CD GLU A 28 -5.809 -6.992 -0.171 1.00 0.00 C ATOM 380 OE1 GLU A 28 -6.532 -7.950 -0.505 1.00 0.00 O ATOM 381 OE2 GLU A 28 -4.907 -6.534 -0.907 1.00 0.00 O ATOM 0 H GLU A 28 -4.190 -5.584 3.401 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.979 -6.247 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.572 -7.486 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.160 -8.224 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.079 -6.089 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.452 -5.439 1.244 1.00 0.00 H new ATOM 388 N SER A 29 -4.897 -7.756 5.583 1.00 0.00 N ATOM 389 CA SER A 29 -4.887 -8.632 6.748 1.00 0.00 C ATOM 390 C SER A 29 -5.624 -7.972 7.914 1.00 0.00 C ATOM 391 O SER A 29 -5.713 -8.525 9.009 1.00 0.00 O ATOM 392 CB SER A 29 -3.458 -8.993 7.145 1.00 0.00 C ATOM 393 OG SER A 29 -2.825 -9.734 6.113 1.00 0.00 O ATOM 0 H SER A 29 -4.040 -7.223 5.438 1.00 0.00 H new ATOM 0 HA SER A 29 -5.406 -9.555 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.891 -8.085 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.467 -9.576 8.066 1.00 0.00 H new ATOM 0 HG SER A 29 -2.298 -9.128 5.551 1.00 0.00 H new ATOM 399 N LYS A 30 -6.268 -6.852 7.614 1.00 0.00 N ATOM 400 CA LYS A 30 -7.142 -6.177 8.559 1.00 0.00 C ATOM 401 C LYS A 30 -8.532 -6.093 7.950 1.00 0.00 C ATOM 402 O LYS A 30 -9.393 -5.341 8.407 1.00 0.00 O ATOM 403 CB LYS A 30 -6.611 -4.775 8.869 1.00 0.00 C ATOM 404 CG LYS A 30 -5.358 -4.777 9.729 1.00 0.00 C ATOM 405 CD LYS A 30 -5.426 -3.712 10.811 1.00 0.00 C ATOM 406 CE LYS A 30 -5.045 -4.274 12.170 1.00 0.00 C ATOM 407 NZ LYS A 30 -6.239 -4.621 12.985 1.00 0.00 N ATOM 0 H LYS A 30 -6.198 -6.387 6.709 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.179 -6.736 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.398 -4.261 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.389 -4.204 9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.232 -5.757 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.484 -4.605 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.758 -2.889 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.435 -3.301 10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.428 -5.162 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.439 -3.544 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.934 -5.001 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.815 -3.769 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.804 -5.337 12.485 1.00 0.00 H new ATOM 421 N PHE A 31 -8.707 -6.845 6.873 1.00 0.00 N ATOM 422 CA PHE A 31 -9.946 -6.853 6.120 1.00 0.00 C ATOM 423 C PHE A 31 -10.686 -8.165 6.326 1.00 0.00 C ATOM 424 O PHE A 31 -10.076 -9.234 6.333 1.00 0.00 O ATOM 425 CB PHE A 31 -9.641 -6.661 4.634 1.00 0.00 C ATOM 426 CG PHE A 31 -10.057 -5.325 4.093 1.00 0.00 C ATOM 427 CD1 PHE A 31 -11.145 -4.650 4.623 1.00 0.00 C ATOM 428 CD2 PHE A 31 -9.361 -4.744 3.046 1.00 0.00 C ATOM 429 CE1 PHE A 31 -11.529 -3.421 4.121 1.00 0.00 C ATOM 430 CE2 PHE A 31 -9.742 -3.516 2.539 1.00 0.00 C ATOM 431 CZ PHE A 31 -10.825 -2.855 3.078 1.00 0.00 C ATOM 0 H PHE A 31 -7.990 -7.467 6.499 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.578 -6.038 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.570 -6.789 4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.144 -7.444 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.700 -5.090 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.511 -5.256 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.378 -2.905 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.192 -3.075 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.122 -1.894 2.684 1.00 0.00 H new ATOM 544 N LYS A 40 -11.562 -7.452 -8.844 1.00 0.00 N ATOM 545 CA LYS A 40 -11.966 -6.076 -8.593 1.00 0.00 C ATOM 546 C LYS A 40 -10.800 -5.128 -8.842 1.00 0.00 C ATOM 547 O LYS A 40 -9.639 -5.540 -8.806 1.00 0.00 O ATOM 548 CB LYS A 40 -12.463 -5.920 -7.154 1.00 0.00 C ATOM 549 CG LYS A 40 -13.817 -6.563 -6.898 1.00 0.00 C ATOM 550 CD LYS A 40 -14.905 -5.519 -6.722 1.00 0.00 C ATOM 551 CE LYS A 40 -16.268 -6.060 -7.120 1.00 0.00 C ATOM 552 NZ LYS A 40 -17.053 -5.064 -7.891 1.00 0.00 N ATOM 0 HA LYS A 40 -12.778 -5.826 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.730 -6.358 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.524 -4.859 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.072 -7.219 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.762 -7.186 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.932 -5.192 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.670 -4.642 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.140 -6.963 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.821 -6.345 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.064 -5.179 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.750 -4.104 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.895 -5.210 -8.909 1.00 0.00 H new ATOM 566 N THR A 41 -11.113 -3.863 -9.075 1.00 0.00 N ATOM 567 CA THR A 41 -10.098 -2.843 -9.308 1.00 0.00 C ATOM 568 C THR A 41 -10.458 -1.570 -8.549 1.00 0.00 C ATOM 569 O THR A 41 -11.631 -1.213 -8.472 1.00 0.00 O ATOM 570 CB THR A 41 -9.972 -2.525 -10.813 1.00 0.00 C ATOM 571 OG1 THR A 41 -10.517 -3.600 -11.596 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.521 -2.295 -11.205 1.00 0.00 C ATOM 0 H THR A 41 -12.071 -3.514 -9.108 1.00 0.00 H new ATOM 0 HA THR A 41 -9.142 -3.226 -8.951 1.00 0.00 H new ATOM 0 HB THR A 41 -10.533 -1.612 -11.009 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.433 -3.386 -12.549 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.463 -2.073 -12.271 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.119 -1.456 -10.637 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.939 -3.191 -10.989 1.00 0.00 H new ATOM 580 N CYS A 42 -9.469 -0.926 -7.938 1.00 0.00 N ATOM 581 CA CYS A 42 -9.728 0.260 -7.129 1.00 0.00 C ATOM 582 C CYS A 42 -8.504 1.167 -7.052 1.00 0.00 C ATOM 583 O CYS A 42 -7.658 1.019 -6.175 1.00 0.00 O ATOM 584 CB CYS A 42 -10.161 -0.144 -5.722 1.00 0.00 C ATOM 585 SG CYS A 42 -11.796 0.488 -5.250 1.00 0.00 S ATOM 0 H CYS A 42 -8.488 -1.202 -7.987 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.531 0.817 -7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.168 -1.232 -5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.422 0.217 -5.007 1.00 0.00 H new ATOM 590 N THR A 43 -8.437 2.136 -7.945 1.00 0.00 N ATOM 591 CA THR A 43 -7.345 3.092 -7.946 1.00 0.00 C ATOM 592 C THR A 43 -7.519 4.133 -6.837 1.00 0.00 C ATOM 593 O THR A 43 -8.427 4.962 -6.893 1.00 0.00 O ATOM 594 CB THR A 43 -7.257 3.806 -9.306 1.00 0.00 C ATOM 595 OG1 THR A 43 -7.258 2.839 -10.368 1.00 0.00 O ATOM 596 CG2 THR A 43 -6.005 4.666 -9.390 1.00 0.00 C ATOM 0 H THR A 43 -9.128 2.282 -8.681 1.00 0.00 H new ATOM 0 HA THR A 43 -6.423 2.539 -7.765 1.00 0.00 H new ATOM 0 HB THR A 43 -8.126 4.456 -9.407 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.783 2.033 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.967 5.160 -10.361 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.027 5.418 -8.601 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.123 4.037 -9.268 1.00 0.00 H new ATOM 604 N LEU A 44 -6.624 4.116 -5.857 1.00 0.00 N ATOM 605 CA LEU A 44 -6.663 5.095 -4.781 1.00 0.00 C ATOM 606 C LEU A 44 -5.447 6.012 -4.848 1.00 0.00 C ATOM 607 O LEU A 44 -4.306 5.549 -4.825 1.00 0.00 O ATOM 608 CB LEU A 44 -6.720 4.419 -3.407 1.00 0.00 C ATOM 609 CG LEU A 44 -6.828 2.894 -3.420 1.00 0.00 C ATOM 610 CD1 LEU A 44 -5.622 2.271 -2.737 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.111 2.450 -2.740 1.00 0.00 C ATOM 0 H LEU A 44 -5.866 3.438 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.570 5.685 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.826 4.696 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.574 4.820 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.850 2.556 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.714 1.185 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.714 2.567 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.572 2.614 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.174 1.362 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.114 2.798 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.967 2.871 -3.267 1.00 0.00 H new ATOM 623 N ARG A 45 -5.700 7.312 -4.886 1.00 0.00 N ATOM 624 CA ARG A 45 -4.636 8.305 -4.901 1.00 0.00 C ATOM 625 C ARG A 45 -4.075 8.490 -3.496 1.00 0.00 C ATOM 626 O ARG A 45 -4.679 9.165 -2.663 1.00 0.00 O ATOM 627 CB ARG A 45 -5.163 9.637 -5.440 1.00 0.00 C ATOM 628 CG ARG A 45 -4.075 10.575 -5.937 1.00 0.00 C ATOM 629 CD ARG A 45 -4.558 12.017 -5.975 1.00 0.00 C ATOM 630 NE ARG A 45 -5.237 12.334 -7.231 1.00 0.00 N ATOM 631 CZ ARG A 45 -6.552 12.516 -7.348 1.00 0.00 C ATOM 632 NH1 ARG A 45 -7.333 12.459 -6.277 1.00 0.00 N ATOM 633 NH2 ARG A 45 -7.086 12.779 -8.530 1.00 0.00 N ATOM 0 H ARG A 45 -6.641 7.706 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.838 7.956 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.858 9.438 -6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.729 10.137 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.203 10.499 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.757 10.270 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.237 12.194 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.709 12.687 -5.843 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.667 12.421 -8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.927 12.275 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.339 12.599 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.491 12.843 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.093 12.918 -8.615 1.00 0.00 H new ATOM 647 N ILE A 46 -2.960 7.831 -3.219 1.00 0.00 N ATOM 648 CA ILE A 46 -2.363 7.868 -1.895 1.00 0.00 C ATOM 649 C ILE A 46 -1.121 8.753 -1.873 1.00 0.00 C ATOM 650 O ILE A 46 -0.479 8.971 -2.904 1.00 0.00 O ATOM 651 CB ILE A 46 -1.991 6.452 -1.393 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.884 5.842 -2.256 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.216 5.550 -1.382 1.00 0.00 C ATOM 654 CD1 ILE A 46 0.289 5.316 -1.454 1.00 0.00 C ATOM 0 H ILE A 46 -2.450 7.263 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.114 8.288 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.618 6.541 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.303 5.028 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.525 6.595 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.935 4.559 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.973 5.972 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.620 5.472 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.034 4.898 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.734 6.131 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.056 4.540 -0.771 1.00 0.00 H new ATOM 666 N LYS A 47 -0.798 9.266 -0.698 1.00 0.00 N ATOM 667 CA LYS A 47 0.356 10.132 -0.523 1.00 0.00 C ATOM 668 C LYS A 47 1.111 9.745 0.743 1.00 0.00 C ATOM 669 O LYS A 47 0.663 10.038 1.854 1.00 0.00 O ATOM 670 CB LYS A 47 -0.087 11.594 -0.442 1.00 0.00 C ATOM 671 CG LYS A 47 0.797 12.542 -1.233 1.00 0.00 C ATOM 672 CD LYS A 47 1.847 13.195 -0.345 1.00 0.00 C ATOM 673 CE LYS A 47 2.614 14.282 -1.084 1.00 0.00 C ATOM 674 NZ LYS A 47 2.948 13.881 -2.475 1.00 0.00 N ATOM 0 H LYS A 47 -1.325 9.095 0.158 1.00 0.00 H new ATOM 0 HA LYS A 47 1.017 10.013 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.111 11.675 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.095 11.905 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.288 11.997 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.182 13.312 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.365 13.623 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.544 12.437 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.020 15.196 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.532 14.510 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.686 14.511 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.294 12.900 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.098 13.951 -3.070 1.00 0.00 H new ATOM 688 N LEU A 48 2.229 9.052 0.576 1.00 0.00 N ATOM 689 CA LEU A 48 3.012 8.587 1.714 1.00 0.00 C ATOM 690 C LEU A 48 3.911 9.695 2.247 1.00 0.00 C ATOM 691 O LEU A 48 4.558 10.408 1.482 1.00 0.00 O ATOM 692 CB LEU A 48 3.867 7.373 1.328 1.00 0.00 C ATOM 693 CG LEU A 48 3.446 6.024 1.932 1.00 0.00 C ATOM 694 CD1 LEU A 48 4.551 5.473 2.819 1.00 0.00 C ATOM 695 CD2 LEU A 48 2.145 6.147 2.712 1.00 0.00 C ATOM 0 H LEU A 48 2.614 8.799 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 48 2.312 8.294 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.858 7.279 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.897 7.573 1.622 1.00 0.00 H new ATOM 0 HG LEU A 48 3.276 5.328 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.238 4.517 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.455 5.330 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.753 6.176 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.876 5.175 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.273 6.864 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.353 6.490 2.047 1.00 0.00 H new ATOM 707 N ALA A 49 3.986 9.791 3.562 1.00 0.00 N ATOM 708 CA ALA A 49 4.854 10.756 4.218 1.00 0.00 C ATOM 709 C ALA A 49 6.119 10.062 4.698 1.00 0.00 C ATOM 710 O ALA A 49 6.134 8.837 4.831 1.00 0.00 O ATOM 711 CB ALA A 49 4.126 11.398 5.391 1.00 0.00 C ATOM 0 H ALA A 49 3.451 9.206 4.204 1.00 0.00 H new ATOM 0 HA ALA A 49 5.126 11.537 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.783 12.119 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.232 11.907 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.840 10.628 6.107 1.00 0.00 H new ATOM 717 N PRO A 50 7.184 10.820 5.028 1.00 0.00 N ATOM 718 CA PRO A 50 8.423 10.243 5.564 1.00 0.00 C ATOM 719 C PRO A 50 8.197 9.540 6.901 1.00 0.00 C ATOM 720 O PRO A 50 9.044 8.790 7.375 1.00 0.00 O ATOM 721 CB PRO A 50 9.345 11.451 5.744 1.00 0.00 C ATOM 722 CG PRO A 50 8.432 12.625 5.827 1.00 0.00 C ATOM 723 CD PRO A 50 7.251 12.295 4.959 1.00 0.00 C ATOM 0 HA PRO A 50 8.834 9.481 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.948 11.356 6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.037 11.548 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.121 12.805 6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.929 13.531 5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.336 12.758 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.393 12.644 3.936 1.00 0.00 H new ATOM 731 N ASP A 51 7.023 9.763 7.479 1.00 0.00 N ATOM 732 CA ASP A 51 6.639 9.129 8.735 1.00 0.00 C ATOM 733 C ASP A 51 6.012 7.761 8.485 1.00 0.00 C ATOM 734 O ASP A 51 5.672 7.042 9.424 1.00 0.00 O ATOM 735 CB ASP A 51 5.645 10.014 9.486 1.00 0.00 C ATOM 736 CG ASP A 51 6.143 10.419 10.858 1.00 0.00 C ATOM 737 OD1 ASP A 51 7.212 9.928 11.281 1.00 0.00 O ATOM 738 OD2 ASP A 51 5.476 11.246 11.511 1.00 0.00 O ATOM 0 H ASP A 51 6.313 10.385 7.093 1.00 0.00 H new ATOM 0 HA ASP A 51 7.538 8.997 9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.446 10.910 8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.699 9.483 9.590 1.00 0.00 H new ATOM 743 N GLY A 52 5.837 7.418 7.212 1.00 0.00 N ATOM 744 CA GLY A 52 5.229 6.148 6.852 1.00 0.00 C ATOM 745 C GLY A 52 3.716 6.183 6.932 1.00 0.00 C ATOM 746 O GLY A 52 3.056 5.150 6.842 1.00 0.00 O ATOM 0 H GLY A 52 6.107 8.000 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.530 5.880 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.606 5.368 7.514 1.00 0.00 H new ATOM 750 N MET A 53 3.165 7.376 7.094 1.00 0.00 N ATOM 751 CA MET A 53 1.722 7.541 7.177 1.00 0.00 C ATOM 752 C MET A 53 1.172 8.088 5.866 1.00 0.00 C ATOM 753 O MET A 53 1.879 8.770 5.122 1.00 0.00 O ATOM 754 CB MET A 53 1.353 8.470 8.339 1.00 0.00 C ATOM 755 CG MET A 53 1.631 9.944 8.074 1.00 0.00 C ATOM 756 SD MET A 53 0.158 10.967 8.267 1.00 0.00 S ATOM 757 CE MET A 53 0.731 12.163 9.473 1.00 0.00 C ATOM 0 H MET A 53 3.695 8.244 7.171 1.00 0.00 H new ATOM 0 HA MET A 53 1.275 6.564 7.360 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.294 8.347 8.565 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.907 8.161 9.226 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.405 10.294 8.757 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.022 10.061 7.063 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.071 12.867 9.696 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.025 11.646 10.386 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.587 12.704 9.070 1.00 0.00 H new ATOM 767 N LEU A 54 -0.092 7.800 5.597 1.00 0.00 N ATOM 768 CA LEU A 54 -0.744 8.280 4.388 1.00 0.00 C ATOM 769 C LEU A 54 -1.465 9.592 4.668 1.00 0.00 C ATOM 770 O LEU A 54 -2.548 9.601 5.255 1.00 0.00 O ATOM 771 CB LEU A 54 -1.736 7.241 3.851 1.00 0.00 C ATOM 772 CG LEU A 54 -1.526 5.811 4.358 1.00 0.00 C ATOM 773 CD1 LEU A 54 -2.712 5.364 5.199 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.310 4.859 3.189 1.00 0.00 C ATOM 0 H LEU A 54 -0.688 7.235 6.201 1.00 0.00 H new ATOM 0 HA LEU A 54 0.022 8.446 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.745 7.557 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.677 7.235 2.763 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.635 5.794 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.545 4.346 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.823 6.030 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.619 5.395 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.162 3.847 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.183 4.879 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.430 5.168 2.626 1.00 0.00 H new ATOM 786 N LEU A 55 -0.856 10.695 4.254 1.00 0.00 N ATOM 787 CA LEU A 55 -1.438 12.014 4.469 1.00 0.00 C ATOM 788 C LEU A 55 -2.731 12.152 3.685 1.00 0.00 C ATOM 789 O LEU A 55 -3.724 12.677 4.184 1.00 0.00 O ATOM 790 CB LEU A 55 -0.471 13.116 4.039 1.00 0.00 C ATOM 791 CG LEU A 55 0.973 12.944 4.497 1.00 0.00 C ATOM 792 CD1 LEU A 55 1.930 13.310 3.373 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.237 13.797 5.726 1.00 0.00 C ATOM 0 H LEU A 55 0.040 10.703 3.768 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.642 12.119 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.483 13.180 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.842 14.068 4.418 1.00 0.00 H new ATOM 0 HG LEU A 55 1.138 11.899 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.957 13.183 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.749 12.662 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.770 14.348 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.271 13.666 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.061 14.846 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.568 13.492 6.531 1.00 0.00 H new ATOM 805 N ASP A 56 -2.706 11.676 2.452 1.00 0.00 N ATOM 806 CA ASP A 56 -3.867 11.742 1.581 1.00 0.00 C ATOM 807 C ASP A 56 -4.174 10.373 0.999 1.00 0.00 C ATOM 808 O ASP A 56 -3.264 9.613 0.661 1.00 0.00 O ATOM 809 CB ASP A 56 -3.624 12.747 0.454 1.00 0.00 C ATOM 810 CG ASP A 56 -4.832 12.923 -0.445 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.968 12.922 0.070 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.643 13.081 -1.674 1.00 0.00 O ATOM 0 H ASP A 56 -1.888 11.237 2.029 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.723 12.070 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.354 13.711 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.776 12.416 -0.145 1.00 0.00 H new ATOM 817 N ILE A 57 -5.453 10.087 0.839 1.00 0.00 N ATOM 818 CA ILE A 57 -5.895 8.845 0.239 1.00 0.00 C ATOM 819 C ILE A 57 -7.311 9.018 -0.299 1.00 0.00 C ATOM 820 O ILE A 57 -8.268 9.194 0.458 1.00 0.00 O ATOM 821 CB ILE A 57 -5.824 7.659 1.240 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.467 6.408 0.638 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.481 8.016 2.570 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.918 5.112 1.196 1.00 0.00 C ATOM 0 H ILE A 57 -6.211 10.708 1.121 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.222 8.603 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.772 7.448 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.542 6.442 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.321 6.419 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.415 7.165 3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.970 8.872 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.529 8.266 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.422 4.270 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.848 5.054 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.089 5.078 2.272 1.00 0.00 H new ATOM 836 N LYS A 58 -7.422 9.101 -1.612 1.00 0.00 N ATOM 837 CA LYS A 58 -8.698 9.395 -2.242 1.00 0.00 C ATOM 838 C LYS A 58 -8.945 8.477 -3.429 1.00 0.00 C ATOM 839 O LYS A 58 -8.133 8.413 -4.353 1.00 0.00 O ATOM 840 CB LYS A 58 -8.747 10.862 -2.689 1.00 0.00 C ATOM 841 CG LYS A 58 -10.156 11.429 -2.775 1.00 0.00 C ATOM 842 CD LYS A 58 -10.544 12.158 -1.497 1.00 0.00 C ATOM 843 CE LYS A 58 -11.361 11.273 -0.568 1.00 0.00 C ATOM 844 NZ LYS A 58 -12.784 11.178 -0.993 1.00 0.00 N ATOM 0 H LYS A 58 -6.647 8.970 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.485 9.222 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.164 11.464 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.269 10.951 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.222 12.114 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.863 10.621 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.644 12.493 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.118 13.050 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.924 10.275 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.312 11.670 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.304 10.566 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.210 12.127 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.834 10.775 -1.951 1.00 0.00 H new ATOM 858 N PRO A 59 -10.071 7.750 -3.416 1.00 0.00 N ATOM 859 CA PRO A 59 -10.435 6.826 -4.491 1.00 0.00 C ATOM 860 C PRO A 59 -10.709 7.551 -5.804 1.00 0.00 C ATOM 861 O PRO A 59 -11.639 8.354 -5.898 1.00 0.00 O ATOM 862 CB PRO A 59 -11.720 6.153 -3.983 1.00 0.00 C ATOM 863 CG PRO A 59 -11.770 6.449 -2.524 1.00 0.00 C ATOM 864 CD PRO A 59 -11.078 7.767 -2.346 1.00 0.00 C ATOM 0 HA PRO A 59 -9.630 6.124 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.598 6.547 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.700 5.079 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.800 6.498 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.273 5.667 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.768 8.604 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.620 7.854 -1.361 1.00 0.00 H new ATOM 872 N GLU A 60 -9.947 7.207 -6.832 1.00 0.00 N ATOM 873 CA GLU A 60 -10.160 7.760 -8.159 1.00 0.00 C ATOM 874 C GLU A 60 -11.344 7.057 -8.809 1.00 0.00 C ATOM 875 O GLU A 60 -12.374 7.674 -9.091 1.00 0.00 O ATOM 876 CB GLU A 60 -8.897 7.594 -9.015 1.00 0.00 C ATOM 877 CG GLU A 60 -9.056 8.077 -10.449 1.00 0.00 C ATOM 878 CD GLU A 60 -8.887 6.962 -11.464 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.676 5.994 -11.433 1.00 0.00 O ATOM 880 OE2 GLU A 60 -7.969 7.050 -12.306 1.00 0.00 O ATOM 0 H GLU A 60 -9.173 6.545 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.375 8.826 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.078 8.140 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.613 6.542 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.042 8.526 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.323 8.859 -10.648 1.00 0.00 H new ATOM 887 N GLY A 61 -11.209 5.756 -9.000 1.00 0.00 N ATOM 888 CA GLY A 61 -12.284 4.978 -9.568 1.00 0.00 C ATOM 889 C GLY A 61 -12.057 3.493 -9.404 1.00 0.00 C ATOM 890 O GLY A 61 -11.089 3.072 -8.766 1.00 0.00 O ATOM 0 H GLY A 61 -10.370 5.224 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.224 5.256 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.382 5.215 -10.627 1.00 0.00 H new ATOM 894 N GLY A 62 -12.963 2.703 -9.957 1.00 0.00 N ATOM 895 CA GLY A 62 -12.867 1.265 -9.838 1.00 0.00 C ATOM 896 C GLY A 62 -14.097 0.683 -9.179 1.00 0.00 C ATOM 897 O GLY A 62 -15.081 0.371 -9.852 1.00 0.00 O ATOM 0 H GLY A 62 -13.768 3.035 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.739 0.824 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.983 1.005 -9.256 1.00 0.00 H new ATOM 901 N ASP A 63 -14.069 0.594 -7.859 1.00 0.00 N ATOM 902 CA ASP A 63 -15.216 0.112 -7.106 1.00 0.00 C ATOM 903 C ASP A 63 -15.491 1.018 -5.915 1.00 0.00 C ATOM 904 O ASP A 63 -14.701 1.080 -4.977 1.00 0.00 O ATOM 905 CB ASP A 63 -14.988 -1.317 -6.617 1.00 0.00 C ATOM 906 CG ASP A 63 -16.266 -1.957 -6.113 1.00 0.00 C ATOM 907 OD1 ASP A 63 -16.618 -1.751 -4.937 1.00 0.00 O ATOM 908 OD2 ASP A 63 -16.933 -2.660 -6.898 1.00 0.00 O ATOM 0 H ASP A 63 -13.264 0.849 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.078 0.122 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.579 -1.917 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.246 -1.313 -5.819 1.00 0.00 H new ATOM 913 N PRO A 64 -16.595 1.769 -5.956 1.00 0.00 N ATOM 914 CA PRO A 64 -16.948 2.716 -4.896 1.00 0.00 C ATOM 915 C PRO A 64 -17.031 2.059 -3.519 1.00 0.00 C ATOM 916 O PRO A 64 -16.651 2.658 -2.518 1.00 0.00 O ATOM 917 CB PRO A 64 -18.324 3.249 -5.320 1.00 0.00 C ATOM 918 CG PRO A 64 -18.800 2.320 -6.387 1.00 0.00 C ATOM 919 CD PRO A 64 -17.568 1.793 -7.055 1.00 0.00 C ATOM 0 HA PRO A 64 -16.192 3.494 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.015 3.266 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.251 4.271 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.391 1.509 -5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.439 2.840 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.728 0.801 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.242 2.437 -7.871 1.00 0.00 H new ATOM 927 N ALA A 65 -17.512 0.823 -3.478 1.00 0.00 N ATOM 928 CA ALA A 65 -17.631 0.097 -2.220 1.00 0.00 C ATOM 929 C ALA A 65 -16.264 -0.343 -1.702 1.00 0.00 C ATOM 930 O ALA A 65 -15.916 -0.077 -0.551 1.00 0.00 O ATOM 931 CB ALA A 65 -18.550 -1.102 -2.384 1.00 0.00 C ATOM 0 H ALA A 65 -17.825 0.304 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.065 0.772 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.628 -1.633 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.539 -0.763 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.143 -1.771 -3.142 1.00 0.00 H new ATOM 937 N LEU A 66 -15.504 -1.029 -2.548 1.00 0.00 N ATOM 938 CA LEU A 66 -14.183 -1.527 -2.167 1.00 0.00 C ATOM 939 C LEU A 66 -13.261 -0.377 -1.771 1.00 0.00 C ATOM 940 O LEU A 66 -12.523 -0.467 -0.789 1.00 0.00 O ATOM 941 CB LEU A 66 -13.559 -2.334 -3.316 1.00 0.00 C ATOM 942 CG LEU A 66 -12.409 -3.265 -2.916 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.879 -4.291 -1.894 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.831 -3.959 -4.146 1.00 0.00 C ATOM 0 H LEU A 66 -15.778 -1.254 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.306 -2.182 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.341 -2.931 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.194 -1.637 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.624 -2.663 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.048 -4.942 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.243 -3.778 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.684 -4.889 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.016 -4.616 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.610 -4.547 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.454 -3.210 -4.843 1.00 0.00 H new ATOM 956 N CYS A 67 -13.290 0.689 -2.555 1.00 0.00 N ATOM 957 CA CYS A 67 -12.436 1.845 -2.319 1.00 0.00 C ATOM 958 C CYS A 67 -12.778 2.537 -1.002 1.00 0.00 C ATOM 959 O CYS A 67 -11.885 2.932 -0.254 1.00 0.00 O ATOM 960 CB CYS A 67 -12.555 2.837 -3.477 1.00 0.00 C ATOM 961 SG CYS A 67 -11.478 2.462 -4.901 1.00 0.00 S ATOM 0 H CYS A 67 -13.901 0.779 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.408 1.488 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.591 2.859 -3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.318 3.836 -3.110 1.00 0.00 H new ATOM 966 N GLN A 68 -14.070 2.688 -0.722 1.00 0.00 N ATOM 967 CA GLN A 68 -14.511 3.346 0.505 1.00 0.00 C ATOM 968 C GLN A 68 -14.186 2.495 1.726 1.00 0.00 C ATOM 969 O GLN A 68 -13.862 3.021 2.794 1.00 0.00 O ATOM 970 CB GLN A 68 -16.009 3.642 0.447 1.00 0.00 C ATOM 971 CG GLN A 68 -16.353 4.836 -0.428 1.00 0.00 C ATOM 972 CD GLN A 68 -16.553 6.110 0.364 1.00 0.00 C ATOM 973 OE1 GLN A 68 -15.627 6.618 0.996 1.00 0.00 O ATOM 974 NE2 GLN A 68 -17.765 6.635 0.332 1.00 0.00 N ATOM 0 H GLN A 68 -14.827 2.365 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.973 4.290 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.532 2.762 0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.376 3.823 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.556 4.988 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.261 4.618 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.504 6.181 -0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.962 7.495 0.844 1.00 0.00 H new ATOM 983 N ALA A 69 -14.244 1.181 1.560 1.00 0.00 N ATOM 984 CA ALA A 69 -13.925 0.262 2.642 1.00 0.00 C ATOM 985 C ALA A 69 -12.426 0.258 2.918 1.00 0.00 C ATOM 986 O ALA A 69 -11.994 0.160 4.069 1.00 0.00 O ATOM 987 CB ALA A 69 -14.415 -1.138 2.308 1.00 0.00 C ATOM 0 H ALA A 69 -14.509 0.728 0.686 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.435 0.599 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.169 -1.814 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.495 -1.121 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.932 -1.484 1.394 1.00 0.00 H new ATOM 993 N ALA A 70 -11.639 0.357 1.852 1.00 0.00 N ATOM 994 CA ALA A 70 -10.183 0.349 1.957 1.00 0.00 C ATOM 995 C ALA A 70 -9.676 1.492 2.834 1.00 0.00 C ATOM 996 O ALA A 70 -8.673 1.347 3.531 1.00 0.00 O ATOM 997 CB ALA A 70 -9.552 0.428 0.574 1.00 0.00 C ATOM 0 H ALA A 70 -11.988 0.444 0.898 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.891 -0.589 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.466 0.421 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.870 -0.429 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.868 1.348 0.082 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.365 2.628 2.787 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.970 3.798 3.569 1.00 0.00 C ATOM 1005 C LEU A 71 -10.000 3.496 5.065 1.00 0.00 C ATOM 1006 O LEU A 71 -9.143 3.959 5.819 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.885 4.987 3.259 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.154 5.238 1.775 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.295 6.226 1.599 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.901 5.744 1.080 1.00 0.00 C ATOM 0 H LEU A 71 -11.199 2.765 2.216 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.948 4.054 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.839 4.830 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.442 5.886 3.688 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.442 4.292 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.472 6.392 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.198 5.825 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.035 7.171 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.114 5.916 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.580 6.678 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.108 5.002 1.173 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.980 2.703 5.484 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.115 2.329 6.885 1.00 0.00 C ATOM 1024 C ALA A 72 -9.985 1.398 7.310 1.00 0.00 C ATOM 1025 O ALA A 72 -9.437 1.531 8.406 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.466 1.673 7.130 1.00 0.00 C ATOM 0 H ALA A 72 -11.693 2.307 4.872 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.053 3.235 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.552 1.399 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.262 2.371 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.553 0.778 6.514 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.640 0.461 6.433 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.575 -0.493 6.710 1.00 0.00 C ATOM 1034 C ALA A 73 -7.213 0.189 6.697 1.00 0.00 C ATOM 1035 O ALA A 73 -6.343 -0.130 7.503 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.600 -1.631 5.700 1.00 0.00 C ATOM 0 H ALA A 73 -10.084 0.343 5.523 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.744 -0.903 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.797 -2.333 5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.559 -2.146 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.462 -1.230 4.696 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.033 1.118 5.763 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.772 1.838 5.614 1.00 0.00 C ATOM 1044 C ALA A 74 -5.438 2.639 6.867 1.00 0.00 C ATOM 1045 O ALA A 74 -4.272 2.905 7.153 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.826 2.757 4.400 1.00 0.00 C ATOM 0 H ALA A 74 -7.751 1.392 5.092 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.983 1.101 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.878 3.287 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.005 2.164 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.634 3.478 4.525 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.467 3.028 7.608 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.280 3.807 8.823 1.00 0.00 C ATOM 1054 C LYS A 75 -5.829 2.918 9.979 1.00 0.00 C ATOM 1055 O LYS A 75 -5.208 3.388 10.931 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.572 4.539 9.187 1.00 0.00 C ATOM 1057 CG LYS A 75 -7.561 6.005 8.790 1.00 0.00 C ATOM 1058 CD LYS A 75 -8.965 6.542 8.581 1.00 0.00 C ATOM 1059 CE LYS A 75 -8.939 7.949 8.008 1.00 0.00 C ATOM 1060 NZ LYS A 75 -8.633 8.966 9.048 1.00 0.00 N ATOM 0 H LYS A 75 -7.440 2.816 7.388 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.498 4.544 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.412 4.044 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.735 4.461 10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.060 6.587 9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.984 6.129 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.512 5.883 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.501 6.544 9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.193 8.004 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.904 8.174 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.625 9.912 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.359 8.931 9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.701 8.767 9.464 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.121 1.630 9.876 1.00 0.00 N ATOM 1075 CA LEU A 76 -5.722 0.673 10.900 1.00 0.00 C ATOM 1076 C LEU A 76 -4.462 -0.070 10.474 1.00 0.00 C ATOM 1077 O LEU A 76 -3.861 -0.802 11.262 1.00 0.00 O ATOM 1078 CB LEU A 76 -6.852 -0.323 11.166 1.00 0.00 C ATOM 1079 CG LEU A 76 -7.949 0.177 12.108 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.302 -0.369 11.685 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -7.638 -0.212 13.547 1.00 0.00 C ATOM 0 H LEU A 76 -6.633 1.222 9.094 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.511 1.221 11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.308 -0.594 10.214 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.422 -1.233 11.584 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.984 1.265 12.049 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.071 -0.004 12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.527 -0.037 10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.280 -1.458 11.714 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.430 0.152 14.202 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.574 -1.297 13.625 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.688 0.230 13.846 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.098 0.091 9.207 1.00 0.00 N ATOM 1094 CA ALA A 77 -2.945 -0.591 8.637 1.00 0.00 C ATOM 1095 C ALA A 77 -1.645 -0.073 9.236 1.00 0.00 C ATOM 1096 O ALA A 77 -1.383 1.129 9.228 1.00 0.00 O ATOM 1097 CB ALA A 77 -2.929 -0.426 7.124 1.00 0.00 C ATOM 0 H ALA A 77 -4.592 0.695 8.550 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.029 -1.651 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.062 -0.941 6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.839 -0.852 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.875 0.634 6.874 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.842 -0.983 9.761 1.00 0.00 N ATOM 1104 CA LYS A 78 0.423 -0.620 10.376 1.00 0.00 C ATOM 1105 C LYS A 78 1.538 -0.583 9.339 1.00 0.00 C ATOM 1106 O LYS A 78 2.118 -1.616 8.993 1.00 0.00 O ATOM 1107 CB LYS A 78 0.772 -1.600 11.496 1.00 0.00 C ATOM 1108 CG LYS A 78 0.510 -1.052 12.889 1.00 0.00 C ATOM 1109 CD LYS A 78 -0.978 -0.911 13.158 1.00 0.00 C ATOM 1110 CE LYS A 78 -1.239 -0.149 14.445 1.00 0.00 C ATOM 1111 NZ LYS A 78 -1.389 1.311 14.209 1.00 0.00 N ATOM 0 H LYS A 78 -1.045 -1.983 9.773 1.00 0.00 H new ATOM 0 HA LYS A 78 0.320 0.377 10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.194 -2.514 11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.824 -1.872 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.954 -1.714 13.632 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.994 -0.082 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.452 -0.393 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.433 -1.899 13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.143 -0.534 14.917 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.418 -0.321 15.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.566 1.793 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.517 1.685 13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.189 1.478 13.566 1.00 0.00 H new ATOM 1125 N ILE A 79 1.854 0.616 8.880 1.00 0.00 N ATOM 1126 CA ILE A 79 2.928 0.819 7.920 1.00 0.00 C ATOM 1127 C ILE A 79 4.064 1.594 8.579 1.00 0.00 C ATOM 1128 O ILE A 79 3.834 2.646 9.181 1.00 0.00 O ATOM 1129 CB ILE A 79 2.435 1.587 6.672 1.00 0.00 C ATOM 1130 CG1 ILE A 79 1.226 0.883 6.052 1.00 0.00 C ATOM 1131 CG2 ILE A 79 3.553 1.720 5.644 1.00 0.00 C ATOM 1132 CD1 ILE A 79 0.044 1.800 5.816 1.00 0.00 C ATOM 0 H ILE A 79 1.377 1.473 9.160 1.00 0.00 H new ATOM 0 HA ILE A 79 3.281 -0.160 7.598 1.00 0.00 H new ATOM 0 HB ILE A 79 2.134 2.587 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.524 0.436 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.917 0.067 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.185 2.263 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.389 2.263 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.886 0.728 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.775 1.232 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.280 2.227 6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.335 2.602 5.138 1.00 0.00 H new ATOM 1144 N PRO A 80 5.286 1.047 8.550 1.00 0.00 N ATOM 1145 CA PRO A 80 6.439 1.657 9.218 1.00 0.00 C ATOM 1146 C PRO A 80 7.048 2.805 8.411 1.00 0.00 C ATOM 1147 O PRO A 80 6.777 2.949 7.213 1.00 0.00 O ATOM 1148 CB PRO A 80 7.428 0.497 9.322 1.00 0.00 C ATOM 1149 CG PRO A 80 7.107 -0.378 8.159 1.00 0.00 C ATOM 1150 CD PRO A 80 5.625 -0.251 7.933 1.00 0.00 C ATOM 0 HA PRO A 80 6.168 2.102 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.458 0.850 9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.313 -0.039 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.663 -0.069 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.382 -1.413 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.379 -0.266 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.077 -1.071 8.398 1.00 0.00 H new ATOM 1158 N LYS A 81 7.938 3.560 9.049 1.00 0.00 N ATOM 1159 CA LYS A 81 8.666 4.624 8.376 1.00 0.00 C ATOM 1160 C LYS A 81 9.607 4.021 7.341 1.00 0.00 C ATOM 1161 O LYS A 81 10.359 3.099 7.652 1.00 0.00 O ATOM 1162 CB LYS A 81 9.460 5.455 9.393 1.00 0.00 C ATOM 1163 CG LYS A 81 10.508 6.365 8.765 1.00 0.00 C ATOM 1164 CD LYS A 81 11.150 7.280 9.794 1.00 0.00 C ATOM 1165 CE LYS A 81 10.159 8.299 10.332 1.00 0.00 C ATOM 1166 NZ LYS A 81 10.191 8.378 11.814 1.00 0.00 N ATOM 0 H LYS A 81 8.171 3.451 10.036 1.00 0.00 H new ATOM 0 HA LYS A 81 7.954 5.281 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.765 6.063 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.952 4.780 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.277 5.758 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.045 6.966 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.543 6.684 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.997 7.798 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.383 9.279 9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.153 8.034 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.500 9.084 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.952 7.449 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.143 8.656 12.126 1.00 0.00 H new ATOM 1180 N PRO A 82 9.533 4.502 6.089 1.00 0.00 N ATOM 1181 CA PRO A 82 10.336 3.984 4.980 1.00 0.00 C ATOM 1182 C PRO A 82 11.824 3.912 5.317 1.00 0.00 C ATOM 1183 O PRO A 82 12.492 4.938 5.469 1.00 0.00 O ATOM 1184 CB PRO A 82 10.089 4.990 3.840 1.00 0.00 C ATOM 1185 CG PRO A 82 9.350 6.131 4.462 1.00 0.00 C ATOM 1186 CD PRO A 82 8.623 5.558 5.639 1.00 0.00 C ATOM 0 HA PRO A 82 10.054 2.962 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.029 5.325 3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.507 4.537 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.037 6.918 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.653 6.578 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.453 6.305 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.647 5.161 5.359 1.00 0.00 H new ATOM 1194 N PRO A 83 12.359 2.688 5.449 1.00 0.00 N ATOM 1195 CA PRO A 83 13.767 2.475 5.773 1.00 0.00 C ATOM 1196 C PRO A 83 14.665 2.776 4.580 1.00 0.00 C ATOM 1197 O PRO A 83 15.814 3.190 4.735 1.00 0.00 O ATOM 1198 CB PRO A 83 13.829 0.992 6.142 1.00 0.00 C ATOM 1199 CG PRO A 83 12.696 0.363 5.409 1.00 0.00 C ATOM 1200 CD PRO A 83 11.624 1.415 5.295 1.00 0.00 C ATOM 0 HA PRO A 83 14.116 3.130 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.782 0.552 5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.731 0.849 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.013 0.023 4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.326 -0.512 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.113 1.362 4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.864 1.296 6.067 1.00 0.00 H new ATOM 1208 N SER A 84 14.110 2.605 3.391 1.00 0.00 N ATOM 1209 CA SER A 84 14.822 2.894 2.162 1.00 0.00 C ATOM 1210 C SER A 84 14.269 4.163 1.520 1.00 0.00 C ATOM 1211 O SER A 84 13.073 4.256 1.230 1.00 0.00 O ATOM 1212 CB SER A 84 14.702 1.706 1.203 1.00 0.00 C ATOM 1213 OG SER A 84 14.281 0.539 1.895 1.00 0.00 O ATOM 0 H SER A 84 13.159 2.264 3.253 1.00 0.00 H new ATOM 0 HA SER A 84 15.876 3.056 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.990 1.942 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.663 1.522 0.722 1.00 0.00 H new ATOM 0 HG SER A 84 14.209 -0.207 1.264 1.00 0.00 H new ATOM 1219 N GLN A 85 15.133 5.158 1.356 1.00 0.00 N ATOM 1220 CA GLN A 85 14.733 6.449 0.810 1.00 0.00 C ATOM 1221 C GLN A 85 14.185 6.301 -0.606 1.00 0.00 C ATOM 1222 O GLN A 85 13.274 7.027 -1.002 1.00 0.00 O ATOM 1223 CB GLN A 85 15.918 7.415 0.817 1.00 0.00 C ATOM 1224 CG GLN A 85 15.513 8.878 0.718 1.00 0.00 C ATOM 1225 CD GLN A 85 14.782 9.380 1.952 1.00 0.00 C ATOM 1226 OE1 GLN A 85 14.537 8.635 2.902 1.00 0.00 O ATOM 1227 NE2 GLN A 85 14.430 10.652 1.948 1.00 0.00 N ATOM 0 H GLN A 85 16.122 5.094 1.596 1.00 0.00 H new ATOM 0 HA GLN A 85 13.940 6.852 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.491 7.267 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.578 7.173 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.404 9.485 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.875 9.014 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.650 11.239 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.938 11.048 2.749 1.00 0.00 H new ATOM 1236 N ALA A 86 14.710 5.330 -1.346 1.00 0.00 N ATOM 1237 CA ALA A 86 14.237 5.058 -2.699 1.00 0.00 C ATOM 1238 C ALA A 86 12.749 4.710 -2.697 1.00 0.00 C ATOM 1239 O ALA A 86 11.997 5.143 -3.570 1.00 0.00 O ATOM 1240 CB ALA A 86 15.043 3.930 -3.320 1.00 0.00 C ATOM 0 H ALA A 86 15.463 4.718 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 86 14.374 5.959 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.680 3.737 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.095 4.214 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.933 3.029 -2.716 1.00 0.00 H new ATOM 1246 N VAL A 87 12.327 3.979 -1.674 1.00 0.00 N ATOM 1247 CA VAL A 87 10.925 3.621 -1.499 1.00 0.00 C ATOM 1248 C VAL A 87 10.086 4.863 -1.208 1.00 0.00 C ATOM 1249 O VAL A 87 9.010 5.053 -1.782 1.00 0.00 O ATOM 1250 CB VAL A 87 10.759 2.604 -0.346 1.00 0.00 C ATOM 1251 CG1 VAL A 87 9.294 2.276 -0.104 1.00 0.00 C ATOM 1252 CG2 VAL A 87 11.547 1.337 -0.637 1.00 0.00 C ATOM 0 H VAL A 87 12.943 3.619 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 87 10.578 3.165 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 87 11.153 3.061 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.212 1.559 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.756 3.187 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.863 1.847 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.419 0.632 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.184 0.887 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.604 1.582 -0.743 1.00 0.00 H new ATOM 1262 N TYR A 88 10.599 5.709 -0.323 1.00 0.00 N ATOM 1263 CA TYR A 88 9.921 6.943 0.055 1.00 0.00 C ATOM 1264 C TYR A 88 9.768 7.872 -1.146 1.00 0.00 C ATOM 1265 O TYR A 88 8.715 8.477 -1.339 1.00 0.00 O ATOM 1266 CB TYR A 88 10.704 7.638 1.178 1.00 0.00 C ATOM 1267 CG TYR A 88 10.434 9.122 1.317 1.00 0.00 C ATOM 1268 CD1 TYR A 88 9.246 9.588 1.866 1.00 0.00 C ATOM 1269 CD2 TYR A 88 11.377 10.055 0.908 1.00 0.00 C ATOM 1270 CE1 TYR A 88 9.006 10.943 2.001 1.00 0.00 C ATOM 1271 CE2 TYR A 88 11.144 11.411 1.038 1.00 0.00 C ATOM 1272 CZ TYR A 88 9.959 11.851 1.586 1.00 0.00 C ATOM 1273 OH TYR A 88 9.729 13.201 1.722 1.00 0.00 O ATOM 0 H TYR A 88 11.490 5.561 0.150 1.00 0.00 H new ATOM 0 HA TYR A 88 8.922 6.697 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.466 7.150 2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 88 11.770 7.492 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.498 8.881 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.309 9.715 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.077 11.289 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.888 12.123 0.711 1.00 0.00 H new ATOM 0 HH TYR A 88 10.501 13.700 1.382 1.00 0.00 H new ATOM 1283 N GLU A 89 10.830 7.989 -1.935 1.00 0.00 N ATOM 1284 CA GLU A 89 10.831 8.863 -3.104 1.00 0.00 C ATOM 1285 C GLU A 89 9.717 8.488 -4.078 1.00 0.00 C ATOM 1286 O GLU A 89 9.168 9.347 -4.769 1.00 0.00 O ATOM 1287 CB GLU A 89 12.185 8.795 -3.809 1.00 0.00 C ATOM 1288 CG GLU A 89 13.264 9.618 -3.129 1.00 0.00 C ATOM 1289 CD GLU A 89 13.453 10.975 -3.771 1.00 0.00 C ATOM 1290 OE1 GLU A 89 12.495 11.780 -3.777 1.00 0.00 O ATOM 1291 OE2 GLU A 89 14.560 11.250 -4.275 1.00 0.00 O ATOM 0 H GLU A 89 11.706 7.487 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 89 10.653 9.882 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.509 7.755 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.069 9.141 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.007 9.750 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.206 9.071 -3.160 1.00 0.00 H new ATOM 1298 N VAL A 90 9.400 7.205 -4.140 1.00 0.00 N ATOM 1299 CA VAL A 90 8.371 6.719 -5.043 1.00 0.00 C ATOM 1300 C VAL A 90 6.982 6.812 -4.410 1.00 0.00 C ATOM 1301 O VAL A 90 6.058 7.361 -5.011 1.00 0.00 O ATOM 1302 CB VAL A 90 8.645 5.256 -5.469 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.557 4.751 -6.406 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.012 5.137 -6.131 1.00 0.00 C ATOM 0 H VAL A 90 9.842 6.480 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 90 8.398 7.357 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 90 8.639 4.637 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.772 3.721 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.592 4.794 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.527 5.376 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.186 4.101 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.045 5.774 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.785 5.451 -5.429 1.00 0.00 H new ATOM 1314 N PHE A 91 6.813 6.154 -3.267 1.00 0.00 N ATOM 1315 CA PHE A 91 5.497 6.013 -2.638 1.00 0.00 C ATOM 1316 C PHE A 91 4.913 7.340 -2.165 1.00 0.00 C ATOM 1317 O PHE A 91 3.703 7.445 -1.951 1.00 0.00 O ATOM 1318 CB PHE A 91 5.571 5.030 -1.469 1.00 0.00 C ATOM 1319 CG PHE A 91 5.237 3.621 -1.862 1.00 0.00 C ATOM 1320 CD1 PHE A 91 4.058 3.335 -2.531 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.104 2.584 -1.564 1.00 0.00 C ATOM 1322 CE1 PHE A 91 3.750 2.039 -2.895 1.00 0.00 C ATOM 1323 CE2 PHE A 91 5.802 1.286 -1.927 1.00 0.00 C ATOM 1324 CZ PHE A 91 4.624 1.014 -2.593 1.00 0.00 C ATOM 0 H PHE A 91 7.572 5.707 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 91 4.826 5.628 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.575 5.054 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.886 5.354 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.372 4.134 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.026 2.792 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.827 1.828 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.487 0.485 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.386 -0.000 -2.878 1.00 0.00 H new ATOM 1334 N LYS A 92 5.754 8.351 -2.009 1.00 0.00 N ATOM 1335 CA LYS A 92 5.284 9.659 -1.563 1.00 0.00 C ATOM 1336 C LYS A 92 4.385 10.305 -2.618 1.00 0.00 C ATOM 1337 O LYS A 92 3.666 11.262 -2.333 1.00 0.00 O ATOM 1338 CB LYS A 92 6.462 10.580 -1.235 1.00 0.00 C ATOM 1339 CG LYS A 92 7.161 11.149 -2.456 1.00 0.00 C ATOM 1340 CD LYS A 92 8.054 12.317 -2.085 1.00 0.00 C ATOM 1341 CE LYS A 92 9.507 12.034 -2.424 1.00 0.00 C ATOM 1342 NZ LYS A 92 9.910 12.659 -3.711 1.00 0.00 N ATOM 0 H LYS A 92 6.758 8.295 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 92 4.699 9.510 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.104 11.404 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.188 10.026 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.756 10.370 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.418 11.473 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.723 13.212 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.961 12.523 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.146 12.408 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.663 10.957 -2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.939 12.573 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.428 12.177 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.645 13.665 -3.707 1.00 0.00 H new ATOM 1356 N ASN A 93 4.404 9.754 -3.828 1.00 0.00 N ATOM 1357 CA ASN A 93 3.567 10.258 -4.907 1.00 0.00 C ATOM 1358 C ASN A 93 3.256 9.153 -5.908 1.00 0.00 C ATOM 1359 O ASN A 93 3.348 9.347 -7.122 1.00 0.00 O ATOM 1360 CB ASN A 93 4.253 11.429 -5.613 1.00 0.00 C ATOM 1361 CG ASN A 93 3.260 12.466 -6.099 1.00 0.00 C ATOM 1362 OD1 ASN A 93 2.906 13.395 -5.371 1.00 0.00 O ATOM 1363 ND2 ASN A 93 2.801 12.312 -7.330 1.00 0.00 N ATOM 0 H ASN A 93 4.990 8.959 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 93 2.630 10.608 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.961 11.898 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.828 11.054 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.127 12.977 -7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.121 11.528 -7.899 1.00 0.00 H new ATOM 1370 N ALA A 94 2.866 7.997 -5.393 1.00 0.00 N ATOM 1371 CA ALA A 94 2.514 6.869 -6.239 1.00 0.00 C ATOM 1372 C ALA A 94 1.227 6.214 -5.759 1.00 0.00 C ATOM 1373 O ALA A 94 1.226 5.476 -4.775 1.00 0.00 O ATOM 1374 CB ALA A 94 3.645 5.850 -6.276 1.00 0.00 C ATOM 0 H ALA A 94 2.786 7.816 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 94 2.353 7.243 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.361 5.014 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.545 6.320 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.840 5.486 -5.267 1.00 0.00 H new ATOM 1380 N PRO A 95 0.105 6.507 -6.431 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.205 5.973 -6.059 1.00 0.00 C ATOM 1382 C PRO A 95 -1.322 4.493 -6.398 1.00 0.00 C ATOM 1383 O PRO A 95 -0.921 4.055 -7.481 1.00 0.00 O ATOM 1384 CB PRO A 95 -2.191 6.795 -6.905 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.390 7.931 -7.451 1.00 0.00 C ATOM 1386 CD PRO A 95 0.009 7.409 -7.581 1.00 0.00 C ATOM 0 HA PRO A 95 -1.390 6.048 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.618 6.193 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.023 7.155 -6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.778 8.257 -8.416 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.427 8.793 -6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.163 6.885 -8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.749 8.208 -7.536 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.792 3.715 -5.436 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.866 2.273 -5.592 1.00 0.00 C ATOM 1396 C LEU A 96 -3.188 1.853 -6.219 1.00 0.00 C ATOM 1397 O LEU A 96 -4.243 2.416 -5.919 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.692 1.584 -4.234 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.559 0.560 -4.168 1.00 0.00 C ATOM 1400 CD1 LEU A 96 0.231 0.717 -2.877 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -1.110 -0.855 -4.292 1.00 0.00 C ATOM 0 H LEU A 96 -2.129 4.060 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.060 1.967 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.516 2.348 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.626 1.087 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 96 0.116 0.740 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.033 -0.021 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.658 1.719 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.431 0.566 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.289 -1.571 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.808 -1.047 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.628 -0.962 -5.245 1.00 0.00 H new ATOM 1413 N ASP A 97 -3.130 0.799 -7.016 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.324 0.216 -7.604 1.00 0.00 C ATOM 1415 C ASP A 97 -4.766 -0.965 -6.756 1.00 0.00 C ATOM 1416 O ASP A 97 -4.176 -2.044 -6.816 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.053 -0.226 -9.042 1.00 0.00 C ATOM 1418 CG ASP A 97 -5.326 -0.500 -9.813 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -6.062 0.464 -10.118 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.583 -1.678 -10.132 1.00 0.00 O ATOM 0 H ASP A 97 -2.263 0.327 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.118 0.962 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.481 0.547 -9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.437 -1.125 -9.032 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.713 -0.708 -5.871 1.00 0.00 N ATOM 1426 CA PHE A 98 -6.141 -1.690 -4.895 1.00 0.00 C ATOM 1427 C PHE A 98 -6.970 -2.791 -5.541 1.00 0.00 C ATOM 1428 O PHE A 98 -8.146 -2.608 -5.852 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.942 -1.016 -3.778 1.00 0.00 C ATOM 1430 CG PHE A 98 -7.321 -1.944 -2.662 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -6.345 -2.568 -1.904 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.652 -2.193 -2.372 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -6.690 -3.423 -0.877 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -9.003 -3.047 -1.345 1.00 0.00 C ATOM 1435 CZ PHE A 98 -8.021 -3.664 -0.596 1.00 0.00 C ATOM 0 H PHE A 98 -6.204 0.184 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.247 -2.146 -4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.357 -0.192 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.848 -0.584 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -5.303 -2.384 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.424 -1.714 -2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.919 -3.904 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.045 -3.232 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.292 -4.333 0.207 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.379 -3.963 -5.625 1.00 0.00 N ATOM 1446 CA LYS A 99 -7.077 -5.142 -6.091 1.00 0.00 C ATOM 1447 C LYS A 99 -6.773 -6.288 -5.147 1.00 0.00 C ATOM 1448 O LYS A 99 -5.633 -6.416 -4.697 1.00 0.00 O ATOM 1449 CB LYS A 99 -6.660 -5.500 -7.523 1.00 0.00 C ATOM 1450 CG LYS A 99 -5.160 -5.447 -7.765 1.00 0.00 C ATOM 1451 CD LYS A 99 -4.836 -5.488 -9.249 1.00 0.00 C ATOM 1452 CE LYS A 99 -3.719 -4.521 -9.604 1.00 0.00 C ATOM 1453 NZ LYS A 99 -4.053 -3.701 -10.799 1.00 0.00 N ATOM 0 H LYS A 99 -5.404 -4.126 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.149 -4.946 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.019 -6.503 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.153 -4.817 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.751 -4.537 -7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.679 -6.286 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.545 -6.500 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.728 -5.241 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.525 -3.864 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.802 -5.079 -9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.280 -3.031 -10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.180 -4.323 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.932 -3.174 -10.624 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.801 -7.068 -4.765 1.00 0.00 N ATOM 1468 CA PRO A 100 -7.684 -8.155 -3.789 1.00 0.00 C ATOM 1469 C PRO A 100 -6.356 -8.910 -3.877 1.00 0.00 C ATOM 1470 O PRO A 100 -5.913 -9.292 -4.966 1.00 0.00 O ATOM 1471 CB PRO A 100 -8.849 -9.052 -4.178 1.00 0.00 C ATOM 1472 CG PRO A 100 -9.905 -8.116 -4.662 1.00 0.00 C ATOM 1473 CD PRO A 100 -9.203 -6.886 -5.185 1.00 0.00 C ATOM 0 HA PRO A 100 -7.707 -7.796 -2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.561 -9.760 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.199 -9.637 -3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.502 -8.581 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.588 -7.855 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.288 -6.809 -6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.630 -5.975 -4.766 1.00 0.00 H new