USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=10 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 Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.4!) USER MOD Single : A 19 TYR OH : rot -62:sc= 0.0449 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 0.439 (180deg=0.127) USER MOD Single : A 25 SER OG : rot 74:sc= 0.916 USER MOD Single : A 29 SER OG : rot 92:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 1.11 (180deg=0.653) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.22) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.544 K(o=-0.54,f=-1.4) 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 84:sc= 0.112 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 88 TYR OH : rot -18:sc= 1.19 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 11.653 -1.381 -3.482 1.00 0.00 N ATOM 191 CA ILE A 16 10.373 -0.866 -3.954 1.00 0.00 C ATOM 192 C ILE A 16 9.346 -1.990 -4.058 1.00 0.00 C ATOM 193 O ILE A 16 8.199 -1.841 -3.636 1.00 0.00 O ATOM 194 CB ILE A 16 10.522 -0.183 -5.335 1.00 0.00 C ATOM 195 CG1 ILE A 16 11.719 0.778 -5.341 1.00 0.00 C ATOM 196 CG2 ILE A 16 9.245 0.550 -5.719 1.00 0.00 C ATOM 197 CD1 ILE A 16 11.619 1.898 -4.327 1.00 0.00 C ATOM 0 HA ILE A 16 10.030 -0.128 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 16 10.704 -0.961 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.629 0.209 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.818 1.211 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.375 1.022 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.419 -0.159 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.025 1.314 -4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.503 2.531 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.729 2.494 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.552 1.476 -3.324 1.00 0.00 H new ATOM 209 N ASN A 17 9.780 -3.123 -4.596 1.00 0.00 N ATOM 210 CA ASN A 17 8.922 -4.295 -4.736 1.00 0.00 C ATOM 211 C ASN A 17 8.419 -4.773 -3.377 1.00 0.00 C ATOM 212 O ASN A 17 7.244 -5.117 -3.224 1.00 0.00 O ATOM 213 CB ASN A 17 9.686 -5.423 -5.452 1.00 0.00 C ATOM 214 CG ASN A 17 9.400 -6.804 -4.883 1.00 0.00 C ATOM 215 OD1 ASN A 17 8.368 -7.413 -5.180 1.00 0.00 O ATOM 216 ND2 ASN A 17 10.318 -7.315 -4.070 1.00 0.00 N ATOM 0 H ASN A 17 10.729 -3.256 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 17 8.055 -4.016 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.425 -5.413 -6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.756 -5.226 -5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.183 -8.242 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.158 -6.780 -3.849 1.00 0.00 H new ATOM 223 N ASN A 18 9.316 -4.817 -2.401 1.00 0.00 N ATOM 224 CA ASN A 18 8.968 -5.288 -1.066 1.00 0.00 C ATOM 225 C ASN A 18 8.025 -4.314 -0.372 1.00 0.00 C ATOM 226 O ASN A 18 7.155 -4.718 0.400 1.00 0.00 O ATOM 227 CB ASN A 18 10.226 -5.492 -0.224 1.00 0.00 C ATOM 228 CG ASN A 18 10.164 -6.764 0.596 1.00 0.00 C ATOM 229 OD1 ASN A 18 9.095 -7.345 0.789 1.00 0.00 O ATOM 230 ND2 ASN A 18 11.311 -7.216 1.075 1.00 0.00 N ATOM 0 H ASN A 18 10.290 -4.533 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 18 8.457 -6.245 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.098 -5.525 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.359 -4.639 0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.331 -8.074 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.176 -6.706 0.894 1.00 0.00 H new ATOM 237 N TYR A 19 8.192 -3.032 -0.670 1.00 0.00 N ATOM 238 CA TYR A 19 7.345 -1.995 -0.099 1.00 0.00 C ATOM 239 C TYR A 19 5.946 -2.045 -0.706 1.00 0.00 C ATOM 240 O TYR A 19 4.950 -2.006 0.016 1.00 0.00 O ATOM 241 CB TYR A 19 7.962 -0.616 -0.338 1.00 0.00 C ATOM 242 CG TYR A 19 7.902 0.309 0.858 1.00 0.00 C ATOM 243 CD1 TYR A 19 8.548 -0.013 2.047 1.00 0.00 C ATOM 244 CD2 TYR A 19 7.217 1.515 0.791 1.00 0.00 C ATOM 245 CE1 TYR A 19 8.512 0.842 3.133 1.00 0.00 C ATOM 246 CE2 TYR A 19 7.173 2.373 1.874 1.00 0.00 C ATOM 247 CZ TYR A 19 7.823 2.034 3.041 1.00 0.00 C ATOM 248 OH TYR A 19 7.797 2.895 4.114 1.00 0.00 O ATOM 0 H TYR A 19 8.910 -2.685 -1.307 1.00 0.00 H new ATOM 0 HA TYR A 19 7.267 -2.172 0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.004 -0.743 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.450 -0.142 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.086 -0.946 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.710 1.787 -0.123 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.021 0.578 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.632 3.305 1.806 1.00 0.00 H new ATOM 0 HH TYR A 19 7.358 2.458 4.874 1.00 0.00 H new ATOM 258 N ALA A 20 5.884 -2.118 -2.036 1.00 0.00 N ATOM 259 CA ALA A 20 4.612 -2.152 -2.755 1.00 0.00 C ATOM 260 C ALA A 20 3.760 -3.332 -2.309 1.00 0.00 C ATOM 261 O ALA A 20 2.580 -3.175 -1.982 1.00 0.00 O ATOM 262 CB ALA A 20 4.854 -2.222 -4.256 1.00 0.00 C ATOM 0 H ALA A 20 6.706 -2.155 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 20 4.072 -1.234 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.897 -2.247 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.419 -1.346 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.419 -3.124 -4.492 1.00 0.00 H new ATOM 268 N GLY A 21 4.370 -4.509 -2.277 1.00 0.00 N ATOM 269 CA GLY A 21 3.664 -5.699 -1.854 1.00 0.00 C ATOM 270 C GLY A 21 3.178 -5.602 -0.423 1.00 0.00 C ATOM 271 O GLY A 21 2.055 -6.000 -0.116 1.00 0.00 O ATOM 0 H GLY A 21 5.345 -4.660 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.813 -5.867 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.321 -6.563 -1.954 1.00 0.00 H new ATOM 275 N GLN A 22 4.034 -5.089 0.457 1.00 0.00 N ATOM 276 CA GLN A 22 3.702 -4.966 1.875 1.00 0.00 C ATOM 277 C GLN A 22 2.485 -4.063 2.093 1.00 0.00 C ATOM 278 O GLN A 22 1.697 -4.295 3.006 1.00 0.00 O ATOM 279 CB GLN A 22 4.921 -4.463 2.670 1.00 0.00 C ATOM 280 CG GLN A 22 4.799 -3.040 3.203 1.00 0.00 C ATOM 281 CD GLN A 22 4.471 -3.000 4.684 1.00 0.00 C ATOM 282 OE1 GLN A 22 5.287 -3.383 5.524 1.00 0.00 O ATOM 283 NE2 GLN A 22 3.274 -2.542 5.012 1.00 0.00 N ATOM 0 H GLN A 22 4.965 -4.751 0.213 1.00 0.00 H new ATOM 0 HA GLN A 22 3.436 -5.956 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.091 -5.136 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.802 -4.521 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.734 -2.508 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.023 -2.513 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.629 -2.235 4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.997 -2.496 5.992 1.00 0.00 H new ATOM 292 N ILE A 23 2.314 -3.055 1.240 1.00 0.00 N ATOM 293 CA ILE A 23 1.165 -2.163 1.350 1.00 0.00 C ATOM 294 C ILE A 23 -0.123 -2.913 1.021 1.00 0.00 C ATOM 295 O ILE A 23 -1.123 -2.796 1.734 1.00 0.00 O ATOM 296 CB ILE A 23 1.297 -0.932 0.425 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.566 -0.145 0.766 1.00 0.00 C ATOM 298 CG2 ILE A 23 0.070 -0.036 0.547 1.00 0.00 C ATOM 299 CD1 ILE A 23 3.021 0.780 -0.342 1.00 0.00 C ATOM 0 H ILE A 23 2.950 -2.838 0.473 1.00 0.00 H new ATOM 0 HA ILE A 23 1.131 -1.808 2.380 1.00 0.00 H new ATOM 0 HB ILE A 23 1.368 -1.281 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.389 0.441 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.368 -0.847 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.181 0.825 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.820 -0.597 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.030 0.306 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.924 1.304 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.231 0.198 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.236 1.505 -0.556 1.00 0.00 H new ATOM 311 N LYS A 24 -0.069 -3.735 -0.022 1.00 0.00 N ATOM 312 CA LYS A 24 -1.208 -4.562 -0.405 1.00 0.00 C ATOM 313 C LYS A 24 -1.523 -5.587 0.685 1.00 0.00 C ATOM 314 O LYS A 24 -2.689 -5.824 1.007 1.00 0.00 O ATOM 315 CB LYS A 24 -0.931 -5.274 -1.731 1.00 0.00 C ATOM 316 CG LYS A 24 -1.175 -4.404 -2.951 1.00 0.00 C ATOM 317 CD LYS A 24 -1.876 -5.172 -4.061 1.00 0.00 C ATOM 318 CE LYS A 24 -0.943 -5.430 -5.235 1.00 0.00 C ATOM 319 NZ LYS A 24 -1.484 -4.894 -6.513 1.00 0.00 N ATOM 0 H LYS A 24 0.752 -3.846 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.073 -3.911 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.104 -5.617 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.561 -6.161 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.779 -3.542 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.224 -4.020 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.244 -6.121 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.745 -4.609 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.026 -4.974 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.776 -6.502 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.697 -4.654 -7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.087 -5.612 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.047 -4.041 -6.321 1.00 0.00 H new ATOM 333 N SER A 25 -0.474 -6.162 1.267 1.00 0.00 N ATOM 334 CA SER A 25 -0.623 -7.128 2.348 1.00 0.00 C ATOM 335 C SER A 25 -1.236 -6.474 3.585 1.00 0.00 C ATOM 336 O SER A 25 -2.093 -7.060 4.246 1.00 0.00 O ATOM 337 CB SER A 25 0.736 -7.739 2.700 1.00 0.00 C ATOM 338 OG SER A 25 1.408 -8.189 1.535 1.00 0.00 O ATOM 0 H SER A 25 0.493 -5.973 1.005 1.00 0.00 H new ATOM 0 HA SER A 25 -1.294 -7.917 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.349 -6.999 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.597 -8.572 3.389 1.00 0.00 H new ATOM 0 HG SER A 25 1.753 -7.418 1.038 1.00 0.00 H new ATOM 344 N ALA A 26 -0.778 -5.263 3.893 1.00 0.00 N ATOM 345 CA ALA A 26 -1.258 -4.520 5.053 1.00 0.00 C ATOM 346 C ALA A 26 -2.769 -4.342 5.010 1.00 0.00 C ATOM 347 O ALA A 26 -3.461 -4.606 5.992 1.00 0.00 O ATOM 348 CB ALA A 26 -0.580 -3.160 5.124 1.00 0.00 C ATOM 0 H ALA A 26 -0.068 -4.773 3.349 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.008 -5.096 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.947 -2.616 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.498 -3.295 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.805 -2.594 4.220 1.00 0.00 H new ATOM 354 N ILE A 27 -3.265 -3.867 3.876 1.00 0.00 N ATOM 355 CA ILE A 27 -4.689 -3.615 3.705 1.00 0.00 C ATOM 356 C ILE A 27 -5.502 -4.905 3.805 1.00 0.00 C ATOM 357 O ILE A 27 -6.546 -4.941 4.457 1.00 0.00 O ATOM 358 CB ILE A 27 -4.964 -2.927 2.352 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.308 -1.544 2.331 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.460 -2.822 2.087 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.577 -0.753 1.066 1.00 0.00 C ATOM 0 H ILE A 27 -2.699 -3.647 3.057 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.000 -2.951 4.512 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.531 -3.534 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.664 -0.972 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.231 -1.662 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.626 -2.333 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.897 -3.820 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.929 -2.237 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.078 0.214 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.196 -1.303 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.650 -0.601 0.953 1.00 0.00 H new ATOM 373 N GLU A 28 -5.019 -5.960 3.163 1.00 0.00 N ATOM 374 CA GLU A 28 -5.707 -7.245 3.178 1.00 0.00 C ATOM 375 C GLU A 28 -5.726 -7.843 4.588 1.00 0.00 C ATOM 376 O GLU A 28 -6.643 -8.581 4.947 1.00 0.00 O ATOM 377 CB GLU A 28 -5.043 -8.194 2.172 1.00 0.00 C ATOM 378 CG GLU A 28 -4.633 -9.545 2.741 1.00 0.00 C ATOM 379 CD GLU A 28 -3.233 -9.942 2.333 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.645 -9.260 1.470 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.717 -10.949 2.861 1.00 0.00 O ATOM 0 H GLU A 28 -4.153 -5.952 2.625 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.745 -7.097 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.730 -8.359 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.159 -7.705 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.696 -9.512 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.336 -10.307 2.404 1.00 0.00 H new ATOM 388 N SER A 29 -4.745 -7.477 5.404 1.00 0.00 N ATOM 389 CA SER A 29 -4.693 -7.940 6.785 1.00 0.00 C ATOM 390 C SER A 29 -5.697 -7.186 7.656 1.00 0.00 C ATOM 391 O SER A 29 -5.832 -7.466 8.847 1.00 0.00 O ATOM 392 CB SER A 29 -3.281 -7.776 7.355 1.00 0.00 C ATOM 393 OG SER A 29 -2.313 -8.385 6.515 1.00 0.00 O ATOM 0 H SER A 29 -3.977 -6.863 5.134 1.00 0.00 H new ATOM 0 HA SER A 29 -4.957 -8.998 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.053 -6.716 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.234 -8.220 8.349 1.00 0.00 H new ATOM 0 HG SER A 29 -1.976 -7.726 5.873 1.00 0.00 H new ATOM 399 N LYS A 30 -6.407 -6.234 7.059 1.00 0.00 N ATOM 400 CA LYS A 30 -7.401 -5.455 7.785 1.00 0.00 C ATOM 401 C LYS A 30 -8.799 -5.725 7.239 1.00 0.00 C ATOM 402 O LYS A 30 -9.783 -5.153 7.713 1.00 0.00 O ATOM 403 CB LYS A 30 -7.087 -3.958 7.694 1.00 0.00 C ATOM 404 CG LYS A 30 -5.643 -3.608 8.017 1.00 0.00 C ATOM 405 CD LYS A 30 -5.269 -4.003 9.438 1.00 0.00 C ATOM 406 CE LYS A 30 -3.782 -4.287 9.558 1.00 0.00 C ATOM 407 NZ LYS A 30 -3.152 -3.506 10.656 1.00 0.00 N ATOM 0 H LYS A 30 -6.312 -5.984 6.075 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.367 -5.758 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.318 -3.609 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.743 -3.418 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.981 -4.113 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.491 -2.537 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.545 -3.203 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.835 -4.886 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.630 -5.351 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.290 -4.048 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.129 -3.427 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.572 -2.555 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.314 -3.989 11.563 1.00 0.00 H new ATOM 421 N PHE A 31 -8.887 -6.619 6.266 1.00 0.00 N ATOM 422 CA PHE A 31 -10.166 -6.986 5.684 1.00 0.00 C ATOM 423 C PHE A 31 -10.852 -8.032 6.562 1.00 0.00 C ATOM 424 O PHE A 31 -10.194 -8.934 7.081 1.00 0.00 O ATOM 425 CB PHE A 31 -9.967 -7.486 4.240 1.00 0.00 C ATOM 426 CG PHE A 31 -10.401 -6.484 3.206 1.00 0.00 C ATOM 427 CD1 PHE A 31 -11.211 -5.413 3.555 1.00 0.00 C ATOM 428 CD2 PHE A 31 -10.005 -6.617 1.888 1.00 0.00 C ATOM 429 CE1 PHE A 31 -11.617 -4.496 2.606 1.00 0.00 C ATOM 430 CE2 PHE A 31 -10.407 -5.701 0.934 1.00 0.00 C ATOM 431 CZ PHE A 31 -11.215 -4.640 1.294 1.00 0.00 C ATOM 0 H PHE A 31 -8.085 -7.104 5.863 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.815 -6.111 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.915 -7.726 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.528 -8.410 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.528 -5.295 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.375 -7.446 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.248 -3.667 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.090 -5.815 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.532 -3.924 0.550 1.00 0.00 H new ATOM 544 N LYS A 40 -13.861 -7.171 -8.396 1.00 0.00 N ATOM 545 CA LYS A 40 -13.778 -5.725 -8.543 1.00 0.00 C ATOM 546 C LYS A 40 -12.350 -5.249 -8.318 1.00 0.00 C ATOM 547 O LYS A 40 -11.564 -5.915 -7.647 1.00 0.00 O ATOM 548 CB LYS A 40 -14.729 -5.007 -7.571 1.00 0.00 C ATOM 549 CG LYS A 40 -15.242 -5.872 -6.431 1.00 0.00 C ATOM 550 CD LYS A 40 -16.359 -5.177 -5.665 1.00 0.00 C ATOM 551 CE LYS A 40 -17.731 -5.677 -6.094 1.00 0.00 C ATOM 552 NZ LYS A 40 -18.657 -4.557 -6.420 1.00 0.00 N ATOM 0 HA LYS A 40 -14.082 -5.478 -9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.213 -4.144 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -15.582 -4.626 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.606 -6.820 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.422 -6.104 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.228 -5.347 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.297 -4.101 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.625 -6.324 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.162 -6.283 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.585 -4.941 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.766 -3.943 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.268 -4.003 -7.210 1.00 0.00 H new ATOM 566 N THR A 41 -12.037 -4.076 -8.844 1.00 0.00 N ATOM 567 CA THR A 41 -10.721 -3.476 -8.663 1.00 0.00 C ATOM 568 C THR A 41 -10.854 -2.095 -8.019 1.00 0.00 C ATOM 569 O THR A 41 -11.942 -1.519 -8.010 1.00 0.00 O ATOM 570 CB THR A 41 -9.983 -3.349 -10.009 1.00 0.00 C ATOM 571 OG1 THR A 41 -10.469 -4.342 -10.925 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.480 -3.513 -9.828 1.00 0.00 C ATOM 0 H THR A 41 -12.680 -3.516 -9.404 1.00 0.00 H new ATOM 0 HA THR A 41 -10.142 -4.127 -8.008 1.00 0.00 H new ATOM 0 HB THR A 41 -10.174 -2.353 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.998 -4.256 -11.780 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.985 -3.419 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.109 -2.742 -9.153 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.269 -4.496 -9.407 1.00 0.00 H new ATOM 580 N CYS A 42 -9.765 -1.580 -7.461 1.00 0.00 N ATOM 581 CA CYS A 42 -9.789 -0.281 -6.802 1.00 0.00 C ATOM 582 C CYS A 42 -8.453 0.434 -6.979 1.00 0.00 C ATOM 583 O CYS A 42 -7.392 -0.189 -6.935 1.00 0.00 O ATOM 584 CB CYS A 42 -10.113 -0.447 -5.313 1.00 0.00 C ATOM 585 SG CYS A 42 -10.127 1.112 -4.366 1.00 0.00 S ATOM 0 H CYS A 42 -8.856 -2.042 -7.452 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.568 0.327 -7.263 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -11.088 -0.925 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.382 -1.122 -4.868 1.00 0.00 H new ATOM 590 N THR A 43 -8.511 1.746 -7.170 1.00 0.00 N ATOM 591 CA THR A 43 -7.314 2.555 -7.338 1.00 0.00 C ATOM 592 C THR A 43 -7.315 3.721 -6.356 1.00 0.00 C ATOM 593 O THR A 43 -8.052 4.695 -6.530 1.00 0.00 O ATOM 594 CB THR A 43 -7.205 3.099 -8.774 1.00 0.00 C ATOM 595 OG1 THR A 43 -7.903 2.232 -9.679 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.749 3.219 -9.196 1.00 0.00 C ATOM 0 H THR A 43 -9.382 2.274 -7.212 1.00 0.00 H new ATOM 0 HA THR A 43 -6.455 1.914 -7.140 1.00 0.00 H new ATOM 0 HB THR A 43 -7.656 4.091 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.831 2.585 -10.591 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.696 3.605 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.230 3.900 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.276 2.238 -9.155 1.00 0.00 H new ATOM 604 N LEU A 44 -6.508 3.605 -5.312 1.00 0.00 N ATOM 605 CA LEU A 44 -6.439 4.636 -4.287 1.00 0.00 C ATOM 606 C LEU A 44 -5.159 5.447 -4.418 1.00 0.00 C ATOM 607 O LEU A 44 -4.057 4.906 -4.326 1.00 0.00 O ATOM 608 CB LEU A 44 -6.511 4.015 -2.888 1.00 0.00 C ATOM 609 CG LEU A 44 -7.590 2.948 -2.700 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.994 1.688 -2.091 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.718 3.479 -1.827 1.00 0.00 C ATOM 0 H LEU A 44 -5.892 2.808 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.293 5.299 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.542 3.573 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.681 4.811 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.000 2.697 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.776 0.940 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.220 1.296 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.558 1.924 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.477 2.707 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.322 3.758 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.164 4.354 -2.301 1.00 0.00 H new ATOM 623 N ARG A 45 -5.308 6.760 -4.517 1.00 0.00 N ATOM 624 CA ARG A 45 -4.164 7.651 -4.517 1.00 0.00 C ATOM 625 C ARG A 45 -3.610 7.736 -3.102 1.00 0.00 C ATOM 626 O ARG A 45 -4.358 7.976 -2.151 1.00 0.00 O ATOM 627 CB ARG A 45 -4.561 9.045 -5.039 1.00 0.00 C ATOM 628 CG ARG A 45 -4.127 10.198 -4.140 1.00 0.00 C ATOM 629 CD ARG A 45 -4.182 11.530 -4.865 1.00 0.00 C ATOM 630 NE ARG A 45 -5.489 11.769 -5.466 1.00 0.00 N ATOM 631 CZ ARG A 45 -6.445 12.516 -4.914 1.00 0.00 C ATOM 632 NH1 ARG A 45 -6.271 13.058 -3.711 1.00 0.00 N ATOM 633 NH2 ARG A 45 -7.585 12.701 -5.561 1.00 0.00 N ATOM 0 H ARG A 45 -6.210 7.229 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.395 7.261 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.126 9.187 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.644 9.081 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.771 10.236 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.112 10.019 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.952 12.334 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.416 11.553 -5.640 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.685 11.336 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.400 12.903 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.009 13.628 -3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.727 12.273 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.321 13.271 -5.145 1.00 0.00 H new ATOM 647 N ILE A 46 -2.318 7.502 -2.961 1.00 0.00 N ATOM 648 CA ILE A 46 -1.692 7.528 -1.654 1.00 0.00 C ATOM 649 C ILE A 46 -0.459 8.420 -1.679 1.00 0.00 C ATOM 650 O ILE A 46 0.295 8.436 -2.654 1.00 0.00 O ATOM 651 CB ILE A 46 -1.309 6.106 -1.151 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.089 5.562 -1.897 1.00 0.00 C ATOM 653 CG2 ILE A 46 -2.483 5.147 -1.296 1.00 0.00 C ATOM 654 CD1 ILE A 46 0.995 5.035 -0.981 1.00 0.00 C ATOM 0 H ILE A 46 -1.685 7.293 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.424 7.934 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.053 6.189 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.409 4.763 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.327 6.353 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.192 4.159 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.326 5.512 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.773 5.082 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.829 4.666 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.343 5.837 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.595 4.222 -0.374 1.00 0.00 H new ATOM 666 N LYS A 47 -0.253 9.141 -0.595 1.00 0.00 N ATOM 667 CA LYS A 47 0.900 10.009 -0.456 1.00 0.00 C ATOM 668 C LYS A 47 1.531 9.777 0.909 1.00 0.00 C ATOM 669 O LYS A 47 0.870 9.945 1.937 1.00 0.00 O ATOM 670 CB LYS A 47 0.498 11.478 -0.608 1.00 0.00 C ATOM 671 CG LYS A 47 0.914 12.094 -1.934 1.00 0.00 C ATOM 672 CD LYS A 47 -0.069 13.162 -2.382 1.00 0.00 C ATOM 673 CE LYS A 47 0.358 14.545 -1.914 1.00 0.00 C ATOM 674 NZ LYS A 47 -0.653 15.586 -2.245 1.00 0.00 N ATOM 0 H LYS A 47 -0.877 9.142 0.212 1.00 0.00 H new ATOM 0 HA LYS A 47 1.619 9.776 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.584 11.562 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.943 12.053 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.908 12.530 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.979 11.315 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.147 13.153 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.060 12.934 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.521 14.528 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.310 14.805 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.321 16.512 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.790 15.621 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.555 15.353 -1.783 1.00 0.00 H new ATOM 688 N LEU A 48 2.754 9.271 0.914 1.00 0.00 N ATOM 689 CA LEU A 48 3.407 8.881 2.156 1.00 0.00 C ATOM 690 C LEU A 48 3.988 10.086 2.886 1.00 0.00 C ATOM 691 O LEU A 48 4.747 10.872 2.315 1.00 0.00 O ATOM 692 CB LEU A 48 4.514 7.863 1.877 1.00 0.00 C ATOM 693 CG LEU A 48 4.064 6.401 1.840 1.00 0.00 C ATOM 694 CD1 LEU A 48 5.270 5.473 1.866 1.00 0.00 C ATOM 695 CD2 LEU A 48 3.132 6.100 3.005 1.00 0.00 C ATOM 0 H LEU A 48 3.314 9.121 0.075 1.00 0.00 H new ATOM 0 HA LEU A 48 2.650 8.428 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.977 8.108 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.284 7.970 2.641 1.00 0.00 H new ATOM 0 HG LEU A 48 3.518 6.231 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.932 4.437 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.901 5.672 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.842 5.645 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.822 5.056 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.652 6.286 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.253 6.742 2.943 1.00 0.00 H new ATOM 707 N ALA A 49 3.675 10.185 4.170 1.00 0.00 N ATOM 708 CA ALA A 49 4.206 11.237 5.017 1.00 0.00 C ATOM 709 C ALA A 49 5.510 10.775 5.664 1.00 0.00 C ATOM 710 O ALA A 49 5.793 9.577 5.705 1.00 0.00 O ATOM 711 CB ALA A 49 3.181 11.620 6.080 1.00 0.00 C ATOM 0 H ALA A 49 3.048 9.540 4.650 1.00 0.00 H new ATOM 0 HA ALA A 49 4.415 12.117 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.589 12.410 6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.271 11.975 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.950 10.749 6.693 1.00 0.00 H new ATOM 717 N PRO A 50 6.360 11.718 6.112 1.00 0.00 N ATOM 718 CA PRO A 50 7.679 11.401 6.684 1.00 0.00 C ATOM 719 C PRO A 50 7.604 10.504 7.922 1.00 0.00 C ATOM 720 O PRO A 50 8.616 9.960 8.366 1.00 0.00 O ATOM 721 CB PRO A 50 8.249 12.774 7.059 1.00 0.00 C ATOM 722 CG PRO A 50 7.519 13.741 6.196 1.00 0.00 C ATOM 723 CD PRO A 50 6.141 13.173 6.022 1.00 0.00 C ATOM 0 HA PRO A 50 8.290 10.842 5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.093 12.991 8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.323 12.818 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.480 14.727 6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.017 13.860 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.460 13.526 6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.707 13.456 5.063 1.00 0.00 H new ATOM 731 N ASP A 51 6.411 10.358 8.483 1.00 0.00 N ATOM 732 CA ASP A 51 6.232 9.533 9.673 1.00 0.00 C ATOM 733 C ASP A 51 5.706 8.145 9.314 1.00 0.00 C ATOM 734 O ASP A 51 5.706 7.242 10.151 1.00 0.00 O ATOM 735 CB ASP A 51 5.298 10.219 10.674 1.00 0.00 C ATOM 736 CG ASP A 51 3.831 10.088 10.318 1.00 0.00 C ATOM 737 OD1 ASP A 51 3.472 10.345 9.151 1.00 0.00 O ATOM 738 OD2 ASP A 51 3.027 9.749 11.213 1.00 0.00 O ATOM 0 H ASP A 51 5.557 10.796 8.137 1.00 0.00 H new ATOM 0 HA ASP A 51 7.209 9.410 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.463 9.793 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.556 11.276 10.734 1.00 0.00 H new ATOM 743 N GLY A 52 5.374 7.949 8.043 1.00 0.00 N ATOM 744 CA GLY A 52 4.985 6.632 7.573 1.00 0.00 C ATOM 745 C GLY A 52 3.516 6.536 7.205 1.00 0.00 C ATOM 746 O GLY A 52 3.111 5.622 6.488 1.00 0.00 O ATOM 0 H GLY A 52 5.367 8.678 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.588 6.371 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.207 5.897 8.347 1.00 0.00 H new ATOM 750 N MET A 53 2.709 7.458 7.711 1.00 0.00 N ATOM 751 CA MET A 53 1.278 7.435 7.442 1.00 0.00 C ATOM 752 C MET A 53 0.971 8.006 6.064 1.00 0.00 C ATOM 753 O MET A 53 1.737 8.807 5.528 1.00 0.00 O ATOM 754 CB MET A 53 0.517 8.215 8.521 1.00 0.00 C ATOM 755 CG MET A 53 0.478 9.720 8.294 1.00 0.00 C ATOM 756 SD MET A 53 -1.202 10.364 8.160 1.00 0.00 S ATOM 757 CE MET A 53 -0.885 12.126 8.220 1.00 0.00 C ATOM 0 H MET A 53 3.018 8.227 8.306 1.00 0.00 H new ATOM 0 HA MET A 53 0.949 6.396 7.461 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.505 7.840 8.571 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.977 8.017 9.489 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.989 10.220 9.116 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.028 9.960 7.384 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.828 12.668 8.148 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.394 12.375 9.161 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.240 12.408 7.388 1.00 0.00 H new ATOM 767 N LEU A 54 -0.185 7.654 5.528 1.00 0.00 N ATOM 768 CA LEU A 54 -0.628 8.204 4.258 1.00 0.00 C ATOM 769 C LEU A 54 -1.411 9.487 4.499 1.00 0.00 C ATOM 770 O LEU A 54 -2.539 9.451 4.996 1.00 0.00 O ATOM 771 CB LEU A 54 -1.493 7.197 3.492 1.00 0.00 C ATOM 772 CG LEU A 54 -1.527 5.780 4.069 1.00 0.00 C ATOM 773 CD1 LEU A 54 -2.933 5.428 4.532 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.033 4.776 3.037 1.00 0.00 C ATOM 0 H LEU A 54 -0.833 6.990 5.952 1.00 0.00 H new ATOM 0 HA LEU A 54 0.252 8.423 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.513 7.578 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.132 7.143 2.465 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.863 5.740 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.939 4.417 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.249 6.132 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.619 5.483 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.063 3.773 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.673 4.816 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.009 5.019 2.754 1.00 0.00 H new ATOM 786 N LEU A 55 -0.798 10.618 4.175 1.00 0.00 N ATOM 787 CA LEU A 55 -1.427 11.918 4.383 1.00 0.00 C ATOM 788 C LEU A 55 -2.540 12.135 3.367 1.00 0.00 C ATOM 789 O LEU A 55 -3.566 12.751 3.670 1.00 0.00 O ATOM 790 CB LEU A 55 -0.386 13.043 4.291 1.00 0.00 C ATOM 791 CG LEU A 55 0.247 13.250 2.910 1.00 0.00 C ATOM 792 CD1 LEU A 55 -0.234 14.556 2.296 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.763 13.239 3.012 1.00 0.00 C ATOM 0 H LEU A 55 0.136 10.663 3.766 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.861 11.936 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.858 13.976 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.409 12.837 5.008 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.061 12.429 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.225 14.688 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.318 14.530 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.047 15.387 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.195 13.387 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.089 14.041 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.094 12.281 3.413 1.00 0.00 H new ATOM 805 N ASP A 56 -2.353 11.571 2.186 1.00 0.00 N ATOM 806 CA ASP A 56 -3.355 11.635 1.138 1.00 0.00 C ATOM 807 C ASP A 56 -3.811 10.234 0.780 1.00 0.00 C ATOM 808 O ASP A 56 -2.992 9.378 0.440 1.00 0.00 O ATOM 809 CB ASP A 56 -2.797 12.323 -0.105 1.00 0.00 C ATOM 810 CG ASP A 56 -3.746 13.354 -0.677 1.00 0.00 C ATOM 811 OD1 ASP A 56 -4.004 14.364 0.002 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.231 13.165 -1.815 1.00 0.00 O ATOM 0 H ASP A 56 -1.509 11.060 1.929 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.201 12.215 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.851 12.804 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.581 11.572 -0.865 1.00 0.00 H new ATOM 817 N ILE A 57 -5.110 10.007 0.854 1.00 0.00 N ATOM 818 CA ILE A 57 -5.681 8.713 0.527 1.00 0.00 C ATOM 819 C ILE A 57 -7.081 8.901 -0.050 1.00 0.00 C ATOM 820 O ILE A 57 -8.003 9.348 0.639 1.00 0.00 O ATOM 821 CB ILE A 57 -5.706 7.766 1.758 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.510 6.500 1.450 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.263 8.471 2.989 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.669 5.368 0.899 1.00 0.00 C ATOM 0 H ILE A 57 -5.794 10.708 1.140 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.048 8.238 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.678 7.478 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.006 6.164 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.293 6.743 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.267 7.781 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.640 9.333 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.281 8.804 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.304 4.504 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.194 5.686 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.902 5.098 1.625 1.00 0.00 H new ATOM 836 N LYS A 58 -7.192 8.702 -1.350 1.00 0.00 N ATOM 837 CA LYS A 58 -8.428 8.996 -2.055 1.00 0.00 C ATOM 838 C LYS A 58 -8.629 8.041 -3.223 1.00 0.00 C ATOM 839 O LYS A 58 -7.738 7.874 -4.055 1.00 0.00 O ATOM 840 CB LYS A 58 -8.409 10.439 -2.563 1.00 0.00 C ATOM 841 CG LYS A 58 -9.740 11.156 -2.415 1.00 0.00 C ATOM 842 CD LYS A 58 -10.439 11.314 -3.756 1.00 0.00 C ATOM 843 CE LYS A 58 -11.170 12.643 -3.856 1.00 0.00 C ATOM 844 NZ LYS A 58 -12.481 12.610 -3.159 1.00 0.00 N ATOM 0 H LYS A 58 -6.443 8.339 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.257 8.867 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.644 10.996 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.120 10.441 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.381 10.598 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.578 12.138 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.706 11.241 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.148 10.498 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.551 13.431 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.323 12.894 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.947 13.535 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.082 11.876 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.334 12.396 -2.152 1.00 0.00 H new ATOM 858 N PRO A 59 -9.804 7.407 -3.302 1.00 0.00 N ATOM 859 CA PRO A 59 -10.136 6.471 -4.376 1.00 0.00 C ATOM 860 C PRO A 59 -10.327 7.186 -5.709 1.00 0.00 C ATOM 861 O PRO A 59 -11.420 7.663 -6.022 1.00 0.00 O ATOM 862 CB PRO A 59 -11.456 5.834 -3.919 1.00 0.00 C ATOM 863 CG PRO A 59 -11.630 6.244 -2.495 1.00 0.00 C ATOM 864 CD PRO A 59 -10.914 7.551 -2.354 1.00 0.00 C ATOM 0 HA PRO A 59 -9.341 5.744 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.290 6.179 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.420 4.749 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.686 6.348 -2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.214 5.496 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.556 8.395 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.560 7.712 -1.336 1.00 0.00 H new ATOM 872 N GLU A 60 -9.255 7.274 -6.482 1.00 0.00 N ATOM 873 CA GLU A 60 -9.287 7.943 -7.774 1.00 0.00 C ATOM 874 C GLU A 60 -10.158 7.166 -8.756 1.00 0.00 C ATOM 875 O GLU A 60 -11.023 7.736 -9.424 1.00 0.00 O ATOM 876 CB GLU A 60 -7.870 8.085 -8.327 1.00 0.00 C ATOM 877 CG GLU A 60 -7.642 9.383 -9.084 1.00 0.00 C ATOM 878 CD GLU A 60 -7.129 10.499 -8.198 1.00 0.00 C ATOM 879 OE1 GLU A 60 -5.929 10.489 -7.853 1.00 0.00 O ATOM 880 OE2 GLU A 60 -7.921 11.399 -7.849 1.00 0.00 O ATOM 0 H GLU A 60 -8.345 6.887 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.716 8.936 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.159 8.025 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.661 7.245 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.928 9.208 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.577 9.696 -9.549 1.00 0.00 H new ATOM 887 N GLY A 61 -9.964 5.855 -8.791 1.00 0.00 N ATOM 888 CA GLY A 61 -10.775 5.000 -9.634 1.00 0.00 C ATOM 889 C GLY A 61 -11.091 3.688 -8.952 1.00 0.00 C ATOM 890 O GLY A 61 -10.669 3.463 -7.815 1.00 0.00 O ATOM 0 H GLY A 61 -9.254 5.366 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.703 5.512 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.251 4.808 -10.570 1.00 0.00 H new ATOM 894 N GLY A 62 -11.815 2.818 -9.641 1.00 0.00 N ATOM 895 CA GLY A 62 -12.153 1.525 -9.082 1.00 0.00 C ATOM 896 C GLY A 62 -13.577 1.464 -8.575 1.00 0.00 C ATOM 897 O GLY A 62 -14.325 2.440 -8.679 1.00 0.00 O ATOM 0 H GLY A 62 -12.176 2.985 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.008 0.756 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.470 1.297 -8.264 1.00 0.00 H new ATOM 901 N ASP A 63 -13.944 0.319 -8.014 1.00 0.00 N ATOM 902 CA ASP A 63 -15.278 0.111 -7.462 1.00 0.00 C ATOM 903 C ASP A 63 -15.475 0.956 -6.213 1.00 0.00 C ATOM 904 O ASP A 63 -14.710 0.839 -5.257 1.00 0.00 O ATOM 905 CB ASP A 63 -15.484 -1.366 -7.119 1.00 0.00 C ATOM 906 CG ASP A 63 -16.940 -1.713 -6.889 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.535 -1.211 -5.914 1.00 0.00 O ATOM 908 OD2 ASP A 63 -17.498 -2.503 -7.680 1.00 0.00 O ATOM 0 H ASP A 63 -13.328 -0.490 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.010 0.411 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.091 -1.981 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.910 -1.611 -6.225 1.00 0.00 H new ATOM 913 N PRO A 64 -16.491 1.832 -6.207 1.00 0.00 N ATOM 914 CA PRO A 64 -16.770 2.716 -5.072 1.00 0.00 C ATOM 915 C PRO A 64 -16.988 1.951 -3.767 1.00 0.00 C ATOM 916 O PRO A 64 -16.468 2.340 -2.724 1.00 0.00 O ATOM 917 CB PRO A 64 -18.054 3.454 -5.485 1.00 0.00 C ATOM 918 CG PRO A 64 -18.613 2.671 -6.624 1.00 0.00 C ATOM 919 CD PRO A 64 -17.437 2.045 -7.313 1.00 0.00 C ATOM 0 HA PRO A 64 -15.930 3.381 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.762 3.504 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.839 4.480 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.308 1.910 -6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.167 3.316 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.705 1.109 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.022 2.698 -8.081 1.00 0.00 H new ATOM 927 N ALA A 65 -17.746 0.861 -3.829 1.00 0.00 N ATOM 928 CA ALA A 65 -18.021 0.050 -2.648 1.00 0.00 C ATOM 929 C ALA A 65 -16.749 -0.599 -2.118 1.00 0.00 C ATOM 930 O ALA A 65 -16.531 -0.666 -0.907 1.00 0.00 O ATOM 931 CB ALA A 65 -19.064 -1.008 -2.962 1.00 0.00 C ATOM 0 H ALA A 65 -18.181 0.519 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.412 0.708 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.257 -1.604 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.987 -0.525 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.697 -1.655 -3.759 1.00 0.00 H new ATOM 937 N LEU A 66 -15.898 -1.043 -3.032 1.00 0.00 N ATOM 938 CA LEU A 66 -14.630 -1.652 -2.656 1.00 0.00 C ATOM 939 C LEU A 66 -13.669 -0.599 -2.117 1.00 0.00 C ATOM 940 O LEU A 66 -13.000 -0.812 -1.109 1.00 0.00 O ATOM 941 CB LEU A 66 -13.999 -2.371 -3.854 1.00 0.00 C ATOM 942 CG LEU A 66 -12.745 -3.194 -3.535 1.00 0.00 C ATOM 943 CD1 LEU A 66 -13.062 -4.293 -2.532 1.00 0.00 C ATOM 944 CD2 LEU A 66 -12.157 -3.784 -4.805 1.00 0.00 C ATOM 0 H LEU A 66 -16.062 -0.993 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.826 -2.384 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.745 -3.032 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.744 -1.628 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.005 -2.529 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.158 -4.864 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.434 -3.847 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.821 -4.956 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.268 -4.365 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.894 -4.432 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.887 -2.979 -5.489 1.00 0.00 H new ATOM 956 N CYS A 67 -13.578 0.519 -2.821 1.00 0.00 N ATOM 957 CA CYS A 67 -12.663 1.589 -2.453 1.00 0.00 C ATOM 958 C CYS A 67 -13.050 2.230 -1.124 1.00 0.00 C ATOM 959 O CYS A 67 -12.182 2.551 -0.312 1.00 0.00 O ATOM 960 CB CYS A 67 -12.624 2.644 -3.555 1.00 0.00 C ATOM 961 SG CYS A 67 -11.758 2.102 -5.064 1.00 0.00 S ATOM 0 H CYS A 67 -14.131 0.710 -3.657 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.671 1.153 -2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.645 2.923 -3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.137 3.540 -3.170 1.00 0.00 H new ATOM 966 N GLN A 68 -14.350 2.402 -0.887 1.00 0.00 N ATOM 967 CA GLN A 68 -14.821 2.990 0.367 1.00 0.00 C ATOM 968 C GLN A 68 -14.471 2.086 1.544 1.00 0.00 C ATOM 969 O GLN A 68 -14.066 2.561 2.606 1.00 0.00 O ATOM 970 CB GLN A 68 -16.336 3.234 0.331 1.00 0.00 C ATOM 971 CG GLN A 68 -16.754 4.468 -0.463 1.00 0.00 C ATOM 972 CD GLN A 68 -15.763 5.610 -0.364 1.00 0.00 C ATOM 973 OE1 GLN A 68 -14.853 5.734 -1.185 1.00 0.00 O ATOM 974 NE2 GLN A 68 -15.939 6.463 0.632 1.00 0.00 N ATOM 0 H GLN A 68 -15.090 2.145 -1.540 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.321 3.950 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.823 2.358 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.701 3.333 1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.877 4.193 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.726 4.808 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.705 6.326 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.309 7.258 0.740 1.00 0.00 H new ATOM 983 N ALA A 69 -14.560 0.781 1.322 1.00 0.00 N ATOM 984 CA ALA A 69 -14.181 -0.194 2.336 1.00 0.00 C ATOM 985 C ALA A 69 -12.666 -0.210 2.518 1.00 0.00 C ATOM 986 O ALA A 69 -12.162 -0.335 3.636 1.00 0.00 O ATOM 987 CB ALA A 69 -14.687 -1.578 1.958 1.00 0.00 C ATOM 0 H ALA A 69 -14.892 0.373 0.448 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.640 0.094 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.395 -2.294 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.774 -1.558 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.255 -1.875 1.002 1.00 0.00 H new ATOM 993 N ALA A 70 -11.947 -0.049 1.411 1.00 0.00 N ATOM 994 CA ALA A 70 -10.490 -0.016 1.432 1.00 0.00 C ATOM 995 C ALA A 70 -9.982 1.184 2.223 1.00 0.00 C ATOM 996 O ALA A 70 -8.916 1.125 2.825 1.00 0.00 O ATOM 997 CB ALA A 70 -9.936 0.011 0.015 1.00 0.00 C ATOM 0 H ALA A 70 -12.354 0.061 0.482 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.140 -0.922 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.847 0.035 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.262 -0.881 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.302 0.898 -0.502 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.777 2.251 2.259 1.00 0.00 N ATOM 1004 CA LEU A 71 -10.426 3.438 3.030 1.00 0.00 C ATOM 1005 C LEU A 71 -10.302 3.092 4.510 1.00 0.00 C ATOM 1006 O LEU A 71 -9.336 3.473 5.172 1.00 0.00 O ATOM 1007 CB LEU A 71 -11.475 4.540 2.841 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.491 5.210 1.465 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.419 6.415 1.474 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.085 5.617 1.051 1.00 0.00 C ATOM 0 H LEU A 71 -11.666 2.317 1.764 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.466 3.805 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.461 4.114 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.309 5.308 3.597 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.865 4.492 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.420 6.881 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.430 6.094 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.073 7.135 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.117 6.091 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.680 6.318 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.449 4.733 1.005 1.00 0.00 H new ATOM 1022 N ALA A 72 -11.271 2.332 5.011 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.262 1.891 6.398 1.00 0.00 C ATOM 1024 C ALA A 72 -10.116 0.916 6.644 1.00 0.00 C ATOM 1025 O ALA A 72 -9.444 0.979 7.674 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.595 1.249 6.756 1.00 0.00 C ATOM 0 H ALA A 72 -12.075 2.009 4.473 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.113 2.761 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.574 0.924 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.397 1.974 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.770 0.388 6.110 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.889 0.030 5.681 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.813 -0.948 5.778 1.00 0.00 C ATOM 1034 C ALA A 73 -7.446 -0.270 5.793 1.00 0.00 C ATOM 1035 O ALA A 73 -6.583 -0.618 6.596 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.894 -1.944 4.634 1.00 0.00 C ATOM 0 H ALA A 73 -10.437 -0.031 4.823 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.934 -1.483 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.083 -2.667 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.850 -2.465 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.807 -1.416 3.685 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.262 0.710 4.914 1.00 0.00 N ATOM 1043 CA ALA A 74 -6.008 1.451 4.833 1.00 0.00 C ATOM 1044 C ALA A 74 -5.778 2.266 6.102 1.00 0.00 C ATOM 1045 O ALA A 74 -4.641 2.468 6.528 1.00 0.00 O ATOM 1046 CB ALA A 74 -6.010 2.360 3.612 1.00 0.00 C ATOM 0 H ALA A 74 -7.970 1.011 4.244 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.192 0.735 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.068 2.907 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.127 1.758 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.837 3.067 3.686 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.870 2.686 6.729 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.798 3.425 7.982 1.00 0.00 C ATOM 1054 C LYS A 75 -6.451 2.485 9.133 1.00 0.00 C ATOM 1055 O LYS A 75 -5.856 2.896 10.126 1.00 0.00 O ATOM 1056 CB LYS A 75 -8.124 4.133 8.266 1.00 0.00 C ATOM 1057 CG LYS A 75 -8.203 5.533 7.679 1.00 0.00 C ATOM 1058 CD LYS A 75 -9.597 6.120 7.829 1.00 0.00 C ATOM 1059 CE LYS A 75 -9.546 7.585 8.234 1.00 0.00 C ATOM 1060 NZ LYS A 75 -9.813 7.772 9.683 1.00 0.00 N ATOM 0 H LYS A 75 -7.818 2.527 6.389 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.014 4.177 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.940 3.533 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.272 4.191 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.479 6.179 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.931 5.503 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.138 6.021 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.152 5.554 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.566 7.994 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.279 8.147 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.769 8.785 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.759 7.405 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.099 7.258 10.237 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.792 1.213 8.972 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.479 0.201 9.972 1.00 0.00 C ATOM 1076 C LEU A 76 -5.065 -0.332 9.761 1.00 0.00 C ATOM 1077 O LEU A 76 -4.488 -0.985 10.636 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.485 -0.945 9.897 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.379 -1.102 11.126 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.830 -1.266 10.708 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -7.925 -2.284 11.968 1.00 0.00 C ATOM 0 H LEU A 76 -7.287 0.857 8.155 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.539 0.659 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.118 -0.796 9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.941 -1.876 9.741 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.296 -0.200 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.454 -1.377 11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.149 -0.387 10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.930 -2.152 10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.573 -2.381 12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.978 -3.196 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.898 -2.124 12.296 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.501 -0.018 8.602 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.145 -0.418 8.269 1.00 0.00 C ATOM 1095 C ALA A 77 -2.152 0.606 8.801 1.00 0.00 C ATOM 1096 O ALA A 77 -2.464 1.793 8.898 1.00 0.00 O ATOM 1097 CB ALA A 77 -2.990 -0.580 6.763 1.00 0.00 C ATOM 0 H ALA A 77 -4.970 0.518 7.872 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.940 -1.380 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.968 -0.880 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.681 -1.343 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.210 0.367 6.271 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.964 0.149 9.149 1.00 0.00 N ATOM 1104 CA LYS A 78 0.067 1.026 9.674 1.00 0.00 C ATOM 1105 C LYS A 78 1.341 0.877 8.862 1.00 0.00 C ATOM 1106 O LYS A 78 2.192 0.037 9.168 1.00 0.00 O ATOM 1107 CB LYS A 78 0.342 0.711 11.150 1.00 0.00 C ATOM 1108 CG LYS A 78 -0.815 1.051 12.077 1.00 0.00 C ATOM 1109 CD LYS A 78 -1.121 2.539 12.074 1.00 0.00 C ATOM 1110 CE LYS A 78 -2.356 2.852 12.902 1.00 0.00 C ATOM 1111 NZ LYS A 78 -2.128 3.988 13.831 1.00 0.00 N ATOM 0 H LYS A 78 -0.687 -0.830 9.077 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.283 2.056 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.574 -0.349 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.226 1.262 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.702 0.497 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.575 0.731 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.267 3.089 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.272 2.879 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.188 3.088 12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.644 1.969 13.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.994 4.169 14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.351 3.754 14.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.878 4.838 13.286 1.00 0.00 H new ATOM 1125 N ILE A 79 1.476 1.704 7.839 1.00 0.00 N ATOM 1126 CA ILE A 79 2.661 1.688 6.995 1.00 0.00 C ATOM 1127 C ILE A 79 3.874 2.135 7.805 1.00 0.00 C ATOM 1128 O ILE A 79 3.814 3.144 8.508 1.00 0.00 O ATOM 1129 CB ILE A 79 2.492 2.606 5.763 1.00 0.00 C ATOM 1130 CG1 ILE A 79 1.158 2.320 5.061 1.00 0.00 C ATOM 1131 CG2 ILE A 79 3.657 2.438 4.793 1.00 0.00 C ATOM 1132 CD1 ILE A 79 1.041 0.911 4.511 1.00 0.00 C ATOM 0 H ILE A 79 0.778 2.398 7.571 1.00 0.00 H new ATOM 0 HA ILE A 79 2.807 0.668 6.638 1.00 0.00 H new ATOM 0 HB ILE A 79 2.488 3.640 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.344 2.493 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.029 3.030 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.514 3.095 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.589 2.696 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.702 1.403 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.071 0.788 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.832 0.738 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.136 0.193 5.326 1.00 0.00 H new ATOM 1144 N PRO A 80 4.954 1.339 7.792 1.00 0.00 N ATOM 1145 CA PRO A 80 6.145 1.612 8.601 1.00 0.00 C ATOM 1146 C PRO A 80 6.881 2.861 8.140 1.00 0.00 C ATOM 1147 O PRO A 80 6.837 3.217 6.960 1.00 0.00 O ATOM 1148 CB PRO A 80 7.022 0.374 8.390 1.00 0.00 C ATOM 1149 CG PRO A 80 6.539 -0.227 7.117 1.00 0.00 C ATOM 1150 CD PRO A 80 5.068 0.069 7.059 1.00 0.00 C ATOM 0 HA PRO A 80 5.889 1.794 9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.076 0.643 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.923 -0.326 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.059 0.202 6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.723 -1.301 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.716 0.164 6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.479 -0.720 7.526 1.00 0.00 H new ATOM 1158 N LYS A 81 7.598 3.488 9.066 1.00 0.00 N ATOM 1159 CA LYS A 81 8.397 4.660 8.747 1.00 0.00 C ATOM 1160 C LYS A 81 9.491 4.288 7.754 1.00 0.00 C ATOM 1161 O LYS A 81 10.247 3.341 7.988 1.00 0.00 O ATOM 1162 CB LYS A 81 9.013 5.244 10.018 1.00 0.00 C ATOM 1163 CG LYS A 81 9.281 6.739 9.942 1.00 0.00 C ATOM 1164 CD LYS A 81 10.771 7.041 9.971 1.00 0.00 C ATOM 1165 CE LYS A 81 11.430 6.482 11.224 1.00 0.00 C ATOM 1166 NZ LYS A 81 12.690 5.757 10.915 1.00 0.00 N ATOM 0 H LYS A 81 7.641 3.202 10.044 1.00 0.00 H new ATOM 0 HA LYS A 81 7.752 5.414 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.346 5.047 10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.950 4.727 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.845 7.142 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.791 7.240 10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.247 6.615 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.926 8.119 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.641 7.297 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.738 5.807 11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.106 5.393 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.486 4.963 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.361 6.407 10.458 1.00 0.00 H new ATOM 1180 N PRO A 82 9.506 4.962 6.590 1.00 0.00 N ATOM 1181 CA PRO A 82 10.411 4.653 5.480 1.00 0.00 C ATOM 1182 C PRO A 82 11.838 4.326 5.918 1.00 0.00 C ATOM 1183 O PRO A 82 12.544 5.167 6.485 1.00 0.00 O ATOM 1184 CB PRO A 82 10.378 5.939 4.662 1.00 0.00 C ATOM 1185 CG PRO A 82 8.991 6.449 4.838 1.00 0.00 C ATOM 1186 CD PRO A 82 8.545 6.022 6.215 1.00 0.00 C ATOM 0 HA PRO A 82 10.098 3.759 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.115 6.658 5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.602 5.749 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.962 7.534 4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.329 6.043 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.573 6.853 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.521 5.647 6.205 1.00 0.00 H new ATOM 1194 N PRO A 83 12.292 3.100 5.619 1.00 0.00 N ATOM 1195 CA PRO A 83 13.640 2.655 5.930 1.00 0.00 C ATOM 1196 C PRO A 83 14.647 3.183 4.916 1.00 0.00 C ATOM 1197 O PRO A 83 15.351 4.161 5.174 1.00 0.00 O ATOM 1198 CB PRO A 83 13.555 1.125 5.858 1.00 0.00 C ATOM 1199 CG PRO A 83 12.183 0.787 5.357 1.00 0.00 C ATOM 1200 CD PRO A 83 11.530 2.066 4.912 1.00 0.00 C ATOM 0 HA PRO A 83 13.978 3.016 6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.319 0.727 5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.728 0.682 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.242 0.080 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.596 0.311 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.589 2.192 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.474 2.092 5.179 1.00 0.00 H new ATOM 1208 N SER A 84 14.649 2.583 3.737 1.00 0.00 N ATOM 1209 CA SER A 84 15.490 3.033 2.646 1.00 0.00 C ATOM 1210 C SER A 84 14.916 4.315 2.041 1.00 0.00 C ATOM 1211 O SER A 84 13.738 4.366 1.685 1.00 0.00 O ATOM 1212 CB SER A 84 15.576 1.924 1.596 1.00 0.00 C ATOM 1213 OG SER A 84 14.853 0.779 2.027 1.00 0.00 O ATOM 0 H SER A 84 14.070 1.774 3.512 1.00 0.00 H new ATOM 0 HA SER A 84 16.493 3.253 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.174 2.280 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.619 1.659 1.421 1.00 0.00 H new ATOM 0 HG SER A 84 13.905 0.887 1.804 1.00 0.00 H new ATOM 1219 N GLN A 85 15.726 5.366 1.979 1.00 0.00 N ATOM 1220 CA GLN A 85 15.260 6.655 1.477 1.00 0.00 C ATOM 1221 C GLN A 85 14.864 6.559 0.005 1.00 0.00 C ATOM 1222 O GLN A 85 13.977 7.281 -0.454 1.00 0.00 O ATOM 1223 CB GLN A 85 16.324 7.738 1.672 1.00 0.00 C ATOM 1224 CG GLN A 85 17.680 7.386 1.087 1.00 0.00 C ATOM 1225 CD GLN A 85 18.792 8.232 1.669 1.00 0.00 C ATOM 1226 OE1 GLN A 85 18.660 9.452 1.797 1.00 0.00 O ATOM 1227 NE2 GLN A 85 19.892 7.596 2.027 1.00 0.00 N ATOM 0 H GLN A 85 16.704 5.352 2.268 1.00 0.00 H new ATOM 0 HA GLN A 85 14.377 6.934 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.973 8.664 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.439 7.931 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.892 6.333 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.653 7.519 0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.960 6.586 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.674 8.115 2.427 1.00 0.00 H new ATOM 1236 N ALA A 86 15.475 5.617 -0.709 1.00 0.00 N ATOM 1237 CA ALA A 86 15.141 5.368 -2.107 1.00 0.00 C ATOM 1238 C ALA A 86 13.702 4.879 -2.246 1.00 0.00 C ATOM 1239 O ALA A 86 13.062 5.071 -3.275 1.00 0.00 O ATOM 1240 CB ALA A 86 16.105 4.357 -2.708 1.00 0.00 C ATOM 0 H ALA A 86 16.208 5.011 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 86 15.233 6.308 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.844 4.181 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 86 17.122 4.744 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 86 16.041 3.420 -2.155 1.00 0.00 H new ATOM 1246 N VAL A 87 13.190 4.265 -1.189 1.00 0.00 N ATOM 1247 CA VAL A 87 11.822 3.776 -1.184 1.00 0.00 C ATOM 1248 C VAL A 87 10.836 4.924 -0.966 1.00 0.00 C ATOM 1249 O VAL A 87 9.709 4.892 -1.464 1.00 0.00 O ATOM 1250 CB VAL A 87 11.631 2.663 -0.118 1.00 0.00 C ATOM 1251 CG1 VAL A 87 10.807 3.138 1.076 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.999 1.434 -0.750 1.00 0.00 C ATOM 0 H VAL A 87 13.703 4.094 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 87 11.616 3.337 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 87 12.619 2.403 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.702 2.324 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.310 3.979 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.820 3.451 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.870 0.661 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.027 1.698 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.645 1.060 -1.544 1.00 0.00 H new ATOM 1262 N TYR A 88 11.266 5.945 -0.230 1.00 0.00 N ATOM 1263 CA TYR A 88 10.414 7.092 0.041 1.00 0.00 C ATOM 1264 C TYR A 88 10.362 8.036 -1.153 1.00 0.00 C ATOM 1265 O TYR A 88 9.316 8.607 -1.451 1.00 0.00 O ATOM 1266 CB TYR A 88 10.883 7.846 1.286 1.00 0.00 C ATOM 1267 CG TYR A 88 9.924 8.939 1.710 1.00 0.00 C ATOM 1268 CD1 TYR A 88 8.590 8.652 1.970 1.00 0.00 C ATOM 1269 CD2 TYR A 88 10.347 10.257 1.831 1.00 0.00 C ATOM 1270 CE1 TYR A 88 7.705 9.644 2.338 1.00 0.00 C ATOM 1271 CE2 TYR A 88 9.465 11.257 2.198 1.00 0.00 C ATOM 1272 CZ TYR A 88 8.146 10.944 2.451 1.00 0.00 C ATOM 1273 OH TYR A 88 7.260 11.933 2.809 1.00 0.00 O ATOM 0 H TYR A 88 12.196 5.999 0.186 1.00 0.00 H new ATOM 0 HA TYR A 88 9.409 6.712 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.007 7.140 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 88 11.862 8.284 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.240 7.634 1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.380 10.504 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.671 9.403 2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.807 12.278 2.286 1.00 0.00 H new ATOM 0 HH TYR A 88 6.343 11.619 2.665 1.00 0.00 H new ATOM 1283 N GLU A 89 11.488 8.210 -1.834 1.00 0.00 N ATOM 1284 CA GLU A 89 11.539 9.107 -2.985 1.00 0.00 C ATOM 1285 C GLU A 89 10.708 8.555 -4.143 1.00 0.00 C ATOM 1286 O GLU A 89 10.286 9.298 -5.027 1.00 0.00 O ATOM 1287 CB GLU A 89 12.986 9.353 -3.427 1.00 0.00 C ATOM 1288 CG GLU A 89 13.705 8.113 -3.928 1.00 0.00 C ATOM 1289 CD GLU A 89 15.177 8.358 -4.189 1.00 0.00 C ATOM 1290 OE1 GLU A 89 15.673 9.456 -3.851 1.00 0.00 O ATOM 1291 OE2 GLU A 89 15.849 7.459 -4.739 1.00 0.00 O ATOM 0 H GLU A 89 12.370 7.748 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 89 11.111 10.063 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.990 10.105 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.544 9.769 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.598 7.314 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.230 7.768 -4.846 1.00 0.00 H new ATOM 1298 N VAL A 90 10.417 7.265 -4.098 1.00 0.00 N ATOM 1299 CA VAL A 90 9.572 6.641 -5.104 1.00 0.00 C ATOM 1300 C VAL A 90 8.108 6.652 -4.662 1.00 0.00 C ATOM 1301 O VAL A 90 7.221 7.018 -5.433 1.00 0.00 O ATOM 1302 CB VAL A 90 10.015 5.189 -5.394 1.00 0.00 C ATOM 1303 CG1 VAL A 90 9.002 4.468 -6.275 1.00 0.00 C ATOM 1304 CG2 VAL A 90 11.392 5.172 -6.045 1.00 0.00 C ATOM 0 H VAL A 90 10.754 6.629 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 90 9.676 7.222 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 90 10.070 4.660 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.342 3.449 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.036 4.442 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.903 4.996 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.688 4.142 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 90 11.358 5.726 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.117 5.636 -5.376 1.00 0.00 H new ATOM 1314 N PHE A 91 7.853 6.210 -3.435 1.00 0.00 N ATOM 1315 CA PHE A 91 6.489 6.118 -2.924 1.00 0.00 C ATOM 1316 C PHE A 91 6.032 7.421 -2.275 1.00 0.00 C ATOM 1317 O PHE A 91 5.133 7.425 -1.434 1.00 0.00 O ATOM 1318 CB PHE A 91 6.382 4.972 -1.918 1.00 0.00 C ATOM 1319 CG PHE A 91 6.133 3.636 -2.557 1.00 0.00 C ATOM 1320 CD1 PHE A 91 4.879 3.310 -3.043 1.00 0.00 C ATOM 1321 CD2 PHE A 91 7.154 2.706 -2.670 1.00 0.00 C ATOM 1322 CE1 PHE A 91 4.646 2.082 -3.630 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.926 1.477 -3.255 1.00 0.00 C ATOM 1324 CZ PHE A 91 5.670 1.165 -3.736 1.00 0.00 C ATOM 0 H PHE A 91 8.572 5.910 -2.776 1.00 0.00 H new ATOM 0 HA PHE A 91 5.834 5.924 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.303 4.922 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.575 5.187 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.073 4.024 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.139 2.945 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.663 1.840 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.729 0.760 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.490 0.204 -4.195 1.00 0.00 H new ATOM 1334 N LYS A 92 6.612 8.532 -2.702 1.00 0.00 N ATOM 1335 CA LYS A 92 6.215 9.834 -2.190 1.00 0.00 C ATOM 1336 C LYS A 92 4.855 10.230 -2.752 1.00 0.00 C ATOM 1337 O LYS A 92 4.075 10.920 -2.099 1.00 0.00 O ATOM 1338 CB LYS A 92 7.258 10.891 -2.548 1.00 0.00 C ATOM 1339 CG LYS A 92 7.839 11.598 -1.338 1.00 0.00 C ATOM 1340 CD LYS A 92 8.724 12.761 -1.748 1.00 0.00 C ATOM 1341 CE LYS A 92 10.182 12.508 -1.398 1.00 0.00 C ATOM 1342 NZ LYS A 92 10.996 13.747 -1.488 1.00 0.00 N ATOM 0 H LYS A 92 7.356 8.558 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 92 6.143 9.770 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.066 10.419 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.804 11.630 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.030 11.960 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.418 10.890 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.631 12.929 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.383 13.670 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.248 12.103 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.592 11.755 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.983 13.532 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.954 14.120 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.621 14.457 -0.827 1.00 0.00 H new ATOM 1356 N ASN A 93 4.583 9.772 -3.966 1.00 0.00 N ATOM 1357 CA ASN A 93 3.321 10.056 -4.634 1.00 0.00 C ATOM 1358 C ASN A 93 2.978 8.933 -5.605 1.00 0.00 C ATOM 1359 O ASN A 93 2.429 9.164 -6.681 1.00 0.00 O ATOM 1360 CB ASN A 93 3.383 11.401 -5.376 1.00 0.00 C ATOM 1361 CG ASN A 93 4.459 11.442 -6.447 1.00 0.00 C ATOM 1362 OD1 ASN A 93 5.652 11.431 -6.143 1.00 0.00 O ATOM 1363 ND2 ASN A 93 4.047 11.492 -7.706 1.00 0.00 N ATOM 0 H ASN A 93 5.225 9.198 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 93 2.540 10.122 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.415 11.601 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.565 12.198 -4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.728 11.523 -8.465 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.049 11.499 -7.916 1.00 0.00 H new ATOM 1370 N ALA A 94 3.268 7.709 -5.194 1.00 0.00 N ATOM 1371 CA ALA A 94 2.954 6.539 -5.998 1.00 0.00 C ATOM 1372 C ALA A 94 1.719 5.837 -5.452 1.00 0.00 C ATOM 1373 O ALA A 94 1.770 5.224 -4.386 1.00 0.00 O ATOM 1374 CB ALA A 94 4.140 5.588 -6.035 1.00 0.00 C ATOM 0 H ALA A 94 3.722 7.500 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 94 2.742 6.863 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.889 4.717 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.001 6.097 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.381 5.268 -5.021 1.00 0.00 H new ATOM 1380 N PRO A 95 0.567 6.010 -6.118 1.00 0.00 N ATOM 1381 CA PRO A 95 -0.716 5.486 -5.639 1.00 0.00 C ATOM 1382 C PRO A 95 -0.803 3.971 -5.779 1.00 0.00 C ATOM 1383 O PRO A 95 -0.041 3.359 -6.530 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.748 6.175 -6.543 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.013 7.318 -7.153 1.00 0.00 C ATOM 1386 CD PRO A 95 0.394 6.829 -7.323 1.00 0.00 C ATOM 0 HA PRO A 95 -0.869 5.684 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.124 5.493 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.609 6.519 -5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.450 7.603 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.050 8.198 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.518 6.247 -8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.111 7.649 -7.368 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.638 3.363 -4.951 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.706 1.914 -4.865 1.00 0.00 C ATOM 1396 C LEU A 96 -2.869 1.341 -5.667 1.00 0.00 C ATOM 1397 O LEU A 96 -4.027 1.726 -5.474 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.828 1.502 -3.396 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.879 0.394 -2.932 1.00 0.00 C ATOM 1400 CD1 LEU A 96 -1.567 -0.956 -3.014 1.00 0.00 C ATOM 1401 CD2 LEU A 96 0.407 0.390 -3.752 1.00 0.00 C ATOM 0 H LEU A 96 -2.280 3.853 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.790 1.509 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.658 2.383 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.852 1.177 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.612 0.590 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.881 -1.735 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.450 -0.954 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.865 -1.151 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.061 -0.408 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.168 0.225 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.912 1.349 -3.641 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.568 0.314 -6.450 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.592 -0.447 -7.147 1.00 0.00 C ATOM 1415 C ASP A 97 -4.007 -1.627 -6.281 1.00 0.00 C ATOM 1416 O ASP A 97 -3.165 -2.410 -5.830 1.00 0.00 O ATOM 1417 CB ASP A 97 -3.088 -0.931 -8.515 1.00 0.00 C ATOM 1418 CG ASP A 97 -1.995 -1.981 -8.411 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -0.894 -1.651 -7.924 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -2.228 -3.138 -8.820 1.00 0.00 O ATOM 0 H ASP A 97 -1.616 -0.012 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.453 0.196 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.925 -1.342 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.711 -0.078 -9.079 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.277 -1.675 -5.928 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.747 -2.667 -4.983 1.00 0.00 C ATOM 1427 C PHE A 98 -6.760 -3.612 -5.615 1.00 0.00 C ATOM 1428 O PHE A 98 -7.655 -3.194 -6.351 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.360 -1.984 -3.758 1.00 0.00 C ATOM 1430 CG PHE A 98 -6.760 -2.946 -2.679 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -5.816 -3.761 -2.075 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.081 -3.041 -2.276 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -6.184 -4.656 -1.090 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -8.455 -3.935 -1.293 1.00 0.00 C ATOM 1435 CZ PHE A 98 -7.505 -4.743 -0.698 1.00 0.00 C ATOM 0 H PHE A 98 -5.997 -1.043 -6.279 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.886 -3.260 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.643 -1.271 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.235 -1.414 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.781 -3.695 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.827 -2.409 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.440 -5.287 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.489 -4.003 -0.989 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.795 -5.442 0.073 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.668 -4.870 -5.220 1.00 0.00 N ATOM 1446 CA LYS A 99 -7.622 -5.885 -5.619 1.00 0.00 C ATOM 1447 C LYS A 99 -7.805 -6.857 -4.464 1.00 0.00 C ATOM 1448 O LYS A 99 -6.848 -7.128 -3.732 1.00 0.00 O ATOM 1449 CB LYS A 99 -7.134 -6.625 -6.869 1.00 0.00 C ATOM 1450 CG LYS A 99 -8.095 -6.541 -8.041 1.00 0.00 C ATOM 1451 CD LYS A 99 -8.190 -7.865 -8.780 1.00 0.00 C ATOM 1452 CE LYS A 99 -9.144 -7.771 -9.960 1.00 0.00 C ATOM 1453 NZ LYS A 99 -8.420 -7.617 -11.250 1.00 0.00 N ATOM 0 H LYS A 99 -5.926 -5.215 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.575 -5.416 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.170 -6.215 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.970 -7.673 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.083 -6.252 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.765 -5.762 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.201 -8.160 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.530 -8.642 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.764 -8.666 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.815 -6.924 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.107 -7.557 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.847 -6.749 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.799 -8.437 -11.399 1.00 0.00 H new ATOM 1467 N PRO A 100 -9.034 -7.362 -4.259 1.00 0.00 N ATOM 1468 CA PRO A 100 -9.338 -8.281 -3.159 1.00 0.00 C ATOM 1469 C PRO A 100 -8.402 -9.483 -3.153 1.00 0.00 C ATOM 1470 O PRO A 100 -8.424 -10.301 -4.076 1.00 0.00 O ATOM 1471 CB PRO A 100 -10.773 -8.719 -3.448 1.00 0.00 C ATOM 1472 CG PRO A 100 -11.357 -7.602 -4.238 1.00 0.00 C ATOM 1473 CD PRO A 100 -10.230 -7.053 -5.064 1.00 0.00 C ATOM 0 HA PRO A 100 -9.216 -7.813 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.797 -9.654 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.330 -8.885 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.171 -7.955 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.772 -6.835 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.186 -7.523 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.338 -5.981 -5.228 1.00 0.00 H new