USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 15 SER OG : rot 164:sc= 0.00368 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0124 (180deg=-0.432) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.58) USER MOD Single : A 24 SER OG : rot 131:sc= -0.11 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 31 THR OG1 : rot 170:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.208 (180deg=-0.786) USER MOD Single : A 40 THR OG1 : rot 90:sc= 0.264 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -140:sc= -0.336 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc=-0.00118 USER MOD Single : A 62 SER OG : rot 28:sc= 1.28 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.94 K(o=-1.9,f=-1.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -166:sc= -3.35! USER MOD Single : A 74 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.24) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.377 15.987 4.086 1.00 0.00 N ATOM 163 CA SER A 15 -0.820 14.924 4.914 1.00 0.00 C ATOM 164 C SER A 15 0.000 13.952 4.071 1.00 0.00 C ATOM 165 O SER A 15 -0.414 13.554 2.982 1.00 0.00 O ATOM 166 CB SER A 15 -1.938 14.172 5.637 1.00 0.00 C ATOM 167 OG SER A 15 -1.460 13.566 6.825 1.00 0.00 O ATOM 0 HA SER A 15 -0.162 15.381 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.748 14.861 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.353 13.410 4.978 1.00 0.00 H new ATOM 0 HG SER A 15 -2.218 13.319 7.394 1.00 0.00 H new ATOM 173 N LYS A 16 1.166 13.573 4.582 1.00 0.00 N ATOM 174 CA LYS A 16 2.045 12.646 3.880 1.00 0.00 C ATOM 175 C LYS A 16 1.989 11.258 4.510 1.00 0.00 C ATOM 176 O LYS A 16 2.800 10.387 4.193 1.00 0.00 O ATOM 177 CB LYS A 16 3.485 13.167 3.894 1.00 0.00 C ATOM 178 CG LYS A 16 3.811 14.018 5.108 1.00 0.00 C ATOM 179 CD LYS A 16 3.769 13.202 6.389 1.00 0.00 C ATOM 180 CE LYS A 16 3.795 14.095 7.620 1.00 0.00 C ATOM 181 NZ LYS A 16 4.556 15.352 7.377 1.00 0.00 N ATOM 0 H LYS A 16 1.525 13.894 5.481 1.00 0.00 H new ATOM 0 HA LYS A 16 1.702 12.570 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.170 12.319 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.659 13.754 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.801 14.459 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.101 14.842 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.868 12.589 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.619 12.520 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.774 14.339 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.245 13.553 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.740 15.827 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.460 15.127 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.000 15.981 6.763 1.00 0.00 H new ATOM 195 N THR A 17 1.025 11.058 5.404 1.00 0.00 N ATOM 196 CA THR A 17 0.863 9.776 6.078 1.00 0.00 C ATOM 197 C THR A 17 -0.490 9.152 5.756 1.00 0.00 C ATOM 198 O THR A 17 -1.528 9.622 6.223 1.00 0.00 O ATOM 199 CB THR A 17 0.997 9.924 7.605 1.00 0.00 C ATOM 200 OG1 THR A 17 2.249 10.538 7.930 1.00 0.00 O ATOM 201 CG2 THR A 17 0.897 8.569 8.291 1.00 0.00 C ATOM 0 H THR A 17 0.345 11.767 5.678 1.00 0.00 H new ATOM 0 HA THR A 17 1.656 9.124 5.712 1.00 0.00 H new ATOM 0 HB THR A 17 0.181 10.554 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.326 10.630 8.903 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.994 8.699 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.069 8.118 8.066 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.694 7.919 7.930 1.00 0.00 H new ATOM 209 N LEU A 18 -0.472 8.093 4.955 1.00 0.00 N ATOM 210 CA LEU A 18 -1.699 7.404 4.570 1.00 0.00 C ATOM 211 C LEU A 18 -1.992 6.244 5.517 1.00 0.00 C ATOM 212 O LEU A 18 -1.098 5.476 5.871 1.00 0.00 O ATOM 213 CB LEU A 18 -1.589 6.888 3.134 1.00 0.00 C ATOM 214 CG LEU A 18 -1.061 7.885 2.102 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.928 7.223 0.740 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.972 9.101 2.020 1.00 0.00 C ATOM 0 H LEU A 18 0.378 7.692 4.559 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.521 8.117 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.938 6.014 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.575 6.551 2.813 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.073 8.218 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.551 7.948 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.234 6.385 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.903 6.861 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.581 9.800 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.974 8.786 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.015 9.589 2.993 1.00 0.00 H new ATOM 228 N VAL A 19 -3.252 6.123 5.923 1.00 0.00 N ATOM 229 CA VAL A 19 -3.665 5.055 6.827 1.00 0.00 C ATOM 230 C VAL A 19 -4.380 3.941 6.071 1.00 0.00 C ATOM 231 O VAL A 19 -5.426 4.163 5.459 1.00 0.00 O ATOM 232 CB VAL A 19 -4.592 5.586 7.936 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.738 4.558 9.048 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.068 6.905 8.483 1.00 0.00 C ATOM 0 H VAL A 19 -4.004 6.751 5.641 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.758 4.657 7.282 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.578 5.764 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.397 4.951 9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.163 3.640 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.759 4.345 9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.736 7.265 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.071 6.757 8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.022 7.640 7.679 1.00 0.00 H new ATOM 244 N LEU A 20 -3.810 2.742 6.117 1.00 0.00 N ATOM 245 CA LEU A 20 -4.393 1.591 5.436 1.00 0.00 C ATOM 246 C LEU A 20 -5.361 0.849 6.353 1.00 0.00 C ATOM 247 O LEU A 20 -5.132 0.743 7.558 1.00 0.00 O ATOM 248 CB LEU A 20 -3.292 0.641 4.962 1.00 0.00 C ATOM 249 CG LEU A 20 -3.691 -0.364 3.882 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.464 -0.853 3.128 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.444 -1.536 4.496 1.00 0.00 C ATOM 0 H LEU A 20 -2.945 2.541 6.619 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.947 1.955 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.462 1.239 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.921 0.088 5.825 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.352 0.136 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.768 -1.568 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.966 -0.006 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.778 -1.336 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.720 -2.242 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.807 -2.035 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.345 -1.171 4.990 1.00 0.00 H new ATOM 263 N SER A 21 -6.441 0.336 5.773 1.00 0.00 N ATOM 264 CA SER A 21 -7.444 -0.396 6.539 1.00 0.00 C ATOM 265 C SER A 21 -7.834 -1.688 5.828 1.00 0.00 C ATOM 266 O SER A 21 -7.910 -1.736 4.601 1.00 0.00 O ATOM 267 CB SER A 21 -8.684 0.474 6.756 1.00 0.00 C ATOM 268 OG SER A 21 -8.438 1.481 7.722 1.00 0.00 O ATOM 0 H SER A 21 -6.644 0.413 4.776 1.00 0.00 H new ATOM 0 HA SER A 21 -7.013 -0.651 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.978 0.935 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.517 -0.149 7.080 1.00 0.00 H new ATOM 0 HG SER A 21 -9.245 2.024 7.841 1.00 0.00 H new ATOM 274 N ASN A 22 -8.080 -2.735 6.610 1.00 0.00 N ATOM 275 CA ASN A 22 -8.461 -4.029 6.056 1.00 0.00 C ATOM 276 C ASN A 22 -7.256 -4.734 5.441 1.00 0.00 C ATOM 277 O ASN A 22 -7.376 -5.420 4.425 1.00 0.00 O ATOM 278 CB ASN A 22 -9.556 -3.854 5.002 1.00 0.00 C ATOM 279 CG ASN A 22 -10.293 -5.147 4.714 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.283 -5.470 5.370 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.813 -5.895 3.727 1.00 0.00 N ATOM 0 H ASN A 22 -8.022 -2.712 7.628 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.844 -4.645 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.267 -3.102 5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.112 -3.479 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.268 -6.776 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.989 -5.589 3.209 1.00 0.00 H new ATOM 288 N LEU A 23 -6.095 -4.561 6.064 1.00 0.00 N ATOM 289 CA LEU A 23 -4.867 -5.182 5.579 1.00 0.00 C ATOM 290 C LEU A 23 -4.854 -6.676 5.886 1.00 0.00 C ATOM 291 O LEU A 23 -5.204 -7.097 6.988 1.00 0.00 O ATOM 292 CB LEU A 23 -3.648 -4.509 6.213 1.00 0.00 C ATOM 293 CG LEU A 23 -2.317 -4.713 5.489 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.239 -3.827 6.093 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.900 -6.175 5.542 1.00 0.00 C ATOM 0 H LEU A 23 -5.978 -3.996 6.905 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.826 -5.052 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.842 -3.439 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.544 -4.878 7.233 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.447 -4.430 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.299 -3.986 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.534 -2.782 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.110 -4.077 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.951 -6.302 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.788 -6.484 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.662 -6.788 5.061 1.00 0.00 H new ATOM 307 N SER A 24 -4.445 -7.472 4.903 1.00 0.00 N ATOM 308 CA SER A 24 -4.387 -8.920 5.067 1.00 0.00 C ATOM 309 C SER A 24 -3.184 -9.323 5.914 1.00 0.00 C ATOM 310 O SER A 24 -2.085 -8.794 5.744 1.00 0.00 O ATOM 311 CB SER A 24 -4.317 -9.607 3.702 1.00 0.00 C ATOM 312 OG SER A 24 -2.973 -9.816 3.304 1.00 0.00 O ATOM 0 H SER A 24 -4.149 -7.139 3.985 1.00 0.00 H new ATOM 0 HA SER A 24 -5.294 -9.239 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.839 -10.563 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.829 -8.997 2.958 1.00 0.00 H new ATOM 0 HG SER A 24 -2.859 -10.745 3.012 1.00 0.00 H new ATOM 318 N TYR A 25 -3.400 -10.264 6.827 1.00 0.00 N ATOM 319 CA TYR A 25 -2.335 -10.737 7.704 1.00 0.00 C ATOM 320 C TYR A 25 -1.165 -11.285 6.892 1.00 0.00 C ATOM 321 O TYR A 25 -0.028 -11.316 7.364 1.00 0.00 O ATOM 322 CB TYR A 25 -2.865 -11.817 8.648 1.00 0.00 C ATOM 323 CG TYR A 25 -4.330 -11.658 8.989 1.00 0.00 C ATOM 324 CD1 TYR A 25 -5.316 -12.213 8.182 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.727 -10.953 10.119 1.00 0.00 C ATOM 326 CE1 TYR A 25 -6.655 -12.068 8.490 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.064 -10.805 10.435 1.00 0.00 C ATOM 328 CZ TYR A 25 -7.024 -11.364 9.617 1.00 0.00 C ATOM 329 OH TYR A 25 -8.356 -11.220 9.928 1.00 0.00 O ATOM 0 H TYR A 25 -4.303 -10.714 6.979 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.981 -9.891 8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.711 -12.795 8.191 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.282 -11.800 9.569 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.031 -12.767 7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.978 -10.513 10.761 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.409 -12.504 7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.356 -10.255 11.317 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.445 -10.699 10.753 1.00 0.00 H new ATOM 339 N SER A 26 -1.452 -11.715 5.668 1.00 0.00 N ATOM 340 CA SER A 26 -0.426 -12.264 4.790 1.00 0.00 C ATOM 341 C SER A 26 0.368 -11.149 4.117 1.00 0.00 C ATOM 342 O SER A 26 1.484 -11.363 3.645 1.00 0.00 O ATOM 343 CB SER A 26 -1.061 -13.166 3.730 1.00 0.00 C ATOM 344 OG SER A 26 -1.590 -14.344 4.312 1.00 0.00 O ATOM 0 H SER A 26 -2.387 -11.694 5.262 1.00 0.00 H new ATOM 0 HA SER A 26 0.258 -12.856 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.854 -12.624 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.316 -13.431 2.980 1.00 0.00 H new ATOM 0 HG SER A 26 -1.991 -14.902 3.614 1.00 0.00 H new ATOM 350 N ALA A 27 -0.218 -9.956 4.076 1.00 0.00 N ATOM 351 CA ALA A 27 0.433 -8.806 3.463 1.00 0.00 C ATOM 352 C ALA A 27 1.506 -8.229 4.380 1.00 0.00 C ATOM 353 O ALA A 27 1.266 -7.999 5.566 1.00 0.00 O ATOM 354 CB ALA A 27 -0.595 -7.740 3.115 1.00 0.00 C ATOM 0 H ALA A 27 -1.143 -9.762 4.460 1.00 0.00 H new ATOM 0 HA ALA A 27 0.917 -9.141 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.094 -6.887 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.323 -8.151 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.106 -7.417 4.022 1.00 0.00 H new ATOM 360 N THR A 28 2.691 -7.997 3.824 1.00 0.00 N ATOM 361 CA THR A 28 3.802 -7.448 4.593 1.00 0.00 C ATOM 362 C THR A 28 4.426 -6.253 3.881 1.00 0.00 C ATOM 363 O THR A 28 4.137 -5.996 2.713 1.00 0.00 O ATOM 364 CB THR A 28 4.890 -8.509 4.843 1.00 0.00 C ATOM 365 OG1 THR A 28 5.569 -8.812 3.619 1.00 0.00 O ATOM 366 CG2 THR A 28 4.286 -9.780 5.421 1.00 0.00 C ATOM 0 H THR A 28 2.906 -8.181 2.844 1.00 0.00 H new ATOM 0 HA THR A 28 3.395 -7.124 5.551 1.00 0.00 H new ATOM 0 HB THR A 28 5.601 -8.104 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.260 -9.486 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.074 -10.514 5.589 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.795 -9.552 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.555 -10.186 4.722 1.00 0.00 H new ATOM 374 N GLU A 29 5.283 -5.528 4.593 1.00 0.00 N ATOM 375 CA GLU A 29 5.947 -4.360 4.028 1.00 0.00 C ATOM 376 C GLU A 29 6.433 -4.644 2.609 1.00 0.00 C ATOM 377 O GLU A 29 6.558 -3.733 1.791 1.00 0.00 O ATOM 378 CB GLU A 29 7.127 -3.940 4.908 1.00 0.00 C ATOM 379 CG GLU A 29 6.752 -2.946 5.994 1.00 0.00 C ATOM 380 CD GLU A 29 7.630 -3.068 7.225 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.625 -4.147 7.853 1.00 0.00 O ATOM 382 OE2 GLU A 29 8.322 -2.084 7.559 1.00 0.00 O ATOM 0 H GLU A 29 5.533 -5.729 5.561 1.00 0.00 H new ATOM 0 HA GLU A 29 5.223 -3.546 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.557 -4.827 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.902 -3.502 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.828 -1.934 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.711 -3.100 6.278 1.00 0.00 H new ATOM 389 N GLU A 30 6.706 -5.914 2.327 1.00 0.00 N ATOM 390 CA GLU A 30 7.180 -6.317 1.008 1.00 0.00 C ATOM 391 C GLU A 30 6.120 -6.048 -0.057 1.00 0.00 C ATOM 392 O GLU A 30 6.395 -5.420 -1.079 1.00 0.00 O ATOM 393 CB GLU A 30 7.554 -7.801 1.008 1.00 0.00 C ATOM 394 CG GLU A 30 9.005 -8.063 1.372 1.00 0.00 C ATOM 395 CD GLU A 30 9.396 -9.518 1.202 1.00 0.00 C ATOM 396 OE1 GLU A 30 8.728 -10.386 1.801 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.370 -9.789 0.469 1.00 0.00 O ATOM 0 H GLU A 30 6.607 -6.680 2.993 1.00 0.00 H new ATOM 0 HA GLU A 30 8.065 -5.726 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.911 -8.329 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.355 -8.217 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.650 -7.442 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.176 -7.763 2.406 1.00 0.00 H new ATOM 404 N THR A 31 4.906 -6.530 0.191 1.00 0.00 N ATOM 405 CA THR A 31 3.804 -6.344 -0.745 1.00 0.00 C ATOM 406 C THR A 31 3.427 -4.872 -0.864 1.00 0.00 C ATOM 407 O THR A 31 3.115 -4.386 -1.953 1.00 0.00 O ATOM 408 CB THR A 31 2.562 -7.148 -0.318 1.00 0.00 C ATOM 409 OG1 THR A 31 2.938 -8.487 0.020 1.00 0.00 O ATOM 410 CG2 THR A 31 1.525 -7.172 -1.431 1.00 0.00 C ATOM 0 H THR A 31 4.661 -7.052 1.032 1.00 0.00 H new ATOM 0 HA THR A 31 4.147 -6.708 -1.714 1.00 0.00 H new ATOM 0 HB THR A 31 2.124 -6.663 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.180 -8.943 0.441 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.657 -7.745 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.220 -6.152 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.955 -7.635 -2.319 1.00 0.00 H new ATOM 418 N LEU A 32 3.456 -4.165 0.260 1.00 0.00 N ATOM 419 CA LEU A 32 3.117 -2.746 0.282 1.00 0.00 C ATOM 420 C LEU A 32 4.130 -1.932 -0.517 1.00 0.00 C ATOM 421 O LEU A 32 3.768 -0.981 -1.209 1.00 0.00 O ATOM 422 CB LEU A 32 3.060 -2.238 1.723 1.00 0.00 C ATOM 423 CG LEU A 32 2.251 -3.088 2.704 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.392 -2.550 4.119 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.787 -3.129 2.291 1.00 0.00 C ATOM 0 H LEU A 32 3.711 -4.551 1.169 1.00 0.00 H new ATOM 0 HA LEU A 32 2.137 -2.624 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.080 -2.157 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.642 -1.231 1.716 1.00 0.00 H new ATOM 0 HG LEU A 32 2.643 -4.105 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.810 -3.167 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.441 -2.572 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.027 -1.524 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.226 -3.738 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.383 -2.117 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.702 -3.562 1.294 1.00 0.00 H new ATOM 437 N GLN A 33 5.399 -2.314 -0.417 1.00 0.00 N ATOM 438 CA GLN A 33 6.464 -1.620 -1.132 1.00 0.00 C ATOM 439 C GLN A 33 6.220 -1.654 -2.637 1.00 0.00 C ATOM 440 O GLN A 33 6.769 -0.842 -3.382 1.00 0.00 O ATOM 441 CB GLN A 33 7.819 -2.250 -0.808 1.00 0.00 C ATOM 442 CG GLN A 33 8.511 -1.623 0.391 1.00 0.00 C ATOM 443 CD GLN A 33 9.389 -0.447 0.009 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.507 -0.624 -0.476 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.887 0.763 0.227 1.00 0.00 N ATOM 0 H GLN A 33 5.715 -3.100 0.152 1.00 0.00 H new ATOM 0 HA GLN A 33 6.469 -0.580 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.680 -3.315 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.469 -2.162 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.759 -1.293 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.118 -2.378 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.956 0.864 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.433 1.592 -0.010 1.00 0.00 H new ATOM 454 N GLU A 34 5.395 -2.598 -3.077 1.00 0.00 N ATOM 455 CA GLU A 34 5.081 -2.737 -4.495 1.00 0.00 C ATOM 456 C GLU A 34 3.952 -1.793 -4.897 1.00 0.00 C ATOM 457 O GLU A 34 3.974 -1.205 -5.978 1.00 0.00 O ATOM 458 CB GLU A 34 4.691 -4.182 -4.814 1.00 0.00 C ATOM 459 CG GLU A 34 5.775 -5.193 -4.482 1.00 0.00 C ATOM 460 CD GLU A 34 5.414 -6.600 -4.918 1.00 0.00 C ATOM 461 OE1 GLU A 34 5.099 -6.790 -6.111 1.00 0.00 O ATOM 462 OE2 GLU A 34 5.447 -7.511 -4.065 1.00 0.00 O ATOM 0 H GLU A 34 4.932 -3.278 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 34 5.971 -2.474 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.787 -4.436 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.447 -4.258 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.705 -4.894 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.957 -5.185 -3.407 1.00 0.00 H new ATOM 469 N VAL A 35 2.964 -1.653 -4.018 1.00 0.00 N ATOM 470 CA VAL A 35 1.826 -0.781 -4.280 1.00 0.00 C ATOM 471 C VAL A 35 2.215 0.687 -4.144 1.00 0.00 C ATOM 472 O VAL A 35 1.750 1.537 -4.903 1.00 0.00 O ATOM 473 CB VAL A 35 0.656 -1.081 -3.324 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.549 -0.220 -3.667 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.297 -2.558 -3.370 1.00 0.00 C ATOM 0 H VAL A 35 2.929 -2.133 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 35 1.508 -0.976 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 35 0.968 -0.838 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.365 -0.446 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.281 0.833 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.866 -0.428 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.531 -2.752 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.004 -2.830 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.160 -3.152 -3.070 1.00 0.00 H new ATOM 485 N PHE A 36 3.073 0.978 -3.171 1.00 0.00 N ATOM 486 CA PHE A 36 3.526 2.344 -2.934 1.00 0.00 C ATOM 487 C PHE A 36 5.026 2.469 -3.180 1.00 0.00 C ATOM 488 O PHE A 36 5.837 2.109 -2.328 1.00 0.00 O ATOM 489 CB PHE A 36 3.194 2.772 -1.503 1.00 0.00 C ATOM 490 CG PHE A 36 1.754 2.563 -1.133 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.790 3.490 -1.495 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.363 1.438 -0.424 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.536 3.300 -1.154 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.039 1.242 -0.081 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.913 2.174 -0.448 1.00 0.00 C ATOM 0 H PHE A 36 3.468 0.286 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 36 3.006 3.000 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.823 2.214 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.443 3.826 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.078 4.371 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.103 0.705 -0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.277 4.032 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.251 0.362 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.949 2.022 -0.184 1.00 0.00 H new ATOM 505 N GLU A 37 5.387 2.983 -4.352 1.00 0.00 N ATOM 506 CA GLU A 37 6.790 3.155 -4.711 1.00 0.00 C ATOM 507 C GLU A 37 7.333 4.473 -4.167 1.00 0.00 C ATOM 508 O GLU A 37 8.514 4.584 -3.839 1.00 0.00 O ATOM 509 CB GLU A 37 6.960 3.109 -6.231 1.00 0.00 C ATOM 510 CG GLU A 37 6.502 1.802 -6.855 1.00 0.00 C ATOM 511 CD GLU A 37 7.469 0.663 -6.598 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.226 0.740 -5.607 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.469 -0.305 -7.387 1.00 0.00 O ATOM 0 H GLU A 37 4.728 3.287 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 37 7.356 2.337 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.399 3.931 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.010 3.271 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.522 1.538 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.384 1.938 -7.930 1.00 0.00 H new ATOM 520 N LYS A 38 6.461 5.472 -4.074 1.00 0.00 N ATOM 521 CA LYS A 38 6.851 6.784 -3.569 1.00 0.00 C ATOM 522 C LYS A 38 6.894 6.789 -2.045 1.00 0.00 C ATOM 523 O LYS A 38 7.527 7.651 -1.436 1.00 0.00 O ATOM 524 CB LYS A 38 5.876 7.854 -4.066 1.00 0.00 C ATOM 525 CG LYS A 38 5.565 7.752 -5.549 1.00 0.00 C ATOM 526 CD LYS A 38 6.649 8.400 -6.393 1.00 0.00 C ATOM 527 CE LYS A 38 6.562 7.961 -7.846 1.00 0.00 C ATOM 528 NZ LYS A 38 6.712 6.486 -7.990 1.00 0.00 N ATOM 0 H LYS A 38 5.480 5.398 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 38 7.850 7.008 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.946 7.776 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.294 8.839 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.463 6.703 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.608 8.231 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.558 9.485 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.628 8.140 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.603 8.271 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.338 8.463 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.066 6.264 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.385 6.135 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.789 6.028 -7.849 1.00 0.00 H new ATOM 542 N ALA A 39 6.218 5.821 -1.434 1.00 0.00 N ATOM 543 CA ALA A 39 6.183 5.713 0.019 1.00 0.00 C ATOM 544 C ALA A 39 7.589 5.754 0.607 1.00 0.00 C ATOM 545 O ALA A 39 8.361 4.805 0.466 1.00 0.00 O ATOM 546 CB ALA A 39 5.472 4.434 0.436 1.00 0.00 C ATOM 0 H ALA A 39 5.687 5.100 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 39 5.630 6.567 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.453 4.366 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.451 4.445 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.002 3.573 0.028 1.00 0.00 H new ATOM 552 N THR A 40 7.918 6.861 1.266 1.00 0.00 N ATOM 553 CA THR A 40 9.233 7.027 1.873 1.00 0.00 C ATOM 554 C THR A 40 9.438 6.039 3.016 1.00 0.00 C ATOM 555 O THR A 40 10.564 5.815 3.461 1.00 0.00 O ATOM 556 CB THR A 40 9.429 8.459 2.405 1.00 0.00 C ATOM 557 OG1 THR A 40 8.480 8.731 3.442 1.00 0.00 O ATOM 558 CG2 THR A 40 9.271 9.478 1.287 1.00 0.00 C ATOM 0 H THR A 40 7.292 7.656 1.393 1.00 0.00 H new ATOM 0 HA THR A 40 9.969 6.834 1.093 1.00 0.00 H new ATOM 0 HB THR A 40 10.439 8.538 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.859 8.473 4.308 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.414 10.482 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.014 9.287 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.272 9.397 0.859 1.00 0.00 H new ATOM 566 N PHE A 41 8.344 5.451 3.488 1.00 0.00 N ATOM 567 CA PHE A 41 8.405 4.487 4.581 1.00 0.00 C ATOM 568 C PHE A 41 7.062 3.786 4.763 1.00 0.00 C ATOM 569 O PHE A 41 6.005 4.409 4.654 1.00 0.00 O ATOM 570 CB PHE A 41 8.810 5.184 5.882 1.00 0.00 C ATOM 571 CG PHE A 41 9.278 4.236 6.948 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.611 3.866 7.029 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.385 3.715 7.871 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.043 2.993 8.009 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.812 2.842 8.854 1.00 0.00 C ATOM 576 CZ PHE A 41 10.144 2.482 8.924 1.00 0.00 C ATOM 0 H PHE A 41 7.404 5.625 3.131 1.00 0.00 H new ATOM 0 HA PHE A 41 9.155 3.737 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.604 5.900 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.960 5.753 6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.320 4.264 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.343 3.994 7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.084 2.710 8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.105 2.442 9.566 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.481 1.802 9.693 1.00 0.00 H new ATOM 586 N ILE A 42 7.112 2.488 5.040 1.00 0.00 N ATOM 587 CA ILE A 42 5.901 1.702 5.237 1.00 0.00 C ATOM 588 C ILE A 42 5.942 0.952 6.564 1.00 0.00 C ATOM 589 O ILE A 42 6.947 0.328 6.907 1.00 0.00 O ATOM 590 CB ILE A 42 5.693 0.690 4.095 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.253 1.411 2.819 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.668 -0.360 4.497 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.416 0.578 1.567 1.00 0.00 C ATOM 0 H ILE A 42 7.979 1.958 5.133 1.00 0.00 H new ATOM 0 HA ILE A 42 5.068 2.405 5.244 1.00 0.00 H new ATOM 0 HB ILE A 42 6.640 0.188 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.207 1.702 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.831 2.329 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.532 -1.068 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.019 -0.891 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.717 0.125 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.085 1.153 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.465 0.308 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.816 -0.328 1.652 1.00 0.00 H new ATOM 605 N LYS A 43 4.843 1.014 7.308 1.00 0.00 N ATOM 606 CA LYS A 43 4.750 0.339 8.597 1.00 0.00 C ATOM 607 C LYS A 43 3.535 -0.582 8.643 1.00 0.00 C ATOM 608 O LYS A 43 2.438 -0.200 8.234 1.00 0.00 O ATOM 609 CB LYS A 43 4.670 1.365 9.729 1.00 0.00 C ATOM 610 CG LYS A 43 5.042 0.801 11.089 1.00 0.00 C ATOM 611 CD LYS A 43 6.529 0.945 11.365 1.00 0.00 C ATOM 612 CE LYS A 43 6.896 0.402 12.737 1.00 0.00 C ATOM 613 NZ LYS A 43 8.336 0.032 12.820 1.00 0.00 N ATOM 0 H LYS A 43 4.003 1.526 7.040 1.00 0.00 H new ATOM 0 HA LYS A 43 5.647 -0.266 8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.331 2.200 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.657 1.764 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.476 1.316 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.763 -0.252 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.095 0.415 10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.812 1.996 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.669 1.150 13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.283 -0.472 12.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.546 -0.334 13.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.548 -0.700 12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.921 0.871 12.635 1.00 0.00 H new ATOM 627 N VAL A 44 3.736 -1.796 9.145 1.00 0.00 N ATOM 628 CA VAL A 44 2.656 -2.770 9.247 1.00 0.00 C ATOM 629 C VAL A 44 2.638 -3.428 10.622 1.00 0.00 C ATOM 630 O VAL A 44 3.412 -4.341 10.911 1.00 0.00 O ATOM 631 CB VAL A 44 2.781 -3.862 8.168 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.228 -4.309 8.026 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.880 -5.042 8.499 1.00 0.00 C ATOM 0 H VAL A 44 4.637 -2.129 9.488 1.00 0.00 H new ATOM 0 HA VAL A 44 1.724 -2.226 9.096 1.00 0.00 H new ATOM 0 HB VAL A 44 2.460 -3.445 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.297 -5.081 7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.845 -3.457 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.580 -4.710 8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.980 -5.804 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.169 -5.461 9.463 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.844 -4.707 8.545 1.00 0.00 H new ATOM 643 N PRO A 45 1.733 -2.956 11.492 1.00 0.00 N ATOM 644 CA PRO A 45 1.591 -3.486 12.852 1.00 0.00 C ATOM 645 C PRO A 45 1.014 -4.897 12.867 1.00 0.00 C ATOM 646 O PRO A 45 -0.141 -5.109 12.498 1.00 0.00 O ATOM 647 CB PRO A 45 0.621 -2.505 13.515 1.00 0.00 C ATOM 648 CG PRO A 45 -0.163 -1.926 12.387 1.00 0.00 C ATOM 649 CD PRO A 45 0.778 -1.870 11.215 1.00 0.00 C ATOM 0 HA PRO A 45 2.552 -3.567 13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.028 -3.012 14.229 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.156 -1.730 14.064 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.033 -2.542 12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.533 -0.932 12.638 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.255 -2.026 10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.277 -0.904 11.146 1.00 0.00 H new ATOM 657 N GLN A 46 1.826 -5.859 13.296 1.00 0.00 N ATOM 658 CA GLN A 46 1.395 -7.250 13.358 1.00 0.00 C ATOM 659 C GLN A 46 1.641 -7.835 14.745 1.00 0.00 C ATOM 660 O GLN A 46 2.437 -7.305 15.520 1.00 0.00 O ATOM 661 CB GLN A 46 2.128 -8.081 12.304 1.00 0.00 C ATOM 662 CG GLN A 46 3.613 -7.771 12.210 1.00 0.00 C ATOM 663 CD GLN A 46 4.334 -8.665 11.220 1.00 0.00 C ATOM 664 OE1 GLN A 46 5.054 -9.586 11.608 1.00 0.00 O ATOM 665 NE2 GLN A 46 4.144 -8.398 9.933 1.00 0.00 N ATOM 0 H GLN A 46 2.785 -5.700 13.605 1.00 0.00 H new ATOM 0 HA GLN A 46 0.325 -7.281 13.155 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.000 -9.139 12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.667 -7.908 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.745 -6.730 11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.067 -7.885 13.194 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.539 -7.625 9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.603 -8.966 9.221 1.00 0.00 H new ATOM 726 N LYS A 51 0.780 -11.791 12.316 1.00 0.00 N ATOM 727 CA LYS A 51 -0.491 -11.443 11.692 1.00 0.00 C ATOM 728 C LYS A 51 -0.805 -9.963 11.885 1.00 0.00 C ATOM 729 O LYS A 51 -0.867 -9.474 13.013 1.00 0.00 O ATOM 730 CB LYS A 51 -1.620 -12.295 12.277 1.00 0.00 C ATOM 731 CG LYS A 51 -1.777 -13.645 11.599 1.00 0.00 C ATOM 732 CD LYS A 51 -2.953 -14.421 12.167 1.00 0.00 C ATOM 733 CE LYS A 51 -3.270 -15.648 11.325 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.466 -16.376 11.834 1.00 0.00 N ATOM 0 HA LYS A 51 -0.409 -11.643 10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.433 -12.451 13.339 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.558 -11.746 12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.918 -13.501 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.863 -14.225 11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.729 -14.728 13.189 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.829 -13.774 12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.441 -15.345 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.411 -16.318 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.649 -17.205 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.293 -16.687 12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.292 -15.744 11.813 1.00 0.00 H new ATOM 748 N SER A 52 -1.003 -9.255 10.778 1.00 0.00 N ATOM 749 CA SER A 52 -1.308 -7.830 10.826 1.00 0.00 C ATOM 750 C SER A 52 -2.607 -7.578 11.586 1.00 0.00 C ATOM 751 O SER A 52 -3.560 -8.349 11.483 1.00 0.00 O ATOM 752 CB SER A 52 -1.414 -7.261 9.410 1.00 0.00 C ATOM 753 OG SER A 52 -1.040 -5.895 9.379 1.00 0.00 O ATOM 0 H SER A 52 -0.958 -9.645 9.837 1.00 0.00 H new ATOM 0 HA SER A 52 -0.496 -7.328 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.774 -7.832 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.436 -7.370 9.047 1.00 0.00 H new ATOM 0 HG SER A 52 -1.641 -5.405 8.779 1.00 0.00 H new ATOM 759 N LYS A 53 -2.636 -6.491 12.350 1.00 0.00 N ATOM 760 CA LYS A 53 -3.816 -6.134 13.128 1.00 0.00 C ATOM 761 C LYS A 53 -4.996 -5.820 12.214 1.00 0.00 C ATOM 762 O LYS A 53 -6.153 -5.925 12.619 1.00 0.00 O ATOM 763 CB LYS A 53 -3.517 -4.929 14.023 1.00 0.00 C ATOM 764 CG LYS A 53 -2.224 -5.061 14.809 1.00 0.00 C ATOM 765 CD LYS A 53 -2.295 -4.315 16.130 1.00 0.00 C ATOM 766 CE LYS A 53 -1.412 -4.963 17.185 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.952 -4.767 18.559 1.00 0.00 N ATOM 0 H LYS A 53 -1.855 -5.842 12.447 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.080 -6.987 13.753 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.467 -4.032 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.344 -4.791 14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.017 -6.115 14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.396 -4.674 14.216 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.986 -3.280 15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.327 -4.293 16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.323 -6.030 16.979 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.408 -4.542 17.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.321 -5.224 19.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.013 -3.750 18.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.900 -5.191 18.623 1.00 0.00 H new ATOM 781 N GLY A 54 -4.695 -5.436 10.977 1.00 0.00 N ATOM 782 CA GLY A 54 -5.741 -5.115 10.024 1.00 0.00 C ATOM 783 C GLY A 54 -5.571 -3.736 9.419 1.00 0.00 C ATOM 784 O GLY A 54 -6.415 -3.281 8.646 1.00 0.00 O ATOM 0 H GLY A 54 -3.745 -5.342 10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.744 -5.860 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.710 -5.174 10.519 1.00 0.00 H new ATOM 788 N TYR A 55 -4.479 -3.067 9.772 1.00 0.00 N ATOM 789 CA TYR A 55 -4.203 -1.730 9.261 1.00 0.00 C ATOM 790 C TYR A 55 -2.701 -1.502 9.114 1.00 0.00 C ATOM 791 O TYR A 55 -1.892 -2.286 9.607 1.00 0.00 O ATOM 792 CB TYR A 55 -4.801 -0.673 10.190 1.00 0.00 C ATOM 793 CG TYR A 55 -4.601 -0.974 11.658 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.327 -1.978 12.287 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.687 -0.254 12.417 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.148 -2.257 13.628 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.501 -0.526 13.759 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.233 -1.528 14.360 1.00 0.00 C ATOM 799 OH TYR A 55 -4.052 -1.802 15.696 1.00 0.00 O ATOM 0 H TYR A 55 -3.770 -3.429 10.410 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.664 -1.643 8.277 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.353 0.294 9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.869 -0.586 9.988 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.044 -2.550 11.717 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.112 0.532 11.950 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.721 -3.041 14.101 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.786 0.043 14.334 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.372 -1.200 16.064 1.00 0.00 H new ATOM 809 N ALA A 56 -2.338 -0.421 8.431 1.00 0.00 N ATOM 810 CA ALA A 56 -0.935 -0.087 8.220 1.00 0.00 C ATOM 811 C ALA A 56 -0.738 1.422 8.123 1.00 0.00 C ATOM 812 O ALA A 56 -1.701 2.175 7.980 1.00 0.00 O ATOM 813 CB ALA A 56 -0.412 -0.771 6.965 1.00 0.00 C ATOM 0 H ALA A 56 -2.996 0.238 8.015 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.369 -0.446 9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.637 -0.512 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.508 -1.851 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.990 -0.440 6.102 1.00 0.00 H new ATOM 819 N PHE A 57 0.515 1.857 8.203 1.00 0.00 N ATOM 820 CA PHE A 57 0.837 3.277 8.126 1.00 0.00 C ATOM 821 C PHE A 57 1.837 3.548 7.006 1.00 0.00 C ATOM 822 O PHE A 57 2.973 3.073 7.045 1.00 0.00 O ATOM 823 CB PHE A 57 1.405 3.766 9.461 1.00 0.00 C ATOM 824 CG PHE A 57 0.375 3.864 10.550 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.513 4.926 10.589 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.297 2.893 11.536 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.462 5.019 11.590 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.650 2.980 12.539 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.530 4.045 12.567 1.00 0.00 C ATOM 0 H PHE A 57 1.324 1.247 8.321 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.082 3.821 7.908 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.197 3.088 9.780 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.863 4.744 9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.464 5.691 9.828 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.984 2.059 11.520 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.149 5.852 11.608 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.702 2.216 13.301 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.269 4.116 13.351 1.00 0.00 H new ATOM 839 N ILE A 58 1.406 4.313 6.009 1.00 0.00 N ATOM 840 CA ILE A 58 2.263 4.648 4.878 1.00 0.00 C ATOM 841 C ILE A 58 2.797 6.071 4.995 1.00 0.00 C ATOM 842 O ILE A 58 2.070 6.988 5.377 1.00 0.00 O ATOM 843 CB ILE A 58 1.513 4.501 3.541 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.507 3.351 3.618 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.497 4.276 2.403 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.156 1.987 3.712 1.00 0.00 C ATOM 0 H ILE A 58 0.469 4.713 5.961 1.00 0.00 H new ATOM 0 HA ILE A 58 3.098 3.947 4.896 1.00 0.00 H new ATOM 0 HB ILE A 58 0.967 5.424 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.136 3.499 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.134 3.380 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.951 4.174 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.177 5.125 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.069 3.367 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.384 1.219 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.777 1.818 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.775 1.939 4.608 1.00 0.00 H new ATOM 858 N GLU A 59 4.071 6.249 4.662 1.00 0.00 N ATOM 859 CA GLU A 59 4.702 7.561 4.729 1.00 0.00 C ATOM 860 C GLU A 59 5.201 7.997 3.354 1.00 0.00 C ATOM 861 O GLU A 59 5.701 7.183 2.576 1.00 0.00 O ATOM 862 CB GLU A 59 5.866 7.543 5.722 1.00 0.00 C ATOM 863 CG GLU A 59 6.219 8.914 6.272 1.00 0.00 C ATOM 864 CD GLU A 59 7.569 8.936 6.962 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.530 8.368 6.402 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.665 9.521 8.061 1.00 0.00 O ATOM 0 H GLU A 59 4.686 5.501 4.343 1.00 0.00 H new ATOM 0 HA GLU A 59 3.954 8.277 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.614 6.882 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.743 7.120 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.219 9.639 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.449 9.227 6.977 1.00 0.00 H new ATOM 873 N PHE A 60 5.059 9.285 3.060 1.00 0.00 N ATOM 874 CA PHE A 60 5.493 9.829 1.779 1.00 0.00 C ATOM 875 C PHE A 60 6.335 11.086 1.978 1.00 0.00 C ATOM 876 O PHE A 60 6.537 11.538 3.105 1.00 0.00 O ATOM 877 CB PHE A 60 4.282 10.147 0.899 1.00 0.00 C ATOM 878 CG PHE A 60 3.480 8.935 0.522 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.624 8.341 1.435 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.583 8.388 -0.747 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.885 7.226 1.091 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.846 7.272 -1.098 1.00 0.00 C ATOM 883 CZ PHE A 60 1.997 6.690 -0.177 1.00 0.00 C ATOM 0 H PHE A 60 4.647 9.972 3.692 1.00 0.00 H new ATOM 0 HA PHE A 60 6.107 9.077 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.636 10.851 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.623 10.644 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.533 8.755 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.247 8.839 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.221 6.774 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.934 6.856 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.422 5.817 -0.448 1.00 0.00 H new ATOM 893 N ALA A 61 6.824 11.645 0.876 1.00 0.00 N ATOM 894 CA ALA A 61 7.642 12.850 0.929 1.00 0.00 C ATOM 895 C ALA A 61 6.808 14.063 1.327 1.00 0.00 C ATOM 896 O ALA A 61 7.289 14.957 2.023 1.00 0.00 O ATOM 897 CB ALA A 61 8.317 13.088 -0.414 1.00 0.00 C ATOM 0 H ALA A 61 6.668 11.282 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 61 8.410 12.706 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.925 13.991 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.953 12.237 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.558 13.207 -1.187 1.00 0.00 H new ATOM 903 N SER A 62 5.557 14.088 0.879 1.00 0.00 N ATOM 904 CA SER A 62 4.658 15.194 1.185 1.00 0.00 C ATOM 905 C SER A 62 3.233 14.875 0.741 1.00 0.00 C ATOM 906 O SER A 62 2.967 13.807 0.189 1.00 0.00 O ATOM 907 CB SER A 62 5.141 16.476 0.503 1.00 0.00 C ATOM 908 OG SER A 62 6.050 17.182 1.329 1.00 0.00 O ATOM 0 H SER A 62 5.143 13.355 0.303 1.00 0.00 H new ATOM 0 HA SER A 62 4.660 15.342 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.622 16.229 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.287 17.112 0.271 1.00 0.00 H new ATOM 0 HG SER A 62 6.521 16.550 1.912 1.00 0.00 H new ATOM 914 N PHE A 63 2.320 15.809 0.987 1.00 0.00 N ATOM 915 CA PHE A 63 0.922 15.628 0.614 1.00 0.00 C ATOM 916 C PHE A 63 0.785 15.395 -0.887 1.00 0.00 C ATOM 917 O PHE A 63 -0.280 15.014 -1.372 1.00 0.00 O ATOM 918 CB PHE A 63 0.099 16.849 1.029 1.00 0.00 C ATOM 919 CG PHE A 63 -1.268 16.890 0.410 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.219 15.936 0.735 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.603 17.882 -0.498 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.478 15.971 0.166 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.860 17.922 -1.070 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.799 16.965 -0.737 1.00 0.00 C ATOM 0 H PHE A 63 2.523 16.699 1.443 1.00 0.00 H new ATOM 0 HA PHE A 63 0.544 14.749 1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.002 16.857 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.641 17.753 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.974 15.156 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.873 18.633 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.210 15.221 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.108 18.700 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.783 16.994 -1.182 1.00 0.00 H new ATOM 934 N GLU A 64 1.871 15.627 -1.618 1.00 0.00 N ATOM 935 CA GLU A 64 1.872 15.444 -3.064 1.00 0.00 C ATOM 936 C GLU A 64 1.914 13.961 -3.425 1.00 0.00 C ATOM 937 O GLU A 64 0.966 13.424 -3.999 1.00 0.00 O ATOM 938 CB GLU A 64 3.066 16.166 -3.692 1.00 0.00 C ATOM 939 CG GLU A 64 2.771 17.606 -4.079 1.00 0.00 C ATOM 940 CD GLU A 64 1.952 17.713 -5.350 1.00 0.00 C ATOM 941 OE1 GLU A 64 2.255 16.980 -6.315 1.00 0.00 O ATOM 942 OE2 GLU A 64 1.008 18.529 -5.380 1.00 0.00 O ATOM 0 H GLU A 64 2.761 15.942 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 64 0.950 15.871 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.900 16.151 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.386 15.618 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.236 18.095 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.711 18.143 -4.211 1.00 0.00 H new ATOM 949 N ASP A 65 3.018 13.307 -3.085 1.00 0.00 N ATOM 950 CA ASP A 65 3.185 11.887 -3.372 1.00 0.00 C ATOM 951 C ASP A 65 2.130 11.058 -2.645 1.00 0.00 C ATOM 952 O ASP A 65 1.617 10.079 -3.184 1.00 0.00 O ATOM 953 CB ASP A 65 4.585 11.423 -2.966 1.00 0.00 C ATOM 954 CG ASP A 65 5.611 11.657 -4.057 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.223 11.670 -5.245 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.802 11.828 -3.724 1.00 0.00 O ATOM 0 H ASP A 65 3.812 13.737 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 65 3.060 11.742 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.892 11.951 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.556 10.361 -2.720 1.00 0.00 H new ATOM 961 N ALA A 66 1.814 11.458 -1.418 1.00 0.00 N ATOM 962 CA ALA A 66 0.820 10.754 -0.618 1.00 0.00 C ATOM 963 C ALA A 66 -0.523 10.694 -1.337 1.00 0.00 C ATOM 964 O ALA A 66 -1.101 9.621 -1.509 1.00 0.00 O ATOM 965 CB ALA A 66 0.665 11.423 0.740 1.00 0.00 C ATOM 0 H ALA A 66 2.232 12.266 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 66 1.168 9.732 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.081 10.887 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.620 11.407 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.344 12.456 0.602 1.00 0.00 H new ATOM 971 N LYS A 67 -1.017 11.855 -1.756 1.00 0.00 N ATOM 972 CA LYS A 67 -2.292 11.937 -2.457 1.00 0.00 C ATOM 973 C LYS A 67 -2.201 11.277 -3.830 1.00 0.00 C ATOM 974 O LYS A 67 -3.215 10.888 -4.409 1.00 0.00 O ATOM 975 CB LYS A 67 -2.721 13.398 -2.610 1.00 0.00 C ATOM 976 CG LYS A 67 -3.951 13.582 -3.483 1.00 0.00 C ATOM 977 CD LYS A 67 -5.204 13.062 -2.799 1.00 0.00 C ATOM 978 CE LYS A 67 -5.825 14.118 -1.897 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.757 15.007 -2.644 1.00 0.00 N ATOM 0 H LYS A 67 -0.552 12.753 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.038 11.406 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.921 13.815 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.895 13.968 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.076 14.639 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.808 13.059 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.929 12.753 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.959 12.178 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.362 13.630 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.036 14.718 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.159 15.713 -1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.239 15.492 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.524 14.438 -3.055 1.00 0.00 H new ATOM 993 N GLU A 68 -0.981 11.153 -4.342 1.00 0.00 N ATOM 994 CA GLU A 68 -0.759 10.538 -5.646 1.00 0.00 C ATOM 995 C GLU A 68 -1.039 9.039 -5.596 1.00 0.00 C ATOM 996 O GLU A 68 -1.578 8.466 -6.542 1.00 0.00 O ATOM 997 CB GLU A 68 0.676 10.785 -6.113 1.00 0.00 C ATOM 998 CG GLU A 68 1.030 10.062 -7.402 1.00 0.00 C ATOM 999 CD GLU A 68 0.654 10.856 -8.638 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -0.497 10.719 -9.103 1.00 0.00 O ATOM 1001 OE2 GLU A 68 1.510 11.613 -9.141 1.00 0.00 O ATOM 0 H GLU A 68 -0.132 11.470 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.448 10.995 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.824 11.856 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.364 10.469 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.101 9.858 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.521 9.098 -7.425 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.667 8.411 -4.485 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.879 6.979 -4.310 1.00 0.00 C ATOM 1010 C ALA A 69 -2.232 6.699 -3.665 1.00 0.00 C ATOM 1011 O ALA A 69 -2.832 5.647 -3.889 1.00 0.00 O ATOM 1012 CB ALA A 69 0.242 6.379 -3.474 1.00 0.00 C ATOM 0 H ALA A 69 -0.218 8.871 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.873 6.512 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.072 5.309 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.196 6.539 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.262 6.858 -2.495 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.707 7.646 -2.863 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.990 7.500 -2.184 1.00 0.00 C ATOM 1020 C LEU A 70 -5.145 7.611 -3.174 1.00 0.00 C ATOM 1021 O LEU A 70 -6.243 7.116 -2.919 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.135 8.563 -1.093 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.564 8.995 -0.763 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.286 7.905 0.013 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.559 10.298 0.023 1.00 0.00 C ATOM 0 H LEU A 70 -2.223 8.522 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.021 6.511 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.671 8.185 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.571 9.445 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.098 9.160 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.301 8.231 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.322 6.995 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.753 7.707 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.584 10.590 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.008 10.160 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.081 11.078 -0.569 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.889 8.260 -4.304 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.908 8.434 -5.334 1.00 0.00 C ATOM 1039 C ASN A 71 -6.114 7.141 -6.118 1.00 0.00 C ATOM 1040 O ASN A 71 -7.235 6.810 -6.504 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.512 9.564 -6.287 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.015 10.916 -5.820 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.139 11.039 -5.334 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.181 11.940 -5.966 1.00 0.00 N ATOM 0 H ASN A 71 -3.985 8.675 -4.531 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.846 8.694 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.426 9.595 -6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.910 9.354 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.464 12.874 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.258 11.792 -6.374 1.00 0.00 H new ATOM 1051 N SER A 72 -5.025 6.415 -6.348 1.00 0.00 N ATOM 1052 CA SER A 72 -5.086 5.160 -7.089 1.00 0.00 C ATOM 1053 C SER A 72 -5.157 3.970 -6.137 1.00 0.00 C ATOM 1054 O SER A 72 -6.166 3.266 -6.080 1.00 0.00 O ATOM 1055 CB SER A 72 -3.868 5.024 -8.004 1.00 0.00 C ATOM 1056 OG SER A 72 -4.160 4.207 -9.124 1.00 0.00 O ATOM 0 H SER A 72 -4.090 6.674 -6.032 1.00 0.00 H new ATOM 0 HA SER A 72 -5.990 5.170 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.552 6.011 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.035 4.596 -7.445 1.00 0.00 H new ATOM 0 HG SER A 72 -3.366 4.137 -9.694 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.080 3.752 -5.391 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.018 2.647 -4.441 1.00 0.00 C ATOM 1064 C CYS A 73 -5.361 2.455 -3.743 1.00 0.00 C ATOM 1065 O CYS A 73 -5.721 1.341 -3.365 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.922 2.899 -3.404 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.312 3.307 -4.118 1.00 0.00 S ATOM 0 H CYS A 73 -3.237 4.326 -5.426 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.782 1.738 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.235 3.713 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.816 2.012 -2.779 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.394 3.207 -3.203 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.096 3.549 -3.573 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.398 3.501 -2.918 1.00 0.00 C ATOM 1075 C ASN A 74 -8.119 2.195 -3.236 1.00 0.00 C ATOM 1076 O ASN A 74 -8.366 1.875 -4.399 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.256 4.690 -3.356 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.229 5.128 -2.278 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.432 5.232 -2.518 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.711 5.388 -1.084 1.00 0.00 N ATOM 0 H ASN A 74 -5.812 4.479 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.238 3.554 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.607 5.526 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.810 4.423 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.316 5.688 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.708 5.288 -0.931 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.454 1.442 -2.193 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.148 0.170 -2.358 1.00 0.00 C ATOM 1089 C LYS A 75 -8.338 -0.782 -3.231 1.00 0.00 C ATOM 1090 O LYS A 75 -8.835 -1.294 -4.235 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.529 0.397 -2.978 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.372 1.414 -2.229 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.493 1.958 -3.099 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.256 3.069 -2.394 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.271 3.697 -3.285 1.00 0.00 N ATOM 0 H LYS A 75 -8.256 1.691 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.268 -0.281 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.405 0.729 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.064 -0.552 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.794 0.952 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.739 2.236 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.079 2.336 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.179 1.151 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.749 2.666 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.555 3.829 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.769 4.449 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.798 4.104 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.955 2.977 -3.593 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.089 -1.017 -2.842 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.211 -1.909 -3.589 1.00 0.00 C ATOM 1111 C ARG A 76 -6.400 -3.357 -3.145 1.00 0.00 C ATOM 1112 O ARG A 76 -6.227 -3.683 -1.971 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.750 -1.494 -3.404 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.757 -2.481 -3.996 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.670 -2.344 -5.508 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.696 -3.266 -6.086 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.391 -3.298 -7.379 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.981 -2.463 -8.223 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.495 -4.166 -7.829 1.00 0.00 N ATOM 0 H ARG A 76 -6.663 -0.602 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.472 -1.834 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.597 -0.518 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.545 -1.380 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.773 -2.316 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.055 -3.497 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.650 -2.531 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.397 -1.320 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.224 -3.921 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.671 -1.794 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.745 -2.489 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.039 -4.810 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.262 -4.190 -8.822 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.755 -4.220 -4.092 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.969 -5.631 -3.796 1.00 0.00 C ATOM 1135 C GLU A 77 -5.641 -6.343 -3.552 1.00 0.00 C ATOM 1136 O GLU A 77 -4.909 -6.652 -4.493 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.719 -6.308 -4.946 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.231 -6.249 -4.804 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.944 -6.281 -6.142 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.404 -5.716 -7.116 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -11.042 -6.872 -6.214 1.00 0.00 O ATOM 0 H GLU A 77 -6.900 -3.967 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.570 -5.699 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.432 -5.834 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.409 -7.351 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.568 -7.089 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.507 -5.339 -4.271 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.338 -6.599 -2.284 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.100 -7.274 -1.916 1.00 0.00 C ATOM 1150 C ILE A 78 -4.384 -8.584 -1.188 1.00 0.00 C ATOM 1151 O ILE A 78 -5.156 -8.618 -0.231 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.217 -6.383 -1.022 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.238 -4.939 -1.526 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.793 -6.917 -0.985 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.221 -4.048 -0.847 1.00 0.00 C ATOM 0 H ILE A 78 -5.933 -6.349 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.567 -7.485 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.617 -6.400 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.053 -4.935 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.234 -4.523 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.181 -6.277 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.795 -7.931 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.382 -6.926 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.292 -3.039 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.418 -4.022 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.219 -4.440 -1.022 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.752 -9.659 -1.648 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.936 -10.971 -1.039 1.00 0.00 C ATOM 1169 C GLU A 79 -5.413 -11.352 -1.004 1.00 0.00 C ATOM 1170 O GLU A 79 -5.860 -12.066 -0.106 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.360 -10.986 0.378 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.862 -10.734 0.429 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.523 -9.268 0.617 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.408 -8.505 1.058 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.371 -8.884 0.324 1.00 0.00 O ATOM 0 H GLU A 79 -3.109 -9.647 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.404 -11.703 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.868 -10.229 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.573 -11.951 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.428 -11.311 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.405 -11.093 -0.493 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.167 -10.870 -1.987 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.585 -11.169 -2.050 1.00 0.00 C ATOM 1184 C GLY A 80 -8.398 -10.329 -1.086 1.00 0.00 C ATOM 1185 O GLY A 80 -9.522 -10.688 -0.735 1.00 0.00 O ATOM 0 H GLY A 80 -5.820 -10.277 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.944 -11.001 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.741 -12.225 -1.828 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.829 -9.208 -0.655 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.507 -8.315 0.277 1.00 0.00 C ATOM 1191 C ARG A 81 -8.311 -6.857 -0.126 1.00 0.00 C ATOM 1192 O ARG A 81 -7.182 -6.385 -0.255 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.988 -8.538 1.699 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.389 -9.879 2.291 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.315 -9.862 3.810 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.108 -10.932 4.409 1.00 0.00 N ATOM 1197 CZ ARG A 81 -9.395 -10.998 5.704 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -8.956 -10.060 6.532 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -10.122 -12.003 6.174 1.00 0.00 N ATOM 0 H ARG A 81 -6.899 -8.896 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.573 -8.541 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.901 -8.463 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.361 -7.741 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.403 -10.128 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.735 -10.660 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.276 -9.962 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.668 -8.899 4.179 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.461 -11.669 3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.397 -9.286 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.178 -10.113 7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.462 -12.727 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.341 -12.052 7.169 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.418 -6.148 -0.322 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.367 -4.744 -0.708 1.00 0.00 C ATOM 1215 C ALA A 82 -8.872 -3.875 0.443 1.00 0.00 C ATOM 1216 O ALA A 82 -9.429 -3.906 1.541 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.738 -4.275 -1.174 1.00 0.00 C ATOM 0 H ALA A 82 -10.361 -6.523 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.661 -4.645 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.686 -3.224 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.053 -4.869 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.458 -4.396 -0.365 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.822 -3.102 0.185 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.252 -2.225 1.201 1.00 0.00 C ATOM 1225 C ILE A 83 -7.611 -0.768 0.932 1.00 0.00 C ATOM 1226 O ILE A 83 -7.428 -0.267 -0.178 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.719 -2.361 1.266 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.078 -1.757 0.016 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.323 -3.823 1.418 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.746 -0.288 0.158 1.00 0.00 C ATOM 0 H ILE A 83 -7.349 -3.065 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.676 -2.531 2.157 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.357 -1.814 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.166 -2.307 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.754 -1.889 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.237 -3.903 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.754 -4.223 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.694 -4.391 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.295 0.074 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.658 0.273 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.046 -0.151 0.982 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.120 -0.091 1.956 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.504 1.310 1.831 1.00 0.00 C ATOM 1244 C ARG A 84 -7.462 2.219 2.478 1.00 0.00 C ATOM 1245 O ARG A 84 -6.831 1.850 3.469 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.872 1.545 2.475 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.491 2.887 2.116 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.938 2.973 2.576 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.809 2.085 1.811 1.00 0.00 N ATOM 1250 CZ ARG A 84 -14.134 2.092 1.909 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.736 2.936 2.734 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -14.858 1.253 1.180 1.00 0.00 N ATOM 0 H ARG A 84 -8.276 -0.490 2.882 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.563 1.552 0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.550 0.748 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.771 1.479 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.914 3.690 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.441 3.035 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.998 2.717 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.290 4.000 2.476 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.377 1.423 1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.182 3.582 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.753 2.939 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.398 0.602 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.875 1.259 1.256 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.288 3.407 1.910 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.322 4.369 2.430 1.00 0.00 C ATOM 1268 C LEU A 85 -7.008 5.677 2.810 1.00 0.00 C ATOM 1269 O LEU A 85 -7.902 6.147 2.108 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.229 4.636 1.393 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.417 3.420 0.946 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.915 3.607 -0.477 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.253 3.178 1.896 1.00 0.00 C ATOM 0 H LEU A 85 -7.803 3.727 1.090 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.869 3.944 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.692 5.082 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.542 5.377 1.801 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.067 2.545 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.339 2.732 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.764 3.731 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.281 4.492 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.686 2.309 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.603 4.053 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.635 2.998 2.901 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.581 6.260 3.926 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.154 7.515 4.399 1.00 0.00 C ATOM 1287 C GLU A 86 -6.085 8.392 5.044 1.00 0.00 C ATOM 1288 O GLU A 86 -5.281 7.920 5.849 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.278 7.243 5.400 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.649 7.117 4.756 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.777 7.195 5.765 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.578 7.815 6.831 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.859 6.635 5.491 1.00 0.00 O ATOM 0 H GLU A 86 -5.841 5.884 4.519 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.564 8.045 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.055 6.325 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.303 8.049 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.773 7.908 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.709 6.169 4.222 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.081 9.671 4.685 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.111 10.616 5.228 1.00 0.00 C ATOM 1302 C LEU A 87 -5.240 10.717 6.744 1.00 0.00 C ATOM 1303 O LEU A 87 -6.302 11.058 7.264 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.302 11.995 4.594 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.016 12.091 3.095 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.462 13.439 2.552 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.536 11.866 2.820 1.00 0.00 C ATOM 0 H LEU A 87 -6.739 10.078 4.020 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.112 10.250 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.330 12.314 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.656 12.704 5.113 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.583 11.312 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.250 13.489 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.533 13.561 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.923 14.235 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.350 11.938 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.950 12.623 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.247 10.876 3.173 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.151 10.421 7.447 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.143 10.481 8.904 1.00 0.00 C ATOM 1321 C GLN A 88 -4.438 11.896 9.392 1.00 0.00 C ATOM 1322 O GLN A 88 -4.135 12.874 8.711 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.792 10.013 9.447 1.00 0.00 C ATOM 1324 CG GLN A 88 -2.880 9.369 10.821 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.614 9.557 11.635 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.528 10.456 12.471 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.624 8.706 11.394 1.00 0.00 N ATOM 0 H GLN A 88 -3.264 10.137 7.031 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.925 9.818 9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.356 9.300 8.748 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.115 10.865 9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.724 9.795 11.364 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.079 8.303 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.739 7.975 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.252 8.783 11.911 1.00 0.00 H new