USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 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 13 SER OG : rot 29:sc= 0.0506 USER MOD Single : A 16 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.38) USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.689 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 1.07 (180deg=0.749) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00559) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 82:sc= 0.684 USER MOD Single : A 42 GLN : amide:sc= 0.0294 K(o=0.029,f=-1.9) USER MOD Single : A 44 SER OG : rot 87:sc= 0.983 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 65:sc= -2.18 USER MOD Single : A 62 THR OG1 : rot 87:sc= 0.931 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0548) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 80:sc= 0.417 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -134:sc= -5.89! USER MOD Single : A 78 SER OG : rot 104:sc= 1.62 USER MOD Single : A 79 ASN : amide:sc= 1.04 K(o=1,f=-6!) USER MOD Single : A 87 CYS SG : rot 155:sc= -1.05 USER MOD Single : A 90 SER OG : rot 140:sc= -0.149 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.397 K(o=-0.4,f=-4.2!) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.058 K(o=-0.058,f=-0.59) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 106 ASN : amide:sc= 0.99 K(o=0.99,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.684 K(o=-0.68,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ 178:sc= 2.42 (180deg=2.37) USER MOD Single : A 112 SER OG : rot -89:sc= 0.257 USER MOD Single : A 113 SER OG : rot -170:sc= -0.355 USER MOD Single : A 116 THR OG1 : rot 176:sc= 0.43 USER MOD Single : A 118 ASN : amide:sc= 1.18 K(o=1.2,f=-0.059) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -83:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 2.809 6.195 -13.466 1.00 3.20 N ATOM 196 CA SER A 13 1.865 5.481 -12.591 1.00 72.13 C ATOM 197 C SER A 13 2.309 5.514 -11.118 1.00 52.01 C ATOM 198 O SER A 13 1.482 5.437 -10.210 1.00 2.32 O ATOM 199 CB SER A 13 1.705 4.023 -13.047 1.00 2.04 C ATOM 200 OG SER A 13 1.227 3.948 -14.381 1.00 60.12 O ATOM 0 HA SER A 13 0.907 5.995 -12.667 1.00 72.13 H new ATOM 0 HB2 SER A 13 2.664 3.510 -12.973 1.00 2.04 H new ATOM 0 HB3 SER A 13 1.014 3.506 -12.381 1.00 2.04 H new ATOM 0 HG SER A 13 1.517 4.742 -14.877 1.00 60.12 H new ATOM 206 N ALA A 14 3.614 5.623 -10.886 1.00 70.43 N ATOM 207 CA ALA A 14 4.154 5.719 -9.524 1.00 3.31 C ATOM 208 C ALA A 14 3.930 7.115 -8.925 1.00 75.35 C ATOM 209 O ALA A 14 3.454 7.247 -7.796 1.00 61.32 O ATOM 210 CB ALA A 14 5.638 5.370 -9.520 1.00 54.33 C ATOM 0 H ALA A 14 4.321 5.647 -11.621 1.00 70.43 H new ATOM 0 HA ALA A 14 3.618 5.003 -8.901 1.00 3.31 H new ATOM 0 HB1 ALA A 14 6.027 5.445 -8.504 1.00 54.33 H new ATOM 0 HB2 ALA A 14 5.773 4.352 -9.886 1.00 54.33 H new ATOM 0 HB3 ALA A 14 6.176 6.063 -10.167 1.00 54.33 H new ATOM 216 N GLU A 15 4.261 8.152 -9.694 1.00 43.01 N ATOM 217 CA GLU A 15 4.128 9.541 -9.229 1.00 61.35 C ATOM 218 C GLU A 15 2.681 9.879 -8.825 1.00 53.50 C ATOM 219 O GLU A 15 2.448 10.479 -7.773 1.00 62.11 O ATOM 220 CB GLU A 15 4.631 10.517 -10.306 1.00 40.23 C ATOM 221 CG GLU A 15 6.149 10.485 -10.501 1.00 51.14 C ATOM 222 CD GLU A 15 6.628 11.346 -11.662 1.00 21.02 C ATOM 223 OE1 GLU A 15 6.140 12.487 -11.806 1.00 4.45 O ATOM 224 OE2 GLU A 15 7.502 10.888 -12.431 1.00 63.44 O ATOM 0 H GLU A 15 4.624 8.061 -10.643 1.00 43.01 H new ATOM 0 HA GLU A 15 4.746 9.648 -8.337 1.00 61.35 H new ATOM 0 HB2 GLU A 15 4.146 10.281 -11.253 1.00 40.23 H new ATOM 0 HB3 GLU A 15 4.329 11.529 -10.037 1.00 40.23 H new ATOM 0 HG2 GLU A 15 6.633 10.822 -9.584 1.00 51.14 H new ATOM 0 HG3 GLU A 15 6.465 9.455 -10.668 1.00 51.14 H new ATOM 231 N GLN A 16 1.711 9.484 -9.653 1.00 42.34 N ATOM 232 CA GLN A 16 0.291 9.696 -9.333 1.00 51.25 C ATOM 233 C GLN A 16 -0.094 8.987 -8.018 1.00 13.33 C ATOM 234 O GLN A 16 -0.909 9.489 -7.244 1.00 1.04 O ATOM 235 CB GLN A 16 -0.608 9.201 -10.481 1.00 42.40 C ATOM 236 CG GLN A 16 -0.487 7.704 -10.752 1.00 30.25 C ATOM 237 CD GLN A 16 -1.449 7.199 -11.818 1.00 70.04 C ATOM 238 OE1 GLN A 16 -1.822 7.920 -12.735 1.00 32.42 O ATOM 239 NE2 GLN A 16 -1.853 5.947 -11.708 1.00 70.13 N ATOM 0 H GLN A 16 1.878 9.018 -10.545 1.00 42.34 H new ATOM 0 HA GLN A 16 0.138 10.768 -9.205 1.00 51.25 H new ATOM 0 HB2 GLN A 16 -1.646 9.436 -10.245 1.00 42.40 H new ATOM 0 HB3 GLN A 16 -0.356 9.747 -11.390 1.00 42.40 H new ATOM 0 HG2 GLN A 16 0.534 7.480 -11.060 1.00 30.25 H new ATOM 0 HG3 GLN A 16 -0.666 7.160 -9.825 1.00 30.25 H new ATOM 0 HE21 GLN A 16 -1.525 5.371 -10.933 1.00 70.13 H new ATOM 0 HE22 GLN A 16 -2.494 5.555 -12.398 1.00 70.13 H new ATOM 248 N THR A 17 0.512 7.823 -7.773 1.00 2.52 N ATOM 249 CA THR A 17 0.252 7.052 -6.549 1.00 10.43 C ATOM 250 C THR A 17 0.830 7.758 -5.314 1.00 74.32 C ATOM 251 O THR A 17 0.230 7.738 -4.239 1.00 40.51 O ATOM 252 CB THR A 17 0.837 5.620 -6.641 1.00 13.54 C ATOM 253 OG1 THR A 17 0.273 4.931 -7.767 1.00 34.11 O ATOM 254 CG2 THR A 17 0.560 4.820 -5.370 1.00 33.23 C ATOM 0 H THR A 17 1.187 7.391 -8.404 1.00 2.52 H new ATOM 0 HA THR A 17 -0.831 6.982 -6.447 1.00 10.43 H new ATOM 0 HB THR A 17 1.916 5.710 -6.763 1.00 13.54 H new ATOM 0 HG1 THR A 17 0.774 5.163 -8.577 1.00 34.11 H new ATOM 0 HG21 THR A 17 0.984 3.821 -5.469 1.00 33.23 H new ATOM 0 HG22 THR A 17 1.014 5.324 -4.517 1.00 33.23 H new ATOM 0 HG23 THR A 17 -0.516 4.744 -5.216 1.00 33.23 H new ATOM 262 N VAL A 18 1.993 8.392 -5.478 1.00 34.31 N ATOM 263 CA VAL A 18 2.606 9.177 -4.397 1.00 43.51 C ATOM 264 C VAL A 18 1.618 10.221 -3.852 1.00 14.51 C ATOM 265 O VAL A 18 1.249 10.199 -2.676 1.00 22.32 O ATOM 266 CB VAL A 18 3.894 9.905 -4.875 1.00 22.43 C ATOM 267 CG1 VAL A 18 4.512 10.725 -3.743 1.00 62.54 C ATOM 268 CG2 VAL A 18 4.909 8.909 -5.436 1.00 1.43 C ATOM 0 H VAL A 18 2.530 8.379 -6.345 1.00 34.31 H new ATOM 0 HA VAL A 18 2.871 8.474 -3.608 1.00 43.51 H new ATOM 0 HB VAL A 18 3.612 10.590 -5.675 1.00 22.43 H new ATOM 0 HG11 VAL A 18 5.411 11.224 -4.104 1.00 62.54 H new ATOM 0 HG12 VAL A 18 3.795 11.472 -3.401 1.00 62.54 H new ATOM 0 HG13 VAL A 18 4.771 10.065 -2.915 1.00 62.54 H new ATOM 0 HG21 VAL A 18 5.801 9.444 -5.763 1.00 1.43 H new ATOM 0 HG22 VAL A 18 5.180 8.191 -4.662 1.00 1.43 H new ATOM 0 HG23 VAL A 18 4.471 8.381 -6.283 1.00 1.43 H new ATOM 278 N THR A 19 1.177 11.123 -4.728 1.00 73.43 N ATOM 279 CA THR A 19 0.201 12.156 -4.356 1.00 44.30 C ATOM 280 C THR A 19 -1.121 11.543 -3.869 1.00 61.35 C ATOM 281 O THR A 19 -1.785 12.101 -2.997 1.00 33.10 O ATOM 282 CB THR A 19 -0.083 13.115 -5.539 1.00 54.30 C ATOM 283 OG1 THR A 19 1.138 13.747 -5.954 1.00 54.02 O ATOM 284 CG2 THR A 19 -1.104 14.188 -5.160 1.00 61.44 C ATOM 0 H THR A 19 1.478 11.162 -5.702 1.00 73.43 H new ATOM 0 HA THR A 19 0.645 12.721 -3.537 1.00 44.30 H new ATOM 0 HB THR A 19 -0.497 12.524 -6.356 1.00 54.30 H new ATOM 0 HG1 THR A 19 0.955 14.351 -6.703 1.00 54.02 H new ATOM 0 HG21 THR A 19 -1.278 14.842 -6.014 1.00 61.44 H new ATOM 0 HG22 THR A 19 -2.041 13.712 -4.870 1.00 61.44 H new ATOM 0 HG23 THR A 19 -0.722 14.775 -4.325 1.00 61.44 H new ATOM 292 N TRP A 20 -1.491 10.389 -4.428 1.00 53.03 N ATOM 293 CA TRP A 20 -2.711 9.683 -4.015 1.00 1.11 C ATOM 294 C TRP A 20 -2.641 9.254 -2.535 1.00 51.31 C ATOM 295 O TRP A 20 -3.612 9.396 -1.790 1.00 71.53 O ATOM 296 CB TRP A 20 -2.948 8.464 -4.919 1.00 33.14 C ATOM 297 CG TRP A 20 -4.171 7.664 -4.563 1.00 71.35 C ATOM 298 CD1 TRP A 20 -5.445 8.134 -4.400 1.00 23.43 C ATOM 299 CD2 TRP A 20 -4.232 6.252 -4.340 1.00 60.22 C ATOM 300 NE1 TRP A 20 -6.290 7.099 -4.079 1.00 55.24 N ATOM 301 CE2 TRP A 20 -5.569 5.935 -4.037 1.00 61.22 C ATOM 302 CE3 TRP A 20 -3.283 5.224 -4.364 1.00 52.14 C ATOM 303 CZ2 TRP A 20 -5.981 4.634 -3.762 1.00 55.23 C ATOM 304 CZ3 TRP A 20 -3.694 3.935 -4.090 1.00 42.10 C ATOM 305 CH2 TRP A 20 -5.032 3.650 -3.795 1.00 53.23 C ATOM 0 H TRP A 20 -0.966 9.922 -5.167 1.00 53.03 H new ATOM 0 HA TRP A 20 -3.550 10.370 -4.119 1.00 1.11 H new ATOM 0 HB2 TRP A 20 -3.036 8.802 -5.951 1.00 33.14 H new ATOM 0 HB3 TRP A 20 -2.075 7.814 -4.870 1.00 33.14 H new ATOM 0 HD1 TRP A 20 -5.743 9.166 -4.508 1.00 23.43 H new ATOM 0 HE1 TRP A 20 -7.291 7.184 -3.901 1.00 55.24 H new ATOM 0 HE3 TRP A 20 -2.249 5.435 -4.593 1.00 52.14 H new ATOM 0 HZ2 TRP A 20 -7.012 4.410 -3.531 1.00 55.23 H new ATOM 0 HZ3 TRP A 20 -2.971 3.133 -4.104 1.00 42.10 H new ATOM 0 HH2 TRP A 20 -5.322 2.630 -3.589 1.00 53.23 H new ATOM 316 N LEU A 21 -1.487 8.743 -2.113 1.00 71.24 N ATOM 317 CA LEU A 21 -1.278 8.362 -0.709 1.00 64.01 C ATOM 318 C LEU A 21 -1.269 9.599 0.207 1.00 43.55 C ATOM 319 O LEU A 21 -1.814 9.575 1.315 1.00 42.11 O ATOM 320 CB LEU A 21 0.039 7.584 -0.557 1.00 14.42 C ATOM 321 CG LEU A 21 0.122 6.269 -1.349 1.00 33.33 C ATOM 322 CD1 LEU A 21 1.477 5.600 -1.138 1.00 10.05 C ATOM 323 CD2 LEU A 21 -1.016 5.329 -0.955 1.00 14.35 C ATOM 0 H LEU A 21 -0.681 8.582 -2.717 1.00 71.24 H new ATOM 0 HA LEU A 21 -2.107 7.721 -0.408 1.00 64.01 H new ATOM 0 HB2 LEU A 21 0.861 8.229 -0.869 1.00 14.42 H new ATOM 0 HB3 LEU A 21 0.191 7.363 0.499 1.00 14.42 H new ATOM 0 HG LEU A 21 0.018 6.500 -2.409 1.00 33.33 H new ATOM 0 HD11 LEU A 21 1.516 4.671 -1.707 1.00 10.05 H new ATOM 0 HD12 LEU A 21 2.269 6.267 -1.478 1.00 10.05 H new ATOM 0 HD13 LEU A 21 1.615 5.383 -0.079 1.00 10.05 H new ATOM 0 HD21 LEU A 21 -0.939 4.404 -1.527 1.00 14.35 H new ATOM 0 HD22 LEU A 21 -0.950 5.104 0.109 1.00 14.35 H new ATOM 0 HD23 LEU A 21 -1.973 5.807 -1.166 1.00 14.35 H new ATOM 335 N ILE A 22 -0.656 10.679 -0.270 1.00 21.35 N ATOM 336 CA ILE A 22 -0.587 11.937 0.484 1.00 73.13 C ATOM 337 C ILE A 22 -1.979 12.575 0.657 1.00 14.21 C ATOM 338 O ILE A 22 -2.357 12.977 1.757 1.00 64.31 O ATOM 339 CB ILE A 22 0.354 12.951 -0.216 1.00 12.25 C ATOM 340 CG1 ILE A 22 1.761 12.348 -0.384 1.00 12.51 C ATOM 341 CG2 ILE A 22 0.424 14.264 0.567 1.00 4.52 C ATOM 342 CD1 ILE A 22 2.700 13.204 -1.206 1.00 74.33 C ATOM 0 H ILE A 22 -0.196 10.712 -1.180 1.00 21.35 H new ATOM 0 HA ILE A 22 -0.190 11.693 1.469 1.00 73.13 H new ATOM 0 HB ILE A 22 -0.053 13.168 -1.203 1.00 12.25 H new ATOM 0 HG12 ILE A 22 2.198 12.190 0.602 1.00 12.51 H new ATOM 0 HG13 ILE A 22 1.672 11.369 -0.854 1.00 12.51 H new ATOM 0 HG21 ILE A 22 1.091 14.958 0.055 1.00 4.52 H new ATOM 0 HG22 ILE A 22 -0.572 14.701 0.635 1.00 4.52 H new ATOM 0 HG23 ILE A 22 0.804 14.070 1.570 1.00 4.52 H new ATOM 0 HD11 ILE A 22 3.670 12.713 -1.279 1.00 74.33 H new ATOM 0 HD12 ILE A 22 2.287 13.341 -2.205 1.00 74.33 H new ATOM 0 HD13 ILE A 22 2.821 14.175 -0.727 1.00 74.33 H new ATOM 354 N THR A 23 -2.745 12.648 -0.434 1.00 20.30 N ATOM 355 CA THR A 23 -4.080 13.274 -0.407 1.00 40.43 C ATOM 356 C THR A 23 -5.061 12.495 0.485 1.00 72.22 C ATOM 357 O THR A 23 -6.064 13.044 0.941 1.00 52.30 O ATOM 358 CB THR A 23 -4.687 13.409 -1.830 1.00 13.40 C ATOM 359 OG1 THR A 23 -5.866 14.231 -1.802 1.00 43.01 O ATOM 360 CG2 THR A 23 -5.045 12.049 -2.416 1.00 10.21 C ATOM 0 H THR A 23 -2.470 12.284 -1.346 1.00 20.30 H new ATOM 0 HA THR A 23 -3.934 14.270 0.011 1.00 40.43 H new ATOM 0 HB THR A 23 -3.929 13.875 -2.459 1.00 13.40 H new ATOM 0 HG1 THR A 23 -6.234 14.306 -2.707 1.00 43.01 H new ATOM 0 HG21 THR A 23 -5.467 12.182 -3.412 1.00 10.21 H new ATOM 0 HG22 THR A 23 -4.148 11.433 -2.481 1.00 10.21 H new ATOM 0 HG23 THR A 23 -5.777 11.558 -1.775 1.00 10.21 H new ATOM 368 N LEU A 24 -4.771 11.214 0.719 1.00 41.34 N ATOM 369 CA LEU A 24 -5.584 10.375 1.614 1.00 13.31 C ATOM 370 C LEU A 24 -5.092 10.446 3.068 1.00 73.11 C ATOM 371 O LEU A 24 -5.677 9.830 3.959 1.00 72.53 O ATOM 372 CB LEU A 24 -5.576 8.918 1.126 1.00 12.13 C ATOM 373 CG LEU A 24 -6.407 8.648 -0.141 1.00 41.13 C ATOM 374 CD1 LEU A 24 -6.217 7.213 -0.621 1.00 51.23 C ATOM 375 CD2 LEU A 24 -7.885 8.933 0.118 1.00 42.35 C ATOM 0 H LEU A 24 -3.977 10.729 0.301 1.00 41.34 H new ATOM 0 HA LEU A 24 -6.603 10.760 1.590 1.00 13.31 H new ATOM 0 HB2 LEU A 24 -4.545 8.621 0.935 1.00 12.13 H new ATOM 0 HB3 LEU A 24 -5.948 8.281 1.928 1.00 12.13 H new ATOM 0 HG LEU A 24 -6.056 9.318 -0.926 1.00 41.13 H new ATOM 0 HD11 LEU A 24 -6.814 7.047 -1.517 1.00 51.23 H new ATOM 0 HD12 LEU A 24 -5.165 7.042 -0.849 1.00 51.23 H new ATOM 0 HD13 LEU A 24 -6.536 6.523 0.160 1.00 51.23 H new ATOM 0 HD21 LEU A 24 -8.458 8.737 -0.788 1.00 42.35 H new ATOM 0 HD22 LEU A 24 -8.244 8.289 0.921 1.00 42.35 H new ATOM 0 HD23 LEU A 24 -8.009 9.977 0.407 1.00 42.35 H new ATOM 387 N GLY A 25 -4.009 11.187 3.298 1.00 20.31 N ATOM 388 CA GLY A 25 -3.480 11.362 4.646 1.00 52.31 C ATOM 389 C GLY A 25 -2.889 10.090 5.251 1.00 24.14 C ATOM 390 O GLY A 25 -2.651 10.025 6.460 1.00 34.12 O ATOM 0 H GLY A 25 -3.484 11.673 2.571 1.00 20.31 H new ATOM 0 HA2 GLY A 25 -2.711 12.134 4.626 1.00 52.31 H new ATOM 0 HA3 GLY A 25 -4.278 11.724 5.294 1.00 52.31 H new ATOM 394 N VAL A 26 -2.649 9.074 4.419 1.00 64.40 N ATOM 395 CA VAL A 26 -2.056 7.814 4.891 1.00 2.03 C ATOM 396 C VAL A 26 -0.523 7.886 4.887 1.00 63.31 C ATOM 397 O VAL A 26 0.151 7.214 5.674 1.00 14.44 O ATOM 398 CB VAL A 26 -2.520 6.609 4.032 1.00 61.33 C ATOM 399 CG1 VAL A 26 -4.042 6.518 4.018 1.00 13.14 C ATOM 400 CG2 VAL A 26 -1.966 6.692 2.608 1.00 41.04 C ATOM 0 H VAL A 26 -2.854 9.095 3.420 1.00 64.40 H new ATOM 0 HA VAL A 26 -2.402 7.666 5.914 1.00 2.03 H new ATOM 0 HB VAL A 26 -2.123 5.701 4.486 1.00 61.33 H new ATOM 0 HG11 VAL A 26 -4.350 5.667 3.411 1.00 13.14 H new ATOM 0 HG12 VAL A 26 -4.408 6.388 5.036 1.00 13.14 H new ATOM 0 HG13 VAL A 26 -4.457 7.434 3.597 1.00 13.14 H new ATOM 0 HG21 VAL A 26 -2.310 5.832 2.033 1.00 41.04 H new ATOM 0 HG22 VAL A 26 -2.316 7.609 2.134 1.00 41.04 H new ATOM 0 HG23 VAL A 26 -0.877 6.694 2.641 1.00 41.04 H new ATOM 410 N LEU A 27 0.015 8.711 3.992 1.00 25.35 N ATOM 411 CA LEU A 27 1.458 8.921 3.884 1.00 31.52 C ATOM 412 C LEU A 27 1.779 10.421 3.929 1.00 1.14 C ATOM 413 O LEU A 27 1.078 11.232 3.323 1.00 20.54 O ATOM 414 CB LEU A 27 1.988 8.298 2.584 1.00 11.02 C ATOM 415 CG LEU A 27 3.509 8.381 2.382 1.00 3.33 C ATOM 416 CD1 LEU A 27 4.245 7.683 3.522 1.00 13.02 C ATOM 417 CD2 LEU A 27 3.905 7.782 1.034 1.00 0.41 C ATOM 0 H LEU A 27 -0.534 9.251 3.323 1.00 25.35 H new ATOM 0 HA LEU A 27 1.949 8.435 4.727 1.00 31.52 H new ATOM 0 HB2 LEU A 27 1.692 7.249 2.558 1.00 11.02 H new ATOM 0 HB3 LEU A 27 1.500 8.788 1.742 1.00 11.02 H new ATOM 0 HG LEU A 27 3.798 9.432 2.387 1.00 3.33 H new ATOM 0 HD11 LEU A 27 5.320 7.754 3.358 1.00 13.02 H new ATOM 0 HD12 LEU A 27 3.989 8.162 4.467 1.00 13.02 H new ATOM 0 HD13 LEU A 27 3.952 6.634 3.556 1.00 13.02 H new ATOM 0 HD21 LEU A 27 4.986 7.850 0.909 1.00 0.41 H new ATOM 0 HD22 LEU A 27 3.600 6.736 0.997 1.00 0.41 H new ATOM 0 HD23 LEU A 27 3.412 8.332 0.232 1.00 0.41 H new ATOM 429 N GLU A 28 2.832 10.781 4.656 1.00 4.24 N ATOM 430 CA GLU A 28 3.210 12.190 4.832 1.00 62.35 C ATOM 431 C GLU A 28 3.793 12.804 3.546 1.00 63.35 C ATOM 432 O GLU A 28 4.269 12.092 2.658 1.00 34.21 O ATOM 433 CB GLU A 28 4.222 12.317 5.981 1.00 63.41 C ATOM 434 CG GLU A 28 5.499 11.504 5.779 1.00 73.31 C ATOM 435 CD GLU A 28 6.477 11.655 6.933 1.00 3.03 C ATOM 436 OE1 GLU A 28 7.317 12.579 6.894 1.00 63.21 O ATOM 437 OE2 GLU A 28 6.403 10.856 7.895 1.00 45.31 O ATOM 0 H GLU A 28 3.443 10.120 5.136 1.00 4.24 H new ATOM 0 HA GLU A 28 2.303 12.745 5.073 1.00 62.35 H new ATOM 0 HB2 GLU A 28 4.488 13.367 6.102 1.00 63.41 H new ATOM 0 HB3 GLU A 28 3.745 12.000 6.908 1.00 63.41 H new ATOM 0 HG2 GLU A 28 5.241 10.452 5.662 1.00 73.31 H new ATOM 0 HG3 GLU A 28 5.983 11.818 4.854 1.00 73.31 H new ATOM 444 N SER A 29 3.745 14.134 3.459 1.00 30.22 N ATOM 445 CA SER A 29 4.307 14.866 2.313 1.00 11.44 C ATOM 446 C SER A 29 5.828 14.655 2.210 1.00 14.15 C ATOM 447 O SER A 29 6.509 14.505 3.228 1.00 14.32 O ATOM 448 CB SER A 29 3.990 16.367 2.442 1.00 11.45 C ATOM 449 OG SER A 29 4.515 17.112 1.349 1.00 40.43 O ATOM 0 H SER A 29 3.322 14.732 4.169 1.00 30.22 H new ATOM 0 HA SER A 29 3.849 14.477 1.403 1.00 11.44 H new ATOM 0 HB2 SER A 29 2.910 16.508 2.493 1.00 11.45 H new ATOM 0 HB3 SER A 29 4.406 16.748 3.375 1.00 11.45 H new ATOM 0 HG SER A 29 4.294 18.060 1.463 1.00 40.43 H new ATOM 455 N PRO A 30 6.386 14.629 0.978 1.00 22.02 N ATOM 456 CA PRO A 30 7.830 14.435 0.758 1.00 52.11 C ATOM 457 C PRO A 30 8.699 15.394 1.590 1.00 41.22 C ATOM 458 O PRO A 30 8.439 16.598 1.650 1.00 70.20 O ATOM 459 CB PRO A 30 8.011 14.708 -0.751 1.00 33.41 C ATOM 460 CG PRO A 30 6.729 15.339 -1.196 1.00 61.31 C ATOM 461 CD PRO A 30 5.668 14.780 -0.293 1.00 65.22 C ATOM 0 HA PRO A 30 8.149 13.439 1.065 1.00 52.11 H new ATOM 0 HB2 PRO A 30 8.858 15.369 -0.932 1.00 33.41 H new ATOM 0 HB3 PRO A 30 8.205 13.785 -1.297 1.00 33.41 H new ATOM 0 HG2 PRO A 30 6.779 16.425 -1.117 1.00 61.31 H new ATOM 0 HG3 PRO A 30 6.519 15.105 -2.240 1.00 61.31 H new ATOM 0 HD2 PRO A 30 4.816 15.454 -0.201 1.00 65.22 H new ATOM 0 HD3 PRO A 30 5.283 13.828 -0.658 1.00 65.22 H new ATOM 469 N LYS A 31 9.736 14.849 2.224 1.00 75.33 N ATOM 470 CA LYS A 31 10.639 15.643 3.064 1.00 30.25 C ATOM 471 C LYS A 31 11.482 16.607 2.208 1.00 61.41 C ATOM 472 O LYS A 31 11.901 17.669 2.669 1.00 63.22 O ATOM 473 CB LYS A 31 11.549 14.709 3.877 1.00 22.22 C ATOM 474 CG LYS A 31 12.087 15.333 5.161 1.00 31.52 C ATOM 475 CD LYS A 31 10.956 15.702 6.125 1.00 14.43 C ATOM 476 CE LYS A 31 10.108 14.490 6.510 1.00 1.22 C ATOM 477 NZ LYS A 31 8.943 14.864 7.356 1.00 23.21 N ATOM 0 H LYS A 31 9.974 13.859 2.173 1.00 75.33 H new ATOM 0 HA LYS A 31 10.040 16.242 3.750 1.00 30.25 H new ATOM 0 HB2 LYS A 31 10.994 13.806 4.129 1.00 22.22 H new ATOM 0 HB3 LYS A 31 12.389 14.403 3.254 1.00 22.22 H new ATOM 0 HG2 LYS A 31 12.768 14.635 5.648 1.00 31.52 H new ATOM 0 HG3 LYS A 31 12.665 16.225 4.919 1.00 31.52 H new ATOM 0 HD2 LYS A 31 11.379 16.148 7.025 1.00 14.43 H new ATOM 0 HD3 LYS A 31 10.319 16.457 5.664 1.00 14.43 H new ATOM 0 HE2 LYS A 31 9.754 13.995 5.606 1.00 1.22 H new ATOM 0 HE3 LYS A 31 10.728 13.771 7.046 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 8.220 14.118 7.301 1.00 23.21 H new ATOM 0 HZ2 LYS A 31 9.252 14.975 8.343 1.00 23.21 H new ATOM 0 HZ3 LYS A 31 8.541 15.761 7.016 1.00 23.21 H new ATOM 491 N LYS A 32 11.714 16.219 0.957 1.00 14.53 N ATOM 492 CA LYS A 32 12.439 17.051 -0.010 1.00 64.50 C ATOM 493 C LYS A 32 12.004 16.694 -1.441 1.00 71.02 C ATOM 494 O LYS A 32 11.157 15.819 -1.633 1.00 42.12 O ATOM 495 CB LYS A 32 13.961 16.877 0.149 1.00 1.52 C ATOM 496 CG LYS A 32 14.476 15.471 -0.166 1.00 45.13 C ATOM 497 CD LYS A 32 15.984 15.364 0.073 1.00 60.02 C ATOM 498 CE LYS A 32 16.533 13.976 -0.256 1.00 42.41 C ATOM 499 NZ LYS A 32 16.498 13.684 -1.715 1.00 22.45 N ATOM 0 H LYS A 32 11.407 15.322 0.582 1.00 14.53 H new ATOM 0 HA LYS A 32 12.197 18.096 0.183 1.00 64.50 H new ATOM 0 HB2 LYS A 32 14.465 17.590 -0.504 1.00 1.52 H new ATOM 0 HB3 LYS A 32 14.238 17.131 1.172 1.00 1.52 H new ATOM 0 HG2 LYS A 32 13.955 14.743 0.455 1.00 45.13 H new ATOM 0 HG3 LYS A 32 14.252 15.223 -1.204 1.00 45.13 H new ATOM 0 HD2 LYS A 32 16.498 16.108 -0.535 1.00 60.02 H new ATOM 0 HD3 LYS A 32 16.201 15.599 1.115 1.00 60.02 H new ATOM 0 HE2 LYS A 32 17.559 13.900 0.103 1.00 42.41 H new ATOM 0 HE3 LYS A 32 15.952 13.223 0.277 1.00 42.41 H new ATOM 0 HZ1 LYS A 32 16.911 12.746 -1.891 1.00 22.45 H new ATOM 0 HZ2 LYS A 32 15.513 13.696 -2.048 1.00 22.45 H new ATOM 0 HZ3 LYS A 32 17.045 14.405 -2.227 1.00 22.45 H new ATOM 513 N THR A 33 12.572 17.376 -2.436 1.00 73.32 N ATOM 514 CA THR A 33 12.266 17.089 -3.848 1.00 14.23 C ATOM 515 C THR A 33 12.453 15.598 -4.168 1.00 73.12 C ATOM 516 O THR A 33 13.552 15.058 -4.038 1.00 35.12 O ATOM 517 CB THR A 33 13.156 17.930 -4.798 1.00 14.54 C ATOM 518 OG1 THR A 33 12.998 19.328 -4.505 1.00 63.24 O ATOM 519 CG2 THR A 33 12.801 17.675 -6.261 1.00 44.42 C ATOM 0 H THR A 33 13.245 18.130 -2.297 1.00 73.32 H new ATOM 0 HA THR A 33 11.222 17.358 -4.007 1.00 14.23 H new ATOM 0 HB THR A 33 14.192 17.633 -4.638 1.00 14.54 H new ATOM 0 HG1 THR A 33 13.564 19.854 -5.107 1.00 63.24 H new ATOM 0 HG21 THR A 33 13.443 18.280 -6.902 1.00 44.42 H new ATOM 0 HG22 THR A 33 12.947 16.620 -6.492 1.00 44.42 H new ATOM 0 HG23 THR A 33 11.759 17.943 -6.435 1.00 44.42 H new ATOM 527 N ILE A 34 11.374 14.937 -4.579 1.00 23.30 N ATOM 528 CA ILE A 34 11.398 13.488 -4.822 1.00 45.50 C ATOM 529 C ILE A 34 12.266 13.119 -6.036 1.00 52.01 C ATOM 530 O ILE A 34 11.888 13.362 -7.184 1.00 15.43 O ATOM 531 CB ILE A 34 9.967 12.928 -5.028 1.00 23.22 C ATOM 532 CG1 ILE A 34 9.100 13.228 -3.794 1.00 34.11 C ATOM 533 CG2 ILE A 34 10.009 11.422 -5.310 1.00 43.24 C ATOM 534 CD1 ILE A 34 7.679 12.720 -3.904 1.00 15.54 C ATOM 0 H ILE A 34 10.470 15.377 -4.752 1.00 23.30 H new ATOM 0 HA ILE A 34 11.838 13.036 -3.933 1.00 45.50 H new ATOM 0 HB ILE A 34 9.522 13.419 -5.893 1.00 23.22 H new ATOM 0 HG12 ILE A 34 9.568 12.782 -2.916 1.00 34.11 H new ATOM 0 HG13 ILE A 34 9.078 14.305 -3.631 1.00 34.11 H new ATOM 0 HG21 ILE A 34 8.994 11.050 -5.451 1.00 43.24 H new ATOM 0 HG22 ILE A 34 10.592 11.237 -6.212 1.00 43.24 H new ATOM 0 HG23 ILE A 34 10.470 10.907 -4.467 1.00 43.24 H new ATOM 0 HD11 ILE A 34 7.132 12.970 -2.995 1.00 15.54 H new ATOM 0 HD12 ILE A 34 7.192 13.185 -4.761 1.00 15.54 H new ATOM 0 HD13 ILE A 34 7.689 11.638 -4.035 1.00 15.54 H new ATOM 546 N SER A 35 13.437 12.545 -5.770 1.00 71.33 N ATOM 547 CA SER A 35 14.324 12.053 -6.835 1.00 41.41 C ATOM 548 C SER A 35 13.857 10.690 -7.365 1.00 4.54 C ATOM 549 O SER A 35 13.890 10.433 -8.570 1.00 50.23 O ATOM 550 CB SER A 35 15.766 11.930 -6.323 1.00 43.52 C ATOM 551 OG SER A 35 15.863 10.976 -5.268 1.00 13.13 O ATOM 0 H SER A 35 13.799 12.406 -4.826 1.00 71.33 H new ATOM 0 HA SER A 35 14.287 12.777 -7.649 1.00 41.41 H new ATOM 0 HB2 SER A 35 16.421 11.636 -7.143 1.00 43.52 H new ATOM 0 HB3 SER A 35 16.113 12.901 -5.970 1.00 43.52 H new ATOM 0 HG SER A 35 15.917 10.074 -5.647 1.00 13.13 H new ATOM 557 N ASP A 36 13.427 9.819 -6.449 1.00 51.22 N ATOM 558 CA ASP A 36 12.970 8.468 -6.799 1.00 10.01 C ATOM 559 C ASP A 36 11.501 8.248 -6.385 1.00 53.22 C ATOM 560 O ASP A 36 11.216 7.984 -5.217 1.00 72.42 O ATOM 561 CB ASP A 36 13.859 7.419 -6.116 1.00 35.53 C ATOM 562 CG ASP A 36 15.318 7.559 -6.505 1.00 12.34 C ATOM 563 OD1 ASP A 36 15.689 7.093 -7.602 1.00 40.20 O ATOM 564 OD2 ASP A 36 16.101 8.139 -5.717 1.00 14.45 O ATOM 0 H ASP A 36 13.385 10.026 -5.451 1.00 51.22 H new ATOM 0 HA ASP A 36 13.041 8.361 -7.881 1.00 10.01 H new ATOM 0 HB2 ASP A 36 13.763 7.514 -5.034 1.00 35.53 H new ATOM 0 HB3 ASP A 36 13.509 6.421 -6.381 1.00 35.53 H new ATOM 569 N PRO A 37 10.546 8.360 -7.334 1.00 10.53 N ATOM 570 CA PRO A 37 9.112 8.178 -7.037 1.00 3.42 C ATOM 571 C PRO A 37 8.760 6.730 -6.647 1.00 24.20 C ATOM 572 O PRO A 37 8.037 6.496 -5.674 1.00 63.31 O ATOM 573 CB PRO A 37 8.417 8.579 -8.349 1.00 74.33 C ATOM 574 CG PRO A 37 9.450 8.382 -9.409 1.00 71.55 C ATOM 575 CD PRO A 37 10.779 8.679 -8.758 1.00 20.24 C ATOM 0 HA PRO A 37 8.800 8.773 -6.179 1.00 3.42 H new ATOM 0 HB2 PRO A 37 7.538 7.962 -8.535 1.00 74.33 H new ATOM 0 HB3 PRO A 37 8.078 9.614 -8.316 1.00 74.33 H new ATOM 0 HG2 PRO A 37 9.424 7.363 -9.794 1.00 71.55 H new ATOM 0 HG3 PRO A 37 9.273 9.047 -10.254 1.00 71.55 H new ATOM 0 HD2 PRO A 37 11.578 8.069 -9.180 1.00 20.24 H new ATOM 0 HD3 PRO A 37 11.068 9.721 -8.894 1.00 20.24 H new ATOM 583 N GLU A 38 9.283 5.759 -7.399 1.00 65.42 N ATOM 584 CA GLU A 38 9.028 4.339 -7.118 1.00 30.23 C ATOM 585 C GLU A 38 9.737 3.904 -5.828 1.00 71.30 C ATOM 586 O GLU A 38 9.162 3.200 -4.993 1.00 72.43 O ATOM 587 CB GLU A 38 9.491 3.472 -8.298 1.00 3.04 C ATOM 588 CG GLU A 38 8.805 3.820 -9.617 1.00 50.12 C ATOM 589 CD GLU A 38 9.262 2.948 -10.778 1.00 3.22 C ATOM 590 OE1 GLU A 38 10.310 3.258 -11.385 1.00 11.41 O ATOM 591 OE2 GLU A 38 8.580 1.951 -11.090 1.00 3.20 O ATOM 0 H GLU A 38 9.884 5.926 -8.206 1.00 65.42 H new ATOM 0 HA GLU A 38 7.955 4.204 -6.982 1.00 30.23 H new ATOM 0 HB2 GLU A 38 10.569 3.582 -8.418 1.00 3.04 H new ATOM 0 HB3 GLU A 38 9.302 2.424 -8.065 1.00 3.04 H new ATOM 0 HG2 GLU A 38 7.727 3.718 -9.496 1.00 50.12 H new ATOM 0 HG3 GLU A 38 9.001 4.865 -9.857 1.00 50.12 H new ATOM 598 N GLY A 39 10.988 4.339 -5.672 1.00 74.41 N ATOM 599 CA GLY A 39 11.738 4.058 -4.451 1.00 3.31 C ATOM 600 C GLY A 39 11.086 4.655 -3.206 1.00 32.13 C ATOM 601 O GLY A 39 11.055 4.022 -2.147 1.00 13.43 O ATOM 0 H GLY A 39 11.498 4.882 -6.369 1.00 74.41 H new ATOM 0 HA2 GLY A 39 11.829 2.979 -4.326 1.00 3.31 H new ATOM 0 HA3 GLY A 39 12.749 4.454 -4.552 1.00 3.31 H new ATOM 605 N PHE A 40 10.568 5.876 -3.336 1.00 43.32 N ATOM 606 CA PHE A 40 9.850 6.542 -2.242 1.00 41.10 C ATOM 607 C PHE A 40 8.652 5.700 -1.773 1.00 51.12 C ATOM 608 O PHE A 40 8.445 5.509 -0.574 1.00 15.04 O ATOM 609 CB PHE A 40 9.377 7.933 -2.696 1.00 74.32 C ATOM 610 CG PHE A 40 8.605 8.700 -1.645 1.00 45.23 C ATOM 611 CD1 PHE A 40 9.264 9.305 -0.582 1.00 73.44 C ATOM 612 CD2 PHE A 40 7.223 8.823 -1.725 1.00 41.22 C ATOM 613 CE1 PHE A 40 8.561 10.011 0.378 1.00 4.31 C ATOM 614 CE2 PHE A 40 6.517 9.528 -0.766 1.00 63.35 C ATOM 615 CZ PHE A 40 7.187 10.123 0.286 1.00 31.35 C ATOM 0 H PHE A 40 10.631 6.429 -4.191 1.00 43.32 H new ATOM 0 HA PHE A 40 10.534 6.653 -1.401 1.00 41.10 H new ATOM 0 HB2 PHE A 40 10.246 8.520 -2.993 1.00 74.32 H new ATOM 0 HB3 PHE A 40 8.750 7.820 -3.581 1.00 74.32 H new ATOM 0 HD1 PHE A 40 10.338 9.223 -0.504 1.00 73.44 H new ATOM 0 HD2 PHE A 40 6.693 8.363 -2.546 1.00 41.22 H new ATOM 0 HE1 PHE A 40 9.087 10.475 1.200 1.00 4.31 H new ATOM 0 HE2 PHE A 40 5.443 9.613 -0.840 1.00 63.35 H new ATOM 0 HZ PHE A 40 6.638 10.674 1.035 1.00 31.35 H new ATOM 625 N LEU A 41 7.873 5.195 -2.727 1.00 20.51 N ATOM 626 CA LEU A 41 6.717 4.347 -2.415 1.00 61.30 C ATOM 627 C LEU A 41 7.140 3.043 -1.723 1.00 31.02 C ATOM 628 O LEU A 41 6.652 2.723 -0.643 1.00 45.14 O ATOM 629 CB LEU A 41 5.930 4.027 -3.694 1.00 64.31 C ATOM 630 CG LEU A 41 5.269 5.234 -4.380 1.00 71.01 C ATOM 631 CD1 LEU A 41 4.567 4.811 -5.667 1.00 34.41 C ATOM 632 CD2 LEU A 41 4.290 5.924 -3.431 1.00 21.34 C ATOM 0 H LEU A 41 8.018 5.356 -3.724 1.00 20.51 H new ATOM 0 HA LEU A 41 6.080 4.902 -1.727 1.00 61.30 H new ATOM 0 HB2 LEU A 41 6.604 3.550 -4.406 1.00 64.31 H new ATOM 0 HB3 LEU A 41 5.156 3.299 -3.452 1.00 64.31 H new ATOM 0 HG LEU A 41 6.052 5.946 -4.641 1.00 71.01 H new ATOM 0 HD11 LEU A 41 4.107 5.682 -6.134 1.00 34.41 H new ATOM 0 HD12 LEU A 41 5.294 4.374 -6.351 1.00 34.41 H new ATOM 0 HD13 LEU A 41 3.797 4.074 -5.436 1.00 34.41 H new ATOM 0 HD21 LEU A 41 3.833 6.775 -3.936 1.00 21.34 H new ATOM 0 HD22 LEU A 41 3.514 5.219 -3.133 1.00 21.34 H new ATOM 0 HD23 LEU A 41 4.824 6.270 -2.546 1.00 21.34 H new ATOM 644 N GLN A 42 8.056 2.301 -2.347 1.00 12.51 N ATOM 645 CA GLN A 42 8.515 1.011 -1.812 1.00 24.32 C ATOM 646 C GLN A 42 8.977 1.135 -0.348 1.00 23.32 C ATOM 647 O GLN A 42 8.501 0.409 0.526 1.00 24.51 O ATOM 648 CB GLN A 42 9.644 0.451 -2.698 1.00 71.11 C ATOM 649 CG GLN A 42 10.134 -0.950 -2.307 1.00 40.23 C ATOM 650 CD GLN A 42 11.158 -0.949 -1.177 1.00 53.11 C ATOM 651 OE1 GLN A 42 11.942 -0.017 -1.032 1.00 40.01 O ATOM 652 NE2 GLN A 42 11.157 -1.991 -0.367 1.00 44.41 N ATOM 0 H GLN A 42 8.498 2.569 -3.226 1.00 12.51 H new ATOM 0 HA GLN A 42 7.674 0.317 -1.825 1.00 24.32 H new ATOM 0 HB2 GLN A 42 9.297 0.424 -3.731 1.00 71.11 H new ATOM 0 HB3 GLN A 42 10.489 1.139 -2.664 1.00 71.11 H new ATOM 0 HG2 GLN A 42 9.277 -1.554 -2.008 1.00 40.23 H new ATOM 0 HG3 GLN A 42 10.573 -1.429 -3.182 1.00 40.23 H new ATOM 0 HE21 GLN A 42 10.492 -2.751 -0.514 1.00 44.41 H new ATOM 0 HE22 GLN A 42 11.821 -2.037 0.406 1.00 44.41 H new ATOM 661 N ALA A 43 9.888 2.069 -0.087 1.00 34.41 N ATOM 662 CA ALA A 43 10.425 2.272 1.266 1.00 32.34 C ATOM 663 C ALA A 43 9.329 2.660 2.275 1.00 34.33 C ATOM 664 O ALA A 43 9.334 2.207 3.421 1.00 60.34 O ATOM 665 CB ALA A 43 11.518 3.335 1.239 1.00 31.21 C ATOM 0 H ALA A 43 10.273 2.699 -0.790 1.00 34.41 H new ATOM 0 HA ALA A 43 10.847 1.323 1.597 1.00 32.34 H new ATOM 0 HB1 ALA A 43 11.910 3.479 2.246 1.00 31.21 H new ATOM 0 HB2 ALA A 43 12.323 3.013 0.579 1.00 31.21 H new ATOM 0 HB3 ALA A 43 11.103 4.274 0.873 1.00 31.21 H new ATOM 671 N SER A 44 8.389 3.495 1.837 1.00 74.31 N ATOM 672 CA SER A 44 7.317 3.996 2.716 1.00 21.44 C ATOM 673 C SER A 44 6.202 2.960 2.933 1.00 11.44 C ATOM 674 O SER A 44 5.526 2.976 3.957 1.00 63.10 O ATOM 675 CB SER A 44 6.713 5.283 2.138 1.00 44.43 C ATOM 676 OG SER A 44 7.698 6.295 1.986 1.00 71.31 O ATOM 0 H SER A 44 8.342 3.843 0.879 1.00 74.31 H new ATOM 0 HA SER A 44 7.773 4.200 3.685 1.00 21.44 H new ATOM 0 HB2 SER A 44 6.256 5.070 1.172 1.00 44.43 H new ATOM 0 HB3 SER A 44 5.920 5.641 2.794 1.00 44.43 H new ATOM 0 HG SER A 44 8.133 6.200 1.113 1.00 71.31 H new ATOM 682 N LEU A 45 6.003 2.072 1.960 1.00 31.51 N ATOM 683 CA LEU A 45 4.955 1.040 2.049 1.00 60.35 C ATOM 684 C LEU A 45 5.499 -0.280 2.619 1.00 52.31 C ATOM 685 O LEU A 45 4.730 -1.191 2.933 1.00 11.42 O ATOM 686 CB LEU A 45 4.347 0.789 0.663 1.00 23.33 C ATOM 687 CG LEU A 45 3.676 2.007 0.000 1.00 63.44 C ATOM 688 CD1 LEU A 45 3.165 1.650 -1.395 1.00 33.34 C ATOM 689 CD2 LEU A 45 2.543 2.540 0.871 1.00 1.33 C ATOM 0 H LEU A 45 6.550 2.041 1.099 1.00 31.51 H new ATOM 0 HA LEU A 45 4.188 1.409 2.729 1.00 60.35 H new ATOM 0 HB2 LEU A 45 5.133 0.425 0.002 1.00 23.33 H new ATOM 0 HB3 LEU A 45 3.609 -0.008 0.749 1.00 23.33 H new ATOM 0 HG LEU A 45 4.424 2.793 -0.103 1.00 63.44 H new ATOM 0 HD11 LEU A 45 2.695 2.524 -1.845 1.00 33.34 H new ATOM 0 HD12 LEU A 45 4.000 1.327 -2.017 1.00 33.34 H new ATOM 0 HD13 LEU A 45 2.435 0.844 -1.320 1.00 33.34 H new ATOM 0 HD21 LEU A 45 2.083 3.400 0.384 1.00 1.33 H new ATOM 0 HD22 LEU A 45 1.795 1.760 1.012 1.00 1.33 H new ATOM 0 HD23 LEU A 45 2.940 2.842 1.840 1.00 1.33 H new ATOM 701 N LYS A 46 6.821 -0.369 2.749 1.00 4.45 N ATOM 702 CA LYS A 46 7.495 -1.586 3.223 1.00 53.55 C ATOM 703 C LYS A 46 6.901 -2.108 4.545 1.00 10.11 C ATOM 704 O LYS A 46 6.681 -3.308 4.703 1.00 32.53 O ATOM 705 CB LYS A 46 8.999 -1.308 3.392 1.00 42.24 C ATOM 706 CG LYS A 46 9.826 -2.537 3.759 1.00 31.33 C ATOM 707 CD LYS A 46 11.319 -2.218 3.830 1.00 74.55 C ATOM 708 CE LYS A 46 12.149 -3.455 4.164 1.00 31.22 C ATOM 709 NZ LYS A 46 13.607 -3.173 4.145 1.00 14.45 N ATOM 0 H LYS A 46 7.458 0.397 2.530 1.00 4.45 H new ATOM 0 HA LYS A 46 7.341 -2.363 2.474 1.00 53.55 H new ATOM 0 HB2 LYS A 46 9.386 -0.888 2.464 1.00 42.24 H new ATOM 0 HB3 LYS A 46 9.132 -0.551 4.164 1.00 42.24 H new ATOM 0 HG2 LYS A 46 9.492 -2.926 4.721 1.00 31.33 H new ATOM 0 HG3 LYS A 46 9.657 -3.322 3.022 1.00 31.33 H new ATOM 0 HD2 LYS A 46 11.648 -1.806 2.876 1.00 74.55 H new ATOM 0 HD3 LYS A 46 11.491 -1.451 4.585 1.00 74.55 H new ATOM 0 HE2 LYS A 46 11.865 -3.826 5.149 1.00 31.22 H new ATOM 0 HE3 LYS A 46 11.924 -4.246 3.448 1.00 31.22 H new ATOM 0 HZ1 LYS A 46 14.131 -4.041 4.377 1.00 14.45 H new ATOM 0 HZ2 LYS A 46 13.885 -2.844 3.198 1.00 14.45 H new ATOM 0 HZ3 LYS A 46 13.827 -2.437 4.846 1.00 14.45 H new ATOM 723 N ASP A 47 6.628 -1.197 5.480 1.00 62.21 N ATOM 724 CA ASP A 47 6.113 -1.569 6.808 1.00 75.24 C ATOM 725 C ASP A 47 4.671 -2.118 6.762 1.00 64.33 C ATOM 726 O ASP A 47 4.203 -2.741 7.722 1.00 62.41 O ATOM 727 CB ASP A 47 6.192 -0.365 7.755 1.00 14.43 C ATOM 728 CG ASP A 47 5.577 0.887 7.158 1.00 51.35 C ATOM 729 OD1 ASP A 47 4.342 1.063 7.262 1.00 5.30 O ATOM 730 OD2 ASP A 47 6.331 1.701 6.579 1.00 11.35 O ATOM 0 H ASP A 47 6.754 -0.194 5.346 1.00 62.21 H new ATOM 0 HA ASP A 47 6.744 -2.376 7.180 1.00 75.24 H new ATOM 0 HB2 ASP A 47 5.682 -0.607 8.688 1.00 14.43 H new ATOM 0 HB3 ASP A 47 7.235 -0.170 8.003 1.00 14.43 H new ATOM 735 N GLY A 48 3.965 -1.871 5.660 1.00 24.42 N ATOM 736 CA GLY A 48 2.600 -2.372 5.506 1.00 34.44 C ATOM 737 C GLY A 48 1.544 -1.535 6.230 1.00 32.41 C ATOM 738 O GLY A 48 0.385 -1.497 5.813 1.00 5.21 O ATOM 0 H GLY A 48 4.312 -1.332 4.867 1.00 24.42 H new ATOM 0 HA2 GLY A 48 2.355 -2.408 4.445 1.00 34.44 H new ATOM 0 HA3 GLY A 48 2.555 -3.395 5.878 1.00 34.44 H new ATOM 742 N VAL A 49 1.942 -0.855 7.308 1.00 24.12 N ATOM 743 CA VAL A 49 1.011 -0.044 8.105 1.00 31.23 C ATOM 744 C VAL A 49 0.336 1.036 7.245 1.00 71.32 C ATOM 745 O VAL A 49 -0.874 1.265 7.347 1.00 64.11 O ATOM 746 CB VAL A 49 1.727 0.625 9.309 1.00 62.42 C ATOM 747 CG1 VAL A 49 0.733 1.401 10.177 1.00 11.03 C ATOM 748 CG2 VAL A 49 2.478 -0.419 10.138 1.00 33.11 C ATOM 0 H VAL A 49 2.903 -0.848 7.651 1.00 24.12 H new ATOM 0 HA VAL A 49 0.247 -0.722 8.485 1.00 31.23 H new ATOM 0 HB VAL A 49 2.454 1.337 8.918 1.00 62.42 H new ATOM 0 HG11 VAL A 49 1.261 1.860 11.013 1.00 11.03 H new ATOM 0 HG12 VAL A 49 0.257 2.178 9.579 1.00 11.03 H new ATOM 0 HG13 VAL A 49 -0.027 0.719 10.558 1.00 11.03 H new ATOM 0 HG21 VAL A 49 2.973 0.070 10.977 1.00 33.11 H new ATOM 0 HG22 VAL A 49 1.773 -1.160 10.515 1.00 33.11 H new ATOM 0 HG23 VAL A 49 3.224 -0.912 9.514 1.00 33.11 H new ATOM 758 N VAL A 50 1.121 1.691 6.389 1.00 4.11 N ATOM 759 CA VAL A 50 0.585 2.695 5.458 1.00 13.42 C ATOM 760 C VAL A 50 -0.475 2.079 4.524 1.00 50.21 C ATOM 761 O VAL A 50 -1.475 2.720 4.191 1.00 25.22 O ATOM 762 CB VAL A 50 1.712 3.345 4.613 1.00 13.44 C ATOM 763 CG1 VAL A 50 1.152 4.427 3.687 1.00 73.54 C ATOM 764 CG2 VAL A 50 2.798 3.923 5.521 1.00 63.04 C ATOM 0 H VAL A 50 2.128 1.548 6.318 1.00 4.11 H new ATOM 0 HA VAL A 50 0.114 3.470 6.063 1.00 13.42 H new ATOM 0 HB VAL A 50 2.158 2.569 3.991 1.00 13.44 H new ATOM 0 HG11 VAL A 50 1.964 4.865 3.107 1.00 73.54 H new ATOM 0 HG12 VAL A 50 0.421 3.984 3.011 1.00 73.54 H new ATOM 0 HG13 VAL A 50 0.672 5.203 4.283 1.00 73.54 H new ATOM 0 HG21 VAL A 50 3.580 4.375 4.911 1.00 63.04 H new ATOM 0 HG22 VAL A 50 2.362 4.681 6.172 1.00 63.04 H new ATOM 0 HG23 VAL A 50 3.227 3.126 6.128 1.00 63.04 H new ATOM 774 N LEU A 51 -0.259 0.824 4.125 1.00 11.04 N ATOM 775 CA LEU A 51 -1.222 0.093 3.289 1.00 5.50 C ATOM 776 C LEU A 51 -2.535 -0.145 4.047 1.00 43.44 C ATOM 777 O LEU A 51 -3.622 0.038 3.502 1.00 33.22 O ATOM 778 CB LEU A 51 -0.634 -1.254 2.845 1.00 44.03 C ATOM 779 CG LEU A 51 0.602 -1.173 1.935 1.00 60.31 C ATOM 780 CD1 LEU A 51 1.147 -2.569 1.647 1.00 3.33 C ATOM 781 CD2 LEU A 51 0.268 -0.446 0.633 1.00 52.14 C ATOM 0 H LEU A 51 0.575 0.289 4.366 1.00 11.04 H new ATOM 0 HA LEU A 51 -1.430 0.702 2.409 1.00 5.50 H new ATOM 0 HB2 LEU A 51 -0.371 -1.826 3.735 1.00 44.03 H new ATOM 0 HB3 LEU A 51 -1.410 -1.815 2.324 1.00 44.03 H new ATOM 0 HG LEU A 51 1.373 -0.604 2.455 1.00 60.31 H new ATOM 0 HD11 LEU A 51 2.022 -2.492 1.001 1.00 3.33 H new ATOM 0 HD12 LEU A 51 1.429 -3.050 2.584 1.00 3.33 H new ATOM 0 HD13 LEU A 51 0.380 -3.163 1.150 1.00 3.33 H new ATOM 0 HD21 LEU A 51 1.157 -0.400 0.004 1.00 52.14 H new ATOM 0 HD22 LEU A 51 -0.521 -0.984 0.108 1.00 52.14 H new ATOM 0 HD23 LEU A 51 -0.070 0.566 0.858 1.00 52.14 H new ATOM 793 N CYS A 52 -2.424 -0.557 5.308 1.00 35.13 N ATOM 794 CA CYS A 52 -3.599 -0.760 6.163 1.00 51.22 C ATOM 795 C CYS A 52 -4.405 0.538 6.312 1.00 13.13 C ATOM 796 O CYS A 52 -5.635 0.527 6.249 1.00 2.13 O ATOM 797 CB CYS A 52 -3.171 -1.281 7.537 1.00 45.44 C ATOM 798 SG CYS A 52 -2.265 -2.843 7.473 1.00 32.45 S ATOM 0 H CYS A 52 -1.534 -0.758 5.764 1.00 35.13 H new ATOM 0 HA CYS A 52 -4.240 -1.502 5.688 1.00 51.22 H new ATOM 0 HB2 CYS A 52 -2.548 -0.530 8.022 1.00 45.44 H new ATOM 0 HB3 CYS A 52 -4.057 -1.411 8.159 1.00 45.44 H new ATOM 0 HG CYS A 52 -1.133 -2.663 6.860 1.00 32.45 H new ATOM 804 N ARG A 53 -3.702 1.654 6.507 1.00 4.14 N ATOM 805 CA ARG A 53 -4.338 2.980 6.521 1.00 61.22 C ATOM 806 C ARG A 53 -5.078 3.235 5.199 1.00 53.42 C ATOM 807 O ARG A 53 -6.237 3.654 5.183 1.00 74.51 O ATOM 808 CB ARG A 53 -3.285 4.079 6.716 1.00 42.04 C ATOM 809 CG ARG A 53 -2.475 3.960 8.001 1.00 54.03 C ATOM 810 CD ARG A 53 -1.374 5.014 8.056 1.00 42.13 C ATOM 811 NE ARG A 53 -0.574 4.926 9.274 1.00 44.34 N ATOM 812 CZ ARG A 53 0.560 5.549 9.449 1.00 32.43 C ATOM 813 NH1 ARG A 53 1.052 6.297 8.510 1.00 13.12 N ATOM 814 NH2 ARG A 53 1.195 5.439 10.571 1.00 63.22 N ATOM 0 H ARG A 53 -2.693 1.671 6.658 1.00 4.14 H new ATOM 0 HA ARG A 53 -5.047 3.002 7.348 1.00 61.22 H new ATOM 0 HB2 ARG A 53 -2.601 4.063 5.868 1.00 42.04 H new ATOM 0 HB3 ARG A 53 -3.784 5.048 6.705 1.00 42.04 H new ATOM 0 HG2 ARG A 53 -3.134 4.073 8.862 1.00 54.03 H new ATOM 0 HG3 ARG A 53 -2.034 2.965 8.066 1.00 54.03 H new ATOM 0 HD2 ARG A 53 -0.723 4.900 7.189 1.00 42.13 H new ATOM 0 HD3 ARG A 53 -1.822 6.006 7.990 1.00 42.13 H new ATOM 0 HE ARG A 53 -0.922 4.342 10.035 1.00 44.34 H new ATOM 0 HH11 ARG A 53 0.552 6.402 7.627 1.00 13.12 H new ATOM 0 HH12 ARG A 53 1.938 6.780 8.655 1.00 13.12 H new ATOM 0 HH21 ARG A 53 0.810 4.865 11.321 1.00 63.22 H new ATOM 0 HH22 ARG A 53 2.081 5.927 10.706 1.00 63.22 H new ATOM 828 N LEU A 54 -4.376 2.979 4.096 1.00 11.24 N ATOM 829 CA LEU A 54 -4.917 3.156 2.745 1.00 33.33 C ATOM 830 C LEU A 54 -6.243 2.401 2.561 1.00 65.41 C ATOM 831 O LEU A 54 -7.246 2.981 2.141 1.00 13.31 O ATOM 832 CB LEU A 54 -3.881 2.670 1.719 1.00 42.21 C ATOM 833 CG LEU A 54 -4.294 2.774 0.242 1.00 20.31 C ATOM 834 CD1 LEU A 54 -4.569 4.224 -0.144 1.00 64.31 C ATOM 835 CD2 LEU A 54 -3.221 2.169 -0.661 1.00 40.12 C ATOM 0 H LEU A 54 -3.413 2.642 4.112 1.00 11.24 H new ATOM 0 HA LEU A 54 -5.123 4.215 2.592 1.00 33.33 H new ATOM 0 HB2 LEU A 54 -2.964 3.242 1.860 1.00 42.21 H new ATOM 0 HB3 LEU A 54 -3.644 1.629 1.937 1.00 42.21 H new ATOM 0 HG LEU A 54 -5.215 2.207 0.106 1.00 20.31 H new ATOM 0 HD11 LEU A 54 -4.859 4.272 -1.193 1.00 64.31 H new ATOM 0 HD12 LEU A 54 -5.375 4.618 0.474 1.00 64.31 H new ATOM 0 HD13 LEU A 54 -3.669 4.819 0.011 1.00 64.31 H new ATOM 0 HD21 LEU A 54 -3.532 2.252 -1.702 1.00 40.12 H new ATOM 0 HD22 LEU A 54 -2.282 2.704 -0.519 1.00 40.12 H new ATOM 0 HD23 LEU A 54 -3.082 1.118 -0.407 1.00 40.12 H new ATOM 847 N LEU A 55 -6.244 1.113 2.893 1.00 0.01 N ATOM 848 CA LEU A 55 -7.437 0.277 2.729 1.00 53.33 C ATOM 849 C LEU A 55 -8.589 0.741 3.639 1.00 61.33 C ATOM 850 O LEU A 55 -9.753 0.629 3.271 1.00 2.40 O ATOM 851 CB LEU A 55 -7.099 -1.197 3.000 1.00 52.53 C ATOM 852 CG LEU A 55 -8.207 -2.206 2.644 1.00 4.35 C ATOM 853 CD1 LEU A 55 -8.620 -2.068 1.180 1.00 2.44 C ATOM 854 CD2 LEU A 55 -7.752 -3.634 2.939 1.00 44.02 C ATOM 0 H LEU A 55 -5.436 0.623 3.277 1.00 0.01 H new ATOM 0 HA LEU A 55 -7.772 0.380 1.697 1.00 53.33 H new ATOM 0 HB2 LEU A 55 -6.202 -1.455 2.438 1.00 52.53 H new ATOM 0 HB3 LEU A 55 -6.856 -1.308 4.057 1.00 52.53 H new ATOM 0 HG LEU A 55 -9.075 -1.986 3.265 1.00 4.35 H new ATOM 0 HD11 LEU A 55 -9.403 -2.791 0.953 1.00 2.44 H new ATOM 0 HD12 LEU A 55 -8.994 -1.060 1.001 1.00 2.44 H new ATOM 0 HD13 LEU A 55 -7.758 -2.254 0.540 1.00 2.44 H new ATOM 0 HD21 LEU A 55 -8.549 -4.331 2.680 1.00 44.02 H new ATOM 0 HD22 LEU A 55 -6.865 -3.863 2.348 1.00 44.02 H new ATOM 0 HD23 LEU A 55 -7.517 -3.729 3.999 1.00 44.02 H new ATOM 866 N GLU A 56 -8.264 1.268 4.818 1.00 55.53 N ATOM 867 CA GLU A 56 -9.283 1.804 5.734 1.00 72.43 C ATOM 868 C GLU A 56 -9.903 3.110 5.205 1.00 22.45 C ATOM 869 O GLU A 56 -11.096 3.361 5.396 1.00 23.31 O ATOM 870 CB GLU A 56 -8.684 2.033 7.129 1.00 52.12 C ATOM 871 CG GLU A 56 -8.474 0.754 7.931 1.00 10.03 C ATOM 872 CD GLU A 56 -9.784 0.063 8.289 1.00 33.50 C ATOM 873 OE1 GLU A 56 -10.463 0.524 9.235 1.00 22.35 O ATOM 874 OE2 GLU A 56 -10.146 -0.930 7.628 1.00 22.21 O ATOM 0 H GLU A 56 -7.308 1.338 5.166 1.00 55.53 H new ATOM 0 HA GLU A 56 -10.079 1.063 5.801 1.00 72.43 H new ATOM 0 HB2 GLU A 56 -7.727 2.544 7.023 1.00 52.12 H new ATOM 0 HB3 GLU A 56 -9.340 2.698 7.690 1.00 52.12 H new ATOM 0 HG2 GLU A 56 -7.851 0.068 7.357 1.00 10.03 H new ATOM 0 HG3 GLU A 56 -7.930 0.989 8.846 1.00 10.03 H new ATOM 881 N ARG A 57 -9.095 3.946 4.551 1.00 43.43 N ATOM 882 CA ARG A 57 -9.594 5.196 3.955 1.00 53.05 C ATOM 883 C ARG A 57 -10.630 4.918 2.855 1.00 40.52 C ATOM 884 O ARG A 57 -11.559 5.698 2.648 1.00 63.42 O ATOM 885 CB ARG A 57 -8.436 6.014 3.365 1.00 62.13 C ATOM 886 CG ARG A 57 -7.416 6.503 4.391 1.00 2.34 C ATOM 887 CD ARG A 57 -7.985 7.567 5.328 1.00 75.03 C ATOM 888 NE ARG A 57 -6.966 8.071 6.251 1.00 14.41 N ATOM 889 CZ ARG A 57 -7.016 9.234 6.849 1.00 53.55 C ATOM 890 NH1 ARG A 57 -8.007 10.043 6.656 1.00 42.21 N ATOM 891 NH2 ARG A 57 -6.064 9.585 7.651 1.00 42.34 N ATOM 0 H ARG A 57 -8.096 3.786 4.418 1.00 43.43 H new ATOM 0 HA ARG A 57 -10.074 5.766 4.751 1.00 53.05 H new ATOM 0 HB2 ARG A 57 -7.921 5.406 2.621 1.00 62.13 H new ATOM 0 HB3 ARG A 57 -8.848 6.877 2.842 1.00 62.13 H new ATOM 0 HG2 ARG A 57 -7.065 5.656 4.980 1.00 2.34 H new ATOM 0 HG3 ARG A 57 -6.549 6.910 3.870 1.00 2.34 H new ATOM 0 HD2 ARG A 57 -8.386 8.393 4.741 1.00 75.03 H new ATOM 0 HD3 ARG A 57 -8.815 7.147 5.896 1.00 75.03 H new ATOM 0 HE ARG A 57 -6.161 7.474 6.441 1.00 14.41 H new ATOM 0 HH11 ARG A 57 -8.767 9.778 6.029 1.00 42.21 H new ATOM 0 HH12 ARG A 57 -8.029 10.945 7.131 1.00 42.21 H new ATOM 0 HH21 ARG A 57 -5.278 8.956 7.815 1.00 42.34 H new ATOM 0 HH22 ARG A 57 -6.099 10.491 8.119 1.00 42.34 H new ATOM 905 N LEU A 58 -10.459 3.800 2.156 1.00 11.10 N ATOM 906 CA LEU A 58 -11.331 3.434 1.036 1.00 22.24 C ATOM 907 C LEU A 58 -12.460 2.490 1.486 1.00 60.31 C ATOM 908 O LEU A 58 -13.635 2.725 1.208 1.00 73.15 O ATOM 909 CB LEU A 58 -10.484 2.774 -0.060 1.00 40.01 C ATOM 910 CG LEU A 58 -9.254 3.593 -0.506 1.00 1.44 C ATOM 911 CD1 LEU A 58 -8.415 2.816 -1.514 1.00 52.04 C ATOM 912 CD2 LEU A 58 -9.680 4.940 -1.084 1.00 33.43 C ATOM 0 H LEU A 58 -9.719 3.124 2.345 1.00 11.10 H new ATOM 0 HA LEU A 58 -11.801 4.337 0.647 1.00 22.24 H new ATOM 0 HB2 LEU A 58 -10.146 1.801 0.298 1.00 40.01 H new ATOM 0 HB3 LEU A 58 -11.117 2.592 -0.929 1.00 40.01 H new ATOM 0 HG LEU A 58 -8.638 3.778 0.374 1.00 1.44 H new ATOM 0 HD11 LEU A 58 -7.555 3.416 -1.811 1.00 52.04 H new ATOM 0 HD12 LEU A 58 -8.070 1.887 -1.061 1.00 52.04 H new ATOM 0 HD13 LEU A 58 -9.020 2.588 -2.392 1.00 52.04 H new ATOM 0 HD21 LEU A 58 -8.797 5.500 -1.391 1.00 33.43 H new ATOM 0 HD22 LEU A 58 -10.325 4.778 -1.947 1.00 33.43 H new ATOM 0 HD23 LEU A 58 -10.223 5.506 -0.327 1.00 33.43 H new ATOM 924 N LEU A 59 -12.084 1.417 2.178 1.00 51.41 N ATOM 925 CA LEU A 59 -13.040 0.445 2.725 1.00 31.34 C ATOM 926 C LEU A 59 -12.945 0.396 4.266 1.00 50.43 C ATOM 927 O LEU A 59 -12.207 -0.417 4.826 1.00 40.33 O ATOM 928 CB LEU A 59 -12.770 -0.948 2.133 1.00 64.02 C ATOM 929 CG LEU A 59 -12.841 -1.041 0.599 1.00 24.42 C ATOM 930 CD1 LEU A 59 -12.397 -2.420 0.120 1.00 55.42 C ATOM 931 CD2 LEU A 59 -14.252 -0.726 0.100 1.00 42.24 C ATOM 0 H LEU A 59 -11.109 1.193 2.378 1.00 51.41 H new ATOM 0 HA LEU A 59 -14.048 0.758 2.452 1.00 31.34 H new ATOM 0 HB2 LEU A 59 -11.781 -1.274 2.454 1.00 64.02 H new ATOM 0 HB3 LEU A 59 -13.490 -1.649 2.556 1.00 64.02 H new ATOM 0 HG LEU A 59 -12.159 -0.299 0.183 1.00 24.42 H new ATOM 0 HD11 LEU A 59 -12.455 -2.464 -0.968 1.00 55.42 H new ATOM 0 HD12 LEU A 59 -11.370 -2.602 0.436 1.00 55.42 H new ATOM 0 HD13 LEU A 59 -13.049 -3.181 0.549 1.00 55.42 H new ATOM 0 HD21 LEU A 59 -14.278 -0.798 -0.987 1.00 42.24 H new ATOM 0 HD22 LEU A 59 -14.957 -1.439 0.528 1.00 42.24 H new ATOM 0 HD23 LEU A 59 -14.528 0.284 0.403 1.00 42.24 H new ATOM 943 N PRO A 60 -13.684 1.279 4.972 1.00 10.41 N ATOM 944 CA PRO A 60 -13.616 1.387 6.446 1.00 4.22 C ATOM 945 C PRO A 60 -14.058 0.105 7.181 1.00 60.21 C ATOM 946 O PRO A 60 -15.177 -0.381 6.993 1.00 42.44 O ATOM 947 CB PRO A 60 -14.578 2.547 6.771 1.00 63.42 C ATOM 948 CG PRO A 60 -14.753 3.282 5.483 1.00 54.21 C ATOM 949 CD PRO A 60 -14.637 2.246 4.400 1.00 14.41 C ATOM 0 HA PRO A 60 -12.590 1.550 6.777 1.00 4.22 H new ATOM 0 HB2 PRO A 60 -15.532 2.175 7.145 1.00 63.42 H new ATOM 0 HB3 PRO A 60 -14.165 3.197 7.542 1.00 63.42 H new ATOM 0 HG2 PRO A 60 -15.722 3.780 5.446 1.00 54.21 H new ATOM 0 HG3 PRO A 60 -13.993 4.055 5.368 1.00 54.21 H new ATOM 0 HD2 PRO A 60 -15.599 1.783 4.179 1.00 14.41 H new ATOM 0 HD3 PRO A 60 -14.268 2.675 3.468 1.00 14.41 H new ATOM 957 N GLY A 61 -13.176 -0.437 8.025 1.00 13.23 N ATOM 958 CA GLY A 61 -13.520 -1.612 8.825 1.00 21.23 C ATOM 959 C GLY A 61 -13.095 -2.933 8.188 1.00 65.20 C ATOM 960 O GLY A 61 -13.635 -3.992 8.517 1.00 32.34 O ATOM 0 H GLY A 61 -12.230 -0.085 8.170 1.00 13.23 H new ATOM 0 HA2 GLY A 61 -13.051 -1.524 9.805 1.00 21.23 H new ATOM 0 HA3 GLY A 61 -14.598 -1.627 8.988 1.00 21.23 H new ATOM 964 N THR A 62 -12.126 -2.877 7.280 1.00 64.44 N ATOM 965 CA THR A 62 -11.618 -4.086 6.616 1.00 42.53 C ATOM 966 C THR A 62 -10.403 -4.659 7.361 1.00 4.54 C ATOM 967 O THR A 62 -10.324 -5.867 7.610 1.00 54.12 O ATOM 968 CB THR A 62 -11.228 -3.808 5.142 1.00 72.41 C ATOM 969 OG1 THR A 62 -12.342 -3.237 4.437 1.00 4.32 O ATOM 970 CG2 THR A 62 -10.790 -5.088 4.434 1.00 54.15 C ATOM 0 H THR A 62 -11.674 -2.012 6.983 1.00 64.44 H new ATOM 0 HA THR A 62 -12.427 -4.816 6.633 1.00 42.53 H new ATOM 0 HB THR A 62 -10.393 -3.108 5.146 1.00 72.41 H new ATOM 0 HG1 THR A 62 -12.334 -2.263 4.547 1.00 4.32 H new ATOM 0 HG21 THR A 62 -10.523 -4.860 3.402 1.00 54.15 H new ATOM 0 HG22 THR A 62 -9.926 -5.510 4.947 1.00 54.15 H new ATOM 0 HG23 THR A 62 -11.608 -5.809 4.446 1.00 54.15 H new ATOM 978 N ILE A 63 -9.464 -3.783 7.727 1.00 11.31 N ATOM 979 CA ILE A 63 -8.263 -4.187 8.468 1.00 42.31 C ATOM 980 C ILE A 63 -8.620 -4.578 9.913 1.00 11.33 C ATOM 981 O ILE A 63 -8.933 -3.715 10.740 1.00 75.22 O ATOM 982 CB ILE A 63 -7.210 -3.045 8.493 1.00 73.54 C ATOM 983 CG1 ILE A 63 -6.885 -2.566 7.068 1.00 70.54 C ATOM 984 CG2 ILE A 63 -5.939 -3.495 9.217 1.00 42.23 C ATOM 985 CD1 ILE A 63 -6.261 -3.623 6.182 1.00 3.12 C ATOM 0 H ILE A 63 -9.511 -2.785 7.522 1.00 11.31 H new ATOM 0 HA ILE A 63 -7.838 -5.050 7.954 1.00 42.31 H new ATOM 0 HB ILE A 63 -7.636 -2.205 9.042 1.00 73.54 H new ATOM 0 HG12 ILE A 63 -7.802 -2.211 6.599 1.00 70.54 H new ATOM 0 HG13 ILE A 63 -6.208 -1.714 7.129 1.00 70.54 H new ATOM 0 HG21 ILE A 63 -5.215 -2.680 9.223 1.00 42.23 H new ATOM 0 HG22 ILE A 63 -6.183 -3.771 10.243 1.00 42.23 H new ATOM 0 HG23 ILE A 63 -5.512 -4.355 8.702 1.00 42.23 H new ATOM 0 HD11 ILE A 63 -6.064 -3.202 5.196 1.00 3.12 H new ATOM 0 HD12 ILE A 63 -5.325 -3.963 6.625 1.00 3.12 H new ATOM 0 HD13 ILE A 63 -6.944 -4.467 6.086 1.00 3.12 H new ATOM 997 N GLU A 64 -8.566 -5.871 10.220 1.00 64.21 N ATOM 998 CA GLU A 64 -9.005 -6.369 11.529 1.00 14.43 C ATOM 999 C GLU A 64 -7.864 -6.372 12.562 1.00 13.23 C ATOM 1000 O GLU A 64 -8.078 -6.062 13.736 1.00 35.43 O ATOM 1001 CB GLU A 64 -9.608 -7.776 11.393 1.00 44.03 C ATOM 1002 CG GLU A 64 -10.282 -8.270 12.666 1.00 35.25 C ATOM 1003 CD GLU A 64 -10.948 -9.625 12.505 1.00 52.53 C ATOM 1004 OE1 GLU A 64 -10.283 -10.651 12.750 1.00 53.43 O ATOM 1005 OE2 GLU A 64 -12.144 -9.669 12.149 1.00 65.22 O ATOM 0 H GLU A 64 -8.225 -6.594 9.586 1.00 64.21 H new ATOM 0 HA GLU A 64 -9.771 -5.685 11.895 1.00 14.43 H new ATOM 0 HB2 GLU A 64 -10.336 -7.774 10.582 1.00 44.03 H new ATOM 0 HB3 GLU A 64 -8.820 -8.475 11.113 1.00 44.03 H new ATOM 0 HG2 GLU A 64 -9.540 -8.330 13.462 1.00 35.25 H new ATOM 0 HG3 GLU A 64 -11.029 -7.541 12.980 1.00 35.25 H new ATOM 1012 N LYS A 65 -6.653 -6.713 12.129 1.00 10.54 N ATOM 1013 CA LYS A 65 -5.487 -6.717 13.026 1.00 5.43 C ATOM 1014 C LYS A 65 -4.207 -6.310 12.281 1.00 3.34 C ATOM 1015 O LYS A 65 -3.673 -7.074 11.476 1.00 25.10 O ATOM 1016 CB LYS A 65 -5.302 -8.103 13.668 1.00 20.22 C ATOM 1017 CG LYS A 65 -4.106 -8.200 14.620 1.00 1.51 C ATOM 1018 CD LYS A 65 -4.271 -7.306 15.849 1.00 21.42 C ATOM 1019 CE LYS A 65 -3.032 -7.325 16.741 1.00 31.44 C ATOM 1020 NZ LYS A 65 -2.733 -8.682 17.273 1.00 44.10 N ATOM 0 H LYS A 65 -6.448 -6.990 11.169 1.00 10.54 H new ATOM 0 HA LYS A 65 -5.673 -5.984 13.811 1.00 5.43 H new ATOM 0 HB2 LYS A 65 -6.209 -8.362 14.215 1.00 20.22 H new ATOM 0 HB3 LYS A 65 -5.184 -8.844 12.878 1.00 20.22 H new ATOM 0 HG2 LYS A 65 -3.982 -9.235 14.940 1.00 1.51 H new ATOM 0 HG3 LYS A 65 -3.197 -7.919 14.088 1.00 1.51 H new ATOM 0 HD2 LYS A 65 -4.472 -6.284 15.529 1.00 21.42 H new ATOM 0 HD3 LYS A 65 -5.136 -7.636 16.424 1.00 21.42 H new ATOM 0 HE2 LYS A 65 -2.174 -6.964 16.174 1.00 31.44 H new ATOM 0 HE3 LYS A 65 -3.177 -6.636 17.573 1.00 31.44 H new ATOM 0 HZ1 LYS A 65 -1.947 -8.624 17.951 1.00 44.10 H new ATOM 0 HZ2 LYS A 65 -3.575 -9.061 17.751 1.00 44.10 H new ATOM 0 HZ3 LYS A 65 -2.468 -9.312 16.489 1.00 44.10 H new ATOM 1034 N VAL A 66 -3.729 -5.099 12.552 1.00 73.14 N ATOM 1035 CA VAL A 66 -2.480 -4.602 11.968 1.00 44.15 C ATOM 1036 C VAL A 66 -1.433 -4.352 13.061 1.00 11.13 C ATOM 1037 O VAL A 66 -1.774 -3.999 14.193 1.00 13.25 O ATOM 1038 CB VAL A 66 -2.708 -3.291 11.169 1.00 10.43 C ATOM 1039 CG1 VAL A 66 -3.260 -2.190 12.074 1.00 32.43 C ATOM 1040 CG2 VAL A 66 -1.418 -2.830 10.486 1.00 50.24 C ATOM 0 H VAL A 66 -4.189 -4.437 13.177 1.00 73.14 H new ATOM 0 HA VAL A 66 -2.117 -5.369 11.284 1.00 44.15 H new ATOM 0 HB VAL A 66 -3.445 -3.499 10.394 1.00 10.43 H new ATOM 0 HG11 VAL A 66 -3.411 -1.282 11.491 1.00 32.43 H new ATOM 0 HG12 VAL A 66 -4.211 -2.511 12.499 1.00 32.43 H new ATOM 0 HG13 VAL A 66 -2.552 -1.991 12.878 1.00 32.43 H new ATOM 0 HG21 VAL A 66 -1.608 -1.910 9.934 1.00 50.24 H new ATOM 0 HG22 VAL A 66 -0.652 -2.650 11.240 1.00 50.24 H new ATOM 0 HG23 VAL A 66 -1.075 -3.602 9.797 1.00 50.24 H new ATOM 1050 N TYR A 67 -0.164 -4.553 12.730 1.00 32.53 N ATOM 1051 CA TYR A 67 0.930 -4.279 13.664 1.00 52.41 C ATOM 1052 C TYR A 67 1.518 -2.882 13.410 1.00 65.32 C ATOM 1053 O TYR A 67 2.331 -2.700 12.501 1.00 14.53 O ATOM 1054 CB TYR A 67 2.021 -5.352 13.532 1.00 11.14 C ATOM 1055 CG TYR A 67 1.481 -6.770 13.621 1.00 74.30 C ATOM 1056 CD1 TYR A 67 0.776 -7.198 14.742 1.00 41.15 C ATOM 1057 CD2 TYR A 67 1.661 -7.675 12.580 1.00 30.22 C ATOM 1058 CE1 TYR A 67 0.270 -8.482 14.821 1.00 72.43 C ATOM 1059 CE2 TYR A 67 1.157 -8.960 12.653 1.00 13.52 C ATOM 1060 CZ TYR A 67 0.465 -9.359 13.774 1.00 71.04 C ATOM 1061 OH TYR A 67 -0.039 -10.639 13.853 1.00 4.41 O ATOM 0 H TYR A 67 0.137 -4.905 11.821 1.00 32.53 H new ATOM 0 HA TYR A 67 0.535 -4.306 14.680 1.00 52.41 H new ATOM 0 HB2 TYR A 67 2.533 -5.225 12.578 1.00 11.14 H new ATOM 0 HB3 TYR A 67 2.764 -5.203 14.315 1.00 11.14 H new ATOM 0 HD1 TYR A 67 0.622 -6.515 15.564 1.00 41.15 H new ATOM 0 HD2 TYR A 67 2.204 -7.368 11.699 1.00 30.22 H new ATOM 0 HE1 TYR A 67 -0.275 -8.797 15.698 1.00 72.43 H new ATOM 0 HE2 TYR A 67 1.306 -9.648 11.834 1.00 13.52 H new ATOM 0 HH TYR A 67 0.183 -11.129 13.034 1.00 4.41 H new ATOM 1071 N PRO A 68 1.114 -1.870 14.213 1.00 62.34 N ATOM 1072 CA PRO A 68 1.543 -0.470 14.012 1.00 54.24 C ATOM 1073 C PRO A 68 3.056 -0.274 14.196 1.00 2.13 C ATOM 1074 O PRO A 68 3.628 0.720 13.743 1.00 4.23 O ATOM 1075 CB PRO A 68 0.756 0.301 15.082 1.00 75.14 C ATOM 1076 CG PRO A 68 0.428 -0.715 16.124 1.00 25.41 C ATOM 1077 CD PRO A 68 0.217 -2.008 15.381 1.00 43.45 C ATOM 0 HA PRO A 68 1.349 -0.131 12.995 1.00 54.24 H new ATOM 0 HB2 PRO A 68 1.349 1.116 15.498 1.00 75.14 H new ATOM 0 HB3 PRO A 68 -0.148 0.745 14.665 1.00 75.14 H new ATOM 0 HG2 PRO A 68 1.237 -0.808 16.849 1.00 25.41 H new ATOM 0 HG3 PRO A 68 -0.466 -0.432 16.679 1.00 25.41 H new ATOM 0 HD2 PRO A 68 0.479 -2.872 15.992 1.00 43.45 H new ATOM 0 HD3 PRO A 68 -0.823 -2.135 15.079 1.00 43.45 H new ATOM 1085 N GLU A 69 3.694 -1.226 14.873 1.00 33.15 N ATOM 1086 CA GLU A 69 5.151 -1.229 15.038 1.00 10.43 C ATOM 1087 C GLU A 69 5.725 -2.612 14.682 1.00 5.11 C ATOM 1088 O GLU A 69 6.036 -3.420 15.562 1.00 34.21 O ATOM 1089 CB GLU A 69 5.533 -0.830 16.477 1.00 12.11 C ATOM 1090 CG GLU A 69 5.036 0.560 16.879 1.00 73.21 C ATOM 1091 CD GLU A 69 5.462 0.969 18.281 1.00 10.24 C ATOM 1092 OE1 GLU A 69 4.754 0.623 19.251 1.00 13.02 O ATOM 1093 OE2 GLU A 69 6.504 1.647 18.418 1.00 14.00 O ATOM 0 H GLU A 69 3.223 -2.012 15.320 1.00 33.15 H new ATOM 0 HA GLU A 69 5.581 -0.494 14.358 1.00 10.43 H new ATOM 0 HB2 GLU A 69 5.126 -1.567 17.170 1.00 12.11 H new ATOM 0 HB3 GLU A 69 6.618 -0.862 16.578 1.00 12.11 H new ATOM 0 HG2 GLU A 69 5.411 1.293 16.165 1.00 73.21 H new ATOM 0 HG3 GLU A 69 3.948 0.581 16.817 1.00 73.21 H new ATOM 1100 N PRO A 70 5.835 -2.918 13.372 1.00 30.42 N ATOM 1101 CA PRO A 70 6.302 -4.228 12.904 1.00 24.14 C ATOM 1102 C PRO A 70 7.829 -4.382 12.990 1.00 51.43 C ATOM 1103 O PRO A 70 8.570 -3.890 12.134 1.00 20.22 O ATOM 1104 CB PRO A 70 5.823 -4.262 11.451 1.00 24.21 C ATOM 1105 CG PRO A 70 5.835 -2.832 11.018 1.00 50.53 C ATOM 1106 CD PRO A 70 5.510 -2.014 12.247 1.00 51.40 C ATOM 0 HA PRO A 70 5.918 -5.046 13.514 1.00 24.14 H new ATOM 0 HB2 PRO A 70 6.481 -4.870 10.830 1.00 24.21 H new ATOM 0 HB3 PRO A 70 4.824 -4.692 11.372 1.00 24.21 H new ATOM 0 HG2 PRO A 70 6.809 -2.556 10.614 1.00 50.53 H new ATOM 0 HG3 PRO A 70 5.102 -2.658 10.230 1.00 50.53 H new ATOM 0 HD2 PRO A 70 6.101 -1.099 12.286 1.00 51.40 H new ATOM 0 HD3 PRO A 70 4.461 -1.717 12.263 1.00 51.40 H new ATOM 1114 N ARG A 71 8.289 -5.064 14.034 1.00 63.22 N ATOM 1115 CA ARG A 71 9.725 -5.248 14.265 1.00 35.41 C ATOM 1116 C ARG A 71 10.292 -6.376 13.387 1.00 52.35 C ATOM 1117 O ARG A 71 11.350 -6.230 12.767 1.00 71.23 O ATOM 1118 CB ARG A 71 9.972 -5.566 15.746 1.00 73.30 C ATOM 1119 CG ARG A 71 11.427 -5.420 16.191 1.00 0.33 C ATOM 1120 CD ARG A 71 11.882 -3.964 16.160 1.00 72.13 C ATOM 1121 NE ARG A 71 13.203 -3.784 16.762 1.00 25.00 N ATOM 1122 CZ ARG A 71 13.553 -2.738 17.462 1.00 32.23 C ATOM 1123 NH1 ARG A 71 12.725 -1.763 17.654 1.00 64.53 N ATOM 1124 NH2 ARG A 71 14.739 -2.675 17.968 1.00 31.52 N ATOM 0 H ARG A 71 7.691 -5.500 14.736 1.00 63.22 H new ATOM 0 HA ARG A 71 10.235 -4.323 13.997 1.00 35.41 H new ATOM 0 HB2 ARG A 71 9.351 -4.908 16.354 1.00 73.30 H new ATOM 0 HB3 ARG A 71 9.645 -6.587 15.945 1.00 73.30 H new ATOM 0 HG2 ARG A 71 11.541 -5.816 17.200 1.00 0.33 H new ATOM 0 HG3 ARG A 71 12.068 -6.016 15.541 1.00 0.33 H new ATOM 0 HD2 ARG A 71 11.904 -3.614 15.128 1.00 72.13 H new ATOM 0 HD3 ARG A 71 11.156 -3.347 16.690 1.00 72.13 H new ATOM 0 HE ARG A 71 13.894 -4.522 16.627 1.00 25.00 H new ATOM 0 HH11 ARG A 71 11.786 -1.805 17.257 1.00 64.53 H new ATOM 0 HH12 ARG A 71 13.011 -0.952 18.203 1.00 64.53 H new ATOM 0 HH21 ARG A 71 15.398 -3.440 17.820 1.00 31.52 H new ATOM 0 HH22 ARG A 71 15.017 -1.861 18.515 1.00 31.52 H new ATOM 1138 N SER A 72 9.576 -7.496 13.343 1.00 44.12 N ATOM 1139 CA SER A 72 10.017 -8.689 12.602 1.00 14.41 C ATOM 1140 C SER A 72 9.337 -8.785 11.228 1.00 3.31 C ATOM 1141 O SER A 72 8.272 -8.201 11.008 1.00 34.43 O ATOM 1142 CB SER A 72 9.694 -9.958 13.408 1.00 42.43 C ATOM 1143 OG SER A 72 10.089 -9.825 14.765 1.00 3.33 O ATOM 0 H SER A 72 8.679 -7.609 13.814 1.00 44.12 H new ATOM 0 HA SER A 72 11.093 -8.602 12.452 1.00 14.41 H new ATOM 0 HB2 SER A 72 8.624 -10.160 13.357 1.00 42.43 H new ATOM 0 HB3 SER A 72 10.202 -10.813 12.962 1.00 42.43 H new ATOM 0 HG SER A 72 9.417 -9.303 15.252 1.00 3.33 H new ATOM 1149 N GLU A 73 9.943 -9.546 10.315 1.00 21.22 N ATOM 1150 CA GLU A 73 9.356 -9.784 8.986 1.00 64.43 C ATOM 1151 C GLU A 73 7.957 -10.404 9.094 1.00 72.35 C ATOM 1152 O GLU A 73 7.021 -9.963 8.429 1.00 51.33 O ATOM 1153 CB GLU A 73 10.266 -10.703 8.162 1.00 53.40 C ATOM 1154 CG GLU A 73 11.607 -10.077 7.809 1.00 24.34 C ATOM 1155 CD GLU A 73 12.546 -11.068 7.149 1.00 5.23 C ATOM 1156 OE1 GLU A 73 13.257 -11.792 7.877 1.00 74.42 O ATOM 1157 OE2 GLU A 73 12.573 -11.134 5.901 1.00 73.34 O ATOM 0 H GLU A 73 10.839 -10.009 10.467 1.00 21.22 H new ATOM 0 HA GLU A 73 9.264 -8.819 8.487 1.00 64.43 H new ATOM 0 HB2 GLU A 73 10.440 -11.623 8.720 1.00 53.40 H new ATOM 0 HB3 GLU A 73 9.751 -10.980 7.242 1.00 53.40 H new ATOM 0 HG2 GLU A 73 11.446 -9.231 7.141 1.00 24.34 H new ATOM 0 HG3 GLU A 73 12.072 -9.685 8.713 1.00 24.34 H new ATOM 1164 N SER A 74 7.817 -11.418 9.946 1.00 62.15 N ATOM 1165 CA SER A 74 6.521 -12.084 10.164 1.00 13.34 C ATOM 1166 C SER A 74 5.431 -11.091 10.594 1.00 32.44 C ATOM 1167 O SER A 74 4.240 -11.369 10.473 1.00 40.32 O ATOM 1168 CB SER A 74 6.659 -13.188 11.218 1.00 1.21 C ATOM 1169 OG SER A 74 7.616 -14.155 10.815 1.00 63.13 O ATOM 0 H SER A 74 8.583 -11.801 10.500 1.00 62.15 H new ATOM 0 HA SER A 74 6.219 -12.523 9.213 1.00 13.34 H new ATOM 0 HB2 SER A 74 6.956 -12.751 12.171 1.00 1.21 H new ATOM 0 HB3 SER A 74 5.694 -13.669 11.375 1.00 1.21 H new ATOM 0 HG SER A 74 7.689 -14.849 11.503 1.00 63.13 H new ATOM 1175 N GLU A 75 5.848 -9.943 11.119 1.00 55.52 N ATOM 1176 CA GLU A 75 4.921 -8.861 11.464 1.00 72.12 C ATOM 1177 C GLU A 75 4.643 -7.969 10.245 1.00 32.25 C ATOM 1178 O GLU A 75 3.501 -7.820 9.808 1.00 42.14 O ATOM 1179 CB GLU A 75 5.510 -8.006 12.593 1.00 40.10 C ATOM 1180 CG GLU A 75 5.813 -8.777 13.871 1.00 1.21 C ATOM 1181 CD GLU A 75 6.525 -7.917 14.901 1.00 12.41 C ATOM 1182 OE1 GLU A 75 5.964 -6.878 15.295 1.00 31.20 O ATOM 1183 OE2 GLU A 75 7.651 -8.264 15.306 1.00 62.02 O ATOM 0 H GLU A 75 6.826 -9.734 11.317 1.00 55.52 H new ATOM 0 HA GLU A 75 3.984 -9.310 11.793 1.00 72.12 H new ATOM 0 HB2 GLU A 75 6.429 -7.539 12.238 1.00 40.10 H new ATOM 0 HB3 GLU A 75 4.813 -7.201 12.825 1.00 40.10 H new ATOM 0 HG2 GLU A 75 4.883 -9.155 14.295 1.00 1.21 H new ATOM 0 HG3 GLU A 75 6.430 -9.644 13.634 1.00 1.21 H new ATOM 1190 N CYS A 76 5.712 -7.396 9.697 1.00 70.03 N ATOM 1191 CA CYS A 76 5.624 -6.446 8.577 1.00 24.23 C ATOM 1192 C CYS A 76 4.909 -7.060 7.360 1.00 74.43 C ATOM 1193 O CYS A 76 4.024 -6.442 6.767 1.00 51.24 O ATOM 1194 CB CYS A 76 7.033 -5.984 8.182 1.00 24.55 C ATOM 1195 SG CYS A 76 7.069 -4.597 7.028 1.00 75.31 S ATOM 0 H CYS A 76 6.666 -7.573 10.012 1.00 70.03 H new ATOM 0 HA CYS A 76 5.034 -5.591 8.907 1.00 24.23 H new ATOM 0 HB2 CYS A 76 7.576 -5.704 9.084 1.00 24.55 H new ATOM 0 HB3 CYS A 76 7.566 -6.824 7.737 1.00 24.55 H new ATOM 0 HG CYS A 76 7.925 -4.843 6.081 1.00 75.31 H new ATOM 1201 N LEU A 77 5.294 -8.282 7.006 1.00 30.42 N ATOM 1202 CA LEU A 77 4.672 -9.004 5.891 1.00 3.43 C ATOM 1203 C LEU A 77 3.175 -9.246 6.139 1.00 12.22 C ATOM 1204 O LEU A 77 2.364 -9.167 5.218 1.00 64.22 O ATOM 1205 CB LEU A 77 5.390 -10.342 5.660 1.00 13.22 C ATOM 1206 CG LEU A 77 6.859 -10.231 5.211 1.00 32.24 C ATOM 1207 CD1 LEU A 77 7.522 -11.607 5.158 1.00 0.50 C ATOM 1208 CD2 LEU A 77 6.954 -9.535 3.856 1.00 75.45 C ATOM 0 H LEU A 77 6.037 -8.799 7.475 1.00 30.42 H new ATOM 0 HA LEU A 77 4.768 -8.384 5.000 1.00 3.43 H new ATOM 0 HB2 LEU A 77 5.352 -10.920 6.583 1.00 13.22 H new ATOM 0 HB3 LEU A 77 4.839 -10.906 4.908 1.00 13.22 H new ATOM 0 HG LEU A 77 7.393 -9.629 5.946 1.00 32.24 H new ATOM 0 HD11 LEU A 77 8.558 -11.499 4.838 1.00 0.50 H new ATOM 0 HD12 LEU A 77 7.493 -12.063 6.148 1.00 0.50 H new ATOM 0 HD13 LEU A 77 6.988 -12.241 4.450 1.00 0.50 H new ATOM 0 HD21 LEU A 77 7.999 -9.466 3.555 1.00 75.45 H new ATOM 0 HD22 LEU A 77 6.400 -10.108 3.113 1.00 75.45 H new ATOM 0 HD23 LEU A 77 6.531 -8.533 3.931 1.00 75.45 H new ATOM 1220 N SER A 78 2.812 -9.533 7.390 1.00 14.41 N ATOM 1221 CA SER A 78 1.407 -9.775 7.754 1.00 62.12 C ATOM 1222 C SER A 78 0.547 -8.522 7.558 1.00 14.03 C ATOM 1223 O SER A 78 -0.605 -8.619 7.136 1.00 62.22 O ATOM 1224 CB SER A 78 1.293 -10.275 9.200 1.00 2.53 C ATOM 1225 OG SER A 78 1.867 -11.567 9.337 1.00 62.25 O ATOM 0 H SER A 78 3.466 -9.604 8.169 1.00 14.41 H new ATOM 0 HA SER A 78 1.030 -10.549 7.085 1.00 62.12 H new ATOM 0 HB2 SER A 78 1.794 -9.577 9.871 1.00 2.53 H new ATOM 0 HB3 SER A 78 0.245 -10.305 9.497 1.00 2.53 H new ATOM 0 HG SER A 78 2.742 -11.492 9.772 1.00 62.25 H new ATOM 1231 N ASN A 79 1.107 -7.348 7.859 1.00 14.31 N ATOM 1232 CA ASN A 79 0.412 -6.076 7.600 1.00 73.02 C ATOM 1233 C ASN A 79 0.056 -5.949 6.113 1.00 11.41 C ATOM 1234 O ASN A 79 -1.071 -5.599 5.751 1.00 22.12 O ATOM 1235 CB ASN A 79 1.279 -4.881 8.015 1.00 3.14 C ATOM 1236 CG ASN A 79 1.637 -4.892 9.488 1.00 74.22 C ATOM 1237 OD1 ASN A 79 0.925 -5.454 10.311 1.00 64.20 O ATOM 1238 ND2 ASN A 79 2.738 -4.255 9.839 1.00 23.11 N ATOM 0 H ASN A 79 2.031 -7.247 8.279 1.00 14.31 H new ATOM 0 HA ASN A 79 -0.502 -6.074 8.193 1.00 73.02 H new ATOM 0 HB2 ASN A 79 2.195 -4.881 7.424 1.00 3.14 H new ATOM 0 HB3 ASN A 79 0.750 -3.957 7.782 1.00 3.14 H new ATOM 0 HD21 ASN A 79 3.017 -4.221 10.820 1.00 23.11 H new ATOM 0 HD22 ASN A 79 3.310 -3.797 9.130 1.00 23.11 H new ATOM 1245 N ILE A 80 1.032 -6.241 5.257 1.00 53.53 N ATOM 1246 CA ILE A 80 0.827 -6.217 3.808 1.00 12.34 C ATOM 1247 C ILE A 80 -0.188 -7.289 3.379 1.00 34.43 C ATOM 1248 O ILE A 80 -1.073 -7.028 2.567 1.00 65.32 O ATOM 1249 CB ILE A 80 2.160 -6.442 3.047 1.00 5.23 C ATOM 1250 CG1 ILE A 80 3.227 -5.440 3.525 1.00 31.11 C ATOM 1251 CG2 ILE A 80 1.943 -6.317 1.538 1.00 11.03 C ATOM 1252 CD1 ILE A 80 4.583 -5.623 2.874 1.00 13.13 C ATOM 0 H ILE A 80 1.977 -6.498 5.542 1.00 53.53 H new ATOM 0 HA ILE A 80 0.438 -5.231 3.555 1.00 12.34 H new ATOM 0 HB ILE A 80 2.514 -7.451 3.260 1.00 5.23 H new ATOM 0 HG12 ILE A 80 2.874 -4.428 3.327 1.00 31.11 H new ATOM 0 HG13 ILE A 80 3.339 -5.533 4.605 1.00 31.11 H new ATOM 0 HG21 ILE A 80 2.888 -6.478 1.020 1.00 11.03 H new ATOM 0 HG22 ILE A 80 1.219 -7.063 1.211 1.00 11.03 H new ATOM 0 HG23 ILE A 80 1.567 -5.321 1.306 1.00 11.03 H new ATOM 0 HD11 ILE A 80 5.277 -4.879 3.264 1.00 13.13 H new ATOM 0 HD12 ILE A 80 4.960 -6.622 3.093 1.00 13.13 H new ATOM 0 HD13 ILE A 80 4.488 -5.500 1.795 1.00 13.13 H new ATOM 1264 N ARG A 81 -0.063 -8.494 3.942 1.00 43.35 N ATOM 1265 CA ARG A 81 -0.969 -9.608 3.614 1.00 60.32 C ATOM 1266 C ARG A 81 -2.411 -9.337 4.079 1.00 35.43 C ATOM 1267 O ARG A 81 -3.363 -9.820 3.468 1.00 73.22 O ATOM 1268 CB ARG A 81 -0.440 -10.926 4.203 1.00 51.44 C ATOM 1269 CG ARG A 81 0.883 -11.368 3.582 1.00 72.10 C ATOM 1270 CD ARG A 81 1.371 -12.704 4.135 1.00 14.02 C ATOM 1271 NE ARG A 81 1.617 -12.659 5.577 1.00 34.32 N ATOM 1272 CZ ARG A 81 2.700 -13.110 6.154 1.00 71.11 C ATOM 1273 NH1 ARG A 81 3.694 -13.543 5.445 1.00 15.44 N ATOM 1274 NH2 ARG A 81 2.803 -13.100 7.445 1.00 65.52 N ATOM 0 H ARG A 81 0.655 -8.727 4.628 1.00 43.35 H new ATOM 0 HA ARG A 81 -0.996 -9.698 2.528 1.00 60.32 H new ATOM 0 HB2 ARG A 81 -0.309 -10.810 5.279 1.00 51.44 H new ATOM 0 HB3 ARG A 81 -1.184 -11.709 4.055 1.00 51.44 H new ATOM 0 HG2 ARG A 81 0.765 -11.447 2.501 1.00 72.10 H new ATOM 0 HG3 ARG A 81 1.639 -10.605 3.765 1.00 72.10 H new ATOM 0 HD2 ARG A 81 0.630 -13.474 3.920 1.00 14.02 H new ATOM 0 HD3 ARG A 81 2.289 -12.992 3.622 1.00 14.02 H new ATOM 0 HE ARG A 81 0.896 -12.249 6.171 1.00 34.32 H new ATOM 0 HH11 ARG A 81 3.636 -13.534 4.427 1.00 15.44 H new ATOM 0 HH12 ARG A 81 4.534 -13.893 5.905 1.00 15.44 H new ATOM 0 HH21 ARG A 81 2.038 -12.740 8.015 1.00 65.52 H new ATOM 0 HH22 ARG A 81 3.649 -13.453 7.892 1.00 65.52 H new ATOM 1288 N GLU A 82 -2.567 -8.568 5.158 1.00 64.13 N ATOM 1289 CA GLU A 82 -3.891 -8.095 5.592 1.00 45.01 C ATOM 1290 C GLU A 82 -4.505 -7.178 4.519 1.00 73.11 C ATOM 1291 O GLU A 82 -5.659 -7.346 4.115 1.00 63.14 O ATOM 1292 CB GLU A 82 -3.774 -7.352 6.937 1.00 35.34 C ATOM 1293 CG GLU A 82 -5.050 -6.637 7.391 1.00 52.21 C ATOM 1294 CD GLU A 82 -6.185 -7.575 7.789 1.00 45.02 C ATOM 1295 OE1 GLU A 82 -6.687 -8.313 6.921 1.00 41.14 O ATOM 1296 OE2 GLU A 82 -6.591 -7.566 8.973 1.00 32.42 O ATOM 0 H GLU A 82 -1.796 -8.257 5.750 1.00 64.13 H new ATOM 0 HA GLU A 82 -4.547 -8.955 5.728 1.00 45.01 H new ATOM 0 HB2 GLU A 82 -3.482 -8.067 7.706 1.00 35.34 H new ATOM 0 HB3 GLU A 82 -2.971 -6.619 6.862 1.00 35.34 H new ATOM 0 HG2 GLU A 82 -4.811 -5.994 8.238 1.00 52.21 H new ATOM 0 HG3 GLU A 82 -5.395 -5.988 6.586 1.00 52.21 H new ATOM 1303 N PHE A 83 -3.709 -6.216 4.050 1.00 52.15 N ATOM 1304 CA PHE A 83 -4.102 -5.340 2.939 1.00 23.23 C ATOM 1305 C PHE A 83 -4.482 -6.165 1.693 1.00 75.13 C ATOM 1306 O PHE A 83 -5.519 -5.934 1.065 1.00 62.21 O ATOM 1307 CB PHE A 83 -2.945 -4.378 2.615 1.00 22.02 C ATOM 1308 CG PHE A 83 -3.162 -3.531 1.387 1.00 25.04 C ATOM 1309 CD1 PHE A 83 -4.013 -2.437 1.423 1.00 40.02 C ATOM 1310 CD2 PHE A 83 -2.513 -3.831 0.196 1.00 65.04 C ATOM 1311 CE1 PHE A 83 -4.209 -1.659 0.300 1.00 15.12 C ATOM 1312 CE2 PHE A 83 -2.706 -3.054 -0.928 1.00 71.34 C ATOM 1313 CZ PHE A 83 -3.556 -1.967 -0.877 1.00 65.22 C ATOM 0 H PHE A 83 -2.780 -6.021 4.424 1.00 52.15 H new ATOM 0 HA PHE A 83 -4.979 -4.765 3.236 1.00 23.23 H new ATOM 0 HB2 PHE A 83 -2.785 -3.721 3.470 1.00 22.02 H new ATOM 0 HB3 PHE A 83 -2.032 -4.959 2.484 1.00 22.02 H new ATOM 0 HD1 PHE A 83 -4.528 -2.191 2.340 1.00 40.02 H new ATOM 0 HD2 PHE A 83 -1.850 -4.682 0.149 1.00 65.04 H new ATOM 0 HE1 PHE A 83 -4.874 -0.809 0.342 1.00 15.12 H new ATOM 0 HE2 PHE A 83 -2.193 -3.296 -1.847 1.00 71.34 H new ATOM 0 HZ PHE A 83 -3.710 -1.359 -1.756 1.00 65.22 H new ATOM 1323 N LEU A 84 -3.631 -7.134 1.353 1.00 23.52 N ATOM 1324 CA LEU A 84 -3.880 -8.038 0.222 1.00 43.31 C ATOM 1325 C LEU A 84 -5.170 -8.847 0.424 1.00 40.20 C ATOM 1326 O LEU A 84 -5.950 -9.037 -0.510 1.00 71.23 O ATOM 1327 CB LEU A 84 -2.692 -8.995 0.037 1.00 11.41 C ATOM 1328 CG LEU A 84 -1.339 -8.318 -0.237 1.00 33.44 C ATOM 1329 CD1 LEU A 84 -0.221 -9.355 -0.324 1.00 14.33 C ATOM 1330 CD2 LEU A 84 -1.401 -7.478 -1.512 1.00 10.04 C ATOM 0 H LEU A 84 -2.757 -7.316 1.846 1.00 23.52 H new ATOM 0 HA LEU A 84 -3.998 -7.426 -0.672 1.00 43.31 H new ATOM 0 HB2 LEU A 84 -2.598 -9.608 0.933 1.00 11.41 H new ATOM 0 HB3 LEU A 84 -2.916 -9.670 -0.789 1.00 11.41 H new ATOM 0 HG LEU A 84 -1.118 -7.652 0.597 1.00 33.44 H new ATOM 0 HD11 LEU A 84 0.727 -8.853 -0.518 1.00 14.33 H new ATOM 0 HD12 LEU A 84 -0.156 -9.900 0.618 1.00 14.33 H new ATOM 0 HD13 LEU A 84 -0.434 -10.053 -1.133 1.00 14.33 H new ATOM 0 HD21 LEU A 84 -0.433 -7.009 -1.686 1.00 10.04 H new ATOM 0 HD22 LEU A 84 -1.651 -8.118 -2.358 1.00 10.04 H new ATOM 0 HD23 LEU A 84 -2.164 -6.707 -1.403 1.00 10.04 H new ATOM 1342 N ARG A 85 -5.384 -9.318 1.653 1.00 62.44 N ATOM 1343 CA ARG A 85 -6.584 -10.086 1.997 1.00 65.44 C ATOM 1344 C ARG A 85 -7.854 -9.253 1.767 1.00 13.02 C ATOM 1345 O ARG A 85 -8.815 -9.719 1.148 1.00 61.35 O ATOM 1346 CB ARG A 85 -6.523 -10.551 3.462 1.00 72.41 C ATOM 1347 CG ARG A 85 -7.632 -11.535 3.838 1.00 12.43 C ATOM 1348 CD ARG A 85 -7.607 -11.902 5.319 1.00 1.12 C ATOM 1349 NE ARG A 85 -7.840 -10.741 6.177 1.00 32.44 N ATOM 1350 CZ ARG A 85 -8.882 -10.583 6.946 1.00 61.52 C ATOM 1351 NH1 ARG A 85 -9.818 -11.479 6.992 1.00 61.34 N ATOM 1352 NH2 ARG A 85 -8.983 -9.520 7.673 1.00 65.15 N ATOM 0 H ARG A 85 -4.739 -9.181 2.431 1.00 62.44 H new ATOM 0 HA ARG A 85 -6.620 -10.960 1.347 1.00 65.44 H new ATOM 0 HB2 ARG A 85 -5.556 -11.019 3.646 1.00 72.41 H new ATOM 0 HB3 ARG A 85 -6.585 -9.680 4.114 1.00 72.41 H new ATOM 0 HG2 ARG A 85 -8.600 -11.099 3.591 1.00 12.43 H new ATOM 0 HG3 ARG A 85 -7.528 -12.441 3.240 1.00 12.43 H new ATOM 0 HD2 ARG A 85 -8.367 -12.658 5.518 1.00 1.12 H new ATOM 0 HD3 ARG A 85 -6.643 -12.347 5.566 1.00 1.12 H new ATOM 0 HE ARG A 85 -7.137 -10.002 6.174 1.00 32.44 H new ATOM 0 HH11 ARG A 85 -9.746 -12.322 6.422 1.00 61.34 H new ATOM 0 HH12 ARG A 85 -10.627 -11.341 7.598 1.00 61.34 H new ATOM 0 HH21 ARG A 85 -8.251 -8.811 7.644 1.00 65.15 H new ATOM 0 HH22 ARG A 85 -9.795 -9.390 8.276 1.00 65.15 H new ATOM 1366 N GLY A 86 -7.845 -8.019 2.265 1.00 64.12 N ATOM 1367 CA GLY A 86 -8.980 -7.121 2.085 1.00 21.15 C ATOM 1368 C GLY A 86 -9.287 -6.826 0.618 1.00 22.03 C ATOM 1369 O GLY A 86 -10.406 -7.055 0.152 1.00 30.21 O ATOM 0 H GLY A 86 -7.069 -7.621 2.793 1.00 64.12 H new ATOM 0 HA2 GLY A 86 -9.861 -7.561 2.552 1.00 21.15 H new ATOM 0 HA3 GLY A 86 -8.779 -6.183 2.603 1.00 21.15 H new ATOM 1373 N CYS A 87 -8.295 -6.325 -0.114 1.00 61.43 N ATOM 1374 CA CYS A 87 -8.461 -6.013 -1.542 1.00 61.20 C ATOM 1375 C CYS A 87 -8.824 -7.261 -2.362 1.00 23.32 C ATOM 1376 O CYS A 87 -9.620 -7.190 -3.299 1.00 3.13 O ATOM 1377 CB CYS A 87 -7.185 -5.375 -2.104 1.00 34.10 C ATOM 1378 SG CYS A 87 -6.746 -3.801 -1.329 1.00 22.50 S ATOM 0 H CYS A 87 -7.365 -6.124 0.253 1.00 61.43 H new ATOM 0 HA CYS A 87 -9.286 -5.305 -1.624 1.00 61.20 H new ATOM 0 HB2 CYS A 87 -6.357 -6.073 -1.979 1.00 34.10 H new ATOM 0 HB3 CYS A 87 -7.311 -5.218 -3.175 1.00 34.10 H new ATOM 0 HG CYS A 87 -5.465 -3.606 -1.437 1.00 22.50 H new ATOM 1384 N GLY A 88 -8.237 -8.399 -2.001 1.00 3.51 N ATOM 1385 CA GLY A 88 -8.518 -9.654 -2.693 1.00 73.14 C ATOM 1386 C GLY A 88 -9.896 -10.235 -2.372 1.00 75.24 C ATOM 1387 O GLY A 88 -10.456 -10.994 -3.162 1.00 41.25 O ATOM 0 H GLY A 88 -7.566 -8.478 -1.236 1.00 3.51 H new ATOM 0 HA2 GLY A 88 -8.443 -9.491 -3.768 1.00 73.14 H new ATOM 0 HA3 GLY A 88 -7.754 -10.385 -2.427 1.00 73.14 H new ATOM 1391 N ALA A 89 -10.442 -9.894 -1.206 1.00 21.11 N ATOM 1392 CA ALA A 89 -11.771 -10.375 -0.802 1.00 4.25 C ATOM 1393 C ALA A 89 -12.888 -9.392 -1.201 1.00 40.51 C ATOM 1394 O ALA A 89 -13.793 -9.735 -1.962 1.00 73.35 O ATOM 1395 CB ALA A 89 -11.809 -10.630 0.703 1.00 71.43 C ATOM 0 H ALA A 89 -9.989 -9.288 -0.522 1.00 21.11 H new ATOM 0 HA ALA A 89 -11.952 -11.311 -1.331 1.00 4.25 H new ATOM 0 HB1 ALA A 89 -12.799 -10.986 0.987 1.00 71.43 H new ATOM 0 HB2 ALA A 89 -11.065 -11.383 0.963 1.00 71.43 H new ATOM 0 HB3 ALA A 89 -11.590 -9.704 1.235 1.00 71.43 H new ATOM 1401 N SER A 90 -12.807 -8.167 -0.685 1.00 73.32 N ATOM 1402 CA SER A 90 -13.843 -7.146 -0.911 1.00 20.33 C ATOM 1403 C SER A 90 -13.908 -6.712 -2.385 1.00 13.10 C ATOM 1404 O SER A 90 -14.988 -6.612 -2.968 1.00 42.30 O ATOM 1405 CB SER A 90 -13.578 -5.923 -0.018 1.00 14.40 C ATOM 1406 OG SER A 90 -14.592 -4.939 -0.153 1.00 0.03 O ATOM 0 H SER A 90 -12.031 -7.850 -0.103 1.00 73.32 H new ATOM 0 HA SER A 90 -14.805 -7.589 -0.653 1.00 20.33 H new ATOM 0 HB2 SER A 90 -13.516 -6.240 1.023 1.00 14.40 H new ATOM 0 HB3 SER A 90 -12.613 -5.487 -0.276 1.00 14.40 H new ATOM 0 HG SER A 90 -14.798 -4.559 0.726 1.00 0.03 H new ATOM 1412 N LEU A 91 -12.748 -6.463 -2.988 1.00 41.11 N ATOM 1413 CA LEU A 91 -12.678 -6.000 -4.384 1.00 25.41 C ATOM 1414 C LEU A 91 -12.388 -7.148 -5.371 1.00 14.34 C ATOM 1415 O LEU A 91 -12.919 -7.163 -6.482 1.00 2.22 O ATOM 1416 CB LEU A 91 -11.608 -4.908 -4.507 1.00 75.44 C ATOM 1417 CG LEU A 91 -11.934 -3.597 -3.767 1.00 5.04 C ATOM 1418 CD1 LEU A 91 -10.702 -2.705 -3.676 1.00 11.51 C ATOM 1419 CD2 LEU A 91 -13.080 -2.863 -4.461 1.00 13.14 C ATOM 0 H LEU A 91 -11.840 -6.572 -2.537 1.00 41.11 H new ATOM 0 HA LEU A 91 -13.655 -5.595 -4.649 1.00 25.41 H new ATOM 0 HB2 LEU A 91 -10.665 -5.299 -4.126 1.00 75.44 H new ATOM 0 HB3 LEU A 91 -11.457 -4.685 -5.563 1.00 75.44 H new ATOM 0 HG LEU A 91 -12.247 -3.846 -2.753 1.00 5.04 H new ATOM 0 HD11 LEU A 91 -10.957 -1.785 -3.149 1.00 11.51 H new ATOM 0 HD12 LEU A 91 -9.914 -3.227 -3.134 1.00 11.51 H new ATOM 0 HD13 LEU A 91 -10.353 -2.463 -4.680 1.00 11.51 H new ATOM 0 HD21 LEU A 91 -13.298 -1.939 -3.925 1.00 13.14 H new ATOM 0 HD22 LEU A 91 -12.794 -2.629 -5.487 1.00 13.14 H new ATOM 0 HD23 LEU A 91 -13.967 -3.496 -4.467 1.00 13.14 H new ATOM 1431 N ARG A 92 -11.545 -8.100 -4.957 1.00 21.44 N ATOM 1432 CA ARG A 92 -11.168 -9.255 -5.795 1.00 43.31 C ATOM 1433 C ARG A 92 -10.348 -8.839 -7.034 1.00 52.35 C ATOM 1434 O ARG A 92 -10.367 -9.518 -8.062 1.00 70.42 O ATOM 1435 CB ARG A 92 -12.415 -10.053 -6.215 1.00 24.32 C ATOM 1436 CG ARG A 92 -13.087 -10.791 -5.061 1.00 3.31 C ATOM 1437 CD ARG A 92 -14.324 -11.556 -5.518 1.00 12.45 C ATOM 1438 NE ARG A 92 -15.400 -10.661 -5.938 1.00 52.44 N ATOM 1439 CZ ARG A 92 -16.333 -10.979 -6.793 1.00 72.41 C ATOM 1440 NH1 ARG A 92 -16.328 -12.130 -7.388 1.00 41.14 N ATOM 1441 NH2 ARG A 92 -17.266 -10.131 -7.065 1.00 35.34 N ATOM 0 H ARG A 92 -11.104 -8.097 -4.037 1.00 21.44 H new ATOM 0 HA ARG A 92 -10.528 -9.894 -5.186 1.00 43.31 H new ATOM 0 HB2 ARG A 92 -13.136 -9.372 -6.668 1.00 24.32 H new ATOM 0 HB3 ARG A 92 -12.133 -10.775 -6.981 1.00 24.32 H new ATOM 0 HG2 ARG A 92 -12.377 -11.485 -4.611 1.00 3.31 H new ATOM 0 HG3 ARG A 92 -13.368 -10.076 -4.287 1.00 3.31 H new ATOM 0 HD2 ARG A 92 -14.057 -12.215 -6.345 1.00 12.45 H new ATOM 0 HD3 ARG A 92 -14.678 -12.191 -4.706 1.00 12.45 H new ATOM 0 HE ARG A 92 -15.423 -9.724 -5.535 1.00 52.44 H new ATOM 0 HH11 ARG A 92 -15.587 -12.803 -7.191 1.00 41.14 H new ATOM 0 HH12 ARG A 92 -17.065 -12.363 -8.054 1.00 41.14 H new ATOM 0 HH21 ARG A 92 -17.272 -9.217 -6.613 1.00 35.34 H new ATOM 0 HH22 ARG A 92 -17.998 -10.374 -7.733 1.00 35.34 H new ATOM 1455 N LEU A 93 -9.599 -7.743 -6.913 1.00 64.31 N ATOM 1456 CA LEU A 93 -8.730 -7.266 -8.002 1.00 1.05 C ATOM 1457 C LEU A 93 -7.383 -8.022 -8.024 1.00 62.40 C ATOM 1458 O LEU A 93 -7.130 -8.883 -7.175 1.00 61.51 O ATOM 1459 CB LEU A 93 -8.518 -5.743 -7.866 1.00 61.32 C ATOM 1460 CG LEU A 93 -7.893 -5.258 -6.537 1.00 65.02 C ATOM 1461 CD1 LEU A 93 -6.370 -5.238 -6.614 1.00 14.24 C ATOM 1462 CD2 LEU A 93 -8.422 -3.878 -6.152 1.00 52.53 C ATOM 0 H LEU A 93 -9.573 -7.165 -6.073 1.00 64.31 H new ATOM 0 HA LEU A 93 -9.221 -7.469 -8.954 1.00 1.05 H new ATOM 0 HB2 LEU A 93 -7.881 -5.411 -8.686 1.00 61.32 H new ATOM 0 HB3 LEU A 93 -9.482 -5.250 -7.992 1.00 61.32 H new ATOM 0 HG LEU A 93 -8.185 -5.968 -5.763 1.00 65.02 H new ATOM 0 HD11 LEU A 93 -5.962 -4.893 -5.664 1.00 14.24 H new ATOM 0 HD12 LEU A 93 -6.003 -6.243 -6.822 1.00 14.24 H new ATOM 0 HD13 LEU A 93 -6.055 -4.564 -7.411 1.00 14.24 H new ATOM 0 HD21 LEU A 93 -7.966 -3.562 -5.214 1.00 52.53 H new ATOM 0 HD22 LEU A 93 -8.174 -3.162 -6.935 1.00 52.53 H new ATOM 0 HD23 LEU A 93 -9.504 -3.924 -6.032 1.00 52.53 H new ATOM 1474 N GLU A 94 -6.520 -7.698 -8.990 1.00 63.30 N ATOM 1475 CA GLU A 94 -5.217 -8.374 -9.118 1.00 73.20 C ATOM 1476 C GLU A 94 -4.168 -7.775 -8.164 1.00 41.21 C ATOM 1477 O GLU A 94 -3.451 -6.831 -8.504 1.00 10.43 O ATOM 1478 CB GLU A 94 -4.709 -8.371 -10.582 1.00 14.51 C ATOM 1479 CG GLU A 94 -5.288 -7.278 -11.486 1.00 70.23 C ATOM 1480 CD GLU A 94 -4.925 -5.862 -11.060 1.00 22.42 C ATOM 1481 OE1 GLU A 94 -3.848 -5.363 -11.467 1.00 52.21 O ATOM 1482 OE2 GLU A 94 -5.731 -5.236 -10.340 1.00 32.35 O ATOM 0 H GLU A 94 -6.693 -6.978 -9.692 1.00 63.30 H new ATOM 0 HA GLU A 94 -5.370 -9.413 -8.827 1.00 73.20 H new ATOM 0 HB2 GLU A 94 -3.624 -8.269 -10.570 1.00 14.51 H new ATOM 0 HB3 GLU A 94 -4.933 -9.341 -11.027 1.00 14.51 H new ATOM 0 HG2 GLU A 94 -4.937 -7.441 -12.505 1.00 70.23 H new ATOM 0 HG3 GLU A 94 -6.374 -7.374 -11.504 1.00 70.23 H new ATOM 1489 N THR A 95 -4.098 -8.337 -6.958 1.00 61.15 N ATOM 1490 CA THR A 95 -3.175 -7.858 -5.917 1.00 13.25 C ATOM 1491 C THR A 95 -1.728 -8.325 -6.157 1.00 52.33 C ATOM 1492 O THR A 95 -1.435 -9.024 -7.129 1.00 2.41 O ATOM 1493 CB THR A 95 -3.627 -8.322 -4.510 1.00 33.54 C ATOM 1494 OG1 THR A 95 -3.701 -9.757 -4.459 1.00 12.00 O ATOM 1495 CG2 THR A 95 -4.984 -7.731 -4.141 1.00 52.54 C ATOM 0 H THR A 95 -4.672 -9.130 -6.672 1.00 61.15 H new ATOM 0 HA THR A 95 -3.200 -6.770 -5.970 1.00 13.25 H new ATOM 0 HB THR A 95 -2.888 -7.968 -3.792 1.00 33.54 H new ATOM 0 HG1 THR A 95 -3.986 -10.038 -3.565 1.00 12.00 H new ATOM 0 HG21 THR A 95 -5.273 -8.076 -3.148 1.00 52.54 H new ATOM 0 HG22 THR A 95 -4.920 -6.643 -4.143 1.00 52.54 H new ATOM 0 HG23 THR A 95 -5.730 -8.052 -4.868 1.00 52.54 H new ATOM 1503 N PHE A 96 -0.825 -7.931 -5.260 1.00 71.43 N ATOM 1504 CA PHE A 96 0.600 -8.262 -5.386 1.00 21.51 C ATOM 1505 C PHE A 96 1.070 -9.184 -4.251 1.00 73.54 C ATOM 1506 O PHE A 96 0.290 -9.562 -3.379 1.00 1.43 O ATOM 1507 CB PHE A 96 1.434 -6.972 -5.390 1.00 51.15 C ATOM 1508 CG PHE A 96 1.261 -6.119 -4.152 1.00 71.13 C ATOM 1509 CD1 PHE A 96 0.229 -5.193 -4.066 1.00 12.12 C ATOM 1510 CD2 PHE A 96 2.134 -6.236 -3.080 1.00 14.11 C ATOM 1511 CE1 PHE A 96 0.074 -4.406 -2.939 1.00 34.22 C ATOM 1512 CE2 PHE A 96 1.982 -5.452 -1.952 1.00 60.55 C ATOM 1513 CZ PHE A 96 0.951 -4.536 -1.881 1.00 12.22 C ATOM 0 H PHE A 96 -1.053 -7.379 -4.433 1.00 71.43 H new ATOM 0 HA PHE A 96 0.739 -8.794 -6.327 1.00 21.51 H new ATOM 0 HB2 PHE A 96 2.487 -7.234 -5.493 1.00 51.15 H new ATOM 0 HB3 PHE A 96 1.165 -6.381 -6.266 1.00 51.15 H new ATOM 0 HD1 PHE A 96 -0.461 -5.086 -4.890 1.00 12.12 H new ATOM 0 HD2 PHE A 96 2.943 -6.949 -3.128 1.00 14.11 H new ATOM 0 HE1 PHE A 96 -0.733 -3.690 -2.887 1.00 34.22 H new ATOM 0 HE2 PHE A 96 2.670 -5.556 -1.126 1.00 60.55 H new ATOM 0 HZ PHE A 96 0.831 -3.923 -1.000 1.00 12.22 H new ATOM 1523 N ASP A 97 2.349 -9.554 -4.281 1.00 71.10 N ATOM 1524 CA ASP A 97 2.953 -10.358 -3.215 1.00 4.35 C ATOM 1525 C ASP A 97 3.648 -9.460 -2.176 1.00 12.43 C ATOM 1526 O ASP A 97 4.349 -8.507 -2.528 1.00 21.43 O ATOM 1527 CB ASP A 97 3.969 -11.336 -3.807 1.00 4.13 C ATOM 1528 CG ASP A 97 3.379 -12.199 -4.907 1.00 62.05 C ATOM 1529 OD1 ASP A 97 3.174 -11.689 -6.028 1.00 62.14 O ATOM 1530 OD2 ASP A 97 3.115 -13.394 -4.656 1.00 64.42 O ATOM 0 H ASP A 97 2.991 -9.309 -5.035 1.00 71.10 H new ATOM 0 HA ASP A 97 2.158 -10.915 -2.719 1.00 4.35 H new ATOM 0 HB2 ASP A 97 4.816 -10.777 -4.204 1.00 4.13 H new ATOM 0 HB3 ASP A 97 4.354 -11.978 -3.014 1.00 4.13 H new ATOM 1535 N ALA A 98 3.456 -9.779 -0.899 1.00 33.40 N ATOM 1536 CA ALA A 98 4.042 -9.004 0.202 1.00 52.43 C ATOM 1537 C ALA A 98 5.572 -8.911 0.102 1.00 2.24 C ATOM 1538 O ALA A 98 6.157 -7.844 0.310 1.00 62.52 O ATOM 1539 CB ALA A 98 3.645 -9.622 1.539 1.00 72.11 C ATOM 0 H ALA A 98 2.895 -10.575 -0.595 1.00 33.40 H new ATOM 0 HA ALA A 98 3.650 -7.989 0.130 1.00 52.43 H new ATOM 0 HB1 ALA A 98 4.083 -9.043 2.352 1.00 72.11 H new ATOM 0 HB2 ALA A 98 2.559 -9.617 1.634 1.00 72.11 H new ATOM 0 HB3 ALA A 98 4.009 -10.648 1.588 1.00 72.11 H new ATOM 1545 N ASN A 99 6.215 -10.032 -0.218 1.00 14.40 N ATOM 1546 CA ASN A 99 7.679 -10.099 -0.285 1.00 5.15 C ATOM 1547 C ASN A 99 8.259 -9.154 -1.355 1.00 45.22 C ATOM 1548 O ASN A 99 9.299 -8.530 -1.138 1.00 12.00 O ATOM 1549 CB ASN A 99 8.136 -11.536 -0.552 1.00 33.34 C ATOM 1550 CG ASN A 99 7.658 -12.510 0.512 1.00 41.53 C ATOM 1551 OD1 ASN A 99 6.559 -12.387 1.047 1.00 21.32 O ATOM 1552 ND2 ASN A 99 8.491 -13.473 0.847 1.00 3.41 N ATOM 0 H ASN A 99 5.746 -10.911 -0.436 1.00 14.40 H new ATOM 0 HA ASN A 99 8.059 -9.771 0.682 1.00 5.15 H new ATOM 0 HB2 ASN A 99 7.764 -11.856 -1.525 1.00 33.34 H new ATOM 0 HB3 ASN A 99 9.225 -11.564 -0.602 1.00 33.34 H new ATOM 0 HD21 ASN A 99 8.231 -14.144 1.570 1.00 3.41 H new ATOM 0 HD22 ASN A 99 9.397 -13.548 0.384 1.00 3.41 H new ATOM 1559 N ASP A 100 7.583 -9.049 -2.501 1.00 61.23 N ATOM 1560 CA ASP A 100 8.020 -8.150 -3.579 1.00 61.04 C ATOM 1561 C ASP A 100 8.126 -6.694 -3.102 1.00 61.22 C ATOM 1562 O ASP A 100 9.127 -6.023 -3.355 1.00 22.53 O ATOM 1563 CB ASP A 100 7.067 -8.245 -4.773 1.00 65.31 C ATOM 1564 CG ASP A 100 7.272 -9.525 -5.553 1.00 52.14 C ATOM 1565 OD1 ASP A 100 8.218 -9.580 -6.353 1.00 71.52 O ATOM 1566 OD2 ASP A 100 6.495 -10.477 -5.371 1.00 14.03 O ATOM 0 H ASP A 100 6.733 -9.573 -2.709 1.00 61.23 H new ATOM 0 HA ASP A 100 9.015 -8.471 -3.887 1.00 61.04 H new ATOM 0 HB2 ASP A 100 6.037 -8.195 -4.421 1.00 65.31 H new ATOM 0 HB3 ASP A 100 7.221 -7.390 -5.431 1.00 65.31 H new ATOM 1571 N LEU A 101 7.098 -6.218 -2.407 1.00 12.21 N ATOM 1572 CA LEU A 101 7.094 -4.851 -1.875 1.00 42.12 C ATOM 1573 C LEU A 101 8.123 -4.693 -0.744 1.00 1.35 C ATOM 1574 O LEU A 101 8.905 -3.743 -0.727 1.00 62.41 O ATOM 1575 CB LEU A 101 5.692 -4.482 -1.364 1.00 20.23 C ATOM 1576 CG LEU A 101 5.582 -3.118 -0.661 1.00 32.12 C ATOM 1577 CD1 LEU A 101 6.033 -1.988 -1.583 1.00 43.54 C ATOM 1578 CD2 LEU A 101 4.156 -2.881 -0.174 1.00 71.52 C ATOM 0 H LEU A 101 6.256 -6.754 -2.197 1.00 12.21 H new ATOM 0 HA LEU A 101 7.369 -4.175 -2.685 1.00 42.12 H new ATOM 0 HB2 LEU A 101 5.002 -4.493 -2.208 1.00 20.23 H new ATOM 0 HB3 LEU A 101 5.361 -5.256 -0.671 1.00 20.23 H new ATOM 0 HG LEU A 101 6.245 -3.128 0.204 1.00 32.12 H new ATOM 0 HD11 LEU A 101 5.945 -1.035 -1.061 1.00 43.54 H new ATOM 0 HD12 LEU A 101 7.071 -2.148 -1.874 1.00 43.54 H new ATOM 0 HD13 LEU A 101 5.405 -1.973 -2.474 1.00 43.54 H new ATOM 0 HD21 LEU A 101 4.097 -1.912 0.321 1.00 71.52 H new ATOM 0 HD22 LEU A 101 3.474 -2.897 -1.024 1.00 71.52 H new ATOM 0 HD23 LEU A 101 3.877 -3.665 0.530 1.00 71.52 H new ATOM 1590 N TYR A 102 8.123 -5.645 0.184 1.00 73.32 N ATOM 1591 CA TYR A 102 9.010 -5.599 1.349 1.00 71.34 C ATOM 1592 C TYR A 102 10.496 -5.578 0.939 1.00 24.02 C ATOM 1593 O TYR A 102 11.268 -4.741 1.407 1.00 24.42 O ATOM 1594 CB TYR A 102 8.728 -6.799 2.263 1.00 43.22 C ATOM 1595 CG TYR A 102 9.501 -6.767 3.567 1.00 34.32 C ATOM 1596 CD1 TYR A 102 9.156 -5.871 4.571 1.00 2.21 C ATOM 1597 CD2 TYR A 102 10.571 -7.626 3.794 1.00 5.41 C ATOM 1598 CE1 TYR A 102 9.856 -5.827 5.760 1.00 14.10 C ATOM 1599 CE2 TYR A 102 11.274 -7.590 4.981 1.00 32.22 C ATOM 1600 CZ TYR A 102 10.913 -6.689 5.961 1.00 12.44 C ATOM 1601 OH TYR A 102 11.616 -6.644 7.145 1.00 24.22 O ATOM 0 H TYR A 102 7.516 -6.464 0.154 1.00 73.32 H new ATOM 0 HA TYR A 102 8.808 -4.673 1.888 1.00 71.34 H new ATOM 0 HB2 TYR A 102 7.661 -6.833 2.484 1.00 43.22 H new ATOM 0 HB3 TYR A 102 8.972 -7.717 1.728 1.00 43.22 H new ATOM 0 HD1 TYR A 102 8.326 -5.197 4.419 1.00 2.21 H new ATOM 0 HD2 TYR A 102 10.856 -8.333 3.029 1.00 5.41 H new ATOM 0 HE1 TYR A 102 9.577 -5.121 6.528 1.00 14.10 H new ATOM 0 HE2 TYR A 102 12.103 -8.264 5.142 1.00 32.22 H new ATOM 0 HH TYR A 102 11.022 -6.352 7.867 1.00 24.22 H new ATOM 1611 N GLN A 103 10.886 -6.500 0.063 1.00 21.22 N ATOM 1612 CA GLN A 103 12.284 -6.608 -0.379 1.00 1.15 C ATOM 1613 C GLN A 103 12.595 -5.687 -1.571 1.00 54.22 C ATOM 1614 O GLN A 103 13.761 -5.392 -1.846 1.00 23.02 O ATOM 1615 CB GLN A 103 12.606 -8.066 -0.744 1.00 4.21 C ATOM 1616 CG GLN A 103 12.610 -9.017 0.454 1.00 15.22 C ATOM 1617 CD GLN A 103 13.709 -8.697 1.458 1.00 61.12 C ATOM 1618 OE1 GLN A 103 14.772 -8.198 1.098 1.00 4.41 O ATOM 1619 NE2 GLN A 103 13.476 -8.996 2.719 1.00 33.20 N ATOM 0 H GLN A 103 10.258 -7.185 -0.358 1.00 21.22 H new ATOM 0 HA GLN A 103 12.913 -6.286 0.451 1.00 1.15 H new ATOM 0 HB2 GLN A 103 11.876 -8.418 -1.473 1.00 4.21 H new ATOM 0 HB3 GLN A 103 13.582 -8.102 -1.228 1.00 4.21 H new ATOM 0 HG2 GLN A 103 11.642 -8.969 0.954 1.00 15.22 H new ATOM 0 HG3 GLN A 103 12.735 -10.040 0.099 1.00 15.22 H new ATOM 0 HE21 GLN A 103 12.583 -9.410 2.989 1.00 33.20 H new ATOM 0 HE22 GLN A 103 14.188 -8.814 3.426 1.00 33.20 H new ATOM 1628 N GLY A 104 11.559 -5.233 -2.271 1.00 71.31 N ATOM 1629 CA GLY A 104 11.755 -4.382 -3.445 1.00 20.52 C ATOM 1630 C GLY A 104 12.116 -5.172 -4.704 1.00 73.51 C ATOM 1631 O GLY A 104 12.929 -4.728 -5.515 1.00 15.00 O ATOM 0 H GLY A 104 10.584 -5.436 -2.050 1.00 71.31 H new ATOM 0 HA2 GLY A 104 10.844 -3.812 -3.629 1.00 20.52 H new ATOM 0 HA3 GLY A 104 12.546 -3.661 -3.236 1.00 20.52 H new ATOM 1635 N GLN A 105 11.496 -6.339 -4.872 1.00 75.11 N ATOM 1636 CA GLN A 105 11.781 -7.227 -6.007 1.00 5.22 C ATOM 1637 C GLN A 105 11.009 -6.792 -7.266 1.00 30.21 C ATOM 1638 O GLN A 105 11.554 -6.100 -8.132 1.00 4.52 O ATOM 1639 CB GLN A 105 11.442 -8.680 -5.633 1.00 33.25 C ATOM 1640 CG GLN A 105 12.226 -9.193 -4.429 1.00 62.44 C ATOM 1641 CD GLN A 105 11.802 -10.583 -3.978 1.00 3.24 C ATOM 1642 OE1 GLN A 105 10.649 -10.978 -4.119 1.00 44.20 O ATOM 1643 NE2 GLN A 105 12.736 -11.334 -3.434 1.00 21.04 N ATOM 0 H GLN A 105 10.787 -6.697 -4.233 1.00 75.11 H new ATOM 0 HA GLN A 105 12.844 -7.160 -6.237 1.00 5.22 H new ATOM 0 HB2 GLN A 105 10.375 -8.754 -5.421 1.00 33.25 H new ATOM 0 HB3 GLN A 105 11.642 -9.324 -6.489 1.00 33.25 H new ATOM 0 HG2 GLN A 105 13.288 -9.207 -4.676 1.00 62.44 H new ATOM 0 HG3 GLN A 105 12.101 -8.496 -3.600 1.00 62.44 H new ATOM 0 HE21 GLN A 105 13.685 -10.974 -3.332 1.00 21.04 H new ATOM 0 HE22 GLN A 105 12.511 -12.276 -3.114 1.00 21.04 H new ATOM 1652 N ASN A 106 9.739 -7.193 -7.367 1.00 22.45 N ATOM 1653 CA ASN A 106 8.877 -6.756 -8.471 1.00 73.24 C ATOM 1654 C ASN A 106 7.888 -5.679 -8.008 1.00 44.00 C ATOM 1655 O ASN A 106 6.798 -5.986 -7.517 1.00 0.21 O ATOM 1656 CB ASN A 106 8.111 -7.942 -9.060 1.00 55.44 C ATOM 1657 CG ASN A 106 9.030 -8.985 -9.667 1.00 31.31 C ATOM 1658 OD1 ASN A 106 9.406 -8.893 -10.828 1.00 30.44 O ATOM 1659 ND2 ASN A 106 9.394 -9.985 -8.896 1.00 21.54 N ATOM 0 H ASN A 106 9.285 -7.818 -6.701 1.00 22.45 H new ATOM 0 HA ASN A 106 9.519 -6.329 -9.241 1.00 73.24 H new ATOM 0 HB2 ASN A 106 7.508 -8.405 -8.279 1.00 55.44 H new ATOM 0 HB3 ASN A 106 7.422 -7.582 -9.824 1.00 55.44 H new ATOM 0 HD21 ASN A 106 10.007 -10.714 -9.261 1.00 21.54 H new ATOM 0 HD22 ASN A 106 9.063 -10.033 -7.932 1.00 21.54 H new ATOM 1666 N PHE A 107 8.270 -4.414 -8.163 1.00 3.23 N ATOM 1667 CA PHE A 107 7.418 -3.299 -7.741 1.00 34.22 C ATOM 1668 C PHE A 107 6.268 -3.073 -8.736 1.00 43.02 C ATOM 1669 O PHE A 107 5.213 -2.559 -8.370 1.00 70.43 O ATOM 1670 CB PHE A 107 8.248 -2.015 -7.581 1.00 11.21 C ATOM 1671 CG PHE A 107 7.458 -0.842 -7.045 1.00 61.45 C ATOM 1672 CD1 PHE A 107 7.094 -0.788 -5.705 1.00 64.02 C ATOM 1673 CD2 PHE A 107 7.077 0.203 -7.880 1.00 3.15 C ATOM 1674 CE1 PHE A 107 6.372 0.282 -5.212 1.00 15.24 C ATOM 1675 CE2 PHE A 107 6.354 1.273 -7.388 1.00 14.23 C ATOM 1676 CZ PHE A 107 6.001 1.312 -6.053 1.00 0.14 C ATOM 0 H PHE A 107 9.160 -4.133 -8.576 1.00 3.23 H new ATOM 0 HA PHE A 107 6.984 -3.556 -6.775 1.00 34.22 H new ATOM 0 HB2 PHE A 107 9.084 -2.215 -6.911 1.00 11.21 H new ATOM 0 HB3 PHE A 107 8.672 -1.744 -8.548 1.00 11.21 H new ATOM 0 HD1 PHE A 107 7.379 -1.591 -5.042 1.00 64.02 H new ATOM 0 HD2 PHE A 107 7.349 0.178 -8.925 1.00 3.15 H new ATOM 0 HE1 PHE A 107 6.098 0.313 -4.168 1.00 15.24 H new ATOM 0 HE2 PHE A 107 6.065 2.078 -8.047 1.00 14.23 H new ATOM 0 HZ PHE A 107 5.435 2.147 -5.668 1.00 0.14 H new ATOM 1686 N ASN A 108 6.482 -3.466 -9.994 1.00 62.24 N ATOM 1687 CA ASN A 108 5.456 -3.341 -11.040 1.00 31.10 C ATOM 1688 C ASN A 108 4.113 -3.982 -10.628 1.00 33.53 C ATOM 1689 O ASN A 108 3.047 -3.399 -10.845 1.00 5.21 O ATOM 1690 CB ASN A 108 5.964 -3.946 -12.362 1.00 12.02 C ATOM 1691 CG ASN A 108 6.645 -5.294 -12.187 1.00 34.52 C ATOM 1692 OD1 ASN A 108 6.353 -6.048 -11.265 1.00 25.23 O ATOM 1693 ND2 ASN A 108 7.562 -5.611 -13.080 1.00 73.13 N ATOM 0 H ASN A 108 7.359 -3.875 -10.317 1.00 62.24 H new ATOM 0 HA ASN A 108 5.268 -2.277 -11.183 1.00 31.10 H new ATOM 0 HB2 ASN A 108 5.124 -4.058 -13.048 1.00 12.02 H new ATOM 0 HB3 ASN A 108 6.664 -3.251 -12.826 1.00 12.02 H new ATOM 0 HD21 ASN A 108 8.050 -6.504 -13.015 1.00 73.13 H new ATOM 0 HD22 ASN A 108 7.783 -4.963 -13.836 1.00 73.13 H new ATOM 1700 N LYS A 109 4.167 -5.176 -10.031 1.00 72.11 N ATOM 1701 CA LYS A 109 2.957 -5.846 -9.535 1.00 64.04 C ATOM 1702 C LYS A 109 2.284 -5.017 -8.431 1.00 63.55 C ATOM 1703 O LYS A 109 1.064 -4.835 -8.423 1.00 71.13 O ATOM 1704 CB LYS A 109 3.290 -7.248 -8.994 1.00 11.44 C ATOM 1705 CG LYS A 109 3.910 -8.187 -10.027 1.00 61.10 C ATOM 1706 CD LYS A 109 4.081 -9.606 -9.481 1.00 22.12 C ATOM 1707 CE LYS A 109 4.967 -9.638 -8.239 1.00 31.23 C ATOM 1708 NZ LYS A 109 5.152 -11.018 -7.720 1.00 61.22 N ATOM 0 H LYS A 109 5.030 -5.698 -9.879 1.00 72.11 H new ATOM 0 HA LYS A 109 2.268 -5.943 -10.374 1.00 64.04 H new ATOM 0 HB2 LYS A 109 3.976 -7.147 -8.153 1.00 11.44 H new ATOM 0 HB3 LYS A 109 2.378 -7.702 -8.608 1.00 11.44 H new ATOM 0 HG2 LYS A 109 3.281 -8.214 -10.916 1.00 61.10 H new ATOM 0 HG3 LYS A 109 4.880 -7.798 -10.335 1.00 61.10 H new ATOM 0 HD2 LYS A 109 3.103 -10.022 -9.239 1.00 22.12 H new ATOM 0 HD3 LYS A 109 4.516 -10.241 -10.253 1.00 22.12 H new ATOM 0 HE2 LYS A 109 5.940 -9.207 -8.477 1.00 31.23 H new ATOM 0 HE3 LYS A 109 4.524 -9.015 -7.462 1.00 31.23 H new ATOM 0 HZ1 LYS A 109 5.787 -10.997 -6.897 1.00 61.22 H new ATOM 0 HZ2 LYS A 109 4.231 -11.409 -7.437 1.00 61.22 H new ATOM 0 HZ3 LYS A 109 5.568 -11.615 -8.463 1.00 61.22 H new ATOM 1722 N VAL A 110 3.097 -4.515 -7.500 1.00 55.11 N ATOM 1723 CA VAL A 110 2.605 -3.678 -6.402 1.00 12.31 C ATOM 1724 C VAL A 110 1.894 -2.428 -6.936 1.00 41.33 C ATOM 1725 O VAL A 110 0.747 -2.145 -6.582 1.00 35.10 O ATOM 1726 CB VAL A 110 3.765 -3.237 -5.471 1.00 73.21 C ATOM 1727 CG1 VAL A 110 3.239 -2.437 -4.277 1.00 50.43 C ATOM 1728 CG2 VAL A 110 4.579 -4.445 -5.009 1.00 32.33 C ATOM 0 H VAL A 110 4.104 -4.674 -7.484 1.00 55.11 H new ATOM 0 HA VAL A 110 1.897 -4.281 -5.834 1.00 12.31 H new ATOM 0 HB VAL A 110 4.426 -2.584 -6.041 1.00 73.21 H new ATOM 0 HG11 VAL A 110 4.074 -2.141 -3.641 1.00 50.43 H new ATOM 0 HG12 VAL A 110 2.722 -1.547 -4.635 1.00 50.43 H new ATOM 0 HG13 VAL A 110 2.547 -3.053 -3.703 1.00 50.43 H new ATOM 0 HG21 VAL A 110 5.387 -4.112 -4.357 1.00 32.33 H new ATOM 0 HG22 VAL A 110 3.933 -5.132 -4.463 1.00 32.33 H new ATOM 0 HG23 VAL A 110 4.999 -4.954 -5.876 1.00 32.33 H new ATOM 1738 N LEU A 111 2.586 -1.699 -7.802 1.00 73.24 N ATOM 1739 CA LEU A 111 2.067 -0.463 -8.383 1.00 43.33 C ATOM 1740 C LEU A 111 0.755 -0.699 -9.153 1.00 65.04 C ATOM 1741 O LEU A 111 -0.192 0.074 -9.024 1.00 53.30 O ATOM 1742 CB LEU A 111 3.124 0.155 -9.308 1.00 34.30 C ATOM 1743 CG LEU A 111 2.782 1.542 -9.871 1.00 40.45 C ATOM 1744 CD1 LEU A 111 2.557 2.543 -8.739 1.00 54.22 C ATOM 1745 CD2 LEU A 111 3.884 2.024 -10.813 1.00 51.41 C ATOM 0 H LEU A 111 3.522 -1.946 -8.123 1.00 73.24 H new ATOM 0 HA LEU A 111 1.845 0.226 -7.568 1.00 43.33 H new ATOM 0 HB2 LEU A 111 4.064 0.226 -8.760 1.00 34.30 H new ATOM 0 HB3 LEU A 111 3.293 -0.525 -10.143 1.00 34.30 H new ATOM 0 HG LEU A 111 1.856 1.464 -10.441 1.00 40.45 H new ATOM 0 HD11 LEU A 111 2.316 3.519 -9.159 1.00 54.22 H new ATOM 0 HD12 LEU A 111 1.732 2.204 -8.112 1.00 54.22 H new ATOM 0 HD13 LEU A 111 3.462 2.621 -8.137 1.00 54.22 H new ATOM 0 HD21 LEU A 111 3.625 3.008 -11.203 1.00 51.41 H new ATOM 0 HD22 LEU A 111 4.827 2.086 -10.269 1.00 51.41 H new ATOM 0 HD23 LEU A 111 3.988 1.322 -11.641 1.00 51.41 H new ATOM 1757 N SER A 112 0.702 -1.775 -9.944 1.00 11.23 N ATOM 1758 CA SER A 112 -0.511 -2.116 -10.709 1.00 0.25 C ATOM 1759 C SER A 112 -1.720 -2.295 -9.784 1.00 61.23 C ATOM 1760 O SER A 112 -2.803 -1.768 -10.048 1.00 2.14 O ATOM 1761 CB SER A 112 -0.299 -3.397 -11.524 1.00 53.02 C ATOM 1762 OG SER A 112 -1.442 -3.705 -12.317 1.00 60.23 O ATOM 0 H SER A 112 1.478 -2.424 -10.074 1.00 11.23 H new ATOM 0 HA SER A 112 -0.709 -1.287 -11.388 1.00 0.25 H new ATOM 0 HB2 SER A 112 0.572 -3.280 -12.169 1.00 53.02 H new ATOM 0 HB3 SER A 112 -0.087 -4.227 -10.850 1.00 53.02 H new ATOM 0 HG SER A 112 -2.056 -4.269 -11.801 1.00 60.23 H new ATOM 1768 N SER A 113 -1.524 -3.036 -8.693 1.00 52.10 N ATOM 1769 CA SER A 113 -2.588 -3.254 -7.703 1.00 52.23 C ATOM 1770 C SER A 113 -3.038 -1.932 -7.069 1.00 55.42 C ATOM 1771 O SER A 113 -4.227 -1.726 -6.825 1.00 14.41 O ATOM 1772 CB SER A 113 -2.118 -4.215 -6.603 1.00 72.52 C ATOM 1773 OG SER A 113 -3.129 -4.425 -5.623 1.00 41.25 O ATOM 0 H SER A 113 -0.641 -3.496 -8.470 1.00 52.10 H new ATOM 0 HA SER A 113 -3.435 -3.695 -8.228 1.00 52.23 H new ATOM 0 HB2 SER A 113 -1.838 -5.170 -7.048 1.00 72.52 H new ATOM 0 HB3 SER A 113 -1.225 -3.813 -6.125 1.00 72.52 H new ATOM 0 HG SER A 113 -2.750 -4.910 -4.861 1.00 41.25 H new ATOM 1779 N LEU A 114 -2.080 -1.042 -6.801 1.00 23.15 N ATOM 1780 CA LEU A 114 -2.383 0.280 -6.236 1.00 62.42 C ATOM 1781 C LEU A 114 -3.196 1.133 -7.223 1.00 73.24 C ATOM 1782 O LEU A 114 -4.183 1.771 -6.847 1.00 42.05 O ATOM 1783 CB LEU A 114 -1.086 1.008 -5.850 1.00 53.15 C ATOM 1784 CG LEU A 114 -0.247 0.318 -4.760 1.00 61.33 C ATOM 1785 CD1 LEU A 114 1.053 1.081 -4.507 1.00 23.53 C ATOM 1786 CD2 LEU A 114 -1.050 0.176 -3.464 1.00 14.02 C ATOM 0 H LEU A 114 -1.087 -1.210 -6.965 1.00 23.15 H new ATOM 0 HA LEU A 114 -2.985 0.131 -5.340 1.00 62.42 H new ATOM 0 HB2 LEU A 114 -0.471 1.119 -6.743 1.00 53.15 H new ATOM 0 HB3 LEU A 114 -1.339 2.012 -5.510 1.00 53.15 H new ATOM 0 HG LEU A 114 0.009 -0.680 -5.115 1.00 61.33 H new ATOM 0 HD11 LEU A 114 1.628 0.573 -3.733 1.00 23.53 H new ATOM 0 HD12 LEU A 114 1.637 1.119 -5.426 1.00 23.53 H new ATOM 0 HD13 LEU A 114 0.822 2.095 -4.181 1.00 23.53 H new ATOM 0 HD21 LEU A 114 -0.437 -0.314 -2.708 1.00 14.02 H new ATOM 0 HD22 LEU A 114 -1.344 1.163 -3.108 1.00 14.02 H new ATOM 0 HD23 LEU A 114 -1.942 -0.422 -3.652 1.00 14.02 H new ATOM 1798 N VAL A 115 -2.783 1.129 -8.490 1.00 70.35 N ATOM 1799 CA VAL A 115 -3.500 1.861 -9.539 1.00 74.23 C ATOM 1800 C VAL A 115 -4.945 1.352 -9.674 1.00 35.23 C ATOM 1801 O VAL A 115 -5.891 2.141 -9.688 1.00 22.55 O ATOM 1802 CB VAL A 115 -2.780 1.752 -10.909 1.00 24.31 C ATOM 1803 CG1 VAL A 115 -3.581 2.455 -12.007 1.00 64.01 C ATOM 1804 CG2 VAL A 115 -1.363 2.324 -10.827 1.00 14.21 C ATOM 0 H VAL A 115 -1.957 0.628 -8.817 1.00 70.35 H new ATOM 0 HA VAL A 115 -3.516 2.910 -9.242 1.00 74.23 H new ATOM 0 HB VAL A 115 -2.708 0.695 -11.165 1.00 24.31 H new ATOM 0 HG11 VAL A 115 -3.054 2.364 -12.957 1.00 64.01 H new ATOM 0 HG12 VAL A 115 -4.565 1.993 -12.092 1.00 64.01 H new ATOM 0 HG13 VAL A 115 -3.695 3.509 -11.756 1.00 64.01 H new ATOM 0 HG21 VAL A 115 -0.878 2.236 -11.799 1.00 14.21 H new ATOM 0 HG22 VAL A 115 -1.411 3.374 -10.539 1.00 14.21 H new ATOM 0 HG23 VAL A 115 -0.789 1.770 -10.084 1.00 14.21 H new ATOM 1814 N THR A 116 -5.110 0.032 -9.763 1.00 75.31 N ATOM 1815 CA THR A 116 -6.451 -0.571 -9.813 1.00 11.51 C ATOM 1816 C THR A 116 -7.263 -0.224 -8.562 1.00 22.15 C ATOM 1817 O THR A 116 -8.450 0.086 -8.652 1.00 23.13 O ATOM 1818 CB THR A 116 -6.397 -2.110 -9.949 1.00 63.13 C ATOM 1819 OG1 THR A 116 -5.761 -2.478 -11.183 1.00 13.32 O ATOM 1820 CG2 THR A 116 -7.799 -2.718 -9.898 1.00 23.13 C ATOM 0 H THR A 116 -4.342 -0.639 -9.802 1.00 75.31 H new ATOM 0 HA THR A 116 -6.933 -0.155 -10.697 1.00 11.51 H new ATOM 0 HB THR A 116 -5.819 -2.498 -9.111 1.00 63.13 H new ATOM 0 HG1 THR A 116 -5.676 -3.453 -11.229 1.00 13.32 H new ATOM 0 HG21 THR A 116 -7.730 -3.801 -9.996 1.00 23.13 H new ATOM 0 HG22 THR A 116 -8.269 -2.469 -8.947 1.00 23.13 H new ATOM 0 HG23 THR A 116 -8.399 -2.317 -10.715 1.00 23.13 H new ATOM 1828 N LEU A 117 -6.617 -0.284 -7.397 1.00 50.55 N ATOM 1829 CA LEU A 117 -7.263 0.078 -6.131 1.00 43.42 C ATOM 1830 C LEU A 117 -7.849 1.499 -6.203 1.00 33.32 C ATOM 1831 O LEU A 117 -8.959 1.751 -5.732 1.00 5.34 O ATOM 1832 CB LEU A 117 -6.255 -0.027 -4.978 1.00 41.42 C ATOM 1833 CG LEU A 117 -6.810 0.287 -3.578 1.00 45.22 C ATOM 1834 CD1 LEU A 117 -7.920 -0.691 -3.201 1.00 4.21 C ATOM 1835 CD2 LEU A 117 -5.693 0.264 -2.537 1.00 64.23 C ATOM 0 H LEU A 117 -5.646 -0.580 -7.302 1.00 50.55 H new ATOM 0 HA LEU A 117 -8.082 -0.618 -5.949 1.00 43.42 H new ATOM 0 HB2 LEU A 117 -5.845 -1.037 -4.968 1.00 41.42 H new ATOM 0 HB3 LEU A 117 -5.426 0.651 -5.181 1.00 41.42 H new ATOM 0 HG LEU A 117 -7.236 1.290 -3.600 1.00 45.22 H new ATOM 0 HD11 LEU A 117 -8.296 -0.449 -2.207 1.00 4.21 H new ATOM 0 HD12 LEU A 117 -8.732 -0.617 -3.925 1.00 4.21 H new ATOM 0 HD13 LEU A 117 -7.525 -1.707 -3.202 1.00 4.21 H new ATOM 0 HD21 LEU A 117 -6.107 0.489 -1.554 1.00 64.23 H new ATOM 0 HD22 LEU A 117 -5.232 -0.724 -2.520 1.00 64.23 H new ATOM 0 HD23 LEU A 117 -4.941 1.011 -2.793 1.00 64.23 H new ATOM 1847 N ASN A 118 -7.088 2.419 -6.800 1.00 74.01 N ATOM 1848 CA ASN A 118 -7.559 3.787 -7.045 1.00 25.01 C ATOM 1849 C ASN A 118 -8.752 3.794 -8.017 1.00 10.40 C ATOM 1850 O ASN A 118 -9.758 4.455 -7.775 1.00 2.03 O ATOM 1851 CB ASN A 118 -6.414 4.645 -7.609 1.00 32.54 C ATOM 1852 CG ASN A 118 -6.860 6.050 -7.982 1.00 11.42 C ATOM 1853 OD1 ASN A 118 -7.268 6.310 -9.112 1.00 14.44 O ATOM 1854 ND2 ASN A 118 -6.796 6.965 -7.038 1.00 41.13 N ATOM 0 H ASN A 118 -6.138 2.241 -7.125 1.00 74.01 H new ATOM 0 HA ASN A 118 -7.890 4.209 -6.096 1.00 25.01 H new ATOM 0 HB2 ASN A 118 -5.614 4.706 -6.871 1.00 32.54 H new ATOM 0 HB3 ASN A 118 -5.998 4.155 -8.489 1.00 32.54 H new ATOM 0 HD21 ASN A 118 -7.090 7.922 -7.234 1.00 41.13 H new ATOM 0 HD22 ASN A 118 -6.453 6.717 -6.110 1.00 41.13 H new ATOM 1861 N LYS A 119 -8.628 3.048 -9.113 1.00 33.32 N ATOM 1862 CA LYS A 119 -9.671 2.990 -10.147 1.00 72.30 C ATOM 1863 C LYS A 119 -11.012 2.470 -9.599 1.00 5.22 C ATOM 1864 O LYS A 119 -12.046 3.134 -9.724 1.00 44.21 O ATOM 1865 CB LYS A 119 -9.209 2.099 -11.307 1.00 43.22 C ATOM 1866 CG LYS A 119 -7.954 2.608 -12.007 1.00 52.33 C ATOM 1867 CD LYS A 119 -7.457 1.630 -13.069 1.00 5.10 C ATOM 1868 CE LYS A 119 -8.486 1.417 -14.176 1.00 32.11 C ATOM 1869 NZ LYS A 119 -8.005 0.461 -15.208 1.00 72.03 N ATOM 0 H LYS A 119 -7.812 2.470 -9.313 1.00 33.32 H new ATOM 0 HA LYS A 119 -9.833 4.009 -10.499 1.00 72.30 H new ATOM 0 HB2 LYS A 119 -9.022 1.094 -10.929 1.00 43.22 H new ATOM 0 HB3 LYS A 119 -10.015 2.020 -12.037 1.00 43.22 H new ATOM 0 HG2 LYS A 119 -8.163 3.572 -12.471 1.00 52.33 H new ATOM 0 HG3 LYS A 119 -7.169 2.773 -11.269 1.00 52.33 H new ATOM 0 HD2 LYS A 119 -6.530 2.006 -13.503 1.00 5.10 H new ATOM 0 HD3 LYS A 119 -7.225 0.673 -12.601 1.00 5.10 H new ATOM 0 HE2 LYS A 119 -9.414 1.045 -13.742 1.00 32.11 H new ATOM 0 HE3 LYS A 119 -8.715 2.373 -14.646 1.00 32.11 H new ATOM 0 HZ1 LYS A 119 -8.734 0.345 -15.941 1.00 72.03 H new ATOM 0 HZ2 LYS A 119 -7.134 0.828 -15.641 1.00 72.03 H new ATOM 0 HZ3 LYS A 119 -7.810 -0.459 -14.765 1.00 72.03 H new ATOM 1883 N VAL A 120 -10.989 1.283 -8.997 1.00 2.21 N ATOM 1884 CA VAL A 120 -12.209 0.652 -8.477 1.00 1.14 C ATOM 1885 C VAL A 120 -12.906 1.519 -7.412 1.00 23.22 C ATOM 1886 O VAL A 120 -14.131 1.645 -7.408 1.00 61.42 O ATOM 1887 CB VAL A 120 -11.920 -0.761 -7.900 1.00 10.45 C ATOM 1888 CG1 VAL A 120 -11.429 -1.704 -8.999 1.00 23.41 C ATOM 1889 CG2 VAL A 120 -10.907 -0.696 -6.755 1.00 53.00 C ATOM 0 H VAL A 120 -10.140 0.735 -8.855 1.00 2.21 H new ATOM 0 HA VAL A 120 -12.885 0.553 -9.326 1.00 1.14 H new ATOM 0 HB VAL A 120 -12.854 -1.154 -7.499 1.00 10.45 H new ATOM 0 HG11 VAL A 120 -11.233 -2.688 -8.573 1.00 23.41 H new ATOM 0 HG12 VAL A 120 -12.192 -1.789 -9.773 1.00 23.41 H new ATOM 0 HG13 VAL A 120 -10.512 -1.308 -9.435 1.00 23.41 H new ATOM 0 HG21 VAL A 120 -10.726 -1.700 -6.372 1.00 53.00 H new ATOM 0 HG22 VAL A 120 -9.971 -0.272 -7.120 1.00 53.00 H new ATOM 0 HG23 VAL A 120 -11.301 -0.069 -5.955 1.00 53.00 H new ATOM 1899 N THR A 121 -12.127 2.132 -6.525 1.00 35.45 N ATOM 1900 CA THR A 121 -12.691 3.008 -5.488 1.00 25.35 C ATOM 1901 C THR A 121 -13.128 4.357 -6.075 1.00 75.43 C ATOM 1902 O THR A 121 -14.081 4.972 -5.594 1.00 22.42 O ATOM 1903 CB THR A 121 -11.692 3.248 -4.335 1.00 54.13 C ATOM 1904 OG1 THR A 121 -10.476 3.813 -4.847 1.00 41.13 O ATOM 1905 CG2 THR A 121 -11.392 1.942 -3.601 1.00 11.42 C ATOM 0 H THR A 121 -11.111 2.043 -6.498 1.00 35.45 H new ATOM 0 HA THR A 121 -13.565 2.494 -5.088 1.00 25.35 H new ATOM 0 HB THR A 121 -12.141 3.947 -3.629 1.00 54.13 H new ATOM 0 HG1 THR A 121 -9.903 3.097 -5.192 1.00 41.13 H new ATOM 0 HG21 THR A 121 -10.686 2.133 -2.793 1.00 11.42 H new ATOM 0 HG22 THR A 121 -12.316 1.536 -3.188 1.00 11.42 H new ATOM 0 HG23 THR A 121 -10.960 1.224 -4.298 1.00 11.42 H new ATOM 1913 N ALA A 122 -12.430 4.810 -7.118 1.00 33.32 N ATOM 1914 CA ALA A 122 -12.846 5.999 -7.870 1.00 1.24 C ATOM 1915 C ALA A 122 -14.236 5.787 -8.474 1.00 54.13 C ATOM 1916 O ALA A 122 -15.065 6.702 -8.500 1.00 11.41 O ATOM 1917 CB ALA A 122 -11.831 6.333 -8.962 1.00 41.25 C ATOM 0 H ALA A 122 -11.575 4.373 -7.462 1.00 33.32 H new ATOM 0 HA ALA A 122 -12.892 6.842 -7.181 1.00 1.24 H new ATOM 0 HB1 ALA A 122 -12.160 7.218 -9.506 1.00 41.25 H new ATOM 0 HB2 ALA A 122 -10.859 6.527 -8.508 1.00 41.25 H new ATOM 0 HB3 ALA A 122 -11.749 5.493 -9.651 1.00 41.25 H new ATOM 1923 N ASP A 123 -14.478 4.567 -8.952 1.00 63.43 N ATOM 1924 CA ASP A 123 -15.800 4.157 -9.431 1.00 54.14 C ATOM 1925 C ASP A 123 -16.822 4.171 -8.277 1.00 51.22 C ATOM 1926 O ASP A 123 -17.948 4.657 -8.433 1.00 74.01 O ATOM 1927 CB ASP A 123 -15.705 2.756 -10.055 1.00 23.41 C ATOM 1928 CG ASP A 123 -17.030 2.261 -10.613 1.00 33.34 C ATOM 1929 OD1 ASP A 123 -17.813 1.653 -9.855 1.00 73.25 O ATOM 1930 OD2 ASP A 123 -17.288 2.462 -11.819 1.00 11.10 O ATOM 0 H ASP A 123 -13.768 3.838 -9.019 1.00 63.43 H new ATOM 0 HA ASP A 123 -16.141 4.862 -10.189 1.00 54.14 H new ATOM 0 HB2 ASP A 123 -14.964 2.770 -10.854 1.00 23.41 H new ATOM 0 HB3 ASP A 123 -15.349 2.053 -9.302 1.00 23.41 H new