USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ 131:sc= 1.29 (180deg=-0.089) USER MOD Set 1.2: A 93 ASN : amide:sc= 0 K(o=1.3,f=-1.3!) USER MOD Set 2.1: A 18 ASN : amide:sc= 0.857 K(o=1.7,f=-1.9) USER MOD Set 2.2: A 22 GLN : amide:sc= 0.802 K(o=1.7,f=-1.5) USER MOD Single : A 17 ASN : amide:sc= -0.416 K(o=-0.42,f=-4.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 29 SER OG : rot 68:sc= 0.41 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.16) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -27:sc= 1.24 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.138 F(o=-0.67!,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 85 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.17) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.11) USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= 1.24 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 11.528 -0.699 -3.857 1.00 0.00 N ATOM 191 CA ILE A 16 10.141 -0.266 -3.761 1.00 0.00 C ATOM 192 C ILE A 16 9.227 -1.442 -3.427 1.00 0.00 C ATOM 193 O ILE A 16 8.260 -1.300 -2.679 1.00 0.00 O ATOM 194 CB ILE A 16 9.657 0.378 -5.078 1.00 0.00 C ATOM 195 CG1 ILE A 16 10.788 1.163 -5.748 1.00 0.00 C ATOM 196 CG2 ILE A 16 8.455 1.278 -4.826 1.00 0.00 C ATOM 197 CD1 ILE A 16 11.091 0.698 -7.157 1.00 0.00 C ATOM 0 HA ILE A 16 10.095 0.475 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 16 9.351 -0.421 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.522 2.220 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.690 1.074 -5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.129 1.722 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.642 0.689 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.732 2.068 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.902 1.297 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.388 -0.351 -7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.202 0.812 -7.777 1.00 0.00 H new ATOM 209 N ASN A 17 9.496 -2.588 -4.047 1.00 0.00 N ATOM 210 CA ASN A 17 8.652 -3.771 -3.884 1.00 0.00 C ATOM 211 C ASN A 17 8.594 -4.233 -2.427 1.00 0.00 C ATOM 212 O ASN A 17 7.613 -4.840 -2.003 1.00 0.00 O ATOM 213 CB ASN A 17 9.126 -4.914 -4.801 1.00 0.00 C ATOM 214 CG ASN A 17 10.507 -5.456 -4.457 1.00 0.00 C ATOM 215 OD1 ASN A 17 11.264 -4.855 -3.693 1.00 0.00 O ATOM 216 ND2 ASN A 17 10.850 -6.594 -5.043 1.00 0.00 N ATOM 0 H ASN A 17 10.293 -2.724 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 17 7.640 -3.490 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.404 -5.729 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.133 -4.559 -5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.768 -7.002 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.196 -7.062 -5.670 1.00 0.00 H new ATOM 223 N ASN A 18 9.637 -3.932 -1.664 1.00 0.00 N ATOM 224 CA ASN A 18 9.687 -4.309 -0.259 1.00 0.00 C ATOM 225 C ASN A 18 8.609 -3.577 0.530 1.00 0.00 C ATOM 226 O ASN A 18 7.795 -4.202 1.209 1.00 0.00 O ATOM 227 CB ASN A 18 11.068 -4.001 0.329 1.00 0.00 C ATOM 228 CG ASN A 18 11.247 -4.560 1.729 1.00 0.00 C ATOM 229 OD1 ASN A 18 10.907 -3.914 2.719 1.00 0.00 O ATOM 230 ND2 ASN A 18 11.796 -5.761 1.823 1.00 0.00 N ATOM 0 H ASN A 18 10.459 -3.428 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 18 9.505 -5.381 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.837 -4.415 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.216 -2.921 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.950 -6.181 2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.065 -6.266 0.979 1.00 0.00 H new ATOM 237 N TYR A 19 8.581 -2.255 0.394 1.00 0.00 N ATOM 238 CA TYR A 19 7.576 -1.434 1.060 1.00 0.00 C ATOM 239 C TYR A 19 6.176 -1.768 0.538 1.00 0.00 C ATOM 240 O TYR A 19 5.206 -1.785 1.297 1.00 0.00 O ATOM 241 CB TYR A 19 7.910 0.061 0.874 1.00 0.00 C ATOM 242 CG TYR A 19 6.863 0.877 0.137 1.00 0.00 C ATOM 243 CD1 TYR A 19 6.885 0.978 -1.248 1.00 0.00 C ATOM 244 CD2 TYR A 19 5.858 1.543 0.824 1.00 0.00 C ATOM 245 CE1 TYR A 19 5.938 1.716 -1.928 1.00 0.00 C ATOM 246 CE2 TYR A 19 4.905 2.285 0.152 1.00 0.00 C ATOM 247 CZ TYR A 19 4.950 2.365 -1.223 1.00 0.00 C ATOM 248 OH TYR A 19 3.999 3.096 -1.895 1.00 0.00 O ATOM 0 H TYR A 19 9.245 -1.728 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 19 7.586 -1.652 2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.067 0.506 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.854 0.140 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.659 0.469 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.820 1.481 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.972 1.784 -3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.130 2.799 0.701 1.00 0.00 H new ATOM 0 HH TYR A 19 3.374 3.490 -1.251 1.00 0.00 H new ATOM 258 N ALA A 20 6.080 -2.027 -0.763 1.00 0.00 N ATOM 259 CA ALA A 20 4.804 -2.345 -1.389 1.00 0.00 C ATOM 260 C ALA A 20 4.234 -3.651 -0.848 1.00 0.00 C ATOM 261 O ALA A 20 3.029 -3.768 -0.628 1.00 0.00 O ATOM 262 CB ALA A 20 4.963 -2.418 -2.901 1.00 0.00 C ATOM 0 H ALA A 20 6.873 -2.022 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 20 4.100 -1.549 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.002 -2.656 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.314 -1.457 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.687 -3.193 -3.154 1.00 0.00 H new ATOM 268 N GLY A 21 5.109 -4.625 -0.642 1.00 0.00 N ATOM 269 CA GLY A 21 4.689 -5.917 -0.136 1.00 0.00 C ATOM 270 C GLY A 21 4.102 -5.837 1.258 1.00 0.00 C ATOM 271 O GLY A 21 3.204 -6.603 1.604 1.00 0.00 O ATOM 0 H GLY A 21 6.110 -4.542 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.950 -6.345 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.543 -6.594 -0.128 1.00 0.00 H new ATOM 275 N GLN A 22 4.620 -4.920 2.062 1.00 0.00 N ATOM 276 CA GLN A 22 4.157 -4.759 3.433 1.00 0.00 C ATOM 277 C GLN A 22 2.719 -4.252 3.474 1.00 0.00 C ATOM 278 O GLN A 22 1.924 -4.687 4.310 1.00 0.00 O ATOM 279 CB GLN A 22 5.077 -3.803 4.188 1.00 0.00 C ATOM 280 CG GLN A 22 6.273 -4.495 4.819 1.00 0.00 C ATOM 281 CD GLN A 22 7.593 -3.861 4.422 1.00 0.00 C ATOM 282 OE1 GLN A 22 7.735 -2.640 4.422 1.00 0.00 O ATOM 283 NE2 GLN A 22 8.573 -4.683 4.096 1.00 0.00 N ATOM 0 H GLN A 22 5.362 -4.275 1.789 1.00 0.00 H new ATOM 0 HA GLN A 22 4.182 -5.735 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.431 -3.033 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.505 -3.298 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.173 -4.467 5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.276 -5.545 4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.418 -5.691 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.485 -4.310 3.833 1.00 0.00 H new ATOM 292 N ILE A 23 2.387 -3.341 2.561 1.00 0.00 N ATOM 293 CA ILE A 23 1.039 -2.781 2.488 1.00 0.00 C ATOM 294 C ILE A 23 0.013 -3.865 2.175 1.00 0.00 C ATOM 295 O ILE A 23 -1.122 -3.819 2.653 1.00 0.00 O ATOM 296 CB ILE A 23 0.924 -1.676 1.410 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.159 -0.776 1.414 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.330 -0.843 1.633 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.334 0.010 0.132 1.00 0.00 C ATOM 0 H ILE A 23 3.033 -2.975 1.862 1.00 0.00 H new ATOM 0 HA ILE A 23 0.838 -2.344 3.466 1.00 0.00 H new ATOM 0 HB ILE A 23 0.857 -2.162 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.090 -0.081 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.045 -1.388 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.395 -0.071 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.209 -1.486 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.286 -0.375 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.229 0.628 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.434 -0.679 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.465 0.648 -0.025 1.00 0.00 H new ATOM 311 N LYS A 24 0.416 -4.819 1.344 1.00 0.00 N ATOM 312 CA LYS A 24 -0.469 -5.897 0.922 1.00 0.00 C ATOM 313 C LYS A 24 -0.987 -6.686 2.122 1.00 0.00 C ATOM 314 O LYS A 24 -2.189 -6.919 2.246 1.00 0.00 O ATOM 315 CB LYS A 24 0.244 -6.840 -0.054 1.00 0.00 C ATOM 316 CG LYS A 24 1.130 -6.134 -1.074 1.00 0.00 C ATOM 317 CD LYS A 24 0.331 -5.617 -2.261 1.00 0.00 C ATOM 318 CE LYS A 24 1.169 -4.704 -3.147 1.00 0.00 C ATOM 319 NZ LYS A 24 1.383 -5.277 -4.505 1.00 0.00 N ATOM 0 H LYS A 24 1.355 -4.867 0.948 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.319 -5.442 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.854 -7.541 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.505 -7.428 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.645 -5.302 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.898 -6.823 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.035 -6.459 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.544 -5.074 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.676 -3.736 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.135 -4.527 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.958 -4.621 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.877 -6.189 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.464 -5.422 -4.970 1.00 0.00 H new ATOM 333 N SER A 25 -0.078 -7.103 2.992 1.00 0.00 N ATOM 334 CA SER A 25 -0.450 -7.883 4.164 1.00 0.00 C ATOM 335 C SER A 25 -1.071 -7.004 5.249 1.00 0.00 C ATOM 336 O SER A 25 -1.949 -7.453 5.985 1.00 0.00 O ATOM 337 CB SER A 25 0.780 -8.605 4.708 1.00 0.00 C ATOM 338 OG SER A 25 1.701 -8.873 3.664 1.00 0.00 O ATOM 0 H SER A 25 0.921 -6.915 2.909 1.00 0.00 H new ATOM 0 HA SER A 25 -1.201 -8.614 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.258 -7.995 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.480 -9.538 5.185 1.00 0.00 H new ATOM 0 HG SER A 25 2.485 -9.334 4.029 1.00 0.00 H new ATOM 344 N ALA A 26 -0.617 -5.758 5.340 1.00 0.00 N ATOM 345 CA ALA A 26 -1.132 -4.823 6.334 1.00 0.00 C ATOM 346 C ALA A 26 -2.631 -4.620 6.174 1.00 0.00 C ATOM 347 O ALA A 26 -3.387 -4.672 7.143 1.00 0.00 O ATOM 348 CB ALA A 26 -0.414 -3.485 6.231 1.00 0.00 C ATOM 0 H ALA A 26 0.108 -5.372 4.736 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.947 -5.251 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.811 -2.800 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.653 -3.630 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.568 -3.065 5.237 1.00 0.00 H new ATOM 354 N ILE A 27 -3.055 -4.378 4.944 1.00 0.00 N ATOM 355 CA ILE A 27 -4.461 -4.153 4.655 1.00 0.00 C ATOM 356 C ILE A 27 -5.245 -5.461 4.725 1.00 0.00 C ATOM 357 O ILE A 27 -6.420 -5.477 5.098 1.00 0.00 O ATOM 358 CB ILE A 27 -4.635 -3.491 3.270 1.00 0.00 C ATOM 359 CG1 ILE A 27 -3.952 -2.122 3.269 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.108 -3.356 2.903 1.00 0.00 C ATOM 361 CD1 ILE A 27 -3.976 -1.424 1.927 1.00 0.00 C ATOM 0 H ILE A 27 -2.444 -4.332 4.129 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.857 -3.476 5.412 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.168 -4.127 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.438 -1.484 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.916 -2.244 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.197 -2.887 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.568 -4.344 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.614 -2.741 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.473 -0.461 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.464 -2.040 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.009 -1.268 1.616 1.00 0.00 H new ATOM 373 N GLU A 28 -4.580 -6.558 4.382 1.00 0.00 N ATOM 374 CA GLU A 28 -5.199 -7.881 4.408 1.00 0.00 C ATOM 375 C GLU A 28 -5.630 -8.282 5.820 1.00 0.00 C ATOM 376 O GLU A 28 -6.597 -9.021 5.990 1.00 0.00 O ATOM 377 CB GLU A 28 -4.241 -8.928 3.833 1.00 0.00 C ATOM 378 CG GLU A 28 -4.636 -9.407 2.447 1.00 0.00 C ATOM 379 CD GLU A 28 -5.127 -10.839 2.446 1.00 0.00 C ATOM 380 OE1 GLU A 28 -6.268 -11.080 2.890 1.00 0.00 O ATOM 381 OE2 GLU A 28 -4.375 -11.730 1.995 1.00 0.00 O ATOM 0 H GLU A 28 -3.606 -6.558 4.080 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.095 -7.834 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.236 -8.507 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.201 -9.783 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.417 -8.758 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.780 -9.320 1.778 1.00 0.00 H new ATOM 388 N SER A 29 -4.932 -7.789 6.834 1.00 0.00 N ATOM 389 CA SER A 29 -5.292 -8.114 8.210 1.00 0.00 C ATOM 390 C SER A 29 -6.480 -7.276 8.677 1.00 0.00 C ATOM 391 O SER A 29 -7.036 -7.506 9.753 1.00 0.00 O ATOM 392 CB SER A 29 -4.103 -7.903 9.146 1.00 0.00 C ATOM 393 OG SER A 29 -3.013 -7.301 8.470 1.00 0.00 O ATOM 0 H SER A 29 -4.126 -7.172 6.735 1.00 0.00 H new ATOM 0 HA SER A 29 -5.577 -9.166 8.239 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.405 -7.275 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.791 -8.861 9.562 1.00 0.00 H new ATOM 0 HG SER A 29 -3.247 -6.381 8.226 1.00 0.00 H new ATOM 399 N LYS A 30 -6.864 -6.302 7.863 1.00 0.00 N ATOM 400 CA LYS A 30 -7.979 -5.426 8.191 1.00 0.00 C ATOM 401 C LYS A 30 -8.967 -5.347 7.028 1.00 0.00 C ATOM 402 O LYS A 30 -9.533 -4.286 6.753 1.00 0.00 O ATOM 403 CB LYS A 30 -7.466 -4.024 8.538 1.00 0.00 C ATOM 404 CG LYS A 30 -7.278 -3.795 10.029 1.00 0.00 C ATOM 405 CD LYS A 30 -5.850 -4.085 10.464 1.00 0.00 C ATOM 406 CE LYS A 30 -5.422 -3.193 11.616 1.00 0.00 C ATOM 407 NZ LYS A 30 -5.405 -3.928 12.910 1.00 0.00 N ATOM 0 H LYS A 30 -6.418 -6.099 6.968 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.496 -5.841 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.515 -3.859 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.167 -3.284 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.531 -2.764 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.965 -4.433 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.765 -5.130 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.176 -3.939 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.429 -2.790 11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.101 -2.344 11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.108 -3.284 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.358 -4.291 13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.738 -4.723 12.849 1.00 0.00 H new ATOM 421 N PHE A 31 -9.156 -6.463 6.331 1.00 0.00 N ATOM 422 CA PHE A 31 -10.061 -6.490 5.188 1.00 0.00 C ATOM 423 C PHE A 31 -11.518 -6.425 5.643 1.00 0.00 C ATOM 424 O PHE A 31 -12.005 -7.294 6.365 1.00 0.00 O ATOM 425 CB PHE A 31 -9.816 -7.733 4.299 1.00 0.00 C ATOM 426 CG PHE A 31 -10.337 -9.024 4.871 1.00 0.00 C ATOM 427 CD1 PHE A 31 -9.698 -9.641 5.934 1.00 0.00 C ATOM 428 CD2 PHE A 31 -11.472 -9.617 4.341 1.00 0.00 C ATOM 429 CE1 PHE A 31 -10.182 -10.821 6.460 1.00 0.00 C ATOM 430 CE2 PHE A 31 -11.961 -10.799 4.863 1.00 0.00 C ATOM 431 CZ PHE A 31 -11.315 -11.402 5.925 1.00 0.00 C ATOM 0 H PHE A 31 -8.700 -7.352 6.535 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.853 -5.607 4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.282 -7.567 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.745 -7.834 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.810 -9.193 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.980 -9.150 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.675 -11.290 7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.847 -11.251 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.695 -12.326 6.336 1.00 0.00 H new ATOM 544 N LYS A 40 -13.889 -7.311 -8.352 1.00 0.00 N ATOM 545 CA LYS A 40 -13.695 -5.897 -8.627 1.00 0.00 C ATOM 546 C LYS A 40 -12.234 -5.499 -8.461 1.00 0.00 C ATOM 547 O LYS A 40 -11.465 -6.185 -7.785 1.00 0.00 O ATOM 548 CB LYS A 40 -14.559 -5.058 -7.685 1.00 0.00 C ATOM 549 CG LYS A 40 -15.994 -4.906 -8.153 1.00 0.00 C ATOM 550 CD LYS A 40 -16.104 -3.931 -9.313 1.00 0.00 C ATOM 551 CE LYS A 40 -17.523 -3.875 -9.849 1.00 0.00 C ATOM 552 NZ LYS A 40 -18.316 -2.791 -9.213 1.00 0.00 N ATOM 0 HA LYS A 40 -13.989 -5.713 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.555 -5.516 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.113 -4.069 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.383 -5.878 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.612 -4.559 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.796 -2.938 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.423 -4.231 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.497 -3.720 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.014 -4.833 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.273 -2.777 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.377 -2.961 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.853 -1.876 -9.385 1.00 0.00 H new ATOM 566 N THR A 41 -11.894 -4.343 -9.005 1.00 0.00 N ATOM 567 CA THR A 41 -10.567 -3.769 -8.853 1.00 0.00 C ATOM 568 C THR A 41 -10.690 -2.373 -8.246 1.00 0.00 C ATOM 569 O THR A 41 -11.791 -1.817 -8.219 1.00 0.00 O ATOM 570 CB THR A 41 -9.851 -3.694 -10.213 1.00 0.00 C ATOM 571 OG1 THR A 41 -10.632 -4.382 -11.203 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.472 -4.325 -10.128 1.00 0.00 C ATOM 0 H THR A 41 -12.530 -3.775 -9.565 1.00 0.00 H new ATOM 0 HA THR A 41 -9.977 -4.404 -8.192 1.00 0.00 H new ATOM 0 HB THR A 41 -9.739 -2.646 -10.491 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.178 -4.333 -12.070 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.982 -4.262 -11.100 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.875 -3.796 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.568 -5.371 -9.837 1.00 0.00 H new ATOM 580 N CYS A 42 -9.603 -1.832 -7.703 1.00 0.00 N ATOM 581 CA CYS A 42 -9.669 -0.532 -7.045 1.00 0.00 C ATOM 582 C CYS A 42 -8.306 0.141 -6.956 1.00 0.00 C ATOM 583 O CYS A 42 -7.490 -0.187 -6.094 1.00 0.00 O ATOM 584 CB CYS A 42 -10.265 -0.676 -5.646 1.00 0.00 C ATOM 585 SG CYS A 42 -11.928 0.052 -5.484 1.00 0.00 S ATOM 0 H CYS A 42 -8.680 -2.266 -7.705 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.311 0.103 -7.656 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.314 -1.734 -5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.598 -0.202 -4.925 1.00 0.00 H new ATOM 590 N THR A 43 -8.120 1.168 -7.766 1.00 0.00 N ATOM 591 CA THR A 43 -6.927 1.989 -7.694 1.00 0.00 C ATOM 592 C THR A 43 -7.132 3.111 -6.678 1.00 0.00 C ATOM 593 O THR A 43 -8.190 3.741 -6.654 1.00 0.00 O ATOM 594 CB THR A 43 -6.596 2.601 -9.068 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.816 1.635 -10.106 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.159 3.094 -9.114 1.00 0.00 C ATOM 0 H THR A 43 -8.785 1.454 -8.485 1.00 0.00 H new ATOM 0 HA THR A 43 -6.096 1.355 -7.384 1.00 0.00 H new ATOM 0 HB THR A 43 -7.256 3.454 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.703 0.732 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.952 3.521 -10.095 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.011 3.855 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.482 2.259 -8.932 1.00 0.00 H new ATOM 604 N LEU A 44 -6.145 3.347 -5.829 1.00 0.00 N ATOM 605 CA LEU A 44 -6.251 4.380 -4.810 1.00 0.00 C ATOM 606 C LEU A 44 -5.064 5.326 -4.879 1.00 0.00 C ATOM 607 O LEU A 44 -3.914 4.902 -4.781 1.00 0.00 O ATOM 608 CB LEU A 44 -6.337 3.762 -3.409 1.00 0.00 C ATOM 609 CG LEU A 44 -6.911 2.348 -3.353 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.129 1.493 -2.368 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.386 2.386 -2.983 1.00 0.00 C ATOM 0 H LEU A 44 -5.261 2.838 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.165 4.942 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.338 3.748 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.949 4.410 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.819 1.898 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.552 0.489 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.086 1.439 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.187 1.937 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.779 1.370 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.504 2.855 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.934 2.961 -3.730 1.00 0.00 H new ATOM 623 N ARG A 45 -5.354 6.613 -4.972 1.00 0.00 N ATOM 624 CA ARG A 45 -4.326 7.641 -4.966 1.00 0.00 C ATOM 625 C ARG A 45 -3.888 7.921 -3.535 1.00 0.00 C ATOM 626 O ARG A 45 -4.588 8.602 -2.783 1.00 0.00 O ATOM 627 CB ARG A 45 -4.856 8.924 -5.618 1.00 0.00 C ATOM 628 CG ARG A 45 -3.776 9.794 -6.241 1.00 0.00 C ATOM 629 CD ARG A 45 -4.362 11.076 -6.812 1.00 0.00 C ATOM 630 NE ARG A 45 -4.594 10.975 -8.251 1.00 0.00 N ATOM 631 CZ ARG A 45 -3.917 11.662 -9.170 1.00 0.00 C ATOM 632 NH1 ARG A 45 -3.012 12.565 -8.807 1.00 0.00 N ATOM 633 NH2 ARG A 45 -4.159 11.453 -10.457 1.00 0.00 N ATOM 0 H ARG A 45 -6.305 6.974 -5.053 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.468 7.289 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.580 8.656 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.389 9.507 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.024 10.038 -5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.270 9.239 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.302 11.302 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.685 11.906 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.322 10.337 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.831 12.737 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.498 13.086 -9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.861 10.769 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.643 11.976 -11.164 1.00 0.00 H new ATOM 647 N ILE A 46 -2.785 7.312 -3.132 1.00 0.00 N ATOM 648 CA ILE A 46 -2.323 7.419 -1.757 1.00 0.00 C ATOM 649 C ILE A 46 -1.112 8.336 -1.644 1.00 0.00 C ATOM 650 O ILE A 46 -0.282 8.419 -2.555 1.00 0.00 O ATOM 651 CB ILE A 46 -1.990 6.032 -1.148 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.619 5.533 -1.614 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.069 5.021 -1.504 1.00 0.00 C ATOM 654 CD1 ILE A 46 0.137 4.764 -0.552 1.00 0.00 C ATOM 0 H ILE A 46 -2.194 6.740 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.145 7.854 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.956 6.144 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.751 4.895 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.019 6.386 -1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.819 4.054 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.028 5.359 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.134 4.925 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.098 4.441 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.301 5.405 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.443 3.891 -0.253 1.00 0.00 H new ATOM 666 N LYS A 47 -1.007 8.994 -0.503 1.00 0.00 N ATOM 667 CA LYS A 47 0.109 9.875 -0.216 1.00 0.00 C ATOM 668 C LYS A 47 0.728 9.471 1.118 1.00 0.00 C ATOM 669 O LYS A 47 0.090 9.621 2.166 1.00 0.00 O ATOM 670 CB LYS A 47 -0.367 11.329 -0.125 1.00 0.00 C ATOM 671 CG LYS A 47 -0.306 12.094 -1.433 1.00 0.00 C ATOM 672 CD LYS A 47 -0.636 13.562 -1.218 1.00 0.00 C ATOM 673 CE LYS A 47 -1.090 14.231 -2.504 1.00 0.00 C ATOM 674 NZ LYS A 47 -2.438 13.764 -2.925 1.00 0.00 N ATOM 0 H LYS A 47 -1.693 8.932 0.249 1.00 0.00 H new ATOM 0 HA LYS A 47 0.843 9.792 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.394 11.340 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.240 11.851 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.689 12.001 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.007 11.660 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.419 13.652 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.241 14.079 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.107 15.312 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.370 14.023 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.037 14.585 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.349 13.165 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.871 13.215 -2.155 1.00 0.00 H new ATOM 688 N LEU A 48 1.922 8.901 1.093 1.00 0.00 N ATOM 689 CA LEU A 48 2.541 8.423 2.324 1.00 0.00 C ATOM 690 C LEU A 48 3.491 9.457 2.915 1.00 0.00 C ATOM 691 O LEU A 48 4.104 10.249 2.198 1.00 0.00 O ATOM 692 CB LEU A 48 3.283 7.104 2.093 1.00 0.00 C ATOM 693 CG LEU A 48 2.526 5.849 2.535 1.00 0.00 C ATOM 694 CD1 LEU A 48 3.199 4.601 1.990 1.00 0.00 C ATOM 695 CD2 LEU A 48 2.443 5.785 4.051 1.00 0.00 C ATOM 0 H LEU A 48 2.477 8.758 0.249 1.00 0.00 H new ATOM 0 HA LEU A 48 1.736 8.252 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.514 7.016 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.234 7.142 2.624 1.00 0.00 H new ATOM 0 HG LEU A 48 1.514 5.899 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.647 3.719 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.212 4.641 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.222 4.547 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.902 4.887 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.449 5.758 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.919 6.665 4.424 1.00 0.00 H new ATOM 707 N ALA A 49 3.612 9.427 4.233 1.00 0.00 N ATOM 708 CA ALA A 49 4.489 10.334 4.955 1.00 0.00 C ATOM 709 C ALA A 49 5.665 9.566 5.564 1.00 0.00 C ATOM 710 O ALA A 49 5.603 8.341 5.700 1.00 0.00 O ATOM 711 CB ALA A 49 3.701 11.053 6.039 1.00 0.00 C ATOM 0 H ALA A 49 3.106 8.774 4.831 1.00 0.00 H new ATOM 0 HA ALA A 49 4.889 11.073 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.361 11.732 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.890 11.621 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.287 10.322 6.733 1.00 0.00 H new ATOM 717 N PRO A 50 6.763 10.267 5.925 1.00 0.00 N ATOM 718 CA PRO A 50 7.967 9.642 6.500 1.00 0.00 C ATOM 719 C PRO A 50 7.693 8.900 7.810 1.00 0.00 C ATOM 720 O PRO A 50 8.496 8.073 8.242 1.00 0.00 O ATOM 721 CB PRO A 50 8.912 10.826 6.753 1.00 0.00 C ATOM 722 CG PRO A 50 8.041 12.033 6.739 1.00 0.00 C ATOM 723 CD PRO A 50 6.932 11.723 5.776 1.00 0.00 C ATOM 0 HA PRO A 50 8.373 8.885 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.425 10.722 7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.681 10.887 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.648 12.244 7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.599 12.915 6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.018 12.263 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.196 11.996 4.754 1.00 0.00 H new ATOM 731 N ASP A 51 6.555 9.192 8.433 1.00 0.00 N ATOM 732 CA ASP A 51 6.177 8.545 9.689 1.00 0.00 C ATOM 733 C ASP A 51 5.482 7.211 9.433 1.00 0.00 C ATOM 734 O ASP A 51 5.112 6.503 10.370 1.00 0.00 O ATOM 735 CB ASP A 51 5.259 9.454 10.509 1.00 0.00 C ATOM 736 CG ASP A 51 5.780 9.698 11.914 1.00 0.00 C ATOM 737 OD1 ASP A 51 6.647 8.928 12.382 1.00 0.00 O ATOM 738 OD2 ASP A 51 5.333 10.672 12.556 1.00 0.00 O ATOM 0 H ASP A 51 5.877 9.873 8.090 1.00 0.00 H new ATOM 0 HA ASP A 51 7.092 8.359 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.148 10.409 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.267 9.006 10.566 1.00 0.00 H new ATOM 743 N GLY A 52 5.343 6.856 8.157 1.00 0.00 N ATOM 744 CA GLY A 52 4.741 5.585 7.792 1.00 0.00 C ATOM 745 C GLY A 52 3.228 5.603 7.880 1.00 0.00 C ATOM 746 O GLY A 52 2.594 4.572 8.092 1.00 0.00 O ATOM 0 H GLY A 52 5.638 7.429 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.038 5.327 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.129 4.804 8.446 1.00 0.00 H new ATOM 750 N MET A 53 2.644 6.766 7.664 1.00 0.00 N ATOM 751 CA MET A 53 1.198 6.898 7.665 1.00 0.00 C ATOM 752 C MET A 53 0.753 7.694 6.452 1.00 0.00 C ATOM 753 O MET A 53 1.452 8.614 6.020 1.00 0.00 O ATOM 754 CB MET A 53 0.715 7.576 8.949 1.00 0.00 C ATOM 755 CG MET A 53 1.484 8.836 9.302 1.00 0.00 C ATOM 756 SD MET A 53 0.940 9.560 10.859 1.00 0.00 S ATOM 757 CE MET A 53 1.727 11.165 10.775 1.00 0.00 C ATOM 0 H MET A 53 3.148 7.634 7.485 1.00 0.00 H new ATOM 0 HA MET A 53 0.758 5.902 7.621 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.341 7.824 8.843 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.795 6.869 9.775 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.547 8.604 9.364 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.364 9.567 8.503 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.485 11.736 11.671 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.807 11.037 10.707 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.369 11.700 9.896 1.00 0.00 H new ATOM 767 N LEU A 54 -0.385 7.329 5.888 1.00 0.00 N ATOM 768 CA LEU A 54 -0.899 8.003 4.706 1.00 0.00 C ATOM 769 C LEU A 54 -1.782 9.174 5.107 1.00 0.00 C ATOM 770 O LEU A 54 -2.855 8.988 5.677 1.00 0.00 O ATOM 771 CB LEU A 54 -1.680 7.030 3.815 1.00 0.00 C ATOM 772 CG LEU A 54 -1.886 5.633 4.399 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.316 5.461 4.882 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.535 4.569 3.369 1.00 0.00 C ATOM 0 H LEU A 54 -0.973 6.568 6.229 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.050 8.381 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.657 7.464 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.157 6.935 2.863 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.221 5.515 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.443 4.460 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.531 6.201 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.002 5.598 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.687 3.580 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.174 4.685 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.492 4.679 3.073 1.00 0.00 H new ATOM 786 N LEU A 55 -1.316 10.379 4.818 1.00 0.00 N ATOM 787 CA LEU A 55 -2.062 11.585 5.159 1.00 0.00 C ATOM 788 C LEU A 55 -3.243 11.757 4.216 1.00 0.00 C ATOM 789 O LEU A 55 -4.289 12.287 4.595 1.00 0.00 O ATOM 790 CB LEU A 55 -1.167 12.826 5.093 1.00 0.00 C ATOM 791 CG LEU A 55 0.336 12.556 5.004 1.00 0.00 C ATOM 792 CD1 LEU A 55 0.836 12.758 3.580 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.094 13.455 5.970 1.00 0.00 C ATOM 0 H LEU A 55 -0.427 10.550 4.349 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.426 11.475 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.463 13.419 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.356 13.435 5.977 1.00 0.00 H new ATOM 0 HG LEU A 55 0.516 11.518 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.907 12.561 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.315 12.073 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.644 13.785 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.162 13.251 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.905 14.499 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.758 13.260 6.988 1.00 0.00 H new ATOM 805 N ASP A 56 -3.074 11.288 2.989 1.00 0.00 N ATOM 806 CA ASP A 56 -4.125 11.367 1.988 1.00 0.00 C ATOM 807 C ASP A 56 -4.278 10.030 1.282 1.00 0.00 C ATOM 808 O ASP A 56 -3.288 9.376 0.956 1.00 0.00 O ATOM 809 CB ASP A 56 -3.811 12.470 0.972 1.00 0.00 C ATOM 810 CG ASP A 56 -4.745 12.452 -0.224 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.975 12.394 -0.022 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.251 12.501 -1.370 1.00 0.00 O ATOM 0 H ASP A 56 -2.214 10.847 2.662 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.064 11.610 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.877 13.440 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.783 12.357 0.626 1.00 0.00 H new ATOM 817 N ILE A 57 -5.514 9.643 1.030 1.00 0.00 N ATOM 818 CA ILE A 57 -5.806 8.404 0.333 1.00 0.00 C ATOM 819 C ILE A 57 -7.177 8.499 -0.330 1.00 0.00 C ATOM 820 O ILE A 57 -8.205 8.598 0.339 1.00 0.00 O ATOM 821 CB ILE A 57 -5.731 7.177 1.284 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.155 5.899 0.553 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.579 7.389 2.534 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.546 4.638 1.131 1.00 0.00 C ATOM 0 H ILE A 57 -6.341 10.175 1.301 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.047 8.256 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.694 7.066 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.241 5.815 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.873 5.980 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.504 6.512 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.220 8.266 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.619 7.540 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.891 3.774 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.459 4.700 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.849 4.532 2.173 1.00 0.00 H new ATOM 836 N LYS A 58 -7.169 8.632 -1.645 1.00 0.00 N ATOM 837 CA LYS A 58 -8.392 8.895 -2.386 1.00 0.00 C ATOM 838 C LYS A 58 -8.618 7.844 -3.462 1.00 0.00 C ATOM 839 O LYS A 58 -7.712 7.534 -4.233 1.00 0.00 O ATOM 840 CB LYS A 58 -8.324 10.281 -3.032 1.00 0.00 C ATOM 841 CG LYS A 58 -9.501 11.179 -2.690 1.00 0.00 C ATOM 842 CD LYS A 58 -9.125 12.226 -1.655 1.00 0.00 C ATOM 843 CE LYS A 58 -9.175 11.662 -0.244 1.00 0.00 C ATOM 844 NZ LYS A 58 -10.557 11.629 0.298 1.00 0.00 N ATOM 0 H LYS A 58 -6.331 8.562 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.226 8.857 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.402 10.772 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.271 10.164 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.857 11.672 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.324 10.573 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.122 12.600 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.804 13.075 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.762 10.653 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.545 12.265 0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.543 11.237 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.944 12.594 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.154 11.032 -0.309 1.00 0.00 H new ATOM 858 N PRO A 59 -9.845 7.316 -3.566 1.00 0.00 N ATOM 859 CA PRO A 59 -10.195 6.342 -4.598 1.00 0.00 C ATOM 860 C PRO A 59 -10.009 6.915 -5.996 1.00 0.00 C ATOM 861 O PRO A 59 -10.559 7.967 -6.330 1.00 0.00 O ATOM 862 CB PRO A 59 -11.675 6.038 -4.341 1.00 0.00 C ATOM 863 CG PRO A 59 -11.938 6.513 -2.952 1.00 0.00 C ATOM 864 CD PRO A 59 -10.999 7.665 -2.727 1.00 0.00 C ATOM 0 HA PRO A 59 -9.561 5.456 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.313 6.552 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.880 4.972 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.976 6.826 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.762 5.718 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.444 8.614 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.721 7.761 -1.677 1.00 0.00 H new ATOM 872 N GLU A 60 -9.236 6.215 -6.808 1.00 0.00 N ATOM 873 CA GLU A 60 -8.977 6.640 -8.171 1.00 0.00 C ATOM 874 C GLU A 60 -10.056 6.099 -9.089 1.00 0.00 C ATOM 875 O GLU A 60 -10.912 6.842 -9.577 1.00 0.00 O ATOM 876 CB GLU A 60 -7.608 6.139 -8.627 1.00 0.00 C ATOM 877 CG GLU A 60 -6.521 7.188 -8.534 1.00 0.00 C ATOM 878 CD GLU A 60 -6.782 8.363 -9.444 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.127 8.142 -10.624 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.648 9.513 -8.987 1.00 0.00 O ATOM 0 H GLU A 60 -8.775 5.344 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.984 7.729 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.324 5.278 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.681 5.793 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.444 7.538 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.562 6.738 -8.790 1.00 0.00 H new ATOM 887 N GLY A 61 -10.046 4.793 -9.260 1.00 0.00 N ATOM 888 CA GLY A 61 -11.059 4.140 -10.051 1.00 0.00 C ATOM 889 C GLY A 61 -11.287 2.721 -9.587 1.00 0.00 C ATOM 890 O GLY A 61 -10.327 1.986 -9.339 1.00 0.00 O ATOM 0 H GLY A 61 -9.347 4.167 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.992 4.700 -9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.760 4.139 -11.099 1.00 0.00 H new ATOM 894 N GLY A 62 -12.546 2.341 -9.442 1.00 0.00 N ATOM 895 CA GLY A 62 -12.868 1.008 -8.979 1.00 0.00 C ATOM 896 C GLY A 62 -14.222 0.949 -8.304 1.00 0.00 C ATOM 897 O GLY A 62 -15.062 1.828 -8.510 1.00 0.00 O ATOM 0 H GLY A 62 -13.353 2.933 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.854 0.319 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.101 0.672 -8.281 1.00 0.00 H new ATOM 901 N ASP A 63 -14.425 -0.076 -7.489 1.00 0.00 N ATOM 902 CA ASP A 63 -15.678 -0.254 -6.764 1.00 0.00 C ATOM 903 C ASP A 63 -15.737 0.668 -5.554 1.00 0.00 C ATOM 904 O ASP A 63 -14.831 0.664 -4.722 1.00 0.00 O ATOM 905 CB ASP A 63 -15.825 -1.702 -6.302 1.00 0.00 C ATOM 906 CG ASP A 63 -17.227 -2.024 -5.827 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.586 -1.639 -4.695 1.00 0.00 O ATOM 908 OD2 ASP A 63 -17.976 -2.672 -6.582 1.00 0.00 O ATOM 0 H ASP A 63 -13.733 -0.804 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.495 -0.005 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.561 -2.369 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.119 -1.895 -5.494 1.00 0.00 H new ATOM 913 N PRO A 64 -16.801 1.476 -5.442 1.00 0.00 N ATOM 914 CA PRO A 64 -16.974 2.417 -4.330 1.00 0.00 C ATOM 915 C PRO A 64 -16.862 1.745 -2.962 1.00 0.00 C ATOM 916 O PRO A 64 -16.327 2.325 -2.017 1.00 0.00 O ATOM 917 CB PRO A 64 -18.391 2.957 -4.540 1.00 0.00 C ATOM 918 CG PRO A 64 -18.646 2.794 -5.997 1.00 0.00 C ATOM 919 CD PRO A 64 -17.921 1.541 -6.399 1.00 0.00 C ATOM 0 HA PRO A 64 -16.200 3.185 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.118 2.403 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.465 4.002 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.714 2.711 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.280 3.655 -6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.564 0.664 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.568 1.593 -7.429 1.00 0.00 H new ATOM 927 N ALA A 65 -17.378 0.525 -2.856 1.00 0.00 N ATOM 928 CA ALA A 65 -17.349 -0.211 -1.599 1.00 0.00 C ATOM 929 C ALA A 65 -15.960 -0.773 -1.321 1.00 0.00 C ATOM 930 O ALA A 65 -15.460 -0.684 -0.198 1.00 0.00 O ATOM 931 CB ALA A 65 -18.382 -1.327 -1.614 1.00 0.00 C ATOM 0 H ALA A 65 -17.822 0.025 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.596 0.484 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.348 -1.867 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.376 -0.901 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.164 -2.014 -2.432 1.00 0.00 H new ATOM 937 N LEU A 66 -15.333 -1.336 -2.348 1.00 0.00 N ATOM 938 CA LEU A 66 -13.992 -1.896 -2.211 1.00 0.00 C ATOM 939 C LEU A 66 -12.982 -0.791 -1.919 1.00 0.00 C ATOM 940 O LEU A 66 -12.135 -0.927 -1.039 1.00 0.00 O ATOM 941 CB LEU A 66 -13.582 -2.657 -3.482 1.00 0.00 C ATOM 942 CG LEU A 66 -12.211 -3.346 -3.428 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.120 -4.274 -2.229 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.943 -4.114 -4.717 1.00 0.00 C ATOM 0 H LEU A 66 -15.731 -1.417 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.004 -2.597 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.340 -3.411 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.585 -1.959 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.449 -2.574 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.140 -4.751 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.261 -3.700 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.894 -5.038 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.966 -4.595 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.713 -4.873 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.957 -3.424 -5.561 1.00 0.00 H new ATOM 956 N CYS A 67 -13.058 0.287 -2.685 1.00 0.00 N ATOM 957 CA CYS A 67 -12.131 1.398 -2.545 1.00 0.00 C ATOM 958 C CYS A 67 -12.254 2.039 -1.167 1.00 0.00 C ATOM 959 O CYS A 67 -11.249 2.299 -0.510 1.00 0.00 O ATOM 960 CB CYS A 67 -12.376 2.435 -3.643 1.00 0.00 C ATOM 961 SG CYS A 67 -11.573 2.036 -5.235 1.00 0.00 S ATOM 0 H CYS A 67 -13.758 0.415 -3.415 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.117 1.012 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.450 2.532 -3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.016 3.405 -3.299 1.00 0.00 H new ATOM 966 N GLN A 68 -13.487 2.256 -0.717 1.00 0.00 N ATOM 967 CA GLN A 68 -13.731 2.833 0.604 1.00 0.00 C ATOM 968 C GLN A 68 -13.165 1.939 1.701 1.00 0.00 C ATOM 969 O GLN A 68 -12.553 2.419 2.658 1.00 0.00 O ATOM 970 CB GLN A 68 -15.227 3.040 0.827 1.00 0.00 C ATOM 971 CG GLN A 68 -15.586 4.444 1.289 1.00 0.00 C ATOM 972 CD GLN A 68 -15.712 5.429 0.140 1.00 0.00 C ATOM 973 OE1 GLN A 68 -16.278 4.986 -0.972 1.00 0.00 O flip ATOM 974 NE2 GLN A 68 -15.304 6.584 0.255 1.00 0.00 N flip ATOM 0 H GLN A 68 -14.332 2.042 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.227 3.798 0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.757 2.825 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.578 2.322 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.527 4.411 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.824 4.799 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.873 6.888 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.396 7.237 -0.523 1.00 0.00 H new ATOM 983 N ALA A 69 -13.353 0.634 1.540 1.00 0.00 N ATOM 984 CA ALA A 69 -12.848 -0.342 2.495 1.00 0.00 C ATOM 985 C ALA A 69 -11.324 -0.333 2.532 1.00 0.00 C ATOM 986 O ALA A 69 -10.716 -0.604 3.569 1.00 0.00 O ATOM 987 CB ALA A 69 -13.362 -1.732 2.147 1.00 0.00 C ATOM 0 H ALA A 69 -13.855 0.227 0.751 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.211 -0.069 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.978 -2.453 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.452 -1.735 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.025 -2.005 1.147 1.00 0.00 H new ATOM 993 N ALA A 70 -10.712 -0.031 1.395 1.00 0.00 N ATOM 994 CA ALA A 70 -9.262 0.003 1.293 1.00 0.00 C ATOM 995 C ALA A 70 -8.687 1.184 2.068 1.00 0.00 C ATOM 996 O ALA A 70 -7.723 1.024 2.815 1.00 0.00 O ATOM 997 CB ALA A 70 -8.833 0.055 -0.165 1.00 0.00 C ATOM 0 H ALA A 70 -11.200 0.194 0.528 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.868 -0.912 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.745 0.080 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.204 -0.828 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.242 0.950 -0.633 1.00 0.00 H new ATOM 1003 N LEU A 71 -9.297 2.360 1.915 1.00 0.00 N ATOM 1004 CA LEU A 71 -8.840 3.549 2.637 1.00 0.00 C ATOM 1005 C LEU A 71 -8.973 3.346 4.142 1.00 0.00 C ATOM 1006 O LEU A 71 -8.081 3.709 4.909 1.00 0.00 O ATOM 1007 CB LEU A 71 -9.619 4.808 2.225 1.00 0.00 C ATOM 1008 CG LEU A 71 -10.359 4.743 0.890 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -11.515 5.731 0.879 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.408 5.024 -0.265 1.00 0.00 C ATOM 0 H LEU A 71 -10.100 2.515 1.305 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.792 3.695 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.344 5.032 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.921 5.645 2.188 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.759 3.737 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.033 5.674 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.210 5.487 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.132 6.741 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.954 4.973 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.978 6.019 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.610 4.282 -0.268 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.087 2.753 4.556 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.337 2.488 5.967 1.00 0.00 C ATOM 1024 C ALA A 72 -9.300 1.523 6.533 1.00 0.00 C ATOM 1025 O ALA A 72 -8.748 1.749 7.611 1.00 0.00 O ATOM 1026 CB ALA A 72 -11.739 1.930 6.152 1.00 0.00 C ATOM 0 H ALA A 72 -10.833 2.446 3.932 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.256 3.428 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.916 1.735 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.469 2.653 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.838 1.001 5.590 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.047 0.447 5.799 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.086 -0.564 6.220 1.00 0.00 C ATOM 1034 C ALA A 73 -6.671 -0.005 6.267 1.00 0.00 C ATOM 1035 O ALA A 73 -5.920 -0.283 7.199 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.144 -1.767 5.292 1.00 0.00 C ATOM 0 H ALA A 73 -9.497 0.252 4.905 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.355 -0.877 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.421 -2.514 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.145 -2.197 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.908 -1.454 4.275 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.302 0.763 5.250 1.00 0.00 N ATOM 1043 CA ALA A 74 -4.964 1.335 5.168 1.00 0.00 C ATOM 1044 C ALA A 74 -4.713 2.316 6.309 1.00 0.00 C ATOM 1045 O ALA A 74 -3.601 2.418 6.820 1.00 0.00 O ATOM 1046 CB ALA A 74 -4.766 2.018 3.826 1.00 0.00 C ATOM 0 H ALA A 74 -6.912 1.005 4.469 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.242 0.524 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.763 2.441 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.892 1.290 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.501 2.814 3.711 1.00 0.00 H new ATOM 1052 N LYS A 75 -5.766 3.012 6.727 1.00 0.00 N ATOM 1053 CA LYS A 75 -5.669 3.955 7.835 1.00 0.00 C ATOM 1054 C LYS A 75 -5.623 3.217 9.169 1.00 0.00 C ATOM 1055 O LYS A 75 -5.081 3.722 10.155 1.00 0.00 O ATOM 1056 CB LYS A 75 -6.854 4.924 7.820 1.00 0.00 C ATOM 1057 CG LYS A 75 -6.650 6.119 6.904 1.00 0.00 C ATOM 1058 CD LYS A 75 -6.484 7.407 7.696 1.00 0.00 C ATOM 1059 CE LYS A 75 -5.041 7.886 7.682 1.00 0.00 C ATOM 1060 NZ LYS A 75 -4.797 8.951 8.689 1.00 0.00 N ATOM 0 H LYS A 75 -6.696 2.940 6.315 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.746 4.522 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.749 4.386 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.034 5.281 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.769 5.956 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.502 6.212 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.129 8.179 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.806 7.247 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.378 7.043 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.794 8.262 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.801 9.248 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.411 9.766 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.008 8.585 9.639 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.193 2.019 9.189 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.217 1.197 10.392 1.00 0.00 C ATOM 1076 C LEU A 76 -4.890 0.466 10.563 1.00 0.00 C ATOM 1077 O LEU A 76 -4.440 0.214 11.683 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.364 0.183 10.314 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.464 0.356 11.363 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -7.927 0.083 12.759 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.070 1.751 11.284 1.00 0.00 C ATOM 0 H LEU A 76 -6.647 1.593 8.381 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.373 1.847 11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.816 0.246 9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.947 -0.820 10.411 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.249 -0.370 11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.727 0.212 13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.550 -0.939 12.811 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.118 0.779 12.980 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.850 1.852 12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.294 2.495 11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.500 1.905 10.295 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.280 0.112 9.440 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.017 -0.608 9.443 1.00 0.00 C ATOM 1095 C ALA A 77 -1.844 0.346 9.637 1.00 0.00 C ATOM 1096 O ALA A 77 -1.988 1.562 9.504 1.00 0.00 O ATOM 1097 CB ALA A 77 -2.861 -1.391 8.146 1.00 0.00 C ATOM 0 H ALA A 77 -4.644 0.314 8.509 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.021 -1.307 10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.912 -1.927 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.680 -2.104 8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.879 -0.703 7.301 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.678 -0.210 9.923 1.00 0.00 N ATOM 1104 CA LYS A 78 0.521 0.588 10.099 1.00 0.00 C ATOM 1105 C LYS A 78 1.531 0.261 9.010 1.00 0.00 C ATOM 1106 O LYS A 78 2.045 -0.856 8.944 1.00 0.00 O ATOM 1107 CB LYS A 78 1.131 0.335 11.481 1.00 0.00 C ATOM 1108 CG LYS A 78 2.170 1.369 11.886 1.00 0.00 C ATOM 1109 CD LYS A 78 3.534 0.734 12.100 1.00 0.00 C ATOM 1110 CE LYS A 78 4.443 1.631 12.927 1.00 0.00 C ATOM 1111 NZ LYS A 78 4.930 0.943 14.153 1.00 0.00 N ATOM 0 H LYS A 78 -0.538 -1.214 10.038 1.00 0.00 H new ATOM 0 HA LYS A 78 0.254 1.642 10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.334 0.323 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.591 -0.653 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.242 2.136 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.852 1.867 12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.415 -0.226 12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.999 0.534 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.295 1.942 12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.904 2.536 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.546 1.586 14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.118 0.668 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.466 0.093 13.884 1.00 0.00 H new ATOM 1125 N ILE A 79 1.822 1.242 8.172 1.00 0.00 N ATOM 1126 CA ILE A 79 2.787 1.068 7.099 1.00 0.00 C ATOM 1127 C ILE A 79 4.189 1.376 7.606 1.00 0.00 C ATOM 1128 O ILE A 79 4.430 2.443 8.170 1.00 0.00 O ATOM 1129 CB ILE A 79 2.464 1.981 5.891 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.983 1.869 5.502 1.00 0.00 C ATOM 1131 CG2 ILE A 79 3.358 1.640 4.704 1.00 0.00 C ATOM 1132 CD1 ILE A 79 0.552 0.469 5.115 1.00 0.00 C ATOM 0 H ILE A 79 1.402 2.171 8.214 1.00 0.00 H new ATOM 0 HA ILE A 79 2.732 0.031 6.768 1.00 0.00 H new ATOM 0 HB ILE A 79 2.661 3.012 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.372 2.208 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.785 2.543 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.115 2.293 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.402 1.781 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.197 0.602 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.506 0.473 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.136 0.132 4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.716 -0.207 5.954 1.00 0.00 H new ATOM 1144 N PRO A 80 5.128 0.437 7.436 1.00 0.00 N ATOM 1145 CA PRO A 80 6.506 0.616 7.889 1.00 0.00 C ATOM 1146 C PRO A 80 7.139 1.866 7.289 1.00 0.00 C ATOM 1147 O PRO A 80 7.140 2.050 6.069 1.00 0.00 O ATOM 1148 CB PRO A 80 7.218 -0.643 7.387 1.00 0.00 C ATOM 1149 CG PRO A 80 6.134 -1.650 7.229 1.00 0.00 C ATOM 1150 CD PRO A 80 4.920 -0.877 6.804 1.00 0.00 C ATOM 0 HA PRO A 80 6.571 0.747 8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.729 -0.459 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.973 -0.981 8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.401 -2.399 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.953 -2.180 8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.851 -0.797 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.000 -1.349 7.148 1.00 0.00 H new ATOM 1158 N LYS A 81 7.640 2.734 8.162 1.00 0.00 N ATOM 1159 CA LYS A 81 8.244 3.985 7.758 1.00 0.00 C ATOM 1160 C LYS A 81 9.378 3.740 6.764 1.00 0.00 C ATOM 1161 O LYS A 81 10.025 2.692 6.815 1.00 0.00 O ATOM 1162 CB LYS A 81 8.759 4.723 8.994 1.00 0.00 C ATOM 1163 CG LYS A 81 8.330 4.099 10.315 1.00 0.00 C ATOM 1164 CD LYS A 81 9.464 4.096 11.328 1.00 0.00 C ATOM 1165 CE LYS A 81 8.935 4.092 12.753 1.00 0.00 C ATOM 1166 NZ LYS A 81 9.356 5.307 13.497 1.00 0.00 N ATOM 0 H LYS A 81 7.635 2.583 9.171 1.00 0.00 H new ATOM 0 HA LYS A 81 7.493 4.600 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.848 4.756 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.408 5.754 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.481 4.651 10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.993 3.077 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.093 3.220 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.093 4.973 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.847 4.033 12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.295 3.204 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.977 5.270 14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.395 5.350 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.991 6.153 13.015 1.00 0.00 H new ATOM 1180 N PRO A 82 9.554 4.664 5.798 1.00 0.00 N ATOM 1181 CA PRO A 82 10.513 4.559 4.696 1.00 0.00 C ATOM 1182 C PRO A 82 11.824 3.856 5.052 1.00 0.00 C ATOM 1183 O PRO A 82 12.739 4.466 5.611 1.00 0.00 O ATOM 1184 CB PRO A 82 10.786 6.029 4.335 1.00 0.00 C ATOM 1185 CG PRO A 82 9.753 6.840 5.066 1.00 0.00 C ATOM 1186 CD PRO A 82 8.752 5.872 5.634 1.00 0.00 C ATOM 0 HA PRO A 82 10.105 3.949 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.793 6.322 4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.713 6.185 3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.215 7.427 5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.267 7.544 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.341 6.220 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.910 5.714 4.960 1.00 0.00 H new ATOM 1194 N PRO A 83 11.944 2.568 4.696 1.00 0.00 N ATOM 1195 CA PRO A 83 13.159 1.798 4.936 1.00 0.00 C ATOM 1196 C PRO A 83 14.229 2.113 3.893 1.00 0.00 C ATOM 1197 O PRO A 83 15.416 2.227 4.206 1.00 0.00 O ATOM 1198 CB PRO A 83 12.684 0.348 4.822 1.00 0.00 C ATOM 1199 CG PRO A 83 11.510 0.392 3.898 1.00 0.00 C ATOM 1200 CD PRO A 83 10.912 1.775 3.999 1.00 0.00 C ATOM 0 HA PRO A 83 13.621 2.021 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.471 -0.295 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.404 -0.052 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.818 0.180 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.776 -0.365 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.692 2.186 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.975 1.764 4.556 1.00 0.00 H new ATOM 1208 N SER A 84 13.779 2.308 2.665 1.00 0.00 N ATOM 1209 CA SER A 84 14.649 2.674 1.565 1.00 0.00 C ATOM 1210 C SER A 84 14.572 4.180 1.316 1.00 0.00 C ATOM 1211 O SER A 84 13.527 4.800 1.529 1.00 0.00 O ATOM 1212 CB SER A 84 14.229 1.901 0.313 1.00 0.00 C ATOM 1213 OG SER A 84 13.040 1.158 0.551 1.00 0.00 O ATOM 0 H SER A 84 12.797 2.216 2.404 1.00 0.00 H new ATOM 0 HA SER A 84 15.680 2.420 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.070 2.596 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.030 1.226 0.011 1.00 0.00 H new ATOM 0 HG SER A 84 12.789 0.673 -0.263 1.00 0.00 H new ATOM 1219 N GLN A 85 15.681 4.770 0.897 1.00 0.00 N ATOM 1220 CA GLN A 85 15.737 6.207 0.653 1.00 0.00 C ATOM 1221 C GLN A 85 15.061 6.566 -0.666 1.00 0.00 C ATOM 1222 O GLN A 85 14.367 7.580 -0.761 1.00 0.00 O ATOM 1223 CB GLN A 85 17.188 6.692 0.650 1.00 0.00 C ATOM 1224 CG GLN A 85 17.485 7.729 1.722 1.00 0.00 C ATOM 1225 CD GLN A 85 16.701 9.014 1.524 1.00 0.00 C ATOM 1226 OE1 GLN A 85 16.635 9.552 0.419 1.00 0.00 O ATOM 1227 NE2 GLN A 85 16.107 9.517 2.593 1.00 0.00 N ATOM 0 H GLN A 85 16.556 4.277 0.718 1.00 0.00 H new ATOM 0 HA GLN A 85 15.199 6.706 1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.849 5.837 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 85 17.419 7.116 -0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.250 7.312 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.551 7.954 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.186 9.041 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.570 10.381 2.519 1.00 0.00 H new ATOM 1236 N ALA A 86 15.271 5.742 -1.683 1.00 0.00 N ATOM 1237 CA ALA A 86 14.691 5.990 -2.998 1.00 0.00 C ATOM 1238 C ALA A 86 13.181 5.790 -2.982 1.00 0.00 C ATOM 1239 O ALA A 86 12.456 6.375 -3.789 1.00 0.00 O ATOM 1240 CB ALA A 86 15.334 5.087 -4.038 1.00 0.00 C ATOM 0 H ALA A 86 15.838 4.896 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 86 14.889 7.029 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.891 5.283 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.405 5.285 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.168 4.044 -3.767 1.00 0.00 H new ATOM 1246 N VAL A 87 12.712 4.935 -2.081 1.00 0.00 N ATOM 1247 CA VAL A 87 11.294 4.628 -1.990 1.00 0.00 C ATOM 1248 C VAL A 87 10.496 5.809 -1.432 1.00 0.00 C ATOM 1249 O VAL A 87 9.301 5.942 -1.710 1.00 0.00 O ATOM 1250 CB VAL A 87 11.047 3.357 -1.141 1.00 0.00 C ATOM 1251 CG1 VAL A 87 10.857 3.679 0.335 1.00 0.00 C ATOM 1252 CG2 VAL A 87 9.852 2.596 -1.677 1.00 0.00 C ATOM 0 H VAL A 87 13.295 4.443 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 87 10.943 4.435 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 87 11.936 2.732 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.687 2.756 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.750 4.173 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.998 4.339 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.688 1.704 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.967 3.231 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.040 2.304 -2.710 1.00 0.00 H new ATOM 1262 N TYR A 88 11.163 6.688 -0.685 1.00 0.00 N ATOM 1263 CA TYR A 88 10.505 7.872 -0.141 1.00 0.00 C ATOM 1264 C TYR A 88 10.071 8.806 -1.267 1.00 0.00 C ATOM 1265 O TYR A 88 9.030 9.455 -1.188 1.00 0.00 O ATOM 1266 CB TYR A 88 11.425 8.617 0.837 1.00 0.00 C ATOM 1267 CG TYR A 88 10.774 9.844 1.444 1.00 0.00 C ATOM 1268 CD1 TYR A 88 9.856 9.723 2.477 1.00 0.00 C ATOM 1269 CD2 TYR A 88 11.061 11.119 0.969 1.00 0.00 C ATOM 1270 CE1 TYR A 88 9.234 10.833 3.015 1.00 0.00 C ATOM 1271 CE2 TYR A 88 10.449 12.235 1.508 1.00 0.00 C ATOM 1272 CZ TYR A 88 9.536 12.086 2.530 1.00 0.00 C ATOM 1273 OH TYR A 88 8.913 13.194 3.057 1.00 0.00 O ATOM 0 H TYR A 88 12.151 6.603 -0.445 1.00 0.00 H new ATOM 0 HA TYR A 88 9.622 7.542 0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.723 7.938 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.335 8.915 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.623 8.743 2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.773 11.239 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.514 10.719 3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 88 10.685 13.219 1.130 1.00 0.00 H new ATOM 0 HH TYR A 88 9.240 13.999 2.604 1.00 0.00 H new ATOM 1283 N GLU A 89 10.864 8.843 -2.325 1.00 0.00 N ATOM 1284 CA GLU A 89 10.555 9.668 -3.481 1.00 0.00 C ATOM 1285 C GLU A 89 9.423 9.046 -4.297 1.00 0.00 C ATOM 1286 O GLU A 89 8.811 9.710 -5.129 1.00 0.00 O ATOM 1287 CB GLU A 89 11.801 9.844 -4.354 1.00 0.00 C ATOM 1288 CG GLU A 89 13.073 10.099 -3.562 1.00 0.00 C ATOM 1289 CD GLU A 89 13.426 11.569 -3.491 1.00 0.00 C ATOM 1290 OE1 GLU A 89 12.541 12.383 -3.151 1.00 0.00 O ATOM 1291 OE2 GLU A 89 14.586 11.925 -3.779 1.00 0.00 O ATOM 0 H GLU A 89 11.729 8.309 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 89 10.230 10.647 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.936 8.950 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.638 10.675 -5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.953 9.708 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.898 9.552 -4.019 1.00 0.00 H new ATOM 1298 N VAL A 90 9.179 7.758 -4.082 1.00 0.00 N ATOM 1299 CA VAL A 90 8.161 7.036 -4.832 1.00 0.00 C ATOM 1300 C VAL A 90 6.777 7.182 -4.202 1.00 0.00 C ATOM 1301 O VAL A 90 5.802 7.464 -4.901 1.00 0.00 O ATOM 1302 CB VAL A 90 8.503 5.535 -4.954 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.455 4.814 -5.787 1.00 0.00 C ATOM 1304 CG2 VAL A 90 9.886 5.347 -5.560 1.00 0.00 C ATOM 0 H VAL A 90 9.674 7.192 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 90 8.144 7.482 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 90 8.505 5.103 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.713 3.758 -5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.479 4.916 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.420 5.250 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.108 4.283 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.912 5.796 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.630 5.827 -4.925 1.00 0.00 H new ATOM 1314 N PHE A 91 6.662 6.870 -2.911 1.00 0.00 N ATOM 1315 CA PHE A 91 5.349 6.838 -2.266 1.00 0.00 C ATOM 1316 C PHE A 91 4.859 8.224 -1.854 1.00 0.00 C ATOM 1317 O PHE A 91 3.808 8.347 -1.220 1.00 0.00 O ATOM 1318 CB PHE A 91 5.330 5.881 -1.065 1.00 0.00 C ATOM 1319 CG PHE A 91 6.330 6.168 0.024 1.00 0.00 C ATOM 1320 CD1 PHE A 91 6.416 7.420 0.616 1.00 0.00 C ATOM 1321 CD2 PHE A 91 7.170 5.164 0.473 1.00 0.00 C ATOM 1322 CE1 PHE A 91 7.320 7.661 1.627 1.00 0.00 C ATOM 1323 CE2 PHE A 91 8.071 5.402 1.488 1.00 0.00 C ATOM 1324 CZ PHE A 91 8.148 6.651 2.063 1.00 0.00 C ATOM 0 H PHE A 91 7.446 6.640 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 91 4.655 6.461 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.332 5.898 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.501 4.868 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.767 8.215 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.119 4.184 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.379 8.641 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.717 4.608 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.857 6.838 2.855 1.00 0.00 H new ATOM 1334 N LYS A 92 5.556 9.263 -2.299 1.00 0.00 N ATOM 1335 CA LYS A 92 5.108 10.629 -2.061 1.00 0.00 C ATOM 1336 C LYS A 92 3.754 10.838 -2.726 1.00 0.00 C ATOM 1337 O LYS A 92 2.876 11.515 -2.191 1.00 0.00 O ATOM 1338 CB LYS A 92 6.131 11.627 -2.602 1.00 0.00 C ATOM 1339 CG LYS A 92 7.076 12.158 -1.536 1.00 0.00 C ATOM 1340 CD LYS A 92 7.901 13.325 -2.052 1.00 0.00 C ATOM 1341 CE LYS A 92 9.390 13.083 -1.871 1.00 0.00 C ATOM 1342 NZ LYS A 92 10.182 13.580 -3.026 1.00 0.00 N ATOM 0 H LYS A 92 6.428 9.187 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 92 5.009 10.794 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.714 11.148 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.604 12.464 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.502 12.474 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.740 11.359 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.684 13.485 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.613 14.235 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.729 13.577 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.570 12.016 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.178 13.305 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.810 13.167 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.113 14.617 -3.074 1.00 0.00 H new ATOM 1356 N ASN A 93 3.557 10.108 -3.814 1.00 0.00 N ATOM 1357 CA ASN A 93 2.276 10.034 -4.491 1.00 0.00 C ATOM 1358 C ASN A 93 2.254 8.784 -5.353 1.00 0.00 C ATOM 1359 O ASN A 93 2.413 8.858 -6.573 1.00 0.00 O ATOM 1360 CB ASN A 93 2.034 11.271 -5.357 1.00 0.00 C ATOM 1361 CG ASN A 93 0.556 11.567 -5.542 1.00 0.00 C ATOM 1362 OD1 ASN A 93 -0.167 11.804 -4.578 1.00 0.00 O ATOM 1363 ND2 ASN A 93 0.097 11.557 -6.784 1.00 0.00 N ATOM 0 H ASN A 93 4.288 9.548 -4.253 1.00 0.00 H new ATOM 0 HA ASN A 93 1.482 9.993 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.520 12.133 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.498 11.125 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.888 11.751 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.728 11.356 -7.559 1.00 0.00 H new ATOM 1370 N ALA A 94 2.151 7.634 -4.700 1.00 0.00 N ATOM 1371 CA ALA A 94 2.209 6.350 -5.389 1.00 0.00 C ATOM 1372 C ALA A 94 0.868 5.632 -5.316 1.00 0.00 C ATOM 1373 O ALA A 94 0.625 4.838 -4.409 1.00 0.00 O ATOM 1374 CB ALA A 94 3.305 5.476 -4.799 1.00 0.00 C ATOM 0 H ALA A 94 2.026 7.563 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 94 2.439 6.541 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.333 4.522 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.267 5.978 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.102 5.301 -3.743 1.00 0.00 H new ATOM 1380 N PRO A 95 -0.047 5.954 -6.233 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.396 5.398 -6.241 1.00 0.00 C ATOM 1382 C PRO A 95 -1.404 3.946 -6.699 1.00 0.00 C ATOM 1383 O PRO A 95 -1.075 3.638 -7.848 1.00 0.00 O ATOM 1384 CB PRO A 95 -2.147 6.308 -7.231 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.262 7.499 -7.378 1.00 0.00 C ATOM 1386 CD PRO A 95 0.119 6.941 -7.299 1.00 0.00 C ATOM 0 HA PRO A 95 -1.852 5.379 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.306 5.810 -8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.129 6.587 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.432 8.007 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.442 8.229 -6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.436 6.487 -8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.858 7.701 -7.047 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.696 3.055 -5.766 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.657 1.627 -6.027 1.00 0.00 C ATOM 1396 C LEU A 96 -3.045 1.100 -6.361 1.00 0.00 C ATOM 1397 O LEU A 96 -4.049 1.609 -5.865 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.101 0.888 -4.807 1.00 0.00 C ATOM 1399 CG LEU A 96 0.248 0.197 -5.019 1.00 0.00 C ATOM 1400 CD1 LEU A 96 1.384 1.098 -4.557 1.00 0.00 C ATOM 1401 CD2 LEU A 96 0.286 -1.134 -4.282 1.00 0.00 C ATOM 0 H LEU A 96 -1.965 3.299 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.006 1.452 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.001 1.599 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.829 0.139 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 96 0.374 0.003 -6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.337 0.592 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.367 2.026 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.263 1.322 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.252 -1.612 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.139 -0.964 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.506 -1.781 -4.658 1.00 0.00 H new ATOM 1413 N ASP A 97 -3.089 0.039 -7.148 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.346 -0.610 -7.489 1.00 0.00 C ATOM 1415 C ASP A 97 -4.487 -1.895 -6.684 1.00 0.00 C ATOM 1416 O ASP A 97 -3.832 -2.899 -6.976 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.397 -0.914 -8.988 1.00 0.00 C ATOM 1418 CG ASP A 97 -5.667 -1.635 -9.398 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -6.724 -0.980 -9.494 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.604 -2.857 -9.648 1.00 0.00 O ATOM 0 H ASP A 97 -2.265 -0.394 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.172 0.058 -7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.318 0.019 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.535 -1.523 -9.260 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.277 -1.834 -5.623 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.433 -2.965 -4.724 1.00 0.00 C ATOM 1427 C PHE A 98 -6.520 -3.909 -5.210 1.00 0.00 C ATOM 1428 O PHE A 98 -7.615 -3.485 -5.580 1.00 0.00 O ATOM 1429 CB PHE A 98 -5.753 -2.490 -3.305 1.00 0.00 C ATOM 1430 CG PHE A 98 -5.205 -3.394 -2.237 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -3.854 -3.386 -1.933 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -6.042 -4.252 -1.540 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -3.346 -4.219 -0.955 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -5.539 -5.088 -0.562 1.00 0.00 C ATOM 1435 CZ PHE A 98 -4.190 -5.069 -0.267 1.00 0.00 C ATOM 0 H PHE A 98 -5.821 -1.011 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.487 -3.506 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.349 -1.487 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.834 -2.417 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.190 -2.721 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.098 -4.267 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.290 -4.206 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.200 -5.755 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.795 -5.718 0.501 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.218 -5.196 -5.170 1.00 0.00 N ATOM 1446 CA LYS A 99 -7.167 -6.220 -5.564 1.00 0.00 C ATOM 1447 C LYS A 99 -7.299 -7.251 -4.454 1.00 0.00 C ATOM 1448 O LYS A 99 -6.313 -7.553 -3.769 1.00 0.00 O ATOM 1449 CB LYS A 99 -6.719 -6.910 -6.857 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.035 -5.985 -7.849 1.00 0.00 C ATOM 1451 CD LYS A 99 -4.568 -6.332 -8.007 1.00 0.00 C ATOM 1452 CE LYS A 99 -4.083 -6.049 -9.415 1.00 0.00 C ATOM 1453 NZ LYS A 99 -3.681 -4.630 -9.586 1.00 0.00 N ATOM 0 H LYS A 99 -5.314 -5.557 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.132 -5.746 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.038 -7.723 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.589 -7.360 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.533 -6.054 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.132 -4.953 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.977 -5.757 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.414 -7.385 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.237 -6.697 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.872 -6.291 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.895 -4.571 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.489 -4.081 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.378 -4.242 -8.670 1.00 0.00 H new ATOM 1467 N PRO A 100 -8.520 -7.780 -4.258 1.00 0.00 N ATOM 1468 CA PRO A 100 -8.828 -8.787 -3.225 1.00 0.00 C ATOM 1469 C PRO A 100 -7.795 -9.908 -3.192 1.00 0.00 C ATOM 1470 O PRO A 100 -7.693 -10.701 -4.131 1.00 0.00 O ATOM 1471 CB PRO A 100 -10.194 -9.316 -3.667 1.00 0.00 C ATOM 1472 CG PRO A 100 -10.820 -8.156 -4.348 1.00 0.00 C ATOM 1473 CD PRO A 100 -9.715 -7.415 -5.034 1.00 0.00 C ATOM 0 HA PRO A 100 -8.821 -8.372 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.094 -10.168 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.788 -9.649 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.569 -8.487 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.330 -7.514 -3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.621 -7.712 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.887 -6.339 -5.023 1.00 0.00 H new